A0A3Q0KPP4_SCHMA Loading...

Dephospho-CoA kinase

AlphaFold DB (A0A5K4ERN5), UniProt , Accession A0A3Q0KPP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 558 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
1M84.6Confident91.4Very high152 Ų15232.1 Ų32.175%0.74916%0.157SC*.  0130.20-119.6-177.7-114.300108.9N30M1-N30 HydrophobicContact CB-CB 4.48Å; M1-N30 HydrophobicContact CG-CB 4.46Å; M1-N30 HydrophobicContact SD-CB 3.92Å
2Y92.2Very high90.3Very high75 Ų7541.8 Ų41.829%0.29420%0.201SC..EExtended strand (participates in β ladder)trans-79.3149.9177-63.4-75.9000110.4V28 V29 N30 D84 I85Y2-V28 HydrophobicContact CD2-CG1 3.69Å; Y2-V28 HydrophobicContact CE2-CG1 4.13Å; Y2-V28 PolarHBondContact N-O 3.34Å; Y2-V29 WeakPolarHBondContact O-CA 3.37Å; Y2-N30 PolarHBondContact O-N 3.33Å; Y2-D84 HydrophobicContact CD1-CB 3.78Å; Y2-D84 HydrophobicContact CG-CB 4.26Å; Y2-I85 HydrophobicContact CD1-CB 4.37Å; Y2-I85 HydrophobicContact CD2-CB 4.08Å; Y2-I85 HydrophobicContact CD2-CD1 3.71Å; Y2-I85 HydrophobicContact CD2-CG2 3.9Å; Y2-I85 HydrophobicContact CE2-CB 4.35Å; Y2-I85 HydrophobicContact CE2-CD1 3.47Å; Y2-I85 VanDerWaalsContact CE2-CD1 3.47Å; Y2-I85 HydrophobicContact CE2-CG1 4.45Å; Y2-I85 HydrophobicContact CG-CB 4.07Å; Y2-I85 HydrophobicContact CG-CG2 3.84Å
3Q93.7Very high88.8Confident79 Ų7940.3 Ų40.337%0.36920%0.196SC..EExtended strand (participates in β ladder)trans-78.2-37.8-179.6-59.7-62.8-58.700110.3K31 K32 D84Q3-K31 HydrophobicContact CB-CD 4.4Å; Q3-K31 WeakPolarHBondContact O-CA 3.4Å; Q3-K31 WeakPolarHBondContact O-CB 3.25Å; Q3-K31 PolarHBondContact O-N 3.08Å; Q3-K32 PolarHBondContact O-N 3.16Å; Q3-D84 WeakPolarHBondContact CA-OD2 3.42Å; Q3-D84 VanDerWaalsContact CB-OD2 3.31Å; Q3-D84 WeakPolarHBondContact CB-OD2 3Å; Q3-D84 PolarHBondContact N-OD2 2.93Å
4S94.6Very high88.2Confident5 Ų547.4 Ų47.44%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-140150.1-173.357.60000111.6K32 K82 D84S4-K32 CarbonylContact C-O 3.57Å; S4-K32 WeakPolarHBondContact CA-O 3.46Å; S4-K82 PolarHBondContact OG-O 2.98Å; S4-D84 PolarHBondContact N-OD2 3.31Å; S4-D84 WeakPolarHBondContact O-CB 3.47Å; S4-D84 PolarHBondContact O-N 2.96Å; S4-D84 VanDerWaalsContact O-N 3.15Å; S4-D84 VanDerWaalsContact OG-CG 3.3Å; S4-D84 PolarHBondContact OG-N 3.36Å; S4-D84 PolarHBondContact OG-OD2 3.35Å
5G95.1Very high87.7Confident0 Ų048.1 Ų48.10%024%0.24CC..EExtended strand (participates in β ladder)trans-154.7165.8173.800000113.8K32 L33 F34 I85G5-K32 PolarHBondContact N-O 3.33Å; G5-L33 CarbonylContact O-C 3.57Å; G5-L33 WeakPolarHBondContact O-CA 3.37Å; G5-F34 PolarHBondContact O-N 3.1Å; G5-I85 CarbonylContact C-O 3.6Å; G5-I85 WeakPolarHBondContact CA-O 3.2Å
6L95.6Very high87.5Confident0 Ų049.1 Ų49.10%024%0.244CC..EExtended strand (participates in β ladder)trans-113.4125.8172.7173.266.7000108.8I8 F34 A36 L70 F83 I85 V86 I87 A102 I105L6-I8 HydrophobicContact CD2-CD1 4.41Å; L6-I8 HydrophobicContact CD2-CG1 4.17Å; L6-I8 HydrophobicContact CG-CG1 4.17Å; L6-F34 CarbonylContact C-O 3.59Å; L6-F34 WeakPolarHBondContact CA-O 3.33Å; L6-F34 HydrophobicContact CD1-CB 3.76Å; L6-A36 HydrophobicContact CD1-CB 3.9Å; L6-L70 HydrophobicContact CD1-CD1 4.16Å; L6-F83 HydrophobicContact CB-CD1 4.31Å; L6-F83 HydrophobicContact CB-CD2 3.96Å; L6-F83 HydrophobicContact CB-CE1 4.45Å; L6-F83 HydrophobicContact CB-CE2 4.09Å; L6-F83 HydrophobicContact CB-CG 4.08Å; L6-F83 HydrophobicContact CB-CZ 4.32Å; L6-F83 HydrophobicContact CD1-CZ 4.44Å; L6-F83 HydrophobicContact CD2-CD2 4.17Å; L6-F83 HydrophobicContact CD2-CE2 3.81Å; L6-F83 HydrophobicContact CD2-CZ 4.44Å; L6-F83 HydrophobicContact CG-CE2 4.38Å; L6-I85 PolarHBondContact N-O 2.78Å; L6-V86 HydrophobicContact CB-CG2 4.03Å; L6-V86 HydrophobicContact CD2-CG2 4.14Å; L6-V86 CarbonylContact O-C 3.53Å; L6-V86 WeakPolarHBondContact O-CA 3.44Å; L6-I87 PolarHBondContact O-N 3.1Å; L6-A102 HydrophobicContact CD2-CB 4.05Å; L6-I105 HydrophobicContact CD1-CD1 4.37Å; L6-I105 HydrophobicContact CD2-CD1 3.89Å
7L95.1Very high87.3Confident0 Ų047.7 Ų47.70%024%0.236CC..EExtended strand (participates in β ladder)trans-105.8115.1170.5173.464000108.8L9 L21 L22 V25 L33 F34 L35 A36 I87L7-L9 HydrophobicContact CD1-CD2 4.21Å; L7-L9 HydrophobicContact CD2-CD2 3.83Å; L7-L9 HydrophobicContact CD2-CG 4.3Å; L7-L9 HydrophobicContact CG-CD2 3.79Å; L7-L9 HydrophobicContact CG-CG 4.02Å; L7-L21 HydrophobicContact CD2-CB 4.26Å; L7-L22 HydrophobicContact CD2-CD2 4.3Å; L7-V25 HydrophobicContact CD1-CG2 4.45Å; L7-V25 HydrophobicContact CD2-CG2 4.05Å; L7-L33 HydrophobicContact CB-CD1 3.95Å; L7-F34 PolarHBondContact N-O 2.95Å; L7-L35 HydrophobicContact CB-CD2 3.81Å; L7-L35 HydrophobicContact CD2-CD2 3.82Å; L7-L35 HydrophobicContact CG-CD2 4.17Å; L7-L35 WeakPolarHBondContact O-CA 3.46Å; L7-A36 PolarHBondContact O-N 3.16Å; L7-I87 WeakPolarHBondContact CA-O 3.46Å; L7-I87 HydrophobicContact CD1-CB 4.02Å; L7-I87 HydrophobicContact CD1-CG2 3.84Å
8I93.1Very high87.5Confident1 Ų145.1 Ų45.11%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-88.7129.2174.1-56.7-172.9000108.5L6 A36 V86 I87 P89 F93 W97 I98 E101L6-I8 HydrophobicContact CD2-CD1 4.41Å; L6-I8 HydrophobicContact CD2-CG1 4.17Å; L6-I8 HydrophobicContact CG-CG1 4.17Å; I8-A36 HydrophobicContact CG1-CB 4.45Å; I8-V86 HydrophobicContact CD1-CG1 4.17Å; I8-V86 HydrophobicContact CG1-CG1 4.28Å; I8-I87 PolarHBondContact N-O 3.24Å; I8-P89 WeakPolarHBondContact O-CD 3.5Å; I8-F93 HydrophobicContact CG2-CD2 4.04Å; I8-F93 HydrophobicContact CG2-CE2 3.77Å; I8-F93 HydrophobicContact CG2-CZ 4.14Å; I8-W97 HydrophobicContact CD1-CZ3 4.18Å; I8-W97 HydrophobicContact CG2-CH2 4.31Å; I8-W97 HydrophobicContact CG2-CZ3 3.87Å; I8-I98 HydrophobicContact CD1-CB 4.39Å; I8-I98 HydrophobicContact CD1-CG1 4.45Å; I8-I98 HydrophobicContact CD1-CG2 3.96Å; I8-E101 HydrophobicContact CD1-CB 4.27Å; I8-E101 HydrophobicContact CD1-CG 4.24Å
9L91.3Very high87.7Confident0 Ų044.9 Ų44.90%022%0.221CC..  trans-123.5139.2-173.6-70.1179.5000109.9L7 V13 L18 L21 L35 A36 I37 P38L7-L9 HydrophobicContact CD1-CD2 4.21Å; L7-L9 HydrophobicContact CD2-CD2 3.83Å; L7-L9 HydrophobicContact CD2-CG 4.3Å; L7-L9 HydrophobicContact CG-CD2 3.79Å; L7-L9 HydrophobicContact CG-CG 4.02Å; L9-V13 HydrophobicContact CB-CG2 3.82Å; L9-V13 HydrophobicContact CD1-CG2 4.49Å; L9-V13 HydrophobicContact CD2-CG2 4.21Å; L9-V13 HydrophobicContact CG-CG2 4.4Å; L9-L18 HydrophobicContact CD1-CD1 3.84Å; L9-L18 HydrophobicContact CD2-CD1 4.31Å; L9-L21 HydrophobicContact CD2-CD1 3.53Å; L9-L35 HydrophobicContact CD1-CB 4.44Å; L9-L35 HydrophobicContact CD1-CD1 4.45Å; L9-L35 HydrophobicContact CD1-CD2 4.41Å; L9-A36 PolarHBondContact N-O 3.48Å; L9-I37 HydrophobicContact CB-CG1 3.8Å; L9-I37 HydrophobicContact CD1-CG1 4.37Å; L9-P38 WeakPolarHBondContact O-CD 3.42Å
10S86.6Confident87.7Confident8 Ų844.6 Ų44.66%0.05622%0.223CC..  trans-68.3156.3170.961.70000112.8H12 V13 K17 E92S10-H12 PolarHBondContact O-N 3.41Å; S10-H12 VanDerWaalsContact O-N 3.11Å; S10-V13 WeakPolarHBondContact O-CG2 3.26Å; S10-V13 PolarHBondContact O-N 2.76Å; S10-K17 PolarHBondContact OG-NZ 2.98Å; S10-K17 VanDerWaalsContact OG-NZ 3.1Å; S10-E92 VanDerWaalsContact CB-CD 3.48Å; S10-E92 WeakPolarHBondContact CB-OE1 3.44Å; S10-E92 VanDerWaalsContact CB-OE2 3.23Å; S10-E92 WeakPolarHBondContact CB-OE2 3.43Å; S10-E92 PolarHBondContact OG-OE1 3.49Å; S10-E92 PolarHBondContact OG-OE2 3.23Å
11P84.2Confident87.9Confident33 Ų3342.7 Ų42.721%0.21421%0.214CC..THydrogen-bonded Turntrans-60.7-19175.2-26.236.1000114.4V13 I37 P38 Q39 F46P11-V13 VanDerWaalsContact C-N 3.31Å; P11-V13 PolarHBondContact O-N 3.43Å; P11-I37 HydrophobicContact CB-CG2 4.47Å; P11-I37 HydrophobicContact CG-CG2 4.33Å; P11-P38 WeakPolarHBondContact CG-O 3.39Å; P11-Q39 HydrophobicContact CB-CB 4.41Å; P11-Q39 HydrophobicContact CG-CB 4.23Å; P11-F46 HydrophobicContact CB-CZ 4.5Å; P11-F46 WeakPolarHBondContact O-CE2 3.42Å
12H77.6Confident88.3Confident148 Ų14835.4 Ų35.469%0.68518%0.178SC*.THydrogen-bonded Turntrans-90.631.1-178.4-56.5-63.7000113.9S10 H14S10-H12 PolarHBondContact O-N 3.41Å; S10-H12 VanDerWaalsContact O-N 3.11Å; H12-H14 PolarHBondContact O-CD2 2.97Å; H12-H14 PolarHBondContact O-N 3.26Å
13V70.9Confident88.2Confident23 Ų2335.9 Ų35.914%0.13918%0.181CC..  trans-74.9112.9-176.9173.70000111.7L9 S10 P11 L18L9-V13 HydrophobicContact CB-CG2 3.82Å; L9-V13 HydrophobicContact CD1-CG2 4.49Å; L9-V13 HydrophobicContact CD2-CG2 4.21Å; L9-V13 HydrophobicContact CG-CG2 4.4Å; S10-V13 WeakPolarHBondContact O-CG2 3.26Å; S10-V13 PolarHBondContact O-N 2.76Å; P11-V13 VanDerWaalsContact C-N 3.31Å; P11-V13 PolarHBondContact O-N 3.43Å; V13-L18 HydrophobicContact CG1-CB 3.63Å; V13-L18 HydrophobicContact CG1-CD1 4.26Å; V13-L18 HydrophobicContact CG1-CD2 4.34Å; V13-L18 HydrophobicContact CG1-CG 4.29Å
14H80.7Confident88.1Confident140 Ų14036 Ų3665%0.64818%0.179SC*.  trans-92.4161.7168-60-67.1000111.9H12 Q16 K17 L18H12-H14 PolarHBondContact O-CD2 2.97Å; H12-H14 PolarHBondContact O-N 3.26Å; H14-Q16 VanDerWaalsContact C-N 3.34Å; H14-Q16 PolarHBondContact O-N 3.46Å; H14-K17 PolarHBondContact O-N 3.5Å; H14-L18 PolarHBondContact O-N 3.25Å
15S80.8Confident88Confident58 Ų5835.8 Ų35.841%0.40618%0.178SC..Hα-helixtrans-53.5-44.4-174.456.60000113.9L18 F19S15-L18 PolarHBondContact O-N 3.45Å; S15-F19 VanDerWaalsContact O-CB 3.26Å; S15-F19 WeakPolarHBondContact O-CB 3.37Å; S15-F19 PolarHBondContact O-N 2.69Å
16Q83.3Confident87.8Confident64 Ų6440.6 Ų40.630%0.29920%0.198SC..Hα-helixtrans-64.1-47.4-179.9-69.4176.3-15.600112.3H14 L18 F19 S20 F121H14-Q16 VanDerWaalsContact C-N 3.34Å; H14-Q16 PolarHBondContact O-N 3.46Å; Q16-L18 PolarHBondContact O-N 3.41Å; Q16-F19 WeakPolarHBondContact O-CB 3.38Å; Q16-F19 PolarHBondContact O-N 3.34Å; Q16-S20 PolarHBondContact O-N 3.12Å; Q16-S20 PolarHBondContact O-OG 3.13Å; Q16-F121 HydrophobicContact CB-CD1 4.34Å; Q16-F121 HydrophobicContact CB-CE1 4.2Å
17K85.4Confident87.6Confident25 Ų2546.2 Ų46.211%0.10923%0.229CC..Hα-helixtrans-61.6-45.6178.2-176.7-178.8173.5-158.90111.1S10 H14 F19 S20 L21 E92 I118S10-K17 PolarHBondContact OG-NZ 2.98Å; S10-K17 VanDerWaalsContact OG-NZ 3.1Å; H14-K17 PolarHBondContact O-N 3.5Å; K17-F19 VanDerWaalsContact C-N 3.29Å; K17-F19 PolarHBondContact O-N 2.69Å; K17-S20 PolarHBondContact O-N 3.36Å; K17-L21 HydrophobicContact CG-CD1 4.17Å; K17-L21 WeakPolarHBondContact O-CG 3.42Å; K17-L21 PolarHBondContact O-N 3.41Å; K17-E92 IonicContact NZ-OE1 2.67Å; K17-E92 PolarHBondContact NZ-OE1 3.15Å; K17-E92 IonicContact NZ-OE2 3.42Å; K17-E92 PolarHBondContact NZ-OE2 3.15Å; K17-I118 HydrophobicContact CD-CD1 4.21Å; K17-I118 HydrophobicContact CG-CD1 4.14Å
18L90.6Very high87.4Confident0 Ų047.3 Ų47.30%024%0.235CC..Hα-helixtrans-61.3-40.6176.9-174.857.2000111.9L9 V13 H14 S15 Q16 L21 L22 L53 T57L9-L18 HydrophobicContact CD1-CD1 3.84Å; L9-L18 HydrophobicContact CD2-CD1 4.31Å; V13-L18 HydrophobicContact CG1-CB 3.63Å; V13-L18 HydrophobicContact CG1-CD1 4.26Å; V13-L18 HydrophobicContact CG1-CD2 4.34Å; V13-L18 HydrophobicContact CG1-CG 4.29Å; H14-L18 PolarHBondContact O-N 3.25Å; S15-L18 PolarHBondContact O-N 3.45Å; Q16-L18 PolarHBondContact O-N 3.41Å; L18-L21 PolarHBondContact O-N 2.77Å; L18-L22 HydrophobicContact CD1-CD1 3.96Å; L18-L22 HydrophobicContact CD1-CG 4.02Å; L18-L22 HydrophobicContact CD2-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 3.85Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 2.97Å; L18-L22 PolarHBondContact O-N 3.21Å; L18-L53 HydrophobicContact CD2-CG 4.1Å; L18-T57 HydrophobicContact CB-CG2 4.46Å; L18-T57 HydrophobicContact CD2-CG2 4.29Å; L18-T57 HydrophobicContact CG-CG2 4.09Å
19F90.1Very high87.5Confident43 Ų4347.4 Ų47.419%0.18924%0.236CC..Hα-helixtrans-60.5-47.7178.3-177.9-89.4000111.7S15 Q16 K17 L22 K23 T57 V61 L125S15-F19 VanDerWaalsContact O-CB 3.26Å; S15-F19 WeakPolarHBondContact O-CB 3.37Å; S15-F19 PolarHBondContact O-N 2.69Å; Q16-F19 WeakPolarHBondContact O-CB 3.38Å; Q16-F19 PolarHBondContact O-N 3.34Å; K17-F19 VanDerWaalsContact C-N 3.29Å; K17-F19 PolarHBondContact O-N 2.69Å; F19-L22 PolarHBondContact O-N 3.33Å; F19-K23 HydrophobicContact CD1-CD 4.06Å; F19-K23 HydrophobicContact CD1-CG 4.43Å; F19-K23 HydrophobicContact CE1-CD 3.63Å; F19-K23 HydrophobicContact CE1-CG 4.19Å; F19-K23 HydrophobicContact CZ-CD 4.37Å; F19-K23 PolarHBondContact O-N 3.5Å; F19-T57 HydrophobicContact CB-CG2 4.02Å; F19-T57 HydrophobicContact CD2-CG2 4.25Å; F19-V61 HydrophobicContact CD2-CG2 3.15Å; F19-V61 HydrophobicContact CE2-CG2 3.35Å; F19-V61 HydrophobicContact CG-CG2 3.89Å; F19-V61 HydrophobicContact CZ-CG2 4.21Å; F19-L125 HydrophobicContact CD1-CD1 3.88Å; F19-L125 HydrophobicContact CD2-CD1 3.78Å; F19-L125 HydrophobicContact CE1-CD1 3.88Å; F19-L125 HydrophobicContact CE2-CD1 3.84Å; F19-L125 HydrophobicContact CG-CD1 3.82Å; F19-L125 HydrophobicContact CZ-CD1 3.89Å
20S89.3Confident87.5Confident38 Ų3851.2 Ų51.227%0.26626%0.256SS..Hα-helixtrans-63-43.4176.7-60.90000112.5Q16 K17 L22 K23 Y24Q16-S20 PolarHBondContact O-N 3.12Å; Q16-S20 PolarHBondContact O-OG 3.13Å; K17-S20 PolarHBondContact O-N 3.36Å; S20-L22 PolarHBondContact O-N 3.47Å; S20-K23 WeakPolarHBondContact O-CB 3.5Å; S20-K23 PolarHBondContact O-N 3Å; S20-Y24 PolarHBondContact O-N 3.45Å
21L90.7Very high87.9Confident4 Ų457 Ų572%0.02128%0.28CS..Hα-helixtrans-62.6-43.6176.8-71.4171.3000111.9L7 L9 K17 L18 K23 Y24 V25 P89 A116L7-L21 HydrophobicContact CD2-CB 4.26Å; L9-L21 HydrophobicContact CD2-CD1 3.53Å; K17-L21 HydrophobicContact CG-CD1 4.17Å; K17-L21 WeakPolarHBondContact O-CG 3.42Å; K17-L21 PolarHBondContact O-N 3.41Å; L18-L21 PolarHBondContact O-N 2.77Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 2.98Å; L21-Y24 WeakPolarHBondContact O-CB 3.44Å; L21-Y24 PolarHBondContact O-N 3.18Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 2.93Å; L21-P89 HydrophobicContact CD1-CG 4.07Å; L21-P89 HydrophobicContact CD2-CG 4.25Å; L21-A116 HydrophobicContact CD2-CB 3.76Å
22L92.7Very high88.4Confident0 Ų056 Ų560%027%0.273CS..Hα-helixtrans-69.1-31.5177.4-69.1175.3000112.4L7 L18 F19 S20 Y24 V25 K26 L33 T57 A58 V61L7-L22 HydrophobicContact CD2-CD2 4.3Å; L18-L22 HydrophobicContact CD1-CD1 3.96Å; L18-L22 HydrophobicContact CD1-CG 4.02Å; L18-L22 HydrophobicContact CD2-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 3.85Å; L18-L22 HydrophobicContact CG-CG 4.31Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 2.97Å; L18-L22 PolarHBondContact O-N 3.21Å; F19-L22 PolarHBondContact O-N 3.33Å; S20-L22 PolarHBondContact O-N 3.47Å; L22-Y24 VanDerWaalsContact C-N 3.34Å; L22-V25 PolarHBondContact O-N 3.01Å; L22-K26 WeakPolarHBondContact O-CB 3.5Å; L22-K26 PolarHBondContact O-N 3.11Å; L22-L33 HydrophobicContact CD2-CD2 3.68Å; L22-T57 HydrophobicContact CD1-CG2 3.88Å; L22-A58 HydrophobicContact CD1-CB 4.2Å; L22-V61 HydrophobicContact CB-CB 4.13Å; L22-V61 HydrophobicContact CB-CG1 3.85Å
23K91.5Very high89.3Confident85 Ų8549 Ų4937%0.3724%0.24SC..Hα-helixtrans-60.8-45.2171.2-92.4-176164.71800110.2F19 S20 L21 V61 E122F19-K23 HydrophobicContact CD1-CD 4.06Å; F19-K23 HydrophobicContact CD1-CG 4.43Å; F19-K23 HydrophobicContact CE1-CD 3.63Å; F19-K23 HydrophobicContact CE1-CG 4.19Å; F19-K23 HydrophobicContact CZ-CD 4.37Å; F19-K23 PolarHBondContact O-N 3.5Å; S20-K23 WeakPolarHBondContact O-CB 3.5Å; S20-K23 PolarHBondContact O-N 3Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 2.98Å; K23-V61 HydrophobicContact CB-CG1 4.28Å; K23-V61 HydrophobicContact CG-CG1 3.84Å; K23-E122 IonicContact NZ-OE2 3.27Å; K23-E122 PolarHBondContact NZ-OE2 3.21Å; K23-E122 VanDerWaalsContact NZ-OE2 3.07Å
24Y90.8Very high90.6Very high82 Ų8247.9 Ų47.932%0.32223%0.233SC..Hα-helixtrans-62.1-52.3174.7179.8-90.8000111.3S20 L21 L22 K26 N27 V28 I87 I114 A116S20-Y24 PolarHBondContact O-N 3.45Å; L21-Y24 WeakPolarHBondContact O-CB 3.44Å; L21-Y24 PolarHBondContact O-N 3.18Å; L22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-K26 VanDerWaalsContact C-N 3.29Å; Y24-K26 PolarHBondContact O-N 2.89Å; Y24-N27 PolarHBondContact O-N 3.44Å; Y24-V28 HydrophobicContact CD1-CG2 4.31Å; Y24-V28 HydrophobicContact CE1-CG2 3.89Å; Y24-I87 HydrophobicContact CD1-CG2 4.4Å; Y24-I87 HydrophobicContact CE1-CG2 4.28Å; Y24-I114 HydrophobicContact CE1-CG2 4.5Å; Y24-I114 VanDerWaalsContact OH-CG2 3.25Å; Y24-I114 WeakPolarHBondContact OH-CG2 3.34Å; Y24-A116 HydrophobicContact CD1-CB 4.01Å; Y24-A116 HydrophobicContact CE1-CB 4.16Å; Y24-A116 HydrophobicContact CG-CB 4.36Å
25V92.2Very high91.3Very high0 Ų041.2 Ų41.20%020%0.203CC..Hα-helixtrans-60.6-36.5-176.6175.10000112.4L7 L21 L22 N27 V28 V29 L33 L65 I87L7-V25 HydrophobicContact CD1-CG2 4.45Å; L7-V25 HydrophobicContact CD2-CG2 4.05Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 2.93Å; L22-V25 PolarHBondContact O-N 3.01Å; V25-N27 PolarHBondContact O-N 3.07Å; V25-N27 VanDerWaalsContact O-N 3.14Å; V25-V28 PolarHBondContact O-N 2.98Å; V25-V29 HydrophobicContact CG1-CB 4.05Å; V25-V29 HydrophobicContact CG1-CG2 3.92Å; V25-V29 PolarHBondContact O-N 3.46Å; V25-L33 HydrophobicContact CB-CD2 4.49Å; V25-L33 HydrophobicContact CG1-CD1 3.65Å; V25-L33 HydrophobicContact CG1-CD2 3.66Å; V25-L33 HydrophobicContact CG1-CG 4.2Å; V25-L65 HydrophobicContact CG1-CD2 4.24Å; V25-I87 HydrophobicContact CB-CD1 4.34Å; V25-I87 HydrophobicContact CG1-CD1 4.21Å; V25-I87 HydrophobicContact CG2-CD1 3.71Å; V25-I87 HydrophobicContact CG2-CG2 4.43Å
26K91.1Very high91.9Very high100 Ų10038.7 Ų38.744%0.43519%0.185SC..Hα-helixtrans-53.5-32.4176-179-172.8-179.3172.60113.2L22 Y24 V28 V61 C62L22-K26 WeakPolarHBondContact O-CB 3.5Å; L22-K26 PolarHBondContact O-N 3.11Å; Y24-K26 VanDerWaalsContact C-N 3.29Å; Y24-K26 PolarHBondContact O-N 2.89Å; K26-V28 VanDerWaalsContact C-N 3.35Å; K26-V61 WeakPolarHBondContact CD-O 2.87Å; K26-V61 PolarHBondContact NZ-O 3.3Å; K26-C62 HydrophobicContact CB-CB 4.16Å; K26-C62 HydrophobicContact CG-CB 4.22Å
27N91.7Very high92.3Very high119 Ų11936.2 Ų36.264%0.63617%0.174SC*.Hα-helixtrans-85.1-11.9-179.9-63.8-31.1000112.9Y24 V25Y24-N27 PolarHBondContact O-N 3.44Å; V25-N27 PolarHBondContact O-N 3.07Å; V25-N27 VanDerWaalsContact O-N 3.14Å
28V91.8Very high92.4Very high22 Ų2237.1 Ų37.113%0.13318%0.182CC..Hα-helixtrans-109.7-39.3-172.2179.90000111.8Y2 Y24 V25 K26 I85 I87Y2-V28 HydrophobicContact CD2-CG1 3.69Å; Y2-V28 HydrophobicContact CE2-CG1 4.13Å; Y2-V28 PolarHBondContact N-O 3.34Å; Y24-V28 HydrophobicContact CD1-CG2 4.31Å; Y24-V28 HydrophobicContact CE1-CG2 3.89Å; V25-V28 PolarHBondContact O-N 2.98Å; K26-V28 VanDerWaalsContact C-N 3.35Å; V28-I85 HydrophobicContact CG1-CD1 3.81Å; V28-I87 HydrophobicContact CG1-CD1 4.26Å
29V93.9Very high92.1Very high4 Ų440.4 Ų40.42%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-116.3131.5-174.2-1750000111Y2 V25 K32 L65 I85 I87Y2-V29 WeakPolarHBondContact O-CA 3.37Å; V25-V29 HydrophobicContact CG1-CB 4.05Å; V25-V29 HydrophobicContact CG1-CG2 3.92Å; V25-V29 PolarHBondContact O-N 3.46Å; V29-K32 VanDerWaalsContact CG1-O 3.25Å; V29-K32 WeakPolarHBondContact CG1-O 3.38Å; V29-L65 HydrophobicContact CB-CD1 4.46Å; V29-L65 HydrophobicContact CG1-CD1 3.97Å; V29-I85 HydrophobicContact CG2-CG2 4.02Å; V29-I87 HydrophobicContact CG2-CD1 4.17Å
30N92.4Very high91.7Very high80 Ų8041.2 Ų41.243%0.42821%0.208SC..EExtended strand (participates in β ladder)trans-104.5-36.8-170.2-169.839.6000115.3M1 Y2M1-N30 HydrophobicContact CB-CB 4.48Å; M1-N30 HydrophobicContact CG-CB 4.46Å; M1-N30 HydrophobicContact SD-CB 3.92Å; Y2-N30 PolarHBondContact O-N 3.33Å
31K93.7Very high91.4Very high128 Ų12843.7 Ų43.756%0.55722%0.224SC*.EExtended strand (participates in β ladder)trans-108.2-53.4-173.7-63.6-176.6170.4154.50113.7Q3 N66Q3-K31 HydrophobicContact CB-CD 4.4Å; Q3-K31 WeakPolarHBondContact O-CA 3.4Å; Q3-K31 WeakPolarHBondContact O-CB 3.25Å; Q3-K31 PolarHBondContact O-N 3.08Å; K31-N66 VanDerWaalsContact O-CB 3.3Å; K31-N66 WeakPolarHBondContact O-CB 3.16Å; K31-N66 PolarHBondContact O-N 3.32Å
32K95.6Very high90.9Very high14 Ų1448.5 Ų48.56%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-141.5136.3-168.8-161.2179.3-170.4178.60113.3Q3 S4 G5 V29 F34 N66 S80 V81 D209Q3-K32 PolarHBondContact O-N 3.16Å; S4-K32 CarbonylContact C-O 3.57Å; S4-K32 WeakPolarHBondContact CA-O 3.46Å; G5-K32 PolarHBondContact N-O 3.33Å; V29-K32 VanDerWaalsContact CG1-O 3.25Å; V29-K32 WeakPolarHBondContact CG1-O 3.38Å; K32-F34 HydrophobicContact CD-CE2 3.69Å; K32-F34 HydrophobicContact CD-CZ 3.73Å; K32-F34 VanDerWaalsContact CE-CZ 3.46Å; K32-F34 HydrophobicContact CG-CE2 4.05Å; K32-F34 HydrophobicContact CG-CZ 4.44Å; K32-N66 WeakPolarHBondContact CA-O 3.32Å; K32-N66 HydrophobicContact CB-CB 4.47Å; K32-N66 HydrophobicContact CG-CB 4.15Å; K32-N66 VanDerWaalsContact CG-O 3.25Å; K32-N66 WeakPolarHBondContact CG-O 3.42Å; K32-S80 PolarHBondContact NZ-OG 3.36Å; K32-V81 HydrophobicContact CB-CG2 4.43Å; K32-V81 HydrophobicContact CD-CG2 3.64Å; K32-D209 IonicContact NZ-OD1 3.83Å; K32-D209 PolarHBondContact NZ-OD1 3.17Å; K32-D209 IonicContact NZ-OD2 3.31Å; K32-D209 PolarHBondContact NZ-OD2 3.45Å
33L96.9Very high90.6Very high0 Ų051.7 Ų51.70%027%0.274CS..EExtended strand (participates in β ladder)trans-128.3126.2178.817969000110G5 L7 L22 V25 L35 L65 N66 V67 C68G5-L33 CarbonylContact O-C 3.57Å; G5-L33 WeakPolarHBondContact O-CA 3.37Å; L7-L33 HydrophobicContact CB-CD1 3.95Å; L22-L33 HydrophobicContact CD2-CD2 3.68Å; V25-L33 HydrophobicContact CB-CD2 4.49Å; V25-L33 HydrophobicContact CG1-CD1 3.65Å; V25-L33 HydrophobicContact CG1-CD2 3.66Å; V25-L33 HydrophobicContact CG1-CG 4.2Å; L33-L35 HydrophobicContact CD2-CD2 3.73Å; L33-L35 HydrophobicContact CG-CD2 3.95Å; L33-L65 HydrophobicContact CB-CD1 4.47Å; L33-L65 HydrophobicContact CB-CD2 3.62Å; L33-L65 HydrophobicContact CB-CG 3.99Å; L33-L65 HydrophobicContact CD2-CD2 3.85Å; L33-L65 HydrophobicContact CG-CD2 4.34Å; L33-N66 PolarHBondContact N-O 3.17Å; L33-V67 HydrophobicContact CB-CG2 4.32Å; L33-V67 HydrophobicContact CD2-CG2 4.25Å; L33-V67 CarbonylContact O-C 3.6Å; L33-V67 VanDerWaalsContact O-CA 3.26Å; L33-V67 WeakPolarHBondContact O-CA 3.43Å; L33-C68 PolarHBondContact O-N 3.1Å
34F96.4Very high90.5Very high0 Ų048.9 Ų48.90%026%0.262CS..EExtended strand (participates in β ladder)trans-95.4139.8169.8-63.1-96.9000109.1G5 L6 L7 K32 C68 L70 P79 V81 F83 D209G5-F34 PolarHBondContact O-N 3.1Å; L6-F34 CarbonylContact C-O 3.59Å; L6-F34 WeakPolarHBondContact CA-O 3.33Å; L6-F34 HydrophobicContact CD1-CB 3.76Å; L7-F34 PolarHBondContact N-O 2.95Å; K32-F34 HydrophobicContact CD-CE2 3.69Å; K32-F34 HydrophobicContact CD-CZ 3.73Å; K32-F34 VanDerWaalsContact CE-CZ 3.46Å; K32-F34 HydrophobicContact CG-CE2 4.05Å; K32-F34 HydrophobicContact CG-CZ 4.44Å; F34-C68 CarbonylContact C-O 3.56Å; F34-C68 VanDerWaalsContact CA-O 3.3Å; F34-C68 WeakPolarHBondContact CA-O 3.36Å; F34-C68 HydrophobicContact CD1-CB 3.88Å; F34-C68 HydrophobicContact CE1-CB 4.2Å; F34-L70 HydrophobicContact CB-CG 4.48Å; F34-L70 HydrophobicContact CD1-CD2 3.84Å; F34-L70 HydrophobicContact CD1-CG 4.49Å; F34-P79 HydrophobicContact CE1-CB 4.19Å; F34-P79 HydrophobicContact CZ-CB 3.9Å; F34-V81 HydrophobicContact CE2-CG2 3.77Å; F34-V81 HydrophobicContact CZ-CG2 4.15Å; F34-F83 HydrophobicContact CB-CE1 4.14Å; F34-F83 HydrophobicContact CD1-CE1 4.37Å; F34-F83 AromaticContact CD2-CD1 3.84Å; F34-F83 HydrophobicContact CD2-CD1 3.84Å; F34-F83 AromaticContact CD2-CE1 3.33Å; F34-F83 HydrophobicContact CD2-CE1 3.33Å; F34-F83 HydrophobicContact CD2-CZ 4.38Å; F34-F83 HydrophobicContact CE2-CD1 4.12Å; F34-F83 AromaticContact CE2-CE1 3.66Å; F34-F83 HydrophobicContact CE2-CE1 3.66Å; F34-F83 AromaticContact CG-CE1 3.71Å; F34-F83 HydrophobicContact CG-CE1 3.71Å; F34-F83 HydrophobicContact CG-CZ 4.36Å; F34-F83 HydrophobicContact CZ-CE1 4.29Å; F34-D209 HydrophobicContact CE1-CB 3.96Å; F34-D209 WeakPolarHBondContact CE1-O 3.38Å
35L95.7Very high90.4Very high0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-111.6123.4173.5-54-177.6000108.3L7 L9 L33 C54 V67 C68 L69 L70L7-L35 HydrophobicContact CB-CD2 3.81Å; L7-L35 HydrophobicContact CD2-CD2 3.82Å; L7-L35 HydrophobicContact CG-CD2 4.17Å; L7-L35 WeakPolarHBondContact O-CA 3.46Å; L9-L35 HydrophobicContact CD1-CB 4.44Å; L9-L35 HydrophobicContact CD1-CD1 4.45Å; L9-L35 HydrophobicContact CD1-CD2 4.41Å; L33-L35 HydrophobicContact CD2-CD2 3.73Å; L33-L35 HydrophobicContact CG-CD2 3.95Å; L35-C54 HydrophobicContact CD1-CB 3.81Å; L35-V67 HydrophobicContact CD1-CG1 3.61Å; L35-V67 HydrophobicContact CD2-CG1 4.33Å; L35-V67 HydrophobicContact CG-CG1 3.72Å; L35-C68 PolarHBondContact N-O 3.01Å; L35-L69 HydrophobicContact CB-CD1 3.82Å; L35-L70 WeakPolarHBondContact O-CB 3.44Å; L35-L70 PolarHBondContact O-N 3.2Å
36A93.9Very high90.3Very high4 Ų451.5 Ų51.53%0.03328%0.279CS..EExtended strand (participates in β ladder)trans-111.4136.8171.900000109.8L6 L7 I8 L9 L70 I105L6-A36 HydrophobicContact CD1-CB 3.9Å; L7-A36 PolarHBondContact O-N 3.16Å; I8-A36 HydrophobicContact CG1-CB 4.45Å; L9-A36 PolarHBondContact N-O 3.48Å; A36-L70 HydrophobicContact CB-CD1 4.16Å; A36-I105 HydrophobicContact CB-CD1 4.12Å
37I92.4Very high90.3Very high13 Ų1346.9 Ų46.97%0.06726%0.259CS..  trans-129.6115.2173.3-60.7165.3000107L9 P11 Q39 F46 W47 T50 L69L9-I37 HydrophobicContact CB-CG1 3.8Å; L9-I37 HydrophobicContact CD1-CG1 4.37Å; P11-I37 HydrophobicContact CB-CG2 4.47Å; P11-I37 HydrophobicContact CG-CG2 4.33Å; I37-Q39 HydrophobicContact CG2-CB 3.97Å; I37-Q39 PolarHBondContact O-N 3.44Å; I37-F46 HydrophobicContact CG2-CE1 4.41Å; I37-F46 HydrophobicContact CG2-CZ 4.18Å; I37-W47 HydrophobicContact CB-CH2 3.9Å; I37-W47 HydrophobicContact CB-CZ3 4.41Å; I37-W47 HydrophobicContact CD1-CZ3 4.44Å; I37-T50 HydrophobicContact CD1-CG2 3.22Å; I37-L69 HydrophobicContact CD1-CD1 4Å
38P87.3Confident90.3Very high43 Ų4343.7 Ų43.728%0.27924%0.239SC..  trans-76.777.7179.731.8-31.1000109.4L9 P11 F93 W97L9-P38 WeakPolarHBondContact O-CD 3.42Å; P11-P38 WeakPolarHBondContact CG-O 3.39Å; P38-F93 HydrophobicContact CG-CE1 3.69Å; P38-F93 HydrophobicContact CG-CZ 3.75Å; P38-W97 HydrophobicContact CB-CH2 3.72Å; P38-W97 HydrophobicContact CB-CZ2 3.82Å; P38-W97 HydrophobicContact CG-CH2 3.75Å; P38-W97 HydrophobicContact CG-CZ2 4.25Å
39Q85.2Confident90.2Very high70 Ų7047.9 Ų47.933%0.32726%0.256SS..  trans-130.9145.9179.9-176.467.9-8.600110.1P11 I37 F46 W47P11-Q39 HydrophobicContact CB-CB 4.41Å; P11-Q39 HydrophobicContact CG-CB 4.23Å; I37-Q39 HydrophobicContact CG2-CB 3.97Å; I37-Q39 PolarHBondContact O-N 3.44Å; Q39-F46 HydrophobicContact CB-CE1 3.93Å; Q39-F46 HydrophobicContact CB-CZ 4.36Å; Q39-F46 HydrophobicContact CG-CD1 3.86Å; Q39-F46 HydrophobicContact CG-CE1 3.59Å; Q39-F46 HydrophobicContact CG-CZ 4.04Å; Q39-W47 HydrophobicContact CB-CZ2 3.91Å
40S81.7Confident90.1Very high59 Ų5948.4 Ų48.441%0.41326%0.259SS..  trans-54142.1176.4177.80000112.1S42 W47S40-S42 PolarHBondContact O-N 3Å; S40-S42 PolarHBondContact OG-N 3.38Å; S40-S42 PolarHBondContact OG-OG 3.31Å; S40-W47 PolarHBondContact O-NE1 3.18Å
41P81.5Confident90.1Very high91 Ų9144.6 Ų44.659%0.59124%0.239SC*.THydrogen-bonded Turntrans-67.8-12.9173.527.1-34.3000113.9D43 P72P41-D43 VanDerWaalsContact C-N 3.29Å; P41-D43 PolarHBondContact O-N 3.24Å; P41-P72 HydrophobicContact CB-CB 3.81Å; P41-P72 HydrophobicContact CB-CG 3.77Å
42S81.4Confident89.9Confident104 Ų10439.9 Ų39.973%0.72722%0.221SC*.THydrogen-bonded Turntrans-67.9-22.1-170.157.50000115S40 F44S40-S42 PolarHBondContact O-N 3Å; S40-S42 PolarHBondContact OG-N 3.38Å; S40-S42 PolarHBondContact OG-OG 3.31Å; S42-F44 PolarHBondContact O-N 2.94Å
43D86.6Confident89.7Confident67 Ų6741.5 Ų41.536%0.35823%0.23SC..  trans-99.485.8-176.7-170-13.8000111.7P41 I45 F46 W47P41-D43 VanDerWaalsContact C-N 3.29Å; P41-D43 PolarHBondContact O-N 3.24Å; D43-I45 VanDerWaalsContact C-N 3.26Å; D43-I45 PolarHBondContact O-N 3.15Å; D43-I45 PolarHBondContact OD1-N 2.93Å; D43-I45 VanDerWaalsContact OD1-N 3.14Å; D43-F46 HydrophobicContact CB-CB 3.79Å; D43-F46 WeakPolarHBondContact O-CB 3.21Å; D43-F46 PolarHBondContact O-N 2.97Å; D43-F46 PolarHBondContact OD1-N 3.43Å; D43-F46 VanDerWaalsContact OD2-CB 3.31Å; D43-F46 WeakPolarHBondContact OD2-CB 3.38Å; D43-W47 PolarHBondContact O-N 3.34Å; D43-W47 VanDerWaalsContact O-N 3.12Å
44F88.5Confident89.5Confident26 Ų2641.6 Ų41.611%0.11423%0.23CC..Hα-helixtrans-58.2-38.6176.4173.4-105.1000112.6S42 W47 K48 H140 V165 L168 L169S42-F44 PolarHBondContact O-N 2.94Å; F44-W47 PolarHBondContact O-N 3.02Å; F44-K48 HydrophobicContact CE1-CB 4.35Å; F44-K48 HydrophobicContact CE1-CD 4.04Å; F44-K48 HydrophobicContact CZ-CB 4.19Å; F44-K48 HydrophobicContact CZ-CD 4.09Å; F44-K48 HydrophobicContact CZ-CG 4.46Å; F44-K48 WeakPolarHBondContact O-CB 3.4Å; F44-K48 PolarHBondContact O-N 3.21Å; F44-H140 AromaticContact CD1-CD2 3.47Å; F44-H140 VanDerWaalsContact CD1-CD2 3.47Å; F44-H140 WeakPolarHBondContact CD1-CD2 3.19Å; F44-H140 AromaticContact CD1-CE1 3.67Å; F44-H140 AromaticContact CD1-CG 3.85Å; F44-H140 AromaticContact CD1-ND1 3.97Å; F44-H140 AromaticContact CD1-NE2 3.37Å; F44-H140 WeakPolarHBondContact CD1-NE2 3.47Å; F44-H140 AromaticContact CE1-CD2 4Å; F44-H140 AromaticContact CE1-CE1 3.35Å; F44-H140 WeakPolarHBondContact CE1-CE1 3.4Å; F44-H140 AromaticContact CE1-ND1 3.86Å; F44-H140 AromaticContact CE1-NE2 3.45Å; F44-H140 WeakPolarHBondContact CE1-NE2 3.31Å; F44-V165 HydrophobicContact CE2-CG1 4.39Å; F44-V165 HydrophobicContact CZ-CG1 4.1Å; F44-L168 HydrophobicContact CD2-CB 4.07Å; F44-L168 HydrophobicContact CE2-CB 3.94Å; F44-L169 HydrophobicContact CD1-CD2 4.27Å; F44-L169 HydrophobicContact CD2-CD2 3.75Å; F44-L169 HydrophobicContact CD2-CG 4.22Å; F44-L169 HydrophobicContact CE1-CD2 3.9Å; F44-L169 HydrophobicContact CE2-CD1 4.26Å; F44-L169 HydrophobicContact CE2-CD2 3.35Å; F44-L169 HydrophobicContact CE2-CG 3.43Å; F44-L169 VanDerWaalsContact CE2-CG 3.43Å; F44-L169 HydrophobicContact CG-CD2 4.21Å; F44-L169 HydrophobicContact CZ-CD1 3.96Å; F44-L169 HydrophobicContact CZ-CD2 3.42Å; F44-L169 VanDerWaalsContact CZ-CD2 3.42Å; F44-L169 HydrophobicContact CZ-CG 3.61Å
45I88.5Confident89.3Confident99 Ų9941.6 Ų41.651%0.50823%0.23SC..Hα-helixtrans-65.8-43.2-177.3-63.8175000109.8D43 K49D43-I45 VanDerWaalsContact C-N 3.26Å; D43-I45 PolarHBondContact O-N 3.15Å; D43-I45 PolarHBondContact OD1-N 2.93Å; D43-I45 VanDerWaalsContact OD1-N 3.14Å; I45-K49 HydrophobicContact CG2-CD 4.14Å; I45-K49 WeakPolarHBondContact O-CB 3.33Å; I45-K49 VanDerWaalsContact O-CG 3.31Å; I45-K49 WeakPolarHBondContact O-CG 3.49Å; I45-K49 PolarHBondContact O-N 3.47Å; I45-K49 VanDerWaalsContact O-N 3.08Å
46F90.7Very high89Confident38 Ų3842.8 Ų42.817%0.16724%0.237CC..Hα-helixtrans-54.9-55171.1171-92.5000110.7P11 I37 Q39 D43 K48 K49 T50P11-F46 HydrophobicContact CB-CZ 4.5Å; P11-F46 WeakPolarHBondContact O-CE2 3.42Å; I37-F46 HydrophobicContact CG2-CE1 4.41Å; I37-F46 HydrophobicContact CG2-CZ 4.18Å; Q39-F46 HydrophobicContact CB-CE1 3.93Å; Q39-F46 HydrophobicContact CB-CZ 4.36Å; Q39-F46 HydrophobicContact CG-CD1 3.86Å; Q39-F46 HydrophobicContact CG-CE1 3.59Å; Q39-F46 HydrophobicContact CG-CZ 4.04Å; D43-F46 HydrophobicContact CB-CB 3.79Å; D43-F46 WeakPolarHBondContact O-CB 3.21Å; D43-F46 PolarHBondContact O-N 2.97Å; D43-F46 PolarHBondContact OD1-N 3.43Å; D43-F46 VanDerWaalsContact OD2-CB 3.31Å; D43-F46 WeakPolarHBondContact OD2-CB 3.38Å; F46-K48 PolarHBondContact O-N 3.37Å; F46-K49 PolarHBondContact O-N 3.3Å; F46-T50 HydrophobicContact CE1-CG2 4.47Å; F46-T50 WeakPolarHBondContact CZ-OG1 3.5Å; F46-T50 VanDerWaalsContact O-CB 3.29Å; F46-T50 WeakPolarHBondContact O-CB 3.06Å; F46-T50 PolarHBondContact O-N 2.91Å; F46-T50 PolarHBondContact O-OG1 3.05Å
47W91.3Very high88.8Confident3 Ų343 Ų431%0.01124%0.239CC..Hα-helixtrans-64.4-37.4-175.5-77.1107.9000113.4I37 Q39 S40 D43 F44 T50 A51 L69 P72 L168I37-W47 HydrophobicContact CB-CH2 3.9Å; I37-W47 HydrophobicContact CB-CZ3 4.41Å; I37-W47 HydrophobicContact CD1-CZ3 4.44Å; Q39-W47 HydrophobicContact CB-CZ2 3.91Å; S40-W47 PolarHBondContact O-NE1 3.18Å; D43-W47 PolarHBondContact O-N 3.34Å; D43-W47 VanDerWaalsContact O-N 3.12Å; F44-W47 PolarHBondContact O-N 3.02Å; W47-T50 PolarHBondContact O-N 3.13Å; W47-A51 WeakPolarHBondContact O-CB 3.37Å; W47-A51 PolarHBondContact O-N 3.45Å; W47-L69 HydrophobicContact CE3-CD2 4.44Å; W47-L69 HydrophobicContact CZ3-CD1 4.29Å; W47-L69 HydrophobicContact CZ3-CD2 4.41Å; W47-L69 HydrophobicContact CZ3-CG 4.42Å; W47-P72 HydrophobicContact CD2-CG 4.03Å; W47-P72 HydrophobicContact CG-CG 4.37Å; W47-P72 HydrophobicContact CH2-CB 4.23Å; W47-P72 HydrophobicContact CH2-CG 4.45Å; W47-P72 HydrophobicContact CZ2-CB 3.52Å; W47-P72 HydrophobicContact CZ2-CG 3.79Å; W47-L168 HydrophobicContact CB-CD1 3.62Å; W47-L168 HydrophobicContact CB-CD2 3.69Å; W47-L168 HydrophobicContact CB-CG 4.29Å; W47-L168 HydrophobicContact CD2-CD2 4.39Å; W47-L168 HydrophobicContact CG-CD2 3.95Å
48K91Very high88.7Confident52 Ų5242.4 Ų42.423%0.22624%0.236CC..Hα-helixtrans-61-46.4173.4-176.3-178.7179.3-1770111.6F44 F46 T52 V165 E266 V267F44-K48 HydrophobicContact CE1-CB 4.35Å; F44-K48 HydrophobicContact CE1-CD 4.04Å; F44-K48 HydrophobicContact CZ-CB 4.19Å; F44-K48 HydrophobicContact CZ-CD 4.09Å; F44-K48 HydrophobicContact CZ-CG 4.46Å; F44-K48 WeakPolarHBondContact O-CB 3.4Å; F44-K48 PolarHBondContact O-N 3.21Å; F46-K48 PolarHBondContact O-N 3.37Å; K48-T52 PolarHBondContact O-N 2.94Å; K48-T52 PolarHBondContact O-OG1 3.13Å; K48-V165 HydrophobicContact CG-CG2 4.13Å; K48-E266 WeakPolarHBondContact CE-OE1 3.29Å; K48-E266 IonicContact NZ-OE1 2.63Å; K48-E266 PolarHBondContact NZ-OE1 3.01Å; K48-V267 PolarHBondContact NZ-O 2.77Å; K48-V267 VanDerWaalsContact NZ-O 3.15Å
49K89.4Confident88.7Confident110 Ų11040.9 Ų40.948%0.47823%0.226SC..Hα-helixtrans-65-46.3177.3-73.4176.8180-1800111.2I45 F46 T52 L53I45-K49 HydrophobicContact CG2-CD 4.14Å; I45-K49 WeakPolarHBondContact O-CB 3.33Å; I45-K49 VanDerWaalsContact O-CG 3.31Å; I45-K49 WeakPolarHBondContact O-CG 3.49Å; I45-K49 PolarHBondContact O-N 3.47Å; I45-K49 VanDerWaalsContact O-N 3.08Å; F46-K49 PolarHBondContact O-N 3.3Å; K49-T52 WeakPolarHBondContact O-CB 3.45Å; K49-T52 PolarHBondContact O-N 2.88Å; K49-L53 WeakPolarHBondContact O-CB 3.36Å; K49-L53 PolarHBondContact O-N 3.22Å
50T91.3Very high88.8Confident16 Ų1643.3 Ų43.310%0.09824%0.235CC..Hα-helixtrans-60.9-45.8178.9-65.80000111.8I37 F46 W47 T52 L53 C54 L69I37-T50 HydrophobicContact CD1-CG2 3.22Å; F46-T50 HydrophobicContact CE1-CG2 4.47Å; F46-T50 WeakPolarHBondContact CZ-OG1 3.5Å; F46-T50 VanDerWaalsContact O-CB 3.29Å; F46-T50 WeakPolarHBondContact O-CB 3.06Å; F46-T50 PolarHBondContact O-N 2.91Å; F46-T50 PolarHBondContact O-OG1 3.05Å; W47-T50 PolarHBondContact O-N 3.13Å; T50-T52 VanDerWaalsContact C-N 3.31Å; T50-T52 PolarHBondContact O-N 3.34Å; T50-L53 PolarHBondContact O-N 3.4Å; T50-C54 VanDerWaalsContact O-CB 3.31Å; T50-C54 WeakPolarHBondContact O-CB 3.47Å; T50-C54 PolarHBondContact O-N 3.41Å; T50-C54 PolarHBondContact O-SG 3.45Å; T50-L69 HydrophobicContact CG2-CD2 4.16Å
51A92.4Very high89.1Confident0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-58.7-44.9175.400000111.6W47 Y55 L69 T164W47-A51 WeakPolarHBondContact O-CB 3.37Å; W47-A51 PolarHBondContact O-N 3.45Å; A51-Y55 HydrophobicContact CB-CD2 4.48Å; A51-Y55 HydrophobicContact CB-CE2 4.42Å; A51-Y55 WeakPolarHBondContact O-CD2 3.35Å; A51-Y55 PolarHBondContact O-N 2.95Å; A51-Y55 VanDerWaalsContact O-N 3.09Å; A51-L69 HydrophobicContact CB-CD2 3.9Å; A51-T164 HydrophobicContact CB-CG2 3.94Å
52T90.8Very high89.5Confident29 Ų2936.7 Ų36.718%0.17819%0.191CC..Hα-helixtrans-62.3-48.2177.7-55.20000111.1K48 K49 T50 T56K48-T52 PolarHBondContact O-N 2.94Å; K48-T52 PolarHBondContact O-OG1 3.13Å; K49-T52 WeakPolarHBondContact O-CB 3.45Å; K49-T52 PolarHBondContact O-N 2.88Å; T50-T52 VanDerWaalsContact C-N 3.31Å; T50-T52 PolarHBondContact O-N 3.34Å; T52-T56 HydrophobicContact CG2-CG2 4.32Å; T52-T56 VanDerWaalsContact O-CB 3.31Å; T52-T56 WeakPolarHBondContact O-CB 3.36Å; T52-T56 WeakPolarHBondContact O-CG2 3.28Å; T52-T56 PolarHBondContact O-N 3.11Å; T52-T56 PolarHBondContact O-OG1 3.31Å
53L90.3Very high89.7Confident48 Ų4835.8 Ų35.825%0.25118%0.182SC..Hα-helixtrans-60.9-48.3177.8179.461.7000111.9L18 K49 T50 Y55 T56 T57L18-L53 HydrophobicContact CD2-CG 4.1Å; K49-L53 WeakPolarHBondContact O-CB 3.36Å; K49-L53 PolarHBondContact O-N 3.22Å; T50-L53 PolarHBondContact O-N 3.4Å; L53-Y55 PolarHBondContact O-N 3.23Å; L53-T56 PolarHBondContact O-OG1 2.88Å; L53-T57 WeakPolarHBondContact O-CB 3.44Å; L53-T57 PolarHBondContact O-N 3.39Å; L53-T57 PolarHBondContact O-OG1 3.02Å; L53-T57 VanDerWaalsContact O-OG1 3.06Å
54C92.8Very high89.6Confident2 Ų237.4 Ų37.41%0.01420%0.199CC..Hα-helixtrans-59.4-50.8-178.4-73.10000112.3L35 T50 A58L35-C54 HydrophobicContact CD1-CB 3.81Å; T50-C54 VanDerWaalsContact O-CB 3.31Å; T50-C54 WeakPolarHBondContact O-CB 3.47Å; T50-C54 PolarHBondContact O-N 3.41Å; T50-C54 PolarHBondContact O-SG 3.45Å; C54-A58 WeakPolarHBondContact O-CB 3.5Å; C54-A58 PolarHBondContact O-N 2.76Å
55Y92.4Very high89.8Confident0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-74.6-32.8-176.2-68.5-51.8000113A51 L53 C59 V67 L69 Y157 K160 I161 T164 F206A51-Y55 HydrophobicContact CB-CD2 4.48Å; A51-Y55 HydrophobicContact CB-CE2 4.42Å; A51-Y55 WeakPolarHBondContact O-CD2 3.35Å; A51-Y55 PolarHBondContact O-N 2.95Å; A51-Y55 VanDerWaalsContact O-N 3.09Å; L53-Y55 PolarHBondContact O-N 3.23Å; Y55-C59 WeakPolarHBondContact O-CB 3.31Å; Y55-C59 PolarHBondContact O-N 3.38Å; Y55-V67 WeakPolarHBondContact CE1-O 3.47Å; Y55-L69 HydrophobicContact CE2-CB 4.33Å; Y55-L69 PolarHBondContact OH-N 3.07Å; Y55-Y157 AromaticContact CD1-CD1 3.62Å; Y55-Y157 HydrophobicContact CD1-CD1 3.62Å; Y55-Y157 HydrophobicContact CD1-CE1 4.04Å; Y55-Y157 HydrophobicContact CG-CD1 4.14Å; Y55-K160 HydrophobicContact CD1-CB 4.14Å; Y55-K160 HydrophobicContact CD1-CD 4.12Å; Y55-K160 HydrophobicContact CD2-CB 4.21Å; Y55-K160 HydrophobicContact CE1-CB 3.9Å; Y55-K160 HydrophobicContact CE1-CD 3.84Å; Y55-K160 HydrophobicContact CE2-CB 4Å; Y55-K160 HydrophobicContact CG-CB 4.28Å; Y55-I161 HydrophobicContact CD2-CB 4.35Å; Y55-I161 HydrophobicContact CD2-CG1 3.52Å; Y55-I161 HydrophobicContact CG-CG1 4Å; Y55-T164 HydrophobicContact CE2-CG2 4.45Å; Y55-T164 WeakPolarHBondContact CE2-OG1 3.35Å; Y55-T164 PolarHBondContact OH-OG1 3.45Å; Y55-F206 WeakPolarHBondContact OH-CZ 3.19Å
56T88.8Confident90.1Very high24 Ų2434.8 Ų34.815%0.14719%0.187CC..Hα-helixtrans-70.8-42.9175.454.90000111.8T52 L53 C59 K60 I161 I271T52-T56 HydrophobicContact CG2-CG2 4.32Å; T52-T56 VanDerWaalsContact O-CB 3.31Å; T52-T56 WeakPolarHBondContact O-CB 3.36Å; T52-T56 WeakPolarHBondContact O-CG2 3.28Å; T52-T56 PolarHBondContact O-N 3.11Å; T52-T56 PolarHBondContact O-OG1 3.31Å; L53-T56 PolarHBondContact O-OG1 2.88Å; T56-C59 WeakPolarHBondContact O-CB 3.36Å; T56-C59 PolarHBondContact O-N 2.91Å; T56-K60 WeakPolarHBondContact O-CG 3.4Å; T56-K60 PolarHBondContact O-N 3.31Å; T56-I161 HydrophobicContact CG2-CD1 4.46Å; T56-I271 HydrophobicContact CG2-CD1 4.09Å; T56-I271 HydrophobicContact CG2-CG1 4.49Å
57T89.9Confident90.3Very high10 Ų1033 Ų336%0.06118%0.179CC..Hα-helixtrans-66.5-42.6174.6-57.30000111.3L18 F19 L22 L53 C59 K60 V61L18-T57 HydrophobicContact CB-CG2 4.46Å; L18-T57 HydrophobicContact CD2-CG2 4.29Å; L18-T57 HydrophobicContact CG-CG2 4.09Å; F19-T57 HydrophobicContact CB-CG2 4.02Å; F19-T57 HydrophobicContact CD2-CG2 4.25Å; L22-T57 HydrophobicContact CD1-CG2 3.88Å; L53-T57 WeakPolarHBondContact O-CB 3.44Å; L53-T57 PolarHBondContact O-N 3.39Å; L53-T57 PolarHBondContact O-OG1 3.02Å; L53-T57 VanDerWaalsContact O-OG1 3.06Å; T57-C59 VanDerWaalsContact C-N 3.3Å; T57-C59 PolarHBondContact O-N 3.03Å; T57-K60 PolarHBondContact O-N 3.49Å; T57-K60 VanDerWaalsContact O-N 3.09Å; T57-V61 HydrophobicContact CG2-CG2 4.09Å; T57-V61 WeakPolarHBondContact O-CG2 3.43Å; T57-V61 PolarHBondContact O-N 2.74Å
58A91.8Very high90.6Very high0 Ų032.8 Ų32.80%018%0.178CC..Hα-helixtrans-58-41174.500000112.5L22 C54 K60 V61 C62 V67 Y157L22-A58 HydrophobicContact CD1-CB 4.2Å; C54-A58 WeakPolarHBondContact O-CB 3.5Å; C54-A58 PolarHBondContact O-N 2.76Å; A58-K60 VanDerWaalsContact C-N 3.33Å; A58-K60 PolarHBondContact O-N 3.21Å; A58-V61 PolarHBondContact O-N 3.22Å; A58-C62 CarbonylContact O-C 3.57Å; A58-C62 WeakPolarHBondContact O-CA 3.25Å; A58-C62 PolarHBondContact O-N 3.45Å; A58-C62 PolarHBondContact O-SG 2.71Å; A58-V67 HydrophobicContact CB-CB 4.21Å; A58-V67 HydrophobicContact CB-CG1 4.45Å; A58-V67 HydrophobicContact CB-CG2 3.76Å; A58-Y157 HydrophobicContact CB-CE1 3.9Å
59C87.2Confident90.8Very high11 Ų1130.4 Ų30.47%0.07417%0.168CC..Hα-helixtrans-59.6-43174-174.10000112.9Y55 T56 T57 P63 Y157 L292Y55-C59 WeakPolarHBondContact O-CB 3.31Å; Y55-C59 PolarHBondContact O-N 3.38Å; T56-C59 WeakPolarHBondContact O-CB 3.36Å; T56-C59 PolarHBondContact O-N 2.91Å; T57-C59 VanDerWaalsContact C-N 3.3Å; T57-C59 PolarHBondContact O-N 3.03Å; C59-P63 WeakPolarHBondContact O-CB 3.33Å; C59-Y157 HydrophobicContact CB-CD2 3.46Å; C59-Y157 VanDerWaalsContact CB-CD2 3.46Å; C59-Y157 HydrophobicContact CB-CE2 3.85Å; C59-Y157 HydrophobicContact CB-CG 4.16Å; C59-L292 HydrophobicContact CB-CD1 3.78Å; C59-L292 WeakPolarHBondContact SG-CD1 3.35Å; C59-L292 VanDerWaalsContact SG-CG 3.56Å
60K85.7Confident91.1Very high121 Ų12125.4 Ų25.453%0.52615%0.147SC..Hα-helixtrans-69.8-38.5-178.3-69.5176.9-179179.80112T56 T57 A58T56-K60 WeakPolarHBondContact O-CG 3.4Å; T56-K60 PolarHBondContact O-N 3.31Å; T57-K60 PolarHBondContact O-N 3.49Å; T57-K60 VanDerWaalsContact O-N 3.09Å; A58-K60 VanDerWaalsContact C-N 3.33Å; A58-K60 PolarHBondContact O-N 3.21Å
61V89.4Confident91.2Very high9 Ų925.5 Ų25.56%0.05515%0.146CC..Hα-helixtrans-93.9-48.4-170.2-178.70000112.8F19 L22 K23 K26 T57 A58F19-V61 HydrophobicContact CD2-CG2 3.15Å; F19-V61 HydrophobicContact CE2-CG2 3.35Å; F19-V61 HydrophobicContact CG-CG2 3.89Å; F19-V61 HydrophobicContact CZ-CG2 4.21Å; L22-V61 HydrophobicContact CB-CB 4.13Å; L22-V61 HydrophobicContact CB-CG1 3.85Å; K23-V61 HydrophobicContact CB-CG1 4.28Å; K23-V61 HydrophobicContact CG-CG1 3.84Å; K26-V61 WeakPolarHBondContact CD-O 2.87Å; K26-V61 PolarHBondContact NZ-O 3.3Å; T57-V61 HydrophobicContact CG2-CG2 4.09Å; T57-V61 WeakPolarHBondContact O-CG2 3.43Å; T57-V61 PolarHBondContact O-N 2.74Å; A58-V61 PolarHBondContact O-N 3.22Å
62C89.9Confident91Very high1 Ų126.9 Ų26.91%0.00716%0.155CC..  trans-134.462.6-171.853.60000111.7K26 A58 S64 L65 Y157K26-C62 HydrophobicContact CB-CB 4.16Å; K26-C62 HydrophobicContact CG-CB 4.22Å; A58-C62 CarbonylContact O-C 3.57Å; A58-C62 WeakPolarHBondContact O-CA 3.25Å; A58-C62 PolarHBondContact O-N 3.45Å; A58-C62 PolarHBondContact O-SG 2.71Å; C62-S64 PolarHBondContact O-N 3.23Å; C62-S64 VanDerWaalsContact O-N 3.12Å; C62-L65 HydrophobicContact CB-CB 4.04Å; C62-L65 HydrophobicContact CB-CD2 4.37Å; C62-L65 WeakPolarHBondContact O-CB 3.11Å; C62-L65 PolarHBondContact O-N 3.26Å; C62-Y157 PolarHBondContact O-OH 2.98Å
63P84.9Confident90.5Very high85 Ų8527.4 Ų27.455%0.55216%0.158SC*.THydrogen-bonded Turntrans-61.3-24.9-175.623.2-33.7000114.3C59C59-P63 WeakPolarHBondContact O-CB 3.33Å
64S85.8Confident89.6Confident101 Ų10131.9 Ų31.971%0.70619%0.188SC*.THydrogen-bonded Turntrans-78.4-17.3177.855.10000114C62C62-S64 PolarHBondContact O-N 3.23Å; C62-S64 VanDerWaalsContact O-N 3.12Å
65L92Very high89Confident7 Ų739 Ų394%0.03722%0.219CC..SBendtrans-85.8133.3-174.4-169.862.4000110.6V25 V29 L33 C62 V67 Y157V25-L65 HydrophobicContact CG1-CD2 4.24Å; V29-L65 HydrophobicContact CB-CD1 4.46Å; V29-L65 HydrophobicContact CG1-CD1 3.97Å; L33-L65 HydrophobicContact CB-CD1 4.47Å; L33-L65 HydrophobicContact CB-CD2 3.62Å; L33-L65 HydrophobicContact CB-CG 3.99Å; L33-L65 HydrophobicContact CD2-CD2 3.85Å; L33-L65 HydrophobicContact CG-CD2 4.34Å; C62-L65 HydrophobicContact CB-CB 4.04Å; C62-L65 HydrophobicContact CB-CD2 4.37Å; C62-L65 WeakPolarHBondContact O-CB 3.11Å; C62-L65 PolarHBondContact O-N 3.26Å; L65-V67 HydrophobicContact CB-CG2 4.41Å; L65-V67 HydrophobicContact CD2-CG2 4.27Å; L65-V67 HydrophobicContact CG-CG2 4.25Å; L65-V67 PolarHBondContact O-N 2.97Å; L65-Y157 PolarHBondContact O-OH 3.21Å
66N94.1Very high88.3Confident63 Ų6341.9 Ų41.934%0.33723%0.23SC..EExtended strand (participates in β ladder)trans-79.891.4173.5-17510.5000110.3K31 K32 L33 K160K31-N66 VanDerWaalsContact O-CB 3.3Å; K31-N66 WeakPolarHBondContact O-CB 3.16Å; K31-N66 PolarHBondContact O-N 3.32Å; K32-N66 WeakPolarHBondContact CA-O 3.32Å; K32-N66 HydrophobicContact CB-CB 4.47Å; K32-N66 HydrophobicContact CG-CB 4.15Å; K32-N66 VanDerWaalsContact CG-O 3.25Å; K32-N66 WeakPolarHBondContact CG-O 3.42Å; L33-N66 PolarHBondContact N-O 3.17Å; N66-K160 WeakPolarHBondContact OD1-CE 3.5Å; N66-K160 PolarHBondContact OD1-NZ 2.79Å
67V95.9Very high87.8Confident0 Ų041.9 Ų41.90%023%0.23CC..EExtended strand (participates in β ladder)trans-83.7136.1177.2-174.20000111.9L33 L35 Y55 A58 L65 Y157 K160L33-V67 HydrophobicContact CB-CG2 4.32Å; L33-V67 HydrophobicContact CD2-CG2 4.25Å; L33-V67 CarbonylContact O-C 3.6Å; L33-V67 VanDerWaalsContact O-CA 3.26Å; L33-V67 WeakPolarHBondContact O-CA 3.43Å; L35-V67 HydrophobicContact CD1-CG1 3.61Å; L35-V67 HydrophobicContact CD2-CG1 4.33Å; L35-V67 HydrophobicContact CG-CG1 3.72Å; Y55-V67 WeakPolarHBondContact CE1-O 3.47Å; A58-V67 HydrophobicContact CB-CB 4.21Å; A58-V67 HydrophobicContact CB-CG1 4.45Å; A58-V67 HydrophobicContact CB-CG2 3.76Å; L65-V67 HydrophobicContact CB-CG2 4.41Å; L65-V67 HydrophobicContact CD2-CG2 4.27Å; L65-V67 HydrophobicContact CG-CG2 4.25Å; L65-V67 PolarHBondContact O-N 2.97Å; V67-Y157 HydrophobicContact CB-CE1 4.12Å; V67-Y157 HydrophobicContact CG2-CE1 4.43Å; V67-K160 PolarHBondContact O-NZ 3.34Å
68C96.5Very high87.5Confident0 Ų048.6 Ų48.60%026%0.258CS..EExtended strand (participates in β ladder)trans-129114.6176.6-70.70000109.3L33 F34 L35 I210L33-C68 PolarHBondContact O-N 3.1Å; F34-C68 CarbonylContact C-O 3.56Å; F34-C68 VanDerWaalsContact CA-O 3.3Å; F34-C68 WeakPolarHBondContact CA-O 3.36Å; F34-C68 HydrophobicContact CD1-CB 3.88Å; F34-C68 HydrophobicContact CE1-CB 4.2Å; L35-C68 PolarHBondContact N-O 3.01Å; C68-I210 HydrophobicContact CB-CG2 4.13Å
69L96Very high87.1Confident1 Ų149 Ų491%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-82.2118.1171.4177.464.1000109.2L35 I37 W47 T50 A51 Y55 I210L35-L69 HydrophobicContact CB-CD1 3.82Å; I37-L69 HydrophobicContact CD1-CD1 4Å; W47-L69 HydrophobicContact CE3-CD2 4.44Å; W47-L69 HydrophobicContact CZ3-CD1 4.29Å; W47-L69 HydrophobicContact CZ3-CD2 4.41Å; W47-L69 HydrophobicContact CZ3-CG 4.42Å; T50-L69 HydrophobicContact CG2-CD2 4.16Å; A51-L69 HydrophobicContact CB-CD2 3.9Å; Y55-L69 HydrophobicContact CE2-CB 4.33Å; Y55-L69 PolarHBondContact OH-N 3.07Å; L69-I210 VanDerWaalsContact O-CB 3.32Å; L69-I210 WeakPolarHBondContact O-CB 3.24Å; L69-I210 VanDerWaalsContact O-CG2 3.27Å; L69-I210 WeakPolarHBondContact O-CG2 3.34Å
70L95.2Very high87Confident6 Ų651.6 Ų51.63%0.03128%0.279CS..PPolyproline II helixtrans-68.7136.2177-63.3178.3000110.2L6 F34 L35 A36 Y76 I105 D209L6-L70 HydrophobicContact CD1-CD1 4.16Å; F34-L70 HydrophobicContact CB-CG 4.48Å; F34-L70 HydrophobicContact CD1-CD2 3.84Å; F34-L70 HydrophobicContact CD1-CG 4.49Å; L35-L70 WeakPolarHBondContact O-CB 3.44Å; L35-L70 PolarHBondContact O-N 3.2Å; A36-L70 HydrophobicContact CB-CD1 4.16Å; L70-Y76 HydrophobicContact CB-CE1 4.43Å; L70-Y76 HydrophobicContact CD1-CE1 4.37Å; L70-I105 HydrophobicContact CD1-CD1 3.69Å; L70-I105 HydrophobicContact CD1-CG1 4.2Å; L70-I105 HydrophobicContact CD1-CG2 3.74Å; L70-D209 WeakPolarHBondContact CD2-O 3.34Å
71L93.2Very high87.1Confident17 Ų1748.5 Ų48.59%0.08927%0.271CS..PPolyproline II helixtrans-70.5151.3172.8-63.4173.3000110.4T73 T164 A167 L168 I210 V212L71-T73 PolarHBondContact O-N 3.05Å; L71-T164 HydrophobicContact CD2-CG2 4.06Å; L71-A167 HydrophobicContact CD1-CB 3.68Å; L71-A167 HydrophobicContact CD2-CB 4.36Å; L71-L168 HydrophobicContact CD2-CD2 3.62Å; L71-L168 HydrophobicContact CD2-CG 3.66Å; L71-I210 WeakPolarHBondContact CB-O 3.42Å; L71-I210 HydrophobicContact CD1-CD1 4.09Å; L71-I210 HydrophobicContact CD1-CG1 4.13Å; L71-I210 HydrophobicContact CD2-CD1 4.45Å; L71-I210 HydrophobicContact CG-CB 4.38Å; L71-I210 HydrophobicContact CG-CD1 4.21Å; L71-I210 HydrophobicContact CG-CG1 4.25Å; L71-I210 VanDerWaalsContact CG-O 3.27Å; L71-I210 WeakPolarHBondContact CG-O 3.44Å; L71-I210 PolarHBondContact N-O 3.43Å; L71-V212 HydrophobicContact CD1-CG2 3.54Å
72P87.6Confident87.2Confident30 Ų3054.4 Ų54.420%0.19530%0.296CS..SBendtrans-7190.2172.631.4-36.8000110.3P41 W47 L168P41-P72 HydrophobicContact CB-CB 3.81Å; P41-P72 HydrophobicContact CB-CG 3.77Å; W47-P72 HydrophobicContact CD2-CG 4.03Å; W47-P72 HydrophobicContact CG-CG 4.37Å; W47-P72 HydrophobicContact CH2-CB 4.23Å; W47-P72 HydrophobicContact CH2-CG 4.45Å; W47-P72 HydrophobicContact CZ2-CB 3.52Å; W47-P72 HydrophobicContact CZ2-CG 3.79Å; P72-L168 HydrophobicContact CG-CD2 4.29Å
73T81.7Confident87.3Confident39 Ų3954.7 Ų54.724%0.23930%0.297CS..  trans-129.7150.5178.3-179.60000110.6L71 K75 Y76L71-T73 PolarHBondContact O-N 3.05Å; T73-K75 WeakPolarHBondContact CG2-O 3.36Å; T73-K75 PolarHBondContact OG1-N 3.39Å; T73-K75 PolarHBondContact OG1-O 2.91Å; T73-Y76 HydrophobicContact CG2-CD1 3.62Å; T73-Y76 HydrophobicContact CG2-CE1 3.59Å; T73-Y76 HydrophobicContact CG2-CG 4.2Å; T73-Y76 WeakPolarHBondContact O-CE2 3.47Å; T73-Y76 PolarHBondContact O-OH 3.27Å
74T71.1Confident87.6Confident142 Ų14252.6 Ų52.687%0.87128%0.281SS*.SBendtrans-88.9-12.1169.855.30000112.6
75K79.1Confident88Confident152 Ų15247.8 Ų47.866%0.66125%0.247SC*.SBendtrans-119.7100.2177.5-65.8-177.4-179.1179.30108.3T73 Q213T73-K75 WeakPolarHBondContact CG2-O 3.36Å; T73-K75 PolarHBondContact OG1-N 3.39Å; T73-K75 PolarHBondContact OG1-O 2.91Å; K75-Q213 PolarHBondContact O-NE2 3.3Å
76Y77.9Confident88.1Confident60 Ų6047.4 Ų47.424%0.23525%0.245CC..PPolyproline II helixtrans-81.4132.7173.7-67.5-75.6000110.2L70 T73 I105L70-Y76 HydrophobicContact CB-CE1 4.43Å; L70-Y76 HydrophobicContact CD1-CE1 4.37Å; T73-Y76 HydrophobicContact CG2-CD1 3.62Å; T73-Y76 HydrophobicContact CG2-CE1 3.59Å; T73-Y76 HydrophobicContact CG2-CG 4.2Å; T73-Y76 WeakPolarHBondContact O-CE2 3.47Å; T73-Y76 PolarHBondContact O-OH 3.27Å; Y76-I105 HydrophobicContact CD1-CG1 4.24Å; Y76-I105 HydrophobicContact CD1-CG2 4.27Å; Y76-I105 HydrophobicContact CD2-CB 4.38Å; Y76-I105 HydrophobicContact CD2-CG1 3.86Å; Y76-I105 HydrophobicContact CE1-CG1 4.09Å; Y76-I105 HydrophobicContact CE2-CG1 3.69Å; Y76-I105 HydrophobicContact CG-CB 4.37Å; Y76-I105 HydrophobicContact CG-CG1 4.13Å; Y76-I105 HydrophobicContact CG-CG2 4.33Å
77T79.4Confident88.1Confident25 Ų2544.4 Ų44.415%0.15323%0.229CC..PPolyproline II helixtrans-69141.7160.635.40000108.8P79 S208 G211T77-P79 WeakPolarHBondContact O-CD 3.28Å; T77-P79 VanDerWaalsContact O-N 3.14Å; T77-S208 PolarHBondContact OG1-O 2.93Å; T77-G211 WeakPolarHBondContact OG1-CA 3.3Å
78K82.2Confident87.9Confident150 Ų15044.4 Ų44.465%0.65223%0.229SC*.PPolyproline II helixtrans-53.2122.5174.5-177.1179.7179.1177.30109.5
79P83.4Confident87.3Confident9 Ų944.4 Ų44.46%0.05823%0.229CC..PPolyproline II helixtrans-58.8150.5177.9-26.135.4000111.9F34 T77 V81 F83 I105 D106F34-P79 HydrophobicContact CE1-CB 4.19Å; F34-P79 HydrophobicContact CZ-CB 3.9Å; T77-P79 WeakPolarHBondContact O-CD 3.28Å; T77-P79 VanDerWaalsContact O-N 3.14Å; P79-V81 WeakPolarHBondContact CB-O 3.48Å; P79-V81 PolarHBondContact O-N 3.23Å; P79-F83 HydrophobicContact CB-CE1 4.42Å; P79-F83 HydrophobicContact CG-CE1 4.25Å; P79-F83 HydrophobicContact CG-CZ 4.05Å; P79-I105 WeakPolarHBondContact CD-O 3.44Å; P79-I105 HydrophobicContact CG-CG2 4.29Å; P79-D106 HydrophobicContact CG-CB 4.32Å
80S85.5Confident86.2Confident65 Ų6550.1 Ų50.146%0.45526%0.256SS..SBendtrans-67.1-15.5178.259.80000114.1K32 D209K32-S80 PolarHBondContact NZ-OG 3.36Å; S80-D209 WeakPolarHBondContact CB-OD1 3.49Å; S80-D209 PolarHBondContact N-OD1 3.33Å; S80-D209 VanDerWaalsContact OG-CG 3.26Å; S80-D209 PolarHBondContact OG-OD1 3.44Å; S80-D209 PolarHBondContact OG-OD2 3.47Å
81V88.9Confident85.2Confident57 Ų5755.2 Ų55.235%0.34529%0.292SS..SBendtrans-137.8141.2173.5-59.10000108.8K32 F34 P79K32-V81 HydrophobicContact CB-CG2 4.43Å; K32-V81 HydrophobicContact CD-CG2 3.64Å; F34-V81 HydrophobicContact CE2-CG2 3.77Å; F34-V81 HydrophobicContact CZ-CG2 4.15Å; P79-V81 WeakPolarHBondContact CB-O 3.48Å; P79-V81 PolarHBondContact O-N 3.23Å
82K90.3Very high84.6Confident133 Ų13357.6 Ų57.658%0.57830%0.303SS*.  trans-63.8155.4171.468.8177.1-173.3172.50110.6S4 D106S4-K82 PolarHBondContact OG-O 2.98Å; K82-D106 WeakPolarHBondContact CA-OD2 3.5Å
83F91.8Very high84.6Confident6 Ų658 Ų583%0.02630%0.301CS..  trans-79.4130.2170.8-49.8-36.9000111L6 F34 P79 I105 D106 Y109L6-F83 HydrophobicContact CB-CD1 4.31Å; L6-F83 HydrophobicContact CB-CD2 3.96Å; L6-F83 HydrophobicContact CB-CE1 4.45Å; L6-F83 HydrophobicContact CB-CE2 4.09Å; L6-F83 HydrophobicContact CB-CG 4.08Å; L6-F83 HydrophobicContact CB-CZ 4.32Å; L6-F83 HydrophobicContact CD1-CZ 4.44Å; L6-F83 HydrophobicContact CD2-CD2 4.17Å; L6-F83 HydrophobicContact CD2-CE2 3.81Å; L6-F83 HydrophobicContact CD2-CZ 4.44Å; L6-F83 HydrophobicContact CG-CE2 4.38Å; F34-F83 HydrophobicContact CB-CE1 4.14Å; F34-F83 HydrophobicContact CD1-CE1 4.37Å; F34-F83 AromaticContact CD2-CD1 3.84Å; F34-F83 HydrophobicContact CD2-CD1 3.84Å; F34-F83 AromaticContact CD2-CE1 3.33Å; F34-F83 HydrophobicContact CD2-CE1 3.33Å; F34-F83 HydrophobicContact CD2-CZ 4.38Å; F34-F83 HydrophobicContact CE2-CD1 4.12Å; F34-F83 AromaticContact CE2-CE1 3.66Å; F34-F83 HydrophobicContact CE2-CE1 3.66Å; F34-F83 AromaticContact CG-CE1 3.71Å; F34-F83 HydrophobicContact CG-CE1 3.71Å; F34-F83 HydrophobicContact CG-CZ 4.36Å; F34-F83 HydrophobicContact CZ-CE1 4.29Å; P79-F83 HydrophobicContact CB-CE1 4.42Å; P79-F83 HydrophobicContact CG-CE1 4.25Å; P79-F83 HydrophobicContact CG-CZ 4.05Å; F83-I105 HydrophobicContact CE2-CB 4.08Å; F83-I105 HydrophobicContact CE2-CG2 3.85Å; F83-I105 HydrophobicContact CZ-CB 4.31Å; F83-I105 HydrophobicContact CZ-CG2 3.56Å; F83-D106 HydrophobicContact CD2-CB 3.64Å; F83-D106 HydrophobicContact CE2-CB 3.45Å; F83-D106 VanDerWaalsContact CE2-CB 3.45Å; F83-D106 HydrophobicContact CG-CB 4.34Å; F83-D106 HydrophobicContact CZ-CB 4Å; F83-D106 PolarHBondContact N-OD2 2.81Å; F83-Y109 HydrophobicContact CB-CD2 3.65Å; F83-Y109 HydrophobicContact CB-CE2 4.06Å; F83-Y109 HydrophobicContact CB-CG 4.5Å; F83-Y109 HydrophobicContact CD2-CD2 4.38Å; F83-Y109 HydrophobicContact CD2-CG 4.46Å
84D93Very high85Confident41 Ų4159.3 Ų59.322%0.21931%0.312CS..SBendtrans-85.9-21.6171.3-55.3-56.1000112.3Y2 Q3 S4Y2-D84 HydrophobicContact CD1-CB 3.78Å; Y2-D84 HydrophobicContact CG-CB 4.26Å; Q3-D84 WeakPolarHBondContact CA-OD2 3.42Å; Q3-D84 VanDerWaalsContact CB-OD2 3.31Å; Q3-D84 WeakPolarHBondContact CB-OD2 3Å; Q3-D84 PolarHBondContact N-OD2 2.93Å; S4-D84 PolarHBondContact N-OD2 3.31Å; S4-D84 WeakPolarHBondContact O-CB 3.47Å; S4-D84 PolarHBondContact O-N 2.96Å; S4-D84 VanDerWaalsContact O-N 3.15Å; S4-D84 VanDerWaalsContact OG-CG 3.3Å; S4-D84 PolarHBondContact OG-N 3.36Å; S4-D84 PolarHBondContact OG-OD2 3.35Å
85I94.1Very high85.8Confident0 Ų056 Ų560%029%0.294CS..EExtended strand (participates in β ladder)trans-156.6143.8-175.3-176167.2000111.4Y2 G5 L6 V28 V29 I87 I114Y2-I85 HydrophobicContact CD1-CB 4.37Å; Y2-I85 HydrophobicContact CD2-CB 4.08Å; Y2-I85 HydrophobicContact CD2-CD1 3.71Å; Y2-I85 HydrophobicContact CD2-CG2 3.9Å; Y2-I85 HydrophobicContact CE2-CB 4.35Å; Y2-I85 HydrophobicContact CE2-CD1 3.47Å; Y2-I85 VanDerWaalsContact CE2-CD1 3.47Å; Y2-I85 HydrophobicContact CE2-CG1 4.45Å; Y2-I85 HydrophobicContact CG-CB 4.07Å; Y2-I85 HydrophobicContact CG-CG2 3.84Å; G5-I85 CarbonylContact C-O 3.6Å; G5-I85 WeakPolarHBondContact CA-O 3.2Å; L6-I85 PolarHBondContact N-O 2.78Å; V28-I85 HydrophobicContact CG1-CD1 3.81Å; V29-I85 HydrophobicContact CG2-CG2 4.02Å; I85-I87 HydrophobicContact CD1-CG1 4.27Å; I85-I87 HydrophobicContact CG1-CG1 4.19Å; I85-I114 HydrophobicContact CD1-CB 3.96Å; I85-I114 HydrophobicContact CD1-CD1 3.23Å; I85-I114 HydrophobicContact CD1-CG1 3.44Å; I85-I114 VanDerWaalsContact CD1-CG1 3.44Å; I85-I114 HydrophobicContact CG1-CD1 4.4Å; I85-I114 HydrophobicContact CG1-CG1 4.16Å
86V94.2Very high86.3Confident0 Ų053.6 Ų53.60%029%0.291CS..EExtended strand (participates in β ladder)trans-108.8135.7165.2174.40000109.9L6 I8 I98 A102 Y109 R112 V113 I114L6-V86 HydrophobicContact CB-CG2 4.03Å; L6-V86 HydrophobicContact CD2-CG2 4.14Å; L6-V86 CarbonylContact O-C 3.53Å; L6-V86 WeakPolarHBondContact O-CA 3.44Å; I8-V86 HydrophobicContact CD1-CG1 4.17Å; I8-V86 HydrophobicContact CG1-CG1 4.28Å; V86-I98 HydrophobicContact CG1-CG2 3.49Å; V86-I98 VanDerWaalsContact CG1-CG2 3.49Å; V86-A102 HydrophobicContact CG2-CB 3.57Å; V86-Y109 HydrophobicContact CB-CE1 4.28Å; V86-Y109 VanDerWaalsContact CB-OH 3.25Å; V86-Y109 WeakPolarHBondContact CB-OH 3.44Å; V86-Y109 HydrophobicContact CG2-CD1 4.2Å; V86-Y109 HydrophobicContact CG2-CD2 4.37Å; V86-Y109 HydrophobicContact CG2-CE1 3.43Å; V86-Y109 VanDerWaalsContact CG2-CE1 3.43Å; V86-Y109 HydrophobicContact CG2-CE2 3.65Å; V86-Y109 WeakPolarHBondContact CG2-OH 3.29Å; V86-Y109 PolarHBondContact N-OH 3.42Å; V86-R112 PolarHBondContact N-O 2.95Å; V86-V113 HydrophobicContact CB-CG2 4.36Å; V86-V113 WeakPolarHBondContact O-CA 3.42Å; V86-I114 PolarHBondContact O-N 2.94Å
87I93.4Very high87Confident0 Ų054.8 Ų54.80%030%0.295CS..EExtended strand (participates in β ladder)trans-118.6131.8178.9-54.7170.5000107.9L6 L7 I8 Y24 V25 V28 V29 I85 I114 A116L6-I87 PolarHBondContact O-N 3.1Å; L7-I87 WeakPolarHBondContact CA-O 3.46Å; L7-I87 HydrophobicContact CD1-CB 4.02Å; L7-I87 HydrophobicContact CD1-CG2 3.84Å; I8-I87 PolarHBondContact N-O 3.24Å; Y24-I87 HydrophobicContact CD1-CG2 4.4Å; Y24-I87 HydrophobicContact CE1-CG2 4.28Å; V25-I87 HydrophobicContact CB-CD1 4.34Å; V25-I87 HydrophobicContact CG1-CD1 4.21Å; V25-I87 HydrophobicContact CG2-CD1 3.71Å; V25-I87 HydrophobicContact CG2-CG2 4.43Å; V28-I87 HydrophobicContact CG1-CD1 4.26Å; V29-I87 HydrophobicContact CG2-CD1 4.17Å; I85-I87 HydrophobicContact CD1-CG1 4.27Å; I85-I87 HydrophobicContact CG1-CG1 4.19Å; I87-I114 WeakPolarHBondContact CA-O 3.42Å; I87-A116 HydrophobicContact CG2-CB 3.96Å
88S90.8Very high87.5Confident0 Ų053.6 Ų53.60%029%0.288CS..EExtended strand (participates in β ladder)trans-141.7147.7176-176.80000110.4E90 F93 I114 Y115 A116S88-E90 PolarHBondContact O-N 2.95Å; S88-F93 WeakPolarHBondContact OG-CD2 3.49Å; S88-I114 PolarHBondContact N-O 3.33Å; S88-Y115 WeakPolarHBondContact O-CA 3.35Å; S88-A116 PolarHBondContact O-N 3.01Å
89P84.4Confident88Confident0 Ų048.4 Ų48.40%027%0.267CS..EExtended strand (participates in β ladder)trans-59133165.3-23.536000110.6I8 L21 S91 E92I8-P89 WeakPolarHBondContact O-CD 3.5Å; L21-P89 HydrophobicContact CD1-CG 4.07Å; L21-P89 HydrophobicContact CD2-CG 4.25Å; P89-S91 VanDerWaalsContact C-N 3.32Å; P89-S91 PolarHBondContact O-N 3.36Å; P89-E92 HydrophobicContact CB-CB 4.34Å; P89-E92 HydrophobicContact CB-CG 3.97Å; P89-E92 WeakPolarHBondContact CG-OE2 3.03Å; P89-E92 PolarHBondContact O-N 3.41Å
90E74Confident88.3Confident120 Ų12052.3 Ų52.356%0.56129%0.287SS*.THydrogen-bonded Turntrans-60.3-36.3-171.2-167.4172.2-172.800114.1S88 Y115S88-E90 PolarHBondContact O-N 2.95Å; E90-Y115 HydrophobicContact CG-CG 4.34Å
91S73.3Confident88.6Confident113 Ų11350.5 Ų50.579%0.7927%0.272SS*.THydrogen-bonded Turntrans-93.20.9-171.455.30000115.3P89P89-S91 VanDerWaalsContact C-N 3.32Å; P89-S91 PolarHBondContact O-N 3.36Å
92E80.7Confident88.7Confident67 Ų6747.8 Ų47.831%0.31326%0.255SS..THydrogen-bonded Turntrans-105.8-28.7-167.7-63.9-16313900114.9S10 K17 P89S10-E92 VanDerWaalsContact CB-CD 3.48Å; S10-E92 WeakPolarHBondContact CB-OE1 3.44Å; S10-E92 VanDerWaalsContact CB-OE2 3.23Å; S10-E92 WeakPolarHBondContact CB-OE2 3.43Å; S10-E92 PolarHBondContact OG-OE1 3.49Å; S10-E92 PolarHBondContact OG-OE2 3.23Å; K17-E92 IonicContact NZ-OE1 2.67Å; K17-E92 PolarHBondContact NZ-OE1 3.15Å; K17-E92 IonicContact NZ-OE2 3.42Å; K17-E92 PolarHBondContact NZ-OE2 3.15Å; P89-E92 HydrophobicContact CB-CB 4.34Å; P89-E92 HydrophobicContact CB-CG 3.97Å; P89-E92 WeakPolarHBondContact CG-OE2 3.03Å; P89-E92 PolarHBondContact O-N 3.41Å
93F87.1Confident88.8Confident38 Ų3844.5 Ų44.517%0.16724%0.242CC..SBendtrans-141.4143.6-172.8-57.3-74.9000111.2I8 P38 S88 W97 I98I8-F93 HydrophobicContact CG2-CD2 4.04Å; I8-F93 HydrophobicContact CG2-CE2 3.77Å; I8-F93 HydrophobicContact CG2-CZ 4.14Å; P38-F93 HydrophobicContact CG-CE1 3.69Å; P38-F93 HydrophobicContact CG-CZ 3.75Å; S88-F93 WeakPolarHBondContact OG-CD2 3.49Å; F93-W97 HydrophobicContact CB-CE3 3.93Å; F93-W97 HydrophobicContact CB-CZ3 4.33Å; F93-W97 HydrophobicContact CD1-CD2 4.4Å; F93-W97 AromaticContact CD1-CE3 3.7Å; F93-W97 HydrophobicContact CD1-CE3 3.7Å; F93-W97 HydrophobicContact CD1-CH2 4.17Å; F93-W97 AromaticContact CD1-CZ3 3.57Å; F93-W97 HydrophobicContact CD1-CZ3 3.57Å; F93-W97 HydrophobicContact CE1-CE3 4.48Å; F93-W97 HydrophobicContact CE1-CH2 4.16Å; F93-W97 AromaticContact CE1-CZ3 3.96Å; F93-W97 HydrophobicContact CE1-CZ3 3.96Å; F93-W97 AromaticContact CG-CE3 3.99Å; F93-W97 HydrophobicContact CG-CE3 3.99Å; F93-W97 AromaticContact CG-CZ3 3.93Å; F93-W97 HydrophobicContact CG-CZ3 3.93Å; F93-I98 HydrophobicContact CB-CD1 3.89Å; F93-I98 HydrophobicContact CB-CG1 3.65Å
94S89.9Confident88.7Confident68 Ų6849.1 Ų49.148%0.47627%0.267SS..  trans-71.2146.9175.675.20000110.9V96 W97 I98S94-V96 PolarHBondContact O-N 2.87Å; S94-W97 PolarHBondContact O-N 3.42Å; S94-W97 VanDerWaalsContact O-N 3.11Å; S94-W97 VanDerWaalsContact OG-CB 3.3Å; S94-W97 WeakPolarHBondContact OG-CB 3.34Å; S94-W97 PolarHBondContact OG-N 3.29Å; S94-I98 WeakPolarHBondContact O-CG1 3.11Å; S94-I98 PolarHBondContact O-N 3.29Å
95P87.7Confident88.6Confident73 Ų7347.3 Ų47.347%0.47426%0.257SS..Hα-helixtrans-52.2-41.9176.9-27.532.5000113.6I98 L99 Y115P95-I98 PolarHBondContact O-N 3.48Å; P95-L99 WeakPolarHBondContact O-CG 3.35Å; P95-L99 PolarHBondContact O-N 3.09Å; P95-L99 VanDerWaalsContact O-N 3.09Å; P95-Y115 WeakPolarHBondContact CA-OH 3.18Å; P95-Y115 WeakPolarHBondContact CB-OH 3.49Å; P95-Y115 VanDerWaalsContact CG-OH 3.24Å; P95-Y115 WeakPolarHBondContact CG-OH 3.43Å
96V90.4Very high88.4Confident100 Ų10047.4 Ų47.461%0.60626%0.258SS*.Hα-helixtrans-65.2-43.4-179.6177.70000111.1S94 L99 N100S94-V96 PolarHBondContact O-N 2.87Å; V96-L99 PolarHBondContact O-N 3.25Å; V96-N100 VanDerWaalsContact O-CG 3.29Å; V96-N100 PolarHBondContact O-N 3.3Å; V96-N100 PolarHBondContact O-ND2 3.41Å
97W91.7Very high88.1Confident85 Ų8552 Ų5232%0.32229%0.287SS..Hα-helixtrans-66.1-42.7179-176.691.7000111.3I8 P38 F93 S94 L99 N100 E101I8-W97 HydrophobicContact CD1-CZ3 4.18Å; I8-W97 HydrophobicContact CG2-CH2 4.31Å; I8-W97 HydrophobicContact CG2-CZ3 3.87Å; P38-W97 HydrophobicContact CB-CH2 3.72Å; P38-W97 HydrophobicContact CB-CZ2 3.82Å; P38-W97 HydrophobicContact CG-CH2 3.75Å; P38-W97 HydrophobicContact CG-CZ2 4.25Å; F93-W97 HydrophobicContact CB-CE3 3.93Å; F93-W97 HydrophobicContact CB-CZ3 4.33Å; F93-W97 HydrophobicContact CD1-CD2 4.4Å; F93-W97 AromaticContact CD1-CE3 3.7Å; F93-W97 HydrophobicContact CD1-CE3 3.7Å; F93-W97 HydrophobicContact CD1-CH2 4.17Å; F93-W97 AromaticContact CD1-CZ3 3.57Å; F93-W97 HydrophobicContact CD1-CZ3 3.57Å; F93-W97 HydrophobicContact CE1-CE3 4.48Å; F93-W97 HydrophobicContact CE1-CH2 4.16Å; F93-W97 AromaticContact CE1-CZ3 3.96Å; F93-W97 HydrophobicContact CE1-CZ3 3.96Å; F93-W97 AromaticContact CG-CE3 3.99Å; F93-W97 HydrophobicContact CG-CE3 3.99Å; F93-W97 AromaticContact CG-CZ3 3.93Å; F93-W97 HydrophobicContact CG-CZ3 3.93Å; S94-W97 PolarHBondContact O-N 3.42Å; S94-W97 VanDerWaalsContact O-N 3.11Å; S94-W97 VanDerWaalsContact OG-CB 3.3Å; S94-W97 WeakPolarHBondContact OG-CB 3.34Å; S94-W97 PolarHBondContact OG-N 3.29Å; W97-L99 VanDerWaalsContact C-N 3.32Å; W97-L99 PolarHBondContact O-N 3.41Å; W97-N100 PolarHBondContact O-N 3.21Å; W97-E101 HydrophobicContact CE3-CB 4.37Å; W97-E101 HydrophobicContact CH2-CB 4.02Å; W97-E101 HydrophobicContact CH2-CG 3.8Å; W97-E101 HydrophobicContact CZ2-CB 4.29Å; W97-E101 HydrophobicContact CZ2-CG 4.22Å; W97-E101 HydrophobicContact CZ3-CB 4.06Å; W97-E101 HydrophobicContact CZ3-CG 4.22Å; W97-E101 WeakPolarHBondContact O-CB 3.4Å; W97-E101 PolarHBondContact O-N 3.02Å
98I91.2Very high87.8Confident0 Ų057.4 Ų57.40%032%0.316CS..Hα-helixtrans-56.9-47176.6-68.6162.4000110.9I8 V86 F93 S94 P95 E101 A102 V113 Y115I8-I98 HydrophobicContact CD1-CB 4.39Å; I8-I98 HydrophobicContact CD1-CG1 4.45Å; I8-I98 HydrophobicContact CD1-CG2 3.96Å; V86-I98 HydrophobicContact CG1-CG2 3.49Å; V86-I98 VanDerWaalsContact CG1-CG2 3.49Å; F93-I98 HydrophobicContact CB-CD1 3.89Å; F93-I98 HydrophobicContact CB-CG1 3.65Å; S94-I98 WeakPolarHBondContact O-CG1 3.11Å; S94-I98 PolarHBondContact O-N 3.29Å; P95-I98 PolarHBondContact O-N 3.48Å; I98-E101 PolarHBondContact O-N 3.03Å; I98-A102 WeakPolarHBondContact O-CB 3.27Å; I98-A102 PolarHBondContact O-N 3.37Å; I98-V113 HydrophobicContact CG2-CG1 3.93Å; I98-V113 HydrophobicContact CG2-CG2 3.97Å; I98-Y115 HydrophobicContact CD1-CE1 3.64Å
99L91.3Very high87.7Confident41 Ų4157.9 Ų57.922%0.21532%0.318CS..Hα-helixtrans-62.9-45178.6-73.7173.7000111.6P95 V96 W97 E101 A102 H103 Y109 D111 V113P95-L99 WeakPolarHBondContact O-CG 3.35Å; P95-L99 PolarHBondContact O-N 3.09Å; P95-L99 VanDerWaalsContact O-N 3.09Å; V96-L99 PolarHBondContact O-N 3.25Å; W97-L99 VanDerWaalsContact C-N 3.32Å; W97-L99 PolarHBondContact O-N 3.41Å; L99-E101 PolarHBondContact O-N 3.38Å; L99-A102 PolarHBondContact O-N 3.43Å; L99-H103 PolarHBondContact O-N 3.11Å; L99-H103 PolarHBondContact O-ND1 3.03Å; L99-Y109 HydrophobicContact CD2-CE1 4.1Å; L99-D111 HydrophobicContact CD2-CB 4.06Å; L99-V113 HydrophobicContact CD2-CG2 3.47Å; L99-V113 VanDerWaalsContact CD2-CG2 3.47Å; L99-V113 HydrophobicContact CG-CG2 4.02Å
100N91.3Very high87.8Confident91 Ų9159.8 Ų59.849%0.48734%0.337SS..Hα-helixtrans-61.6-44.5177.7-72.5-17.4000111.6V96 W97 H103 N104V96-N100 VanDerWaalsContact O-CG 3.29Å; V96-N100 PolarHBondContact O-N 3.3Å; V96-N100 PolarHBondContact O-ND2 3.41Å; W97-N100 PolarHBondContact O-N 3.21Å; N100-H103 PolarHBondContact O-N 2.81Å; N100-N104 WeakPolarHBondContact O-CB 3.35Å; N100-N104 PolarHBondContact O-N 2.82Å; N100-N104 PolarHBondContact O-ND2 2.75Å; N100-N104 PolarHBondContact O-OD1 2.79Å
101E90.6Very high88.3Confident28 Ų2859.7 Ų59.713%0.13134%0.341CS..Hα-helixtrans-64-43.1178.8-173.264.1-177.400111.6I8 W97 I98 L99 H103 N104 I105I8-E101 HydrophobicContact CD1-CB 4.27Å; I8-E101 HydrophobicContact CD1-CG 4.24Å; W97-E101 HydrophobicContact CE3-CB 4.37Å; W97-E101 HydrophobicContact CH2-CB 4.02Å; W97-E101 HydrophobicContact CH2-CG 3.8Å; W97-E101 HydrophobicContact CZ2-CB 4.29Å; W97-E101 HydrophobicContact CZ2-CG 4.22Å; W97-E101 HydrophobicContact CZ3-CB 4.06Å; W97-E101 HydrophobicContact CZ3-CG 4.22Å; W97-E101 WeakPolarHBondContact O-CB 3.4Å; W97-E101 PolarHBondContact O-N 3.02Å; I98-E101 PolarHBondContact O-N 3.03Å; L99-E101 PolarHBondContact O-N 3.38Å; E101-H103 PolarHBondContact O-N 2.82Å; E101-N104 WeakPolarHBondContact O-CB 3.49Å; E101-N104 PolarHBondContact O-N 2.83Å; E101-I105 HydrophobicContact CG-CD1 4.25Å; E101-I105 WeakPolarHBondContact O-CG1 3.33Å; E101-I105 PolarHBondContact O-N 3.46Å
102A92.2Very high88.9Confident0 Ų062.1 Ų62.10%033%0.333CS..Hα-helixtrans-61.9-42.1175.500000112.4L6 V86 I98 L99 I105 D106 Y109L6-A102 HydrophobicContact CD2-CB 4.05Å; V86-A102 HydrophobicContact CG2-CB 3.57Å; I98-A102 WeakPolarHBondContact O-CB 3.27Å; I98-A102 PolarHBondContact O-N 3.37Å; L99-A102 PolarHBondContact O-N 3.43Å; A102-I105 PolarHBondContact O-N 2.81Å; A102-D106 PolarHBondContact O-N 2.66Å; A102-Y109 HydrophobicContact CB-CD1 3.39Å; A102-Y109 HydrophobicContact CB-CE1 3.56Å; A102-Y109 HydrophobicContact CB-CG 4.22Å
103H91Very high89.3Confident63 Ų6360.5 Ų60.529%0.29233%0.327SS..Hα-helixtrans-67.3-33.4175.3-78.387.9000113L99 N100 E101 I105 D106 P107 Y109 D111L99-H103 PolarHBondContact O-N 3.11Å; L99-H103 PolarHBondContact O-ND1 3.03Å; N100-H103 PolarHBondContact O-N 2.81Å; E101-H103 PolarHBondContact O-N 2.82Å; H103-I105 VanDerWaalsContact C-N 3.27Å; H103-I105 PolarHBondContact O-N 3.25Å; H103-D106 CarbonylContact O-C 3.56Å; H103-D106 VanDerWaalsContact O-C 3.32Å; H103-P107 VanDerWaalsContact O-CA 3.3Å; H103-P107 WeakPolarHBondContact O-CA 3.47Å; H103-P107 VanDerWaalsContact O-N 3.16Å; H103-Y109 PolarHBondContact NE2-O 3.4Å; H103-D111 IonicContact CE1-OD1 2.56Å; H103-D111 PolarHBondContact CE1-OD1 3.43Å
104N90.1Very high89.3Confident104 Ų10461.1 Ų61.156%0.55633%0.331SS*.Hα-helixtrans-63.7-35.7175.1-72.3-23.8000111.7N100 E101N100-N104 WeakPolarHBondContact O-CB 3.35Å; N100-N104 PolarHBondContact O-N 2.82Å; N100-N104 PolarHBondContact O-ND2 2.75Å; N100-N104 PolarHBondContact O-OD1 2.79Å; E101-N104 WeakPolarHBondContact O-CB 3.49Å; E101-N104 PolarHBondContact O-N 2.83Å
105I90.3Very high89Confident3 Ų361.3 Ų61.32%0.01532%0.322CS..Hα-helixtrans-82.8-46.6179.4-59.7160.4000111L6 A36 L70 Y76 P79 F83 E101 A102 H103L6-I105 HydrophobicContact CD1-CD1 4.37Å; L6-I105 HydrophobicContact CD2-CD1 3.89Å; A36-I105 HydrophobicContact CB-CD1 4.12Å; L70-I105 HydrophobicContact CD1-CD1 3.69Å; L70-I105 HydrophobicContact CD1-CG1 4.2Å; L70-I105 HydrophobicContact CD1-CG2 3.74Å; Y76-I105 HydrophobicContact CD1-CG1 4.24Å; Y76-I105 HydrophobicContact CD1-CG2 4.27Å; Y76-I105 HydrophobicContact CD2-CB 4.38Å; Y76-I105 HydrophobicContact CD2-CG1 3.86Å; Y76-I105 HydrophobicContact CE1-CG1 4.09Å; Y76-I105 HydrophobicContact CE2-CG1 3.69Å; Y76-I105 HydrophobicContact CG-CB 4.37Å; Y76-I105 HydrophobicContact CG-CG1 4.13Å; Y76-I105 HydrophobicContact CG-CG2 4.33Å; P79-I105 WeakPolarHBondContact CD-O 3.44Å; P79-I105 HydrophobicContact CG-CG2 4.29Å; F83-I105 HydrophobicContact CE2-CB 4.08Å; F83-I105 HydrophobicContact CE2-CG2 3.85Å; F83-I105 HydrophobicContact CZ-CB 4.31Å; F83-I105 HydrophobicContact CZ-CG2 3.56Å; E101-I105 HydrophobicContact CG-CD1 4.25Å; E101-I105 WeakPolarHBondContact O-CG1 3.33Å; E101-I105 PolarHBondContact O-N 3.46Å; A102-I105 PolarHBondContact O-N 2.81Å; H103-I105 VanDerWaalsContact C-N 3.27Å; H103-I105 PolarHBondContact O-N 3.25Å
106D90.7Very high88.7Confident2 Ų258 Ų581%0.01130%0.301CS..  trans-129.596.4177.4-18015.7000110.2P79 K82 F83 A102 H103 L108 Y109P79-D106 HydrophobicContact CG-CB 4.32Å; K82-D106 WeakPolarHBondContact CA-OD2 3.5Å; F83-D106 HydrophobicContact CD2-CB 3.64Å; F83-D106 HydrophobicContact CE2-CB 3.45Å; F83-D106 VanDerWaalsContact CE2-CB 3.45Å; F83-D106 HydrophobicContact CG-CB 4.34Å; F83-D106 HydrophobicContact CZ-CB 4Å; F83-D106 PolarHBondContact N-OD2 2.81Å; A102-D106 PolarHBondContact O-N 2.66Å; H103-D106 CarbonylContact O-C 3.56Å; H103-D106 VanDerWaalsContact O-C 3.32Å; D106-L108 PolarHBondContact O-N 3.42Å; D106-L108 PolarHBondContact OD1-N 2.93Å; D106-Y109 WeakPolarHBondContact O-CB 3.33Å; D106-Y109 PolarHBondContact O-N 2.86Å
107P88.5Confident87.6Confident95 Ų9556.9 Ų56.962%0.61730%0.295SS*.THydrogen-bonded Turntrans-62-12.1-180-26.535.2000115.1H103H103-P107 VanDerWaalsContact O-CA 3.3Å; H103-P107 WeakPolarHBondContact O-CA 3.47Å; H103-P107 VanDerWaalsContact O-N 3.16Å
108L86.7Confident86.3Confident115 Ų11555.6 Ų55.660%0.60229%0.293SS*.THydrogen-bonded Turntrans-95.41.9176.8-60.7178.4000112.9D106D106-L108 PolarHBondContact O-N 3.42Å; D106-L108 PolarHBondContact OD1-N 2.93Å
109Y88.9Confident84.3Confident9 Ų961.3 Ų61.34%0.03532%0.324CS..  trans-62.3144174.2-179.4-119.1000110.6F83 V86 L99 A102 H103 D106 R112F83-Y109 HydrophobicContact CB-CD2 3.65Å; F83-Y109 HydrophobicContact CB-CE2 4.06Å; F83-Y109 HydrophobicContact CB-CG 4.5Å; F83-Y109 HydrophobicContact CD2-CD2 4.38Å; F83-Y109 HydrophobicContact CD2-CG 4.46Å; V86-Y109 HydrophobicContact CB-CE1 4.28Å; V86-Y109 VanDerWaalsContact CB-OH 3.25Å; V86-Y109 WeakPolarHBondContact CB-OH 3.44Å; V86-Y109 HydrophobicContact CG2-CD1 4.2Å; V86-Y109 HydrophobicContact CG2-CD2 4.37Å; V86-Y109 HydrophobicContact CG2-CE1 3.43Å; V86-Y109 VanDerWaalsContact CG2-CE1 3.43Å; V86-Y109 HydrophobicContact CG2-CE2 3.65Å; V86-Y109 WeakPolarHBondContact CG2-OH 3.29Å; V86-Y109 PolarHBondContact N-OH 3.42Å; L99-Y109 HydrophobicContact CD2-CE1 4.1Å; A102-Y109 HydrophobicContact CB-CD1 3.39Å; A102-Y109 HydrophobicContact CB-CE1 3.56Å; A102-Y109 HydrophobicContact CB-CG 4.22Å; H103-Y109 PolarHBondContact NE2-O 3.4Å; D106-Y109 WeakPolarHBondContact O-CB 3.33Å; D106-Y109 PolarHBondContact O-N 2.86Å; Y109-R112 PolarHBondContact OH-N 3.39Å; Y109-R112 PolarHBondContact OH-O 3.22Å
110G85.4Confident82.2Confident40 Ų4066.2 Ų66.241%0.41235%0.35SS..  trans-105.6179171.900000110.9R112G110-R112 VanDerWaalsContact C-N 3.27Å; G110-R112 PolarHBondContact O-N 3.38Å
111D84.3Confident80.2Confident118 Ų11868.1 Ų68.163%0.63136%0.355SS*.SBendtrans-81.929-165.4-54.8-43.2000117L99 H103 V113L99-D111 HydrophobicContact CD2-CB 4.06Å; H103-D111 IonicContact CE1-OD1 2.56Å; H103-D111 PolarHBondContact CE1-OD1 3.43Å; D111-V113 PolarHBondContact O-N 3.48Å
112R87.9Confident77.8Confident165 Ų16573.7 Ų73.762%0.62338%0.381SS*.  trans-88.379.6-172.4-70.1-171.3-178.2-1770.6114.5V86 Y109 G110V86-R112 PolarHBondContact N-O 2.95Å; Y109-R112 PolarHBondContact OH-N 3.39Å; Y109-R112 PolarHBondContact OH-O 3.22Å; G110-R112 VanDerWaalsContact C-N 3.27Å; G110-R112 PolarHBondContact O-N 3.38Å
113V87.3Confident75.4Confident32 Ų3278.5 Ų78.519%0.19441%0.414CS..EExtended strand (participates in β ladder)trans-93.7135177.1-175.80000111.8V86 I98 L99 D111 Y115V86-V113 HydrophobicContact CB-CG2 4.36Å; V86-V113 WeakPolarHBondContact O-CA 3.42Å; I98-V113 HydrophobicContact CG2-CG1 3.93Å; I98-V113 HydrophobicContact CG2-CG2 3.97Å; L99-V113 HydrophobicContact CD2-CG2 3.47Å; L99-V113 VanDerWaalsContact CD2-CG2 3.47Å; L99-V113 HydrophobicContact CG-CG2 4.02Å; D111-V113 PolarHBondContact O-N 3.48Å; V113-Y115 HydrophobicContact CG1-CE1 4.06Å; V113-Y115 HydrophobicContact CG1-CE2 4.13Å
114I88Confident72.9Confident51 Ų5182.3 Ų82.326%0.26244%0.437SS..EExtended strand (participates in β ladder)trans-117.3137.2167.7-61.4-166.6000109.4Y24 I85 V86 I87 S88Y24-I114 HydrophobicContact CE1-CG2 4.5Å; Y24-I114 VanDerWaalsContact OH-CG2 3.25Å; Y24-I114 WeakPolarHBondContact OH-CG2 3.34Å; I85-I114 HydrophobicContact CD1-CB 3.96Å; I85-I114 HydrophobicContact CD1-CD1 3.23Å; I85-I114 HydrophobicContact CD1-CG1 3.44Å; I85-I114 VanDerWaalsContact CD1-CG1 3.44Å; I85-I114 HydrophobicContact CG1-CD1 4.4Å; I85-I114 HydrophobicContact CG1-CG1 4.16Å; V86-I114 PolarHBondContact O-N 2.94Å; I87-I114 WeakPolarHBondContact CA-O 3.42Å; S88-I114 PolarHBondContact N-O 3.33Å
115Y83.8Confident70.4Confident72 Ų7281.1 Ų81.128%0.28243%0.43SS..EExtended strand (participates in β ladder)trans-94.6127.6174.5-59-79.9000109.9S88 E90 P95 I98 V113S88-Y115 WeakPolarHBondContact O-CA 3.35Å; E90-Y115 HydrophobicContact CG-CG 4.34Å; P95-Y115 WeakPolarHBondContact CA-OH 3.18Å; P95-Y115 WeakPolarHBondContact CB-OH 3.49Å; P95-Y115 VanDerWaalsContact CG-OH 3.24Å; P95-Y115 WeakPolarHBondContact CG-OH 3.43Å; I98-Y115 HydrophobicContact CD1-CE1 3.64Å; V113-Y115 HydrophobicContact CG1-CE1 4.06Å; V113-Y115 HydrophobicContact CG1-CE2 4.13Å
116A80.6Confident67.6Low3 Ų385.5 Ų85.53%0.02546%0.459CS..EExtended strand (participates in β ladder)trans-89117.5172.200000109L21 Y24 I87 S88L21-A116 HydrophobicContact CD2-CB 3.76Å; Y24-A116 HydrophobicContact CD1-CB 4.01Å; Y24-A116 HydrophobicContact CE1-CB 4.16Å; Y24-A116 HydrophobicContact CG-CB 4.36Å; I87-A116 HydrophobicContact CG2-CB 3.96Å; S88-A116 PolarHBondContact O-N 3.01Å
117T68.4Low64.9Low78 Ų7892 Ų9248%0.47949%0.492SS..PPolyproline II helixtrans-78.7128.2170.4-6.20000109.5D119T117-D119 WeakPolarHBondContact CG2-OD2 3.29Å; T117-D119 PolarHBondContact O-N 3.09Å; T117-D119 VanDerWaalsContact O-N 3.12Å
118I64.7Low62.2Low57 Ų5792.1 Ų92.129%0.29249%0.491SS..  trans-87.557.9175-47.5168000107.6K17 N120K17-I118 HydrophobicContact CD-CD1 4.21Å; K17-I118 HydrophobicContact CG-CD1 4.14Å; I118-N120 PolarHBondContact O-N 3.07Å
119D48.6Very low59.8Low121 Ų12191.7 Ų91.765%0.64749%0.489SS*.  trans-81113.7177.2-68.8-30.9000108.9T117T117-D119 WeakPolarHBondContact CG2-OD2 3.29Å; T117-D119 PolarHBondContact O-N 3.09Å; T117-D119 VanDerWaalsContact O-N 3.12Å
120N47.5Very low56.9Low143 Ų14399.4 Ų99.477%0.76553%0.526SS*.  trans76.1107.5169.3-55.5-33.7000117.3I118 E122I118-N120 PolarHBondContact O-N 3.07Å; N120-E122 PolarHBondContact O-N 3.2Å
121F48.5Very low54.5Low131 Ų131103.4 Ų103.458%0.57554%0.536SS*.  trans-67.3108.6162.5-71.4-91.6000109.5Q16 S123Q16-F121 HydrophobicContact CB-CD1 4.34Å; Q16-F121 HydrophobicContact CB-CE1 4.2Å; F121-S123 PolarHBondContact O-N 3.29Å
122E40.9Very low51.7Low146 Ų146104.1 Ų104.168%0.68255%0.545SS*.  trans-69.8119.6156.4-76.4177.2158.300107.9K23 N120 D124K23-E122 IonicContact NZ-OE2 3.27Å; K23-E122 PolarHBondContact NZ-OE2 3.21Å; K23-E122 VanDerWaalsContact NZ-OE2 3.07Å; N120-E122 PolarHBondContact O-N 3.2Å; E122-D124 PolarHBondContact O-N 2.99Å
123S42.2Very low49.2Very low100 Ų100100.4 Ų100.470%0.69954%0.54SS*.  trans-76.19-173.255.10000115.6F121 L125F121-S123 PolarHBondContact O-N 3.29Å; S123-L125 VanDerWaalsContact C-N 3.32Å; S123-L125 PolarHBondContact O-N 2.98Å
124D38.1Very low46.3Very low143 Ų143104 Ų10477%0.76557%0.567SS**  trans-9017.6-164.5-73.5-6.4000115.3E122E122-D124 PolarHBondContact O-N 2.99Å
125L37Very low43.6Very low79 Ų79106 Ų10641%0.41459%0.586SS.*SBendtrans-106.3117.6166.5-75.3165.9000109.3F19 S123 I127F19-L125 HydrophobicContact CD1-CD1 3.88Å; F19-L125 HydrophobicContact CD2-CD1 3.78Å; F19-L125 HydrophobicContact CE1-CD1 3.88Å; F19-L125 HydrophobicContact CE2-CD1 3.84Å; F19-L125 HydrophobicContact CG-CD1 3.82Å; F19-L125 HydrophobicContact CZ-CD1 3.89Å; S123-L125 VanDerWaalsContact C-N 3.32Å; S123-L125 PolarHBondContact O-N 2.98Å; L125-I127 PolarHBondContact O-N 3.49Å
126P32.2Very low41.5Very low96 Ų96107.9 Ų107.962%0.62361%0.61SS**  trans-54.6141.3168.921.8-29.4000108.4T128P126-T128 HydrophobicContact CB-CG2 4.39Å; P126-T128 PolarHBondContact O-N 2.9Å; P126-T128 PolarHBondContact O-OG1 3.07Å
127I34.2Very low39.6Very low138 Ų138115.3 Ų115.371%0.70865%0.649SS**  trans-68.865.5166-52.5171.7000106.5L125L125-I127 PolarHBondContact O-N 3.49Å
128T31.8Very low38.9Very low97 Ų97113.2 Ų113.260%0.59564%0.643SS**  trans-86.2127.9166.427.80000106.8P126P126-T128 HydrophobicContact CB-CG2 4.39Å; P126-T128 PolarHBondContact O-N 2.9Å; P126-T128 PolarHBondContact O-OG1 3.07Å
129D35.4Very low38.7Very low106 Ų106114.2 Ų114.257%0.56766%0.655SS**  trans87.257.9175.3-49-20.2000115.5I131D129-I131 HydrophobicContact CB-CD1 4.44Å; D129-I131 HydrophobicContact CB-CG1 3.72Å; D129-I131 PolarHBondContact O-N 3.29Å
130Q28.7Very low39.9Very low172 Ų172110.6 Ų110.680%0.80463%0.634SS**  -61.792.5126.6-72.2-170.511.800106T132Q130-T132 VanDerWaalsContact C-N 3.28Å; Q130-T132 PolarHBondContact O-N 3.05Å; Q130-T132 PolarHBondContact O-OG1 3.22Å
131I35.4Very low40.9Very low123 Ų123111 Ų11163%0.63163%0.631SS**  trans-67.896.1173.7-56.8-179.4000106.3D129 V133D129-I131 HydrophobicContact CB-CD1 4.44Å; D129-I131 HydrophobicContact CB-CG1 3.72Å; D129-I131 PolarHBondContact O-N 3.29Å; I131-V133 PolarHBondContact O-N 3.35Å
132T25.5Very low42.4Very low133 Ų133111.1 Ų111.182%0.81664%0.638SS**  trans-59.5119.4173.1-14.70000108.2Q130Q130-T132 VanDerWaalsContact C-N 3.28Å; Q130-T132 PolarHBondContact O-N 3.05Å; Q130-T132 PolarHBondContact O-OG1 3.22Å
133V34.3Very low44.7Very low87 Ų87104.5 Ų104.553%0.52761%0.607SS.*  trans-74.3122.5178171.50000108.3I131I131-V133 PolarHBondContact O-N 3.35Å
134S27Very low47.1Very low108 Ų108101.2 Ų101.276%0.75558%0.584SS**  trans-76.2114.7139.849.30000106S136S134-S136 VanDerWaalsContact C-N 3.29Å; S134-S136 PolarHBondContact O-N 3.28Å
135S30.8Very low49.9Very low93 Ų9398.2 Ų98.265%0.6556%0.562SS**  trans-66.891.6174.645.60000107.2D137S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 2.86Å; S135-D137 VanDerWaalsContact O-N 3.11Å
136S39.9Very low52.8Low112 Ų11294.5 Ų94.578%0.78354%0.542SS*.  trans-76.794.3158.7570000106.5S134 G138S134-S136 VanDerWaalsContact C-N 3.29Å; S134-S136 PolarHBondContact O-N 3.28Å; S136-G138 PolarHBondContact O-N 3.48Å
137D41Very low55.9Low158 Ų15890 Ų9085%0.84551%0.513SS*.  trans-44.3120.3161.7-81.1-37.9000109.3S135S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 2.86Å; S135-D137 VanDerWaalsContact O-N 3.11Å
138G53.4Low58.9Low34 Ų3483.6 Ų83.635%0.35148%0.48SS..  trans-174.5100.1172.800000108.6S136 H140S136-G138 PolarHBondContact O-N 3.48Å; G138-H140 PolarHBondContact O-CD2 2.98Å; G138-H140 VanDerWaalsContact O-CD2 3.27Å; G138-H140 PolarHBondContact O-N 2.87Å
139S61.5Low61.9Low78 Ų7880.9 Ų80.955%0.54547%0.471SS..  trans-48.9129.4166.651.70000108.7K264S139-K264 PolarHBondContact O-NZ 3.37Å
140H71.8Confident64.7Low46 Ų4676.6 Ų76.621%0.21345%0.453CS..  trans-92.18.4170.1-64.1-88.1000110.6F44 G138 D142 I143 L169 E266F44-H140 AromaticContact CD1-CD2 3.47Å; F44-H140 VanDerWaalsContact CD1-CD2 3.47Å; F44-H140 WeakPolarHBondContact CD1-CD2 3.19Å; F44-H140 AromaticContact CD1-CE1 3.67Å; F44-H140 AromaticContact CD1-CG 3.85Å; F44-H140 AromaticContact CD1-ND1 3.97Å; F44-H140 AromaticContact CD1-NE2 3.37Å; F44-H140 WeakPolarHBondContact CD1-NE2 3.47Å; F44-H140 AromaticContact CE1-CD2 4Å; F44-H140 AromaticContact CE1-CE1 3.35Å; F44-H140 WeakPolarHBondContact CE1-CE1 3.4Å; F44-H140 AromaticContact CE1-ND1 3.86Å; F44-H140 AromaticContact CE1-NE2 3.45Å; F44-H140 WeakPolarHBondContact CE1-NE2 3.31Å; G138-H140 PolarHBondContact O-CD2 2.98Å; G138-H140 VanDerWaalsContact O-CD2 3.27Å; G138-H140 PolarHBondContact O-N 2.87Å; H140-D142 VanDerWaalsContact C-N 3.32Å; H140-D142 PolarHBondContact O-N 3.27Å; H140-I143 HydrophobicContact CB-CD1 4.19Å; H140-I143 PolarHBondContact O-N 2.79Å; H140-L169 HydrophobicContact CB-CD2 4.2Å; H140-L169 VanDerWaalsContact ND1-CD2 3.34Å; H140-L169 WeakPolarHBondContact ND1-CD2 3.4Å; H140-E266 IonicContact CE1-OE2 3.44Å; H140-E266 PolarHBondContact CE1-OE2 2.85Å
141E69.1Low67.7Low152 Ų15269.5 Ų69.571%0.7142%0.421SS*.THydrogen-bonded Turntrans-63.9-35.4-175.3-68.7-175.3171.500112.4K171E141-K171 PolarHBondContact O-NZ 2.85Å
142D80Confident70.5Confident132 Ų13263.7 Ų63.771%0.70639%0.391SS*.THydrogen-bonded Turntrans-84.3-6.5-177.6-60.7-35.8000114.3H140 S144H140-D142 VanDerWaalsContact C-N 3.32Å; H140-D142 PolarHBondContact O-N 3.27Å; D142-S144 PolarHBondContact O-N 3.34Å
143I90.2Very high73.8Confident8 Ų857.3 Ų57.34%0.04135%0.352CS..  trans-83.3118.4-176.4-56.7172.4000109.2H140 V146 L169 K171 C237 K264H140-I143 HydrophobicContact CB-CD1 4.19Å; H140-I143 PolarHBondContact O-N 2.79Å; I143-V146 HydrophobicContact CG2-CG2 3.49Å; I143-V146 VanDerWaalsContact CG2-CG2 3.49Å; I143-L169 HydrophobicContact CD1-CD2 4.08Å; I143-L169 HydrophobicContact CG2-CB 4.37Å; I143-K171 WeakPolarHBondContact O-CD 3.21Å; I143-C237 HydrophobicContact CD1-CB 4.28Å; I143-C237 HydrophobicContact CG1-CB 4.4Å; I143-C237 HydrophobicContact CG2-CB 3.66Å; I143-K264 HydrophobicContact CD1-CD 3.92Å
144S91.6Very high76.5Confident30 Ų3054.3 Ų54.321%0.2133%0.332CS..  trans-123.9-37.5177-61.90000112.7D142 K171 E172 H173 D236D142-S144 PolarHBondContact O-N 3.34Å; S144-K171 PolarHBondContact O-N 3.44Å; S144-E172 PolarHBondContact O-N 3.37Å; S144-H173 PolarHBondContact O-N 3.39Å; S144-H173 VanDerWaalsContact O-N 3.14Å; S144-D236 PolarHBondContact N-OD2 2.88Å
145R97Very high79.6Confident81 Ų8150.5 Ų50.531%0.30630%0.303SS..EExtended strand (participates in β ladder)trans-116.1103.9-175.7-61.9-179172.5-117.7-7.2110.7E172 H173 E234 D236 C237R145-E172 IonicContact CZ-OE2 3.39Å; R145-E172 IonicContact NE-OE2 3.66Å; R145-E172 PolarHBondContact NE-OE2 3.27Å; R145-E172 IonicContact NH2-OE2 2.75Å; R145-E172 PolarHBondContact NH2-OE2 2.86Å; R145-H173 WeakPolarHBondContact CA-O 3.48Å; R145-H173 HydrophobicContact CB-CB 4.33Å; R145-H173 HydrophobicContact CG-CB 3.96Å; R145-E234 VanDerWaalsContact CB-O 3.26Å; R145-E234 WeakPolarHBondContact CB-O 3.37Å; R145-E234 WeakPolarHBondContact CD-O 3.4Å; R145-E234 IonicContact NH1-OE2 3.34Å; R145-E234 PolarHBondContact NH1-OE2 3.44Å; R145-D236 PolarHBondContact N-OD2 2.94Å; R145-D236 PolarHBondContact O-N 2.83Å; R145-C237 PolarHBondContact O-N 3.1Å
146V97.9Very high82.4Confident0 Ų046.8 Ų46.80%028%0.275CS..EExtended strand (participates in β ladder)trans-106.9141.2-174-176.90000109.8I143 L169 A170 H173 L174 L175 C237 V239I143-V146 HydrophobicContact CG2-CG2 3.49Å; I143-V146 VanDerWaalsContact CG2-CG2 3.49Å; V146-L169 HydrophobicContact CG1-CB 4.49Å; V146-L169 HydrophobicContact CG2-CB 3.68Å; V146-A170 HydrophobicContact CB-CB 4.02Å; V146-A170 HydrophobicContact CG2-CB 3.98Å; V146-H173 PolarHBondContact N-O 3.19Å; V146-L174 HydrophobicContact CB-CD1 4.27Å; V146-L174 HydrophobicContact CG1-CD1 4.21Å; V146-L174 WeakPolarHBondContact O-CA 3.42Å; V146-L175 PolarHBondContact O-N 3.06Å; V146-C237 WeakPolarHBondContact CA-O 3.42Å; V146-C237 HydrophobicContact CG2-CB 4.35Å; V146-V239 HydrophobicContact CG1-CG2 3.59Å
147C97.9Very high84.9Confident1 Ų142 Ų421%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-124.2153.2171.364.90000111.6L175 P229 F235 C237 I238 V239C147-L175 CarbonylContact C-O 3.52Å; C147-L175 VanDerWaalsContact CA-O 3.31Å; C147-L175 WeakPolarHBondContact CA-O 3.45Å; C147-L175 HydrophobicContact CB-CB 4.26Å; C147-L175 HydrophobicContact CB-CD2 4.24Å; C147-P229 HydrophobicContact CB-CG 3.62Å; C147-P229 VanDerWaalsContact SG-CG 3.53Å; C147-F235 HydrophobicContact CB-CD1 3.83Å; C147-F235 HydrophobicContact CB-CE1 4.12Å; C147-F235 HydrophobicContact CB-CG 4.41Å; C147-C237 PolarHBondContact N-O 3.38Å; C147-C237 PolarHBondContact SG-O 3.47Å; C147-C237 VanDerWaalsContact SG-O 3.37Å; C147-I238 VanDerWaalsContact O-CA 3.28Å; C147-I238 WeakPolarHBondContact O-CA 3.39Å; C147-V239 PolarHBondContact O-N 3.23Å
148L97.3Very high87.2Confident4 Ų434.7 Ų34.72%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-152.6153.4168.359.190.5000109.4F152 L162 L163 L174 L175 V176 G177 V239L148-F152 HydrophobicContact CD1-CE1 4.39Å; L148-F152 HydrophobicContact CD1-CE2 4.27Å; L148-F152 HydrophobicContact CD1-CZ 3.52Å; L148-L162 HydrophobicContact CD1-CG 4.48Å; L148-L163 HydrophobicContact CD1-CD2 3.79Å; L148-L174 HydrophobicContact CD2-CD1 4.02Å; L148-L175 PolarHBondContact N-O 3.31Å; L148-V176 HydrophobicContact CD1-CB 4.19Å; L148-V176 HydrophobicContact CD1-CG1 3.65Å; L148-V176 HydrophobicContact CD1-CG2 3.88Å; L148-V176 HydrophobicContact CG-CG2 4.15Å; L148-V176 CarbonylContact O-C 3.59Å; L148-V176 WeakPolarHBondContact O-CA 3.49Å; L148-G177 PolarHBondContact O-N 3.49Å; L148-V239 HydrophobicContact CB-CB 4.34Å; L148-V239 WeakPolarHBondContact CB-O 3.49Å
149G95.1Very high89.1Confident40 Ų4034.2 Ų34.241%0.41219%0.19SC..EExtended strand (participates in β ladder)trans-139.1148.9-175.900000112.2G177G149-G177 CarbonylContact C-O 3.5Å; G149-G177 VanDerWaalsContact CA-O 3.3Å; G149-G177 WeakPolarHBondContact CA-O 3.39Å
150G93.5Very high90.7Very high17 Ų1730.9 Ų30.918%0.17517%0.166CC..EExtended strand (participates in β ladder)trans-179.3173.3179.500000114.9F152 G177 T179G150-F152 VanDerWaalsContact N-CE2 3.34Å; G150-F152 VanDerWaalsContact O-CD2 3.26Å; G150-F152 WeakPolarHBondContact O-CD2 3.33Å; G150-G177 PolarHBondContact N-O 2.91Å; G150-T179 PolarHBondContact O-N 3.41Å; G150-T179 VanDerWaalsContact O-N 3.12Å
151T92.3Very high91.7Very high23 Ų2329 Ų2914%0.14116%0.157CC..  trans-72.2-40174.7-61.60000111.7D153 T179 L184 I193 R199T151-D153 HydrophobicContact CG2-CB 3.87Å; T151-D153 PolarHBondContact O-N 3.42Å; T151-D153 VanDerWaalsContact O-N 3.14Å; T151-T179 WeakPolarHBondContact CA-OG1 3.35Å; T151-L184 HydrophobicContact CG2-CD2 3.4Å; T151-L184 WeakPolarHBondContact OG1-CD2 3.45Å; T151-I193 HydrophobicContact CG2-CG2 4.39Å; T151-R199 VanDerWaalsContact O-CD 3.31Å; T151-R199 WeakPolarHBondContact O-CD 3.42Å; T151-R199 PolarHBondContact O-NH1 3.4Å
152F94.3Very high92.9Very high0 Ų022.3 Ų22.30%013%0.126CC..  trans53.730-179.8-57.9-67.4000115L148 G150 L155 H159 L162 L163 V176 G177 V178 V203L148-F152 HydrophobicContact CD1-CE1 4.39Å; L148-F152 HydrophobicContact CD1-CE2 4.27Å; L148-F152 HydrophobicContact CD1-CZ 3.52Å; G150-F152 VanDerWaalsContact N-CE2 3.34Å; G150-F152 VanDerWaalsContact O-CD2 3.26Å; G150-F152 WeakPolarHBondContact O-CD2 3.33Å; F152-L155 HydrophobicContact CB-CD2 3.92Å; F152-L155 HydrophobicContact CD1-CD2 3.82Å; F152-L155 HydrophobicContact CG-CD2 4.32Å; F152-H159 HydrophobicContact CD1-CB 3.99Å; F152-H159 AromaticContact CD1-CD2 3.7Å; F152-H159 AromaticContact CD1-CG 3.77Å; F152-H159 HydrophobicContact CE1-CB 4.28Å; F152-H159 AromaticContact CE1-CD2 3.93Å; F152-L162 HydrophobicContact CE1-CD2 4.26Å; F152-L162 HydrophobicContact CZ-CD2 4.28Å; F152-L163 HydrophobicContact CD1-CD1 4.23Å; F152-L163 HydrophobicContact CE1-CD1 4.1Å; F152-L163 HydrophobicContact CE1-CD2 3.97Å; F152-L163 HydrophobicContact CE1-CG 3.95Å; F152-L163 HydrophobicContact CZ-CD2 4.17Å; F152-V176 HydrophobicContact CD2-CG1 4.46Å; F152-V176 HydrophobicContact CE2-CG1 3.74Å; F152-V176 HydrophobicContact CZ-CG1 4.04Å; F152-G177 WeakPolarHBondContact CE2-O 3.47Å; F152-V178 HydrophobicContact CD2-CG2 3.92Å; F152-V178 HydrophobicContact CE2-CG2 4.49Å; F152-V203 HydrophobicContact CB-CG2 3.68Å; F152-V203 HydrophobicContact CD1-CG2 4.1Å; F152-V203 HydrophobicContact CD2-CG2 4.13Å; F152-V203 HydrophobicContact CG-CG2 3.7Å
153D93.6Very high93.7Very high0 Ų016 Ų160%09%0.093CC..THydrogen-bonded Turntrans-73.8134.1172.2-177.851.2000110.4T151 L155 I193 F194 S294 R298T151-D153 HydrophobicContact CG2-CB 3.87Å; T151-D153 PolarHBondContact O-N 3.42Å; T151-D153 VanDerWaalsContact O-N 3.14Å; D153-L155 PolarHBondContact O-N 3.23Å; D153-I193 HydrophobicContact CB-CG2 3.94Å; D153-F194 WeakPolarHBondContact OD1-CD2 3.49Å; D153-F194 PolarHBondContact OD1-N 2.75Å; D153-S294 WeakPolarHBondContact O-CB 3.49Å; D153-S294 PolarHBondContact O-OG 3.38Å; D153-R298 WeakPolarHBondContact OD2-CD 3.4Å; D153-R298 IonicContact OD2-CZ 2.9Å; D153-R298 IonicContact OD2-NE 3.82Å; D153-R298 IonicContact OD2-NH1 2.9Å; D153-R298 PolarHBondContact OD2-NH1 2.86Å
154R91.5Very high94Very high24 Ų2415.7 Ų15.79%0.0919%0.091CC..THydrogen-bonded Turntrans42.567.6-179.5-66.9170.8179.168.8-1.8111.8H156 L192 F194 L297R154-H156 PolarHBondContact O-N 3.2Å; R154-L192 PolarHBondContact NH1-O 3.31Å; R154-L192 PolarHBondContact NH2-O 2.92Å; R154-F194 HydrophobicContact CB-CE2 4.46Å; R154-F194 HydrophobicContact CG-CD2 3.94Å; R154-F194 HydrophobicContact CG-CE2 3.48Å; R154-F194 VanDerWaalsContact CG-CE2 3.48Å; R154-F194 HydrophobicContact CG-CZ 4.39Å; R154-L297 HydrophobicContact CB-CB 4.39Å; R154-L297 HydrophobicContact CB-CD1 3.76Å; R154-L297 WeakPolarHBondContact O-CD1 3.45Å
155L92.5Very high94.2Very high28 Ų2814.2 Ų14.215%0.1478%0.081CC..  trans-37.396.3-173.7-76.1-175.5000113.8F152 D153 H159 L163 M202 V203 F206F152-L155 HydrophobicContact CB-CD2 3.92Å; F152-L155 HydrophobicContact CD1-CD2 3.82Å; F152-L155 HydrophobicContact CG-CD2 4.32Å; D153-L155 PolarHBondContact O-N 3.23Å; L155-H159 HydrophobicContact CD2-CB 3.81Å; L155-L163 HydrophobicContact CD2-CD1 4.06Å; L155-M202 HydrophobicContact CB-CE 4.13Å; L155-M202 VanDerWaalsContact CD1-C 3.49Å; L155-M202 HydrophobicContact CD1-CB 3.83Å; L155-M202 VanDerWaalsContact CD1-O 3.31Å; L155-M202 WeakPolarHBondContact CD1-O 3.2Å; L155-M202 HydrophobicContact CG-CB 4.15Å; L155-M202 HydrophobicContact CG-CE 4.2Å; L155-V203 HydrophobicContact CD2-CG2 4.12Å; L155-F206 HydrophobicContact CD1-CB 3.88Å; L155-F206 HydrophobicContact CD1-CG 4.44Å
156H90.2Very high94.1Very high15 Ų1510.4 Ų10.47%0.0697%0.067CC..  trans-94.1171.2178.262.572.3000110.9R154 G158 H159 K160 L292 S294 L297R154-H156 PolarHBondContact O-N 3.2Å; H156-G158 VanDerWaalsContact C-N 3.31Å; H156-G158 PolarHBondContact ND1-N 3.09Å; H156-G158 VanDerWaalsContact ND1-N 3.17Å; H156-G158 PolarHBondContact O-N 3.44Å; H156-H159 AromaticContact CD2-CE1 3.62Å; H156-H159 AromaticContact CD2-ND1 3.48Å; H156-H159 PolarHBondContact CD2-ND1 2.93Å; H156-H159 AromaticContact CE1-CE1 3.95Å; H156-H159 AromaticContact CE1-CG 3.95Å; H156-H159 AromaticContact CE1-ND1 3.85Å; H156-H159 AromaticContact CG-ND1 3.97Å; H156-H159 PolarHBondContact ND1-N 3.26Å; H156-H159 AromaticContact NE2-CE1 3.24Å; H156-H159 PolarHBondContact NE2-CE1 3.36Å; H156-H159 AromaticContact NE2-CG 3.95Å; H156-H159 AromaticContact NE2-ND1 3.42Å; H156-H159 PolarHBondContact NE2-ND1 2.95Å; H156-H159 AromaticContact NE2-NE2 3.73Å; H156-H159 WeakPolarHBondContact O-CB 3.46Å; H156-H159 PolarHBondContact O-N 2.99Å; H156-K160 PolarHBondContact O-N 2.85Å; H156-K160 VanDerWaalsContact O-N 3.08Å; H156-L292 HydrophobicContact CB-CD2 3.85Å; H156-L292 PolarHBondContact CE1-O 3.37Å; H156-S294 PolarHBondContact CD2-N 3.48Å; H156-S294 PolarHBondContact CD2-OG 3.09Å; H156-L297 HydrophobicContact CB-CD1 4Å
157Y91Very high94Very high11 Ų1111 Ų114%0.0437%0.072CC..Hα-helixtrans-56.5-37.5-175.2-68.9-63.9000114.7Y55 A58 C59 C62 L65 V67 H159 K160 I161 L292Y55-Y157 AromaticContact CD1-CD1 3.62Å; Y55-Y157 HydrophobicContact CD1-CD1 3.62Å; Y55-Y157 HydrophobicContact CD1-CE1 4.04Å; Y55-Y157 HydrophobicContact CG-CD1 4.14Å; A58-Y157 HydrophobicContact CB-CE1 3.9Å; C59-Y157 HydrophobicContact CB-CD2 3.46Å; C59-Y157 VanDerWaalsContact CB-CD2 3.46Å; C59-Y157 HydrophobicContact CB-CE2 3.85Å; C59-Y157 HydrophobicContact CB-CG 4.16Å; C62-Y157 PolarHBondContact O-OH 2.98Å; L65-Y157 PolarHBondContact O-OH 3.21Å; V67-Y157 HydrophobicContact CB-CE1 4.12Å; V67-Y157 HydrophobicContact CG2-CE1 4.43Å; Y157-H159 PolarHBondContact O-N 3.01Å; Y157-K160 HydrophobicContact CD1-CD 3.9Å; Y157-K160 HydrophobicContact CE1-CD 4.28Å; Y157-K160 WeakPolarHBondContact O-CB 3.44Å; Y157-K160 PolarHBondContact O-N 2.87Å; Y157-K160 VanDerWaalsContact O-N 3.1Å; Y157-I161 WeakPolarHBondContact O-CG1 3.43Å; Y157-I161 PolarHBondContact O-N 3.02Å; Y157-L292 HydrophobicContact CD2-CD1 4.28Å; Y157-L292 HydrophobicContact CD2-CD2 3.81Å; Y157-L292 HydrophobicContact CG-CD2 4.43Å
158G89.1Confident93.8Very high5 Ų512.7 Ų12.75%0.0528%0.081CC..Hα-helixtrans-54.4-47.6169.800000114H156 K160 I161 L162 F270H156-G158 VanDerWaalsContact C-N 3.31Å; H156-G158 PolarHBondContact ND1-N 3.09Å; H156-G158 VanDerWaalsContact ND1-N 3.17Å; H156-G158 PolarHBondContact O-N 3.44Å; G158-K160 VanDerWaalsContact C-N 3.31Å; G158-K160 PolarHBondContact O-N 2.83Å; G158-I161 PolarHBondContact O-N 3.46Å; G158-L162 PolarHBondContact O-N 2.89Å; G158-L162 VanDerWaalsContact O-N 3.11Å; G158-F270 WeakPolarHBondContact O-CE1 3.48Å; G158-F270 VanDerWaalsContact O-CZ 3.29Å; G158-F270 WeakPolarHBondContact O-CZ 3.27Å
159H93.6Very high93.6Very high23 Ų2312.8 Ų12.811%0.1068%0.081CC..Hα-helixtrans-63.4-37.7174.3-67.7142.6000112.2F152 L155 H156 Y157 L162 L163 S294F152-H159 HydrophobicContact CD1-CB 3.99Å; F152-H159 AromaticContact CD1-CD2 3.7Å; F152-H159 AromaticContact CD1-CG 3.77Å; F152-H159 HydrophobicContact CE1-CB 4.28Å; F152-H159 AromaticContact CE1-CD2 3.93Å; L155-H159 HydrophobicContact CD2-CB 3.81Å; H156-H159 AromaticContact CD2-CE1 3.62Å; H156-H159 AromaticContact CD2-ND1 3.48Å; H156-H159 PolarHBondContact CD2-ND1 2.93Å; H156-H159 AromaticContact CE1-CE1 3.95Å; H156-H159 AromaticContact CE1-CG 3.95Å; H156-H159 AromaticContact CE1-ND1 3.85Å; H156-H159 AromaticContact CG-ND1 3.97Å; H156-H159 PolarHBondContact ND1-N 3.26Å; H156-H159 AromaticContact NE2-CE1 3.24Å; H156-H159 PolarHBondContact NE2-CE1 3.36Å; H156-H159 AromaticContact NE2-CG 3.95Å; H156-H159 AromaticContact NE2-ND1 3.42Å; H156-H159 PolarHBondContact NE2-ND1 2.95Å; H156-H159 AromaticContact NE2-NE2 3.73Å; H156-H159 WeakPolarHBondContact O-CB 3.46Å; H156-H159 PolarHBondContact O-N 2.99Å; Y157-H159 PolarHBondContact O-N 3.01Å; H159-L162 WeakPolarHBondContact O-CB 3.43Å; H159-L162 PolarHBondContact O-N 2.89Å; H159-L163 WeakPolarHBondContact O-CB 3.37Å; H159-L163 VanDerWaalsContact O-CG 3.26Å; H159-L163 WeakPolarHBondContact O-CG 3.38Å; H159-L163 PolarHBondContact O-N 3.31Å; H159-S294 PolarHBondContact CE1-OG 2.81Å
160K94.8Very high93.6Very high8 Ų811.5 Ų11.54%0.0357%0.066CC..Hα-helixtrans-63.9-42.7179-64.2-177.1174.6-175.10112.2Y55 N66 V67 H156 Y157 G158 L163 T164 F206Y55-K160 HydrophobicContact CD1-CB 4.14Å; Y55-K160 HydrophobicContact CD1-CD 4.12Å; Y55-K160 HydrophobicContact CD2-CB 4.21Å; Y55-K160 HydrophobicContact CE1-CB 3.9Å; Y55-K160 HydrophobicContact CE1-CD 3.84Å; Y55-K160 HydrophobicContact CE2-CB 4Å; Y55-K160 HydrophobicContact CG-CB 4.28Å; N66-K160 WeakPolarHBondContact OD1-CE 3.5Å; N66-K160 PolarHBondContact OD1-NZ 2.79Å; V67-K160 PolarHBondContact O-NZ 3.34Å; H156-K160 PolarHBondContact O-N 2.85Å; H156-K160 VanDerWaalsContact O-N 3.08Å; Y157-K160 HydrophobicContact CD1-CD 3.9Å; Y157-K160 HydrophobicContact CE1-CD 4.28Å; Y157-K160 WeakPolarHBondContact O-CB 3.44Å; Y157-K160 PolarHBondContact O-N 2.87Å; Y157-K160 VanDerWaalsContact O-N 3.1Å; G158-K160 VanDerWaalsContact C-N 3.31Å; G158-K160 PolarHBondContact O-N 2.83Å; K160-L163 PolarHBondContact O-N 2.95Å; K160-T164 VanDerWaalsContact O-CB 3.23Å; K160-T164 WeakPolarHBondContact O-CB 3.35Å; K160-T164 PolarHBondContact O-N 3.22Å; K160-T164 PolarHBondContact O-OG1 3.32Å; K160-F206 HydrophobicContact CB-CE1 4.38Å; K160-F206 HydrophobicContact CB-CE2 3.93Å; K160-F206 HydrophobicContact CB-CZ 3.62Å; K160-F206 HydrophobicContact CD-CD2 4.42Å; K160-F206 HydrophobicContact CD-CE2 3.77Å; K160-F206 HydrophobicContact CD-CZ 4.34Å; K160-F206 HydrophobicContact CG-CD2 4.18Å; K160-F206 HydrophobicContact CG-CE1 4.5Å; K160-F206 HydrophobicContact CG-CE2 3.57Å; K160-F206 HydrophobicContact CG-CZ 3.76Å
161I93.8Very high93.4Very high6 Ų616.5 Ų16.53%0.0318%0.083CC..Hα-helixtrans-60.6-48.6173.8-60.4160.2000109.4Y55 T56 Y157 G158 L163 T164 V165 I268 F270Y55-I161 HydrophobicContact CD2-CB 4.35Å; Y55-I161 HydrophobicContact CD2-CG1 3.52Å; Y55-I161 HydrophobicContact CG-CG1 4Å; T56-I161 HydrophobicContact CG2-CD1 4.46Å; Y157-I161 WeakPolarHBondContact O-CG1 3.43Å; Y157-I161 PolarHBondContact O-N 3.02Å; G158-I161 PolarHBondContact O-N 3.46Å; I161-L163 PolarHBondContact O-N 3.33Å; I161-T164 PolarHBondContact O-N 3.23Å; I161-V165 HydrophobicContact CG2-CG2 4.2Å; I161-V165 WeakPolarHBondContact O-CB 3.18Å; I161-V165 WeakPolarHBondContact O-CG2 3.34Å; I161-V165 PolarHBondContact O-N 3.31Å; I161-I268 HydrophobicContact CG2-CD1 4.36Å; I161-I268 HydrophobicContact CG2-CG2 3.6Å; I161-F270 HydrophobicContact CB-CE1 4.15Å; I161-F270 HydrophobicContact CD1-CD1 4.21Å; I161-F270 HydrophobicContact CD1-CE1 4.47Å; I161-F270 HydrophobicContact CG2-CE1 4.45Å
162L94.8Very high93.5Very high12 Ų1220.5 Ų20.56%0.06310%0.1CC..Hα-helixtrans-55.2-50.5178.5-178.264.2000112.6L148 F152 G158 H159 G166 V239 I268 F270L148-L162 HydrophobicContact CD1-CG 4.48Å; F152-L162 HydrophobicContact CE1-CD2 4.26Å; F152-L162 HydrophobicContact CZ-CD2 4.28Å; G158-L162 PolarHBondContact O-N 2.89Å; G158-L162 VanDerWaalsContact O-N 3.11Å; H159-L162 WeakPolarHBondContact O-CB 3.43Å; H159-L162 PolarHBondContact O-N 2.89Å; L162-G166 PolarHBondContact O-N 3Å; L162-V239 HydrophobicContact CD1-CB 4.15Å; L162-V239 HydrophobicContact CD1-CG1 3.7Å; L162-I268 HydrophobicContact CB-CD1 4.36Å; L162-I268 HydrophobicContact CD1-CD1 3.86Å; L162-F270 HydrophobicContact CB-CZ 4.3Å
163L96.9Very high93.6Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-65.7-41.1179.3-70.7166000112L148 F152 L155 H159 K160 I161 G166 A167 V176 V203 F206 L207L148-L163 HydrophobicContact CD1-CD2 3.79Å; F152-L163 HydrophobicContact CD1-CD1 4.23Å; F152-L163 HydrophobicContact CE1-CD1 4.1Å; F152-L163 HydrophobicContact CE1-CD2 3.97Å; F152-L163 HydrophobicContact CE1-CG 3.95Å; F152-L163 HydrophobicContact CZ-CD2 4.17Å; L155-L163 HydrophobicContact CD2-CD1 4.06Å; H159-L163 WeakPolarHBondContact O-CB 3.37Å; H159-L163 VanDerWaalsContact O-CG 3.26Å; H159-L163 WeakPolarHBondContact O-CG 3.38Å; H159-L163 PolarHBondContact O-N 3.31Å; K160-L163 PolarHBondContact O-N 2.95Å; I161-L163 PolarHBondContact O-N 3.33Å; L163-G166 PolarHBondContact O-N 2.67Å; L163-A167 WeakPolarHBondContact O-CB 3.19Å; L163-A167 PolarHBondContact O-N 3.07Å; L163-V176 HydrophobicContact CD2-CG1 3.99Å; L163-V176 HydrophobicContact CD2-CG2 4.11Å; L163-V203 HydrophobicContact CD2-CG1 4.02Å; L163-F206 HydrophobicContact CB-CD1 3.98Å; L163-F206 HydrophobicContact CB-CE1 3.61Å; L163-F206 HydrophobicContact CD1-CD1 3.68Å; L163-F206 HydrophobicContact CD1-CE1 4.04Å; L163-F206 HydrophobicContact CG-CD1 4.45Å; L163-F206 HydrophobicContact CG-CE1 4.47Å; L163-L207 HydrophobicContact CB-CD2 4.15Å; L163-L207 HydrophobicContact CD2-CD2 4.23Å
164T96Very high93.8Very high1 Ų121.9 Ų21.91%0.00611%0.107CC..Hα-helixtrans-66.7-45.4-180-55.20000111.1A51 Y55 L71 K160 I161 A167 L168A51-T164 HydrophobicContact CB-CG2 3.94Å; Y55-T164 HydrophobicContact CE2-CG2 4.45Å; Y55-T164 WeakPolarHBondContact CE2-OG1 3.35Å; Y55-T164 PolarHBondContact OH-OG1 3.45Å; L71-T164 HydrophobicContact CD2-CG2 4.06Å; K160-T164 VanDerWaalsContact O-CB 3.23Å; K160-T164 WeakPolarHBondContact O-CB 3.35Å; K160-T164 PolarHBondContact O-N 3.22Å; K160-T164 PolarHBondContact O-OG1 3.32Å; I161-T164 PolarHBondContact O-N 3.23Å; T164-A167 PolarHBondContact O-N 3.12Å; T164-L168 HydrophobicContact CG2-CD1 4.17Å; T164-L168 VanDerWaalsContact O-CG 3.32Å; T164-L168 WeakPolarHBondContact O-CG 2.99Å; T164-L168 PolarHBondContact O-N 3.3Å
165V95Very high94.1Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-65.8-40.3177.3172.40000111.3F44 K48 I161 A167 L168 L169 V239 E266 I268F44-V165 HydrophobicContact CE2-CG1 4.39Å; F44-V165 HydrophobicContact CZ-CG1 4.1Å; K48-V165 HydrophobicContact CG-CG2 4.13Å; I161-V165 HydrophobicContact CG2-CG2 4.2Å; I161-V165 WeakPolarHBondContact O-CB 3.18Å; I161-V165 WeakPolarHBondContact O-CG2 3.34Å; I161-V165 PolarHBondContact O-N 3.31Å; V165-A167 VanDerWaalsContact C-N 3.32Å; V165-A167 PolarHBondContact O-N 3.27Å; V165-L168 PolarHBondContact O-N 2.92Å; V165-L169 HydrophobicContact CG1-CD1 4.41Å; V165-L169 PolarHBondContact O-N 3.33Å; V165-L169 VanDerWaalsContact O-N 3.16Å; V165-V239 HydrophobicContact CB-CG1 4.42Å; V165-V239 HydrophobicContact CG1-CG1 3.96Å; V165-E266 HydrophobicContact CG1-CG 4.35Å; V165-I268 HydrophobicContact CB-CD1 3.63Å; V165-I268 HydrophobicContact CB-CG1 4.4Å; V165-I268 HydrophobicContact CG1-CD1 3.87Å; V165-I268 HydrophobicContact CG1-CG1 4.2Å; V165-I268 HydrophobicContact CG2-CD1 3.85Å; V165-I268 HydrophobicContact CG2-CG1 4.39Å
166G95.8Very high94.4Very high0 Ų019.7 Ų19.70%010%0.097CC..Hα-helixtrans-57.1-45171.500000112.8L162 L163 L169 A170L162-G166 PolarHBondContact O-N 3Å; L163-G166 PolarHBondContact O-N 2.67Å; G166-L169 PolarHBondContact O-N 3.01Å; G166-A170 WeakPolarHBondContact O-CB 3.43Å; G166-A170 PolarHBondContact O-N 3.21Å; G166-A170 VanDerWaalsContact O-N 3.13Å
167A95.4Very high94.7Very high13 Ų1319 Ų1911%0.1079%0.094CC..Hα-helixtrans-67.4-36177.600000113.6L71 L163 T164 V165 L169 A170 L174 I210 V212L71-A167 HydrophobicContact CD1-CB 3.68Å; L71-A167 HydrophobicContact CD2-CB 4.36Å; L163-A167 WeakPolarHBondContact O-CB 3.19Å; L163-A167 PolarHBondContact O-N 3.07Å; T164-A167 PolarHBondContact O-N 3.12Å; V165-A167 VanDerWaalsContact C-N 3.32Å; V165-A167 PolarHBondContact O-N 3.27Å; A167-L169 VanDerWaalsContact C-N 3.28Å; A167-L169 PolarHBondContact O-N 3.15Å; A167-A170 PolarHBondContact O-N 3.4Å; A167-L174 HydrophobicContact CB-CD2 4.03Å; A167-I210 HydrophobicContact CB-CD1 4.23Å; A167-V212 HydrophobicContact CB-CG2 3.57Å
168L93.6Very high95Very high37 Ų3718.5 Ų18.519%0.1949%0.092CC..Hα-helixtrans-65-31.3175.2-74.4163.7000112.8F44 W47 L71 P72 T164 V165F44-L168 HydrophobicContact CD2-CB 4.07Å; F44-L168 HydrophobicContact CE2-CB 3.94Å; W47-L168 HydrophobicContact CB-CD1 3.62Å; W47-L168 HydrophobicContact CB-CD2 3.69Å; W47-L168 HydrophobicContact CB-CG 4.29Å; W47-L168 HydrophobicContact CD2-CD2 4.39Å; W47-L168 HydrophobicContact CG-CD2 3.95Å; L71-L168 HydrophobicContact CD2-CD2 3.62Å; L71-L168 HydrophobicContact CD2-CG 3.66Å; P72-L168 HydrophobicContact CG-CD2 4.29Å; T164-L168 HydrophobicContact CG2-CD1 4.17Å; T164-L168 VanDerWaalsContact O-CG 3.32Å; T164-L168 WeakPolarHBondContact O-CG 2.99Å; T164-L168 PolarHBondContact O-N 3.3Å; V165-L168 PolarHBondContact O-N 2.92Å
169L93.8Very high95.3Very high6 Ų619 Ų193%0.0319%0.094CC..Hα-helixtrans-84.1-25.8178.4-73.2175.3000113.5F44 H140 I143 V146 V165 G166 A167 K171 V239 E266F44-L169 HydrophobicContact CD1-CD2 4.27Å; F44-L169 HydrophobicContact CD2-CD2 3.75Å; F44-L169 HydrophobicContact CD2-CG 4.22Å; F44-L169 HydrophobicContact CE1-CD2 3.9Å; F44-L169 HydrophobicContact CE2-CD1 4.26Å; F44-L169 HydrophobicContact CE2-CD2 3.35Å; F44-L169 HydrophobicContact CE2-CG 3.43Å; F44-L169 VanDerWaalsContact CE2-CG 3.43Å; F44-L169 HydrophobicContact CG-CD2 4.21Å; F44-L169 HydrophobicContact CZ-CD1 3.96Å; F44-L169 HydrophobicContact CZ-CD2 3.42Å; F44-L169 VanDerWaalsContact CZ-CD2 3.42Å; F44-L169 HydrophobicContact CZ-CG 3.61Å; H140-L169 HydrophobicContact CB-CD2 4.2Å; H140-L169 VanDerWaalsContact ND1-CD2 3.34Å; H140-L169 WeakPolarHBondContact ND1-CD2 3.4Å; I143-L169 HydrophobicContact CD1-CD2 4.08Å; I143-L169 HydrophobicContact CG2-CB 4.37Å; V146-L169 HydrophobicContact CG1-CB 4.49Å; V146-L169 HydrophobicContact CG2-CB 3.68Å; V165-L169 HydrophobicContact CG1-CD1 4.41Å; V165-L169 PolarHBondContact O-N 3.33Å; V165-L169 VanDerWaalsContact O-N 3.16Å; G166-L169 PolarHBondContact O-N 3.01Å; A167-L169 VanDerWaalsContact C-N 3.28Å; A167-L169 PolarHBondContact O-N 3.15Å; L169-K171 PolarHBondContact O-N 2.87Å; L169-V239 HydrophobicContact CD1-CG2 3.89Å; L169-E266 HydrophobicContact CD1-CB 3.99Å; L169-E266 HydrophobicContact CD1-CG 3.81Å
170A93.9Very high95Very high12 Ų1218.1 Ų18.110%0.0999%0.09CC..  trans-82.897.5-171.800000112.1V146 G166 A167 L174 V216V146-A170 HydrophobicContact CB-CB 4.02Å; V146-A170 HydrophobicContact CG2-CB 3.98Å; G166-A170 WeakPolarHBondContact O-CB 3.43Å; G166-A170 PolarHBondContact O-N 3.21Å; G166-A170 VanDerWaalsContact O-N 3.13Å; A167-A170 PolarHBondContact O-N 3.4Å; A170-L174 HydrophobicContact CB-CB 3.66Å; A170-L174 HydrophobicContact CB-CD1 4.25Å; A170-L174 HydrophobicContact CB-CG 4.45Å; A170-V216 HydrophobicContact CB-CG1 4.45Å
171K89.8Confident94.2Very high123 Ų12320.1 Ų20.154%0.53511%0.106SC..SBendtrans-76-40.3175.9-60.5180-176.9178.20113.1E141 I143 S144 L169E141-K171 PolarHBondContact O-NZ 2.85Å; I143-K171 WeakPolarHBondContact O-CD 3.21Å; S144-K171 PolarHBondContact O-N 3.44Å; L169-K171 PolarHBondContact O-N 2.87Å
172E93.5Very high93.4Very high107 Ų10725.3 Ų25.350%0.513%0.133SC..SBendtrans-112.4-43.3-177.5-69.4-173.7-177.900112.5S144 R145S144-E172 PolarHBondContact O-N 3.37Å; R145-E172 IonicContact CZ-OE2 3.39Å; R145-E172 IonicContact NE-OE2 3.66Å; R145-E172 PolarHBondContact NE-OE2 3.27Å; R145-E172 IonicContact NH2-OE2 2.75Å; R145-E172 PolarHBondContact NH2-OE2 2.86Å
173H96.6Very high92.8Very high29 Ų2927.1 Ų27.113%0.13414%0.143CC..EExtended strand (participates in β ladder)trans-145.4128.5-170.7-165.956.3000112.4S144 R145 V146 V216 K218 F235S144-H173 PolarHBondContact O-N 3.39Å; S144-H173 VanDerWaalsContact O-N 3.14Å; R145-H173 WeakPolarHBondContact CA-O 3.48Å; R145-H173 HydrophobicContact CB-CB 4.33Å; R145-H173 HydrophobicContact CG-CB 3.96Å; V146-H173 PolarHBondContact N-O 3.19Å; H173-V216 CarbonylContact C-O 3.59Å; H173-V216 WeakPolarHBondContact CA-O 3.41Å; H173-V216 PolarHBondContact ND1-O 3.09Å; H173-K218 VanDerWaalsContact CE1-CB 3.46Å; H173-K218 WeakPolarHBondContact CE1-CB 2.97Å; H173-F235 AromaticContact CD2-CE1 4Å
174L97.9Very high92.2Very high0 Ų027.1 Ų27.10%014%0.143CC..EExtended strand (participates in β ladder)trans-116.3105.4170179.261.9000109.6V146 L148 A167 A170 V176 L207 V216 M217 K218V146-L174 HydrophobicContact CB-CD1 4.27Å; V146-L174 HydrophobicContact CG1-CD1 4.21Å; V146-L174 WeakPolarHBondContact O-CA 3.42Å; L148-L174 HydrophobicContact CD2-CD1 4.02Å; A167-L174 HydrophobicContact CB-CD2 4.03Å; A170-L174 HydrophobicContact CB-CB 3.66Å; A170-L174 HydrophobicContact CB-CD1 4.25Å; A170-L174 HydrophobicContact CB-CG 4.45Å; L174-V176 HydrophobicContact CD1-CG2 4.4Å; L174-V176 HydrophobicContact CD2-CG2 4.21Å; L174-V176 HydrophobicContact CG-CG2 3.96Å; L174-L207 HydrophobicContact CD2-CD1 4.37Å; L174-L207 HydrophobicContact CD2-CD2 4.02Å; L174-V216 HydrophobicContact CB-CG1 4.38Å; L174-V216 PolarHBondContact N-O 2.66Å; L174-M217 CarbonylContact O-C 3.53Å; L174-M217 WeakPolarHBondContact O-CA 3.48Å; L174-K218 PolarHBondContact O-N 2.91Å
175L98.3Very high91.4Very high6 Ų630.3 Ų30.33%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-90.1122.9170.6-176145.8000110.6V146 C147 L148 K218 V220 P228 P229 F235V146-L175 PolarHBondContact O-N 3.06Å; C147-L175 CarbonylContact C-O 3.52Å; C147-L175 VanDerWaalsContact CA-O 3.31Å; C147-L175 WeakPolarHBondContact CA-O 3.45Å; C147-L175 HydrophobicContact CB-CB 4.26Å; C147-L175 HydrophobicContact CB-CD2 4.24Å; L148-L175 PolarHBondContact N-O 3.31Å; L175-K218 CarbonylContact C-O 2.97Å; L175-K218 WeakPolarHBondContact CA-O 3.49Å; L175-V220 HydrophobicContact CD1-CG1 4.12Å; L175-V220 HydrophobicContact CD1-CG2 4.15Å; L175-V220 HydrophobicContact CD2-CG2 3.76Å; L175-V220 HydrophobicContact CG-CG1 4.43Å; L175-V220 HydrophobicContact CG-CG2 4.03Å; L175-P228 HydrophobicContact CD1-CB 4.13Å; L175-P228 HydrophobicContact CD1-CG 4.22Å; L175-P229 HydrophobicContact CD2-CG 4.42Å; L175-F235 HydrophobicContact CB-CE1 3.69Å; L175-F235 HydrophobicContact CB-CZ 4.13Å; L175-F235 HydrophobicContact CD1-CE1 4.07Å; L175-F235 HydrophobicContact CD1-CZ 3.59Å; L175-F235 HydrophobicContact CG-CE1 4.4Å; L175-F235 HydrophobicContact CG-CZ 4.37Å
176V98.4Very high90.7Very high0 Ų037.8 Ų37.80%021%0.205CC..EExtended strand (participates in β ladder)trans-113.7109.6174.4-177.70000110.5L148 F152 L163 L174 V178 V203 L207 K218 I219 V220L148-V176 HydrophobicContact CD1-CB 4.19Å; L148-V176 HydrophobicContact CD1-CG1 3.65Å; L148-V176 HydrophobicContact CD1-CG2 3.88Å; L148-V176 HydrophobicContact CG-CG2 4.15Å; L148-V176 CarbonylContact O-C 3.59Å; L148-V176 WeakPolarHBondContact O-CA 3.49Å; F152-V176 HydrophobicContact CD2-CG1 4.46Å; F152-V176 HydrophobicContact CE2-CG1 3.74Å; F152-V176 HydrophobicContact CZ-CG1 4.04Å; L163-V176 HydrophobicContact CD2-CG1 3.99Å; L163-V176 HydrophobicContact CD2-CG2 4.11Å; L174-V176 HydrophobicContact CD1-CG2 4.4Å; L174-V176 HydrophobicContact CD2-CG2 4.21Å; L174-V176 HydrophobicContact CG-CG2 3.96Å; V176-V178 HydrophobicContact CG1-CG2 4.4Å; V176-V203 HydrophobicContact CB-CG1 4.36Å; V176-V203 HydrophobicContact CG1-CG1 3.76Å; V176-L207 HydrophobicContact CG2-CD1 4.02Å; V176-K218 PolarHBondContact N-O 3.01Å; V176-I219 HydrophobicContact CB-CG1 4.44Å; V176-I219 WeakPolarHBondContact O-CA 3.24Å; V176-V220 PolarHBondContact O-N 3.36Å
177G97.4Very high90.1Very high1 Ų142.5 Ų42.51%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-85.9118.3176.100000112.6L148 G149 G150 F152 V220 L222L148-G177 PolarHBondContact O-N 3.49Å; G149-G177 CarbonylContact C-O 3.5Å; G149-G177 VanDerWaalsContact CA-O 3.3Å; G149-G177 WeakPolarHBondContact CA-O 3.39Å; G150-G177 PolarHBondContact N-O 2.91Å; F152-G177 WeakPolarHBondContact CE2-O 3.47Å; G177-V220 WeakPolarHBondContact CA-O 3.35Å; G177-L222 WeakPolarHBondContact O-CD1 3.28Å
178V97Very high89.5Confident0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-106.4120.5177.4-178.20000109.4F152 V176 W196 R199 V203 I219 V220 K221 L222F152-V178 HydrophobicContact CD2-CG2 3.92Å; F152-V178 HydrophobicContact CE2-CG2 4.49Å; V176-V178 HydrophobicContact CG1-CG2 4.4Å; V178-W196 PolarHBondContact O-NE1 2.99Å; V178-R199 HydrophobicContact CG1-CB 4.02Å; V178-V203 HydrophobicContact CG2-CG2 4.33Å; V178-I219 HydrophobicContact CG2-CG2 3.73Å; V178-V220 PolarHBondContact N-O 3.38Å; V178-K221 WeakPolarHBondContact O-CA 3.48Å; V178-L222 PolarHBondContact O-N 3.17Å
179T93.9Very high89.4Confident15 Ų1542.6 Ų42.69%0.09222%0.222CC..EExtended strand (participates in β ladder)trans-65.1143.2-173.661.40000114G150 T151 L183 L184 R199 L222G150-T179 PolarHBondContact O-N 3.41Å; G150-T179 VanDerWaalsContact O-N 3.12Å; T151-T179 WeakPolarHBondContact CA-OG1 3.35Å; T179-L183 HydrophobicContact CG2-CB 4.34Å; T179-L183 HydrophobicContact CG2-CD1 3.96Å; T179-L184 WeakPolarHBondContact OG1-CD2 3.48Å; T179-R199 VanDerWaalsContact O-CZ 3.29Å; T179-R199 PolarHBondContact O-NH1 3.36Å; T179-R199 PolarHBondContact O-NH2 3.03Å; T179-L222 HydrophobicContact CG2-CB 4.44Å; T179-L222 HydrophobicContact CG2-CD1 4.29Å
180C87.9Confident89.3Confident4 Ų442.9 Ų42.93%0.02722%0.224CC..  trans-83.4178.3169.275.60000112.5D182 L183 L184 K221 L222C180-D182 VanDerWaalsContact C-N 3.3Å; C180-D182 PolarHBondContact O-N 3.23Å; C180-L183 PolarHBondContact O-N 3.35Å; C180-L184 WeakPolarHBondContact O-CD1 3.34Å; C180-L184 WeakPolarHBondContact O-CG 3.33Å; C180-K221 HydrophobicContact CB-CD 4.38Å; C180-K221 VanDerWaalsContact CB-CE 3.42Å; C180-K221 HydrophobicContact CB-CG 4.1Å; C180-L222 PolarHBondContact N-O 2.71Å; C180-L222 PolarHBondContact SG-O 3.12Å
181S78.4Confident89.2Confident51 Ų5142.8 Ų42.836%0.35722%0.222SC..G310 helixtrans-51.4-39.4-179.944.40000114.6L183 L184 S185S181-L183 VanDerWaalsContact C-N 3.29Å; S181-L183 PolarHBondContact O-N 2.97Å; S181-L184 WeakPolarHBondContact O-CB 3.3Å; S181-L184 PolarHBondContact O-N 3.33Å; S181-S185 PolarHBondContact O-N 3.21Å
182D77.7Confident89.4Confident114 Ų11437 Ų3761%0.6120%0.197SC*.G310 helixtrans-67.7-31.9-170.1-51.5-33.5000112.3C180 L184 S185C180-D182 VanDerWaalsContact C-N 3.3Å; C180-D182 PolarHBondContact O-N 3.23Å; D182-L184 VanDerWaalsContact C-N 3.28Å; D182-L184 PolarHBondContact O-N 2.83Å; D182-S185 PolarHBondContact O-OG 3.08Å
183L81.3Confident89.5Confident50 Ų5031.9 Ų31.926%0.26217%0.174SC..G310 helixtrans-84.7-1.1176.4-61.5173.4000113.2T179 C180 S181 L222 D224 K225T179-L183 HydrophobicContact CG2-CB 4.34Å; T179-L183 HydrophobicContact CG2-CD1 3.96Å; C180-L183 PolarHBondContact O-N 3.35Å; S181-L183 VanDerWaalsContact C-N 3.29Å; S181-L183 PolarHBondContact O-N 2.97Å; L183-L222 HydrophobicContact CD1-CB 4.33Å; L183-D224 VanDerWaalsContact CD1-O 3.26Å; L183-D224 WeakPolarHBondContact CD1-O 3.46Å; L183-K225 HydrophobicContact CD2-CG 4.06Å
184L83.9Confident89.4Confident0 Ų031.8 Ų31.80%017%0.173CC..THydrogen-bonded Turntrans-108.2-15.1-173.9-64.6174.9000113.9T151 T179 C180 S181 D182 N186 K187 S190 I193 A510T151-L184 HydrophobicContact CG2-CD2 3.4Å; T151-L184 WeakPolarHBondContact OG1-CD2 3.45Å; T179-L184 WeakPolarHBondContact OG1-CD2 3.48Å; C180-L184 WeakPolarHBondContact O-CD1 3.34Å; C180-L184 WeakPolarHBondContact O-CG 3.33Å; S181-L184 WeakPolarHBondContact O-CB 3.3Å; S181-L184 PolarHBondContact O-N 3.33Å; D182-L184 VanDerWaalsContact C-N 3.28Å; D182-L184 PolarHBondContact O-N 2.83Å; L184-N186 VanDerWaalsContact C-N 3.26Å; L184-N186 PolarHBondContact O-N 3.22Å; L184-K187 HydrophobicContact CD2-CG 4.3Å; L184-K187 VanDerWaalsContact O-CB 3.26Å; L184-K187 WeakPolarHBondContact O-CB 3.34Å; L184-K187 WeakPolarHBondContact O-CG 3.32Å; L184-K187 PolarHBondContact O-N 2.94Å; L184-S190 WeakPolarHBondContact O-CB 3.32Å; L184-I193 HydrophobicContact CB-CD1 4.18Å; L184-I193 HydrophobicContact CD1-CD1 4.46Å; L184-I193 HydrophobicContact CD1-CG2 3.99Å; L184-I193 HydrophobicContact CD2-CD1 4.07Å; L184-I193 HydrophobicContact CG-CD1 4.47Å; L184-A510 HydrophobicContact CB-CB 3.5Å; L184-A510 VanDerWaalsContact CB-CB 3.5Å
185S79.1Confident89.3Confident69 Ų6932 Ų3248%0.48317%0.174SC..THydrogen-bonded Turntrans-51.7-42-173.854.80000113.4S181 D182 K187 S190S181-S185 PolarHBondContact O-N 3.21Å; D182-S185 PolarHBondContact O-OG 3.08Å; S185-K187 VanDerWaalsContact C-N 3.28Å; S185-K187 PolarHBondContact O-N 3.31Å; S185-S190 PolarHBondContact O-OG 2.94Å
186N80.2Confident89.1Confident156 Ų15634.8 Ų34.883%0.83418%0.184SC*.THydrogen-bonded Turntrans-79-0.3-179.8-65.1-31.3000114.7L184L184-N186 VanDerWaalsContact C-N 3.26Å; L184-N186 PolarHBondContact O-N 3.22Å
187K83.8Confident88.9Confident100 Ų10039.7 Ų39.744%0.43521%0.207SC..SBendtrans-81.2142.8177.9-62.1-69.8-174.6-173.20110.1L184 S185 L189 S190 I193L184-K187 HydrophobicContact CD2-CG 4.3Å; L184-K187 VanDerWaalsContact O-CB 3.26Å; L184-K187 WeakPolarHBondContact O-CB 3.34Å; L184-K187 WeakPolarHBondContact O-CG 3.32Å; L184-K187 PolarHBondContact O-N 2.94Å; S185-K187 VanDerWaalsContact C-N 3.28Å; S185-K187 PolarHBondContact O-N 3.31Å; K187-L189 PolarHBondContact O-N 3.34Å; K187-S190 VanDerWaalsContact O-CB 3.22Å; K187-S190 WeakPolarHBondContact O-CB 3.43Å; K187-S190 PolarHBondContact O-N 3.2Å; K187-S190 VanDerWaalsContact O-N 3.15Å; K187-I193 HydrophobicContact CB-CD1 3.85Å; K187-I193 HydrophobicContact CG-CD1 4.29Å
188Y82.9Confident88.8Confident42 Ų4243.9 Ų43.917%0.16523%0.225CC..THydrogen-bonded Turntrans-53.2133.1172.2-78.9-77.9000112.4S190 I276 N278 R298 W531Y188-S190 PolarHBondContact O-N 2.65Å; Y188-I276 HydrophobicContact CE2-CG2 4.5Å; Y188-N278 WeakPolarHBondContact CE2-OD1 3.31Å; Y188-N278 WeakPolarHBondContact OH-CA 3.27Å; Y188-N278 PolarHBondContact OH-OD1 3.24Å; Y188-N278 VanDerWaalsContact OH-OD1 3.13Å; Y188-R298 VanDerWaalsContact O-CZ 3.29Å; Y188-R298 PolarHBondContact O-NE 3.26Å; Y188-R298 PolarHBondContact O-NH2 3.19Å; Y188-W531 HydrophobicContact CD1-CZ2 4.05Å; Y188-W531 HydrophobicContact CE1-CZ2 4.38Å
189L90.9Very high88.8Confident10 Ų1044 Ų445%0.05223%0.225CC..THydrogen-bonded Turntrans50.942.4-180-58.2170.7000111.1K187 P191 L192 R298 F299 L302 V466 W531K187-L189 PolarHBondContact O-N 3.34Å; L189-P191 VanDerWaalsContact C-N 3.27Å; L189-L192 HydrophobicContact CB-CB 4.39Å; L189-L192 HydrophobicContact CB-CD1 4.29Å; L189-L192 WeakPolarHBondContact O-CB 3.43Å; L189-L192 PolarHBondContact O-N 2.75Å; L189-R298 HydrophobicContact CB-CB 4.29Å; L189-R298 HydrophobicContact CD1-CB 4.05Å; L189-R298 WeakPolarHBondContact O-CD 3.5Å; L189-F299 HydrophobicContact CD1-CB 4.32Å; L189-L302 HydrophobicContact CD1-CD1 3.91Å; L189-L302 HydrophobicContact CD1-CD2 4.26Å; L189-L302 HydrophobicContact CD1-CG 4.14Å; L189-L302 HydrophobicContact CD2-CD1 4.39Å; L189-L302 HydrophobicContact CD2-CD2 4.41Å; L189-V466 HydrophobicContact CD2-CG2 3.78Å; L189-W531 HydrophobicContact CD1-CH2 4.13Å; L189-W531 HydrophobicContact CD2-CH2 3.95Å; L189-W531 HydrophobicContact CG-CH2 4.06Å
190S92Very high89Confident12 Ų1244 Ų448%0.08423%0.226CC..G310 helixtrans-55.6-31.2-175.853.70000114.7L184 S185 K187 Y188 L192 I193 A510 G511L184-S190 WeakPolarHBondContact O-CB 3.32Å; S185-S190 PolarHBondContact O-OG 2.94Å; K187-S190 VanDerWaalsContact O-CB 3.22Å; K187-S190 WeakPolarHBondContact O-CB 3.43Å; K187-S190 PolarHBondContact O-N 3.2Å; K187-S190 VanDerWaalsContact O-N 3.15Å; Y188-S190 PolarHBondContact O-N 2.65Å; S190-L192 VanDerWaalsContact C-N 3.27Å; S190-L192 PolarHBondContact O-N 3.27Å; S190-I193 VanDerWaalsContact O-CB 3.29Å; S190-I193 WeakPolarHBondContact O-CB 3.42Å; S190-I193 WeakPolarHBondContact O-CG1 3.42Å; S190-I193 PolarHBondContact O-N 3.49Å; S190-I193 VanDerWaalsContact O-N 3.17Å; S190-A510 WeakPolarHBondContact O-CA 3.46Å; S190-G511 PolarHBondContact O-N 3.46Å
191P92.5Very high89.4Confident9 Ų949 Ų496%0.05825%0.249CC..G310 helixtrans-60.4-32.9171-26.937.3000114L189 I193 E509 Q512 I520L189-P191 VanDerWaalsContact C-N 3.27Å; P191-I193 PolarHBondContact O-N 2.92Å; P191-E509 VanDerWaalsContact CA-O 3.31Å; P191-E509 WeakPolarHBondContact CA-O 3.41Å; P191-Q512 HydrophobicContact CB-CG 4.36Å; P191-Q512 WeakPolarHBondContact O-CB 3.38Å; P191-Q512 PolarHBondContact O-N 2.97Å; P191-I520 HydrophobicContact CB-CD1 3.97Å; P191-I520 HydrophobicContact CB-CG1 3.94Å
192L94.4Very high90.3Very high2 Ų248.9 Ų48.91%0.0124%0.243CC..G310 helixtrans-79.6-3.6-179.7-76.270.1000113R154 L189 S190 R298 L302 V466 I520 I526R154-L192 PolarHBondContact NH1-O 3.31Å; R154-L192 PolarHBondContact NH2-O 2.92Å; L189-L192 HydrophobicContact CB-CB 4.39Å; L189-L192 HydrophobicContact CB-CD1 4.29Å; L189-L192 WeakPolarHBondContact O-CB 3.43Å; L189-L192 PolarHBondContact O-N 2.75Å; S190-L192 VanDerWaalsContact C-N 3.27Å; S190-L192 PolarHBondContact O-N 3.27Å; L192-R298 HydrophobicContact CB-CG 4.24Å; L192-L302 HydrophobicContact CD2-CD2 4Å; L192-V466 HydrophobicContact CD1-CB 4.42Å; L192-V466 HydrophobicContact CD1-CG1 3.87Å; L192-V466 HydrophobicContact CD1-CG2 4.08Å; L192-I520 HydrophobicContact CD1-CD1 4.01Å; L192-I526 HydrophobicContact CD1-CD1 4.11Å; L192-I526 HydrophobicContact CD1-CG2 4.09Å; L192-I526 HydrophobicContact CD2-CB 4.43Å; L192-I526 HydrophobicContact CD2-CD1 3.91Å; L192-I526 HydrophobicContact CD2-CG2 4.1Å; L192-I526 HydrophobicContact CG-CD1 3.7Å; L192-I526 HydrophobicContact CG-CG2 4.44Å
193I95.1Very high91.2Very high0 Ų043.4 Ų43.40%021%0.214CC..SBendtrans-64.7138.5171.7-64.6174.1000108T151 D153 L184 K187 S190 P191 G511 Q512 Y513T151-I193 HydrophobicContact CG2-CG2 4.39Å; D153-I193 HydrophobicContact CB-CG2 3.94Å; L184-I193 HydrophobicContact CB-CD1 4.18Å; L184-I193 HydrophobicContact CD1-CD1 4.46Å; L184-I193 HydrophobicContact CD1-CG2 3.99Å; L184-I193 HydrophobicContact CD2-CD1 4.07Å; L184-I193 HydrophobicContact CG-CD1 4.47Å; K187-I193 HydrophobicContact CB-CD1 3.85Å; K187-I193 HydrophobicContact CG-CD1 4.29Å; S190-I193 VanDerWaalsContact O-CB 3.29Å; S190-I193 WeakPolarHBondContact O-CB 3.42Å; S190-I193 WeakPolarHBondContact O-CG1 3.42Å; S190-I193 PolarHBondContact O-N 3.49Å; S190-I193 VanDerWaalsContact O-N 3.17Å; P191-I193 PolarHBondContact O-N 2.92Å; I193-G511 CarbonylContact O-C 3.14Å; I193-G511 WeakPolarHBondContact O-CA 3.45Å; I193-Q512 PolarHBondContact O-N 3.04Å; I193-Y513 PolarHBondContact O-N 3.46Å; I193-Y513 VanDerWaalsContact O-N 3.08Å
194F95.4Very high92Very high27 Ų2743.9 Ų43.912%0.11822%0.215CC..BIsolated β-bridgetrans-59.8151.3174.3-77.1-54.6000111.9D153 R154 K198 R199 M202 Y513 C514D153-F194 WeakPolarHBondContact OD1-CD2 3.49Å; D153-F194 PolarHBondContact OD1-N 2.75Å; R154-F194 HydrophobicContact CB-CE2 4.46Å; R154-F194 HydrophobicContact CG-CD2 3.94Å; R154-F194 HydrophobicContact CG-CE2 3.48Å; R154-F194 VanDerWaalsContact CG-CE2 3.48Å; R154-F194 HydrophobicContact CG-CZ 4.39Å; F194-K198 HydrophobicContact CB-CB 4.11Å; F194-K198 HydrophobicContact CB-CG 4.02Å; F194-K198 HydrophobicContact CD1-CG 3.84Å; F194-K198 HydrophobicContact CD2-CG 4.48Å; F194-K198 HydrophobicContact CE1-CG 4.41Å; F194-K198 HydrophobicContact CG-CG 3.89Å; F194-R199 HydrophobicContact CB-CG 3.58Å; F194-R199 WeakPolarHBondContact O-CD 3.36Å; F194-R199 PolarHBondContact O-NE 2.78Å; F194-M202 HydrophobicContact CD2-SD 4.01Å; F194-M202 HydrophobicContact CE2-SD 4.14Å; F194-Y513 CarbonylContact C-O 3.56Å; F194-Y513 WeakPolarHBondContact CA-O 3.47Å; F194-Y513 AromaticContact CD1-CD1 3.39Å; F194-Y513 HydrophobicContact CD1-CD1 3.39Å; F194-Y513 HydrophobicContact CD1-CE1 4.03Å; F194-Y513 AromaticContact CD1-CG 3.92Å; F194-Y513 HydrophobicContact CD1-CG 3.92Å; F194-Y513 AromaticContact CE1-CD1 3.13Å; F194-Y513 HydrophobicContact CE1-CD1 3.13Å; F194-Y513 AromaticContact CE1-CE1 3.25Å; F194-Y513 HydrophobicContact CE1-CE1 3.25Å; F194-Y513 AromaticContact CE1-CG 3.97Å; F194-Y513 HydrophobicContact CE1-CG 3.97Å; F194-Y513 HydrophobicContact CG-CD1 4.35Å; F194-Y513 AromaticContact CZ-CD1 3.93Å; F194-Y513 HydrophobicContact CZ-CD1 3.93Å; F194-Y513 AromaticContact CZ-CE1 3.8Å; F194-Y513 HydrophobicContact CZ-CE1 3.8Å; F194-C514 HydrophobicContact CD1-CB 4.18Å
195S94Very high92.5Very high3 Ų346 Ų462%0.02123%0.228CC..PPolyproline II helixtrans-54.2156.2171.2640000111.8E197 K198 R199 G511 Y513 C514S195-E197 WeakPolarHBondContact CB-OE2 3.43Å; S195-E197 PolarHBondContact O-N 3.12Å; S195-K198 PolarHBondContact O-N 2.86Å; S195-K198 VanDerWaalsContact OG-CB 3.29Å; S195-K198 WeakPolarHBondContact OG-CB 3.49Å; S195-K198 PolarHBondContact OG-N 3.19Å; S195-R199 WeakPolarHBondContact O-CG 3.39Å; S195-R199 PolarHBondContact O-N 2.92Å; S195-R199 PolarHBondContact O-NE 3.3Å; S195-G511 VanDerWaalsContact CA-O 3.24Å; S195-G511 WeakPolarHBondContact CA-O 3.42Å; S195-Y513 PolarHBondContact N-O 2.82Å; S195-C514 PolarHBondContact OG-O 2.92Å
196W94.7Very high93.4Very high65 Ų6543 Ų4325%0.24621%0.206CC..Hα-helixtrans-60.5-39.7178.6175.187.5000110.8V178 K198 R199 S200 K221V178-W196 PolarHBondContact O-NE1 2.99Å; W196-K198 VanDerWaalsContact C-N 3.34Å; W196-K198 PolarHBondContact O-N 2.79Å; W196-R199 PolarHBondContact O-N 3.19Å; W196-S200 VanDerWaalsContact O-CB 3.28Å; W196-S200 WeakPolarHBondContact O-CB 3.49Å; W196-S200 PolarHBondContact O-N 2.98Å; W196-S200 PolarHBondContact O-OG 3.42Å; W196-K221 HydrophobicContact CD2-CD 4.25Å; W196-K221 HydrophobicContact CD2-CG 4.4Å; W196-K221 HydrophobicContact CG-CD 4.35Å; W196-K221 HydrophobicContact CG-CG 4.35Å; W196-K221 HydrophobicContact CZ2-CB 3.86Å
197E94.6Very high94.2Very high104 Ų10435.5 Ų35.549%0.48617%0.166SC..Hα-helixtrans-59.2-46.3177.1-62.868.2-148.300110.1S195 S200 Q201S195-E197 WeakPolarHBondContact CB-OE2 3.43Å; S195-E197 PolarHBondContact O-N 3.12Å; E197-S200 WeakPolarHBondContact CA-OG 3.44Å; E197-S200 PolarHBondContact O-OG 3.36Å; E197-Q201 VanDerWaalsContact O-CB 3.29Å; E197-Q201 WeakPolarHBondContact O-CB 2.98Å; E197-Q201 PolarHBondContact O-N 3.12Å
198K95.7Very high94.7Very high89 Ų8932.2 Ų32.239%0.38716%0.156SC..Hα-helixtrans-67.2-44.3178-176.961174.1-175.20112.1F194 S195 W196 Q201 M202 C514F194-K198 HydrophobicContact CB-CB 4.11Å; F194-K198 HydrophobicContact CB-CG 4.02Å; F194-K198 HydrophobicContact CD1-CG 3.84Å; F194-K198 HydrophobicContact CD2-CG 4.48Å; F194-K198 HydrophobicContact CE1-CG 4.41Å; F194-K198 HydrophobicContact CG-CG 3.89Å; S195-K198 PolarHBondContact O-N 2.86Å; S195-K198 VanDerWaalsContact OG-CB 3.29Å; S195-K198 WeakPolarHBondContact OG-CB 3.49Å; S195-K198 PolarHBondContact OG-N 3.19Å; W196-K198 VanDerWaalsContact C-N 3.34Å; W196-K198 PolarHBondContact O-N 2.79Å; K198-Q201 PolarHBondContact O-N 3.35Å; K198-M202 HydrophobicContact CG-SD 4.24Å; K198-M202 VanDerWaalsContact O-CG 3.23Å; K198-M202 WeakPolarHBondContact O-CG 3.26Å; K198-M202 PolarHBondContact O-N 3.28Å; K198-C514 HydrophobicContact CB-CB 4.28Å; K198-C514 HydrophobicContact CG-CB 4.23Å
199R97Very high95.3Very high2 Ų230.5 Ų30.51%0.00815%0.149CC..Hα-helixtrans-67.9-43.5-178.8-69.3-178.3-69.9110.52.5112.4T151 V178 T179 F194 S195 W196 M202 V203T151-R199 VanDerWaalsContact O-CD 3.31Å; T151-R199 WeakPolarHBondContact O-CD 3.42Å; T151-R199 PolarHBondContact O-NH1 3.4Å; V178-R199 HydrophobicContact CG1-CB 4.02Å; T179-R199 VanDerWaalsContact O-CZ 3.29Å; T179-R199 PolarHBondContact O-NH1 3.36Å; T179-R199 PolarHBondContact O-NH2 3.03Å; F194-R199 HydrophobicContact CB-CG 3.58Å; F194-R199 WeakPolarHBondContact O-CD 3.36Å; F194-R199 PolarHBondContact O-NE 2.78Å; S195-R199 WeakPolarHBondContact O-CG 3.39Å; S195-R199 PolarHBondContact O-N 2.92Å; S195-R199 PolarHBondContact O-NE 3.3Å; W196-R199 PolarHBondContact O-N 3.19Å; R199-M202 PolarHBondContact O-N 3.46Å; R199-V203 WeakPolarHBondContact O-CG2 3.37Å; R199-V203 PolarHBondContact O-N 3.49Å
200S97.4Very high95.5Very high15 Ų1530 Ų3011%0.10515%0.147CC..Hα-helixtrans-61.6-43.7174.656.20000111.3W196 E197 M202 V203 Q204 I219W196-S200 VanDerWaalsContact O-CB 3.28Å; W196-S200 WeakPolarHBondContact O-CB 3.49Å; W196-S200 PolarHBondContact O-N 2.98Å; W196-S200 PolarHBondContact O-OG 3.42Å; E197-S200 WeakPolarHBondContact CA-OG 3.44Å; E197-S200 PolarHBondContact O-OG 3.36Å; S200-M202 VanDerWaalsContact C-N 3.34Å; S200-M202 PolarHBondContact O-N 2.92Å; S200-V203 PolarHBondContact O-N 3.35Å; S200-Q204 WeakPolarHBondContact O-CB 3.2Å; S200-Q204 PolarHBondContact O-N 2.95Å; S200-I219 WeakPolarHBondContact O-CD1 3.41Å
201Q96.5Very high95.5Very high110 Ų11029.7 Ų29.751%0.51415%0.146SC..Hα-helixtrans-61.6-40.1174.3-176.46047.600112.4E197 K198 Q204 T205E197-Q201 VanDerWaalsContact O-CB 3.29Å; E197-Q201 WeakPolarHBondContact O-CB 2.98Å; E197-Q201 PolarHBondContact O-N 3.12Å; K198-Q201 PolarHBondContact O-N 3.35Å; Q201-Q204 PolarHBondContact O-N 3.36Å; Q201-T205 PolarHBondContact NE2-OG1 3.16Å; Q201-T205 VanDerWaalsContact NE2-OG1 3.09Å; Q201-T205 VanDerWaalsContact O-CB 3.32Å; Q201-T205 WeakPolarHBondContact O-CB 3.46Å; Q201-T205 PolarHBondContact O-N 2.9Å; Q201-T205 PolarHBondContact O-OG1 3.16Å
202M96.7Very high95.5Very high47 Ų4729.7 Ų29.723%0.23215%0.145CC..Hα-helixtrans-62.8-43.6176.4-73.2173.870.700111.6L155 F194 K198 R199 S200 T205 F206L155-M202 HydrophobicContact CB-CE 4.13Å; L155-M202 VanDerWaalsContact CD1-C 3.49Å; L155-M202 HydrophobicContact CD1-CB 3.83Å; L155-M202 VanDerWaalsContact CD1-O 3.31Å; L155-M202 WeakPolarHBondContact CD1-O 3.2Å; L155-M202 HydrophobicContact CG-CB 4.15Å; L155-M202 HydrophobicContact CG-CE 4.2Å; F194-M202 HydrophobicContact CD2-SD 4.01Å; F194-M202 HydrophobicContact CE2-SD 4.14Å; K198-M202 HydrophobicContact CG-SD 4.24Å; K198-M202 VanDerWaalsContact O-CG 3.23Å; K198-M202 WeakPolarHBondContact O-CG 3.26Å; K198-M202 PolarHBondContact O-N 3.28Å; R199-M202 PolarHBondContact O-N 3.46Å; S200-M202 VanDerWaalsContact C-N 3.34Å; S200-M202 PolarHBondContact O-N 2.92Å; M202-T205 PolarHBondContact O-N 3.18Å; M202-F206 WeakPolarHBondContact O-CB 3.38Å; M202-F206 PolarHBondContact O-N 3.38Å
203V98Very high95.4Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-62.1-49175.2171.10000110.6F152 L155 L163 V176 V178 R199 S200 T205 F206 L207 I219F152-V203 HydrophobicContact CB-CG2 3.68Å; F152-V203 HydrophobicContact CD1-CG2 4.1Å; F152-V203 HydrophobicContact CD2-CG2 4.13Å; F152-V203 HydrophobicContact CG-CG2 3.7Å; L155-V203 HydrophobicContact CD2-CG2 4.12Å; L163-V203 HydrophobicContact CD2-CG1 4.02Å; V176-V203 HydrophobicContact CB-CG1 4.36Å; V176-V203 HydrophobicContact CG1-CG1 3.76Å; V178-V203 HydrophobicContact CG2-CG2 4.33Å; R199-V203 WeakPolarHBondContact O-CG2 3.37Å; R199-V203 PolarHBondContact O-N 3.49Å; S200-V203 PolarHBondContact O-N 3.35Å; V203-T205 VanDerWaalsContact C-N 3.32Å; V203-T205 PolarHBondContact O-N 2.94Å; V203-F206 PolarHBondContact O-N 3.1Å; V203-L207 HydrophobicContact CG1-CD1 3.87Å; V203-L207 HydrophobicContact CG1-CG 4.34Å; V203-L207 WeakPolarHBondContact O-CG 3.2Å; V203-L207 PolarHBondContact O-N 3.12Å; V203-I219 HydrophobicContact CB-CD1 4.04Å; V203-I219 HydrophobicContact CG1-CD1 3.7Å; V203-I219 HydrophobicContact CG1-CG1 4.29Å
204Q96.8Very high95.3Very high59 Ų5935.2 Ų35.228%0.27618%0.178SC..Hα-helixtrans-55.5-48.6177.8-174.865.734.300111.6S200 Q201 L207 S208 M217 I219S200-Q204 WeakPolarHBondContact O-CB 3.2Å; S200-Q204 PolarHBondContact O-N 2.95Å; Q201-Q204 PolarHBondContact O-N 3.36Å; Q204-L207 PolarHBondContact O-N 2.89Å; Q204-S208 WeakPolarHBondContact O-CB 3.39Å; Q204-S208 PolarHBondContact O-N 2.66Å; Q204-S208 PolarHBondContact O-OG 3.01Å; Q204-M217 PolarHBondContact NE2-SD 3.23Å; Q204-M217 VanDerWaalsContact NE2-SD 3.37Å; Q204-I219 HydrophobicContact CB-CD1 3.62Å; Q204-I219 HydrophobicContact CG-CD1 4.44Å
205T95.9Very high95.2Very high44 Ų4440.7 Ų40.727%0.2720%0.204SC..Hα-helixtrans-62.1-48.2-179.5-53.30000110Q201 M202 V203 L207 S208 D209Q201-T205 PolarHBondContact NE2-OG1 3.16Å; Q201-T205 VanDerWaalsContact NE2-OG1 3.09Å; Q201-T205 VanDerWaalsContact O-CB 3.32Å; Q201-T205 WeakPolarHBondContact O-CB 3.46Å; Q201-T205 PolarHBondContact O-N 2.9Å; Q201-T205 PolarHBondContact O-OG1 3.16Å; M202-T205 PolarHBondContact O-N 3.18Å; V203-T205 VanDerWaalsContact C-N 3.32Å; V203-T205 PolarHBondContact O-N 2.94Å; T205-L207 PolarHBondContact O-N 3.28Å; T205-S208 PolarHBondContact O-N 3.08Å; T205-D209 WeakPolarHBondContact CG2-OD2 3.17Å; T205-D209 WeakPolarHBondContact O-CB 3.27Å; T205-D209 PolarHBondContact O-N 2.82Å
206F97.2Very high95.2Very high6 Ų642 Ų423%0.02621%0.211CC..Hα-helixtrans-60.3-45.4177.8175.4-97000113.1Y55 L155 K160 L163 M202 V203 S208 D209 I210Y55-F206 WeakPolarHBondContact OH-CZ 3.19Å; L155-F206 HydrophobicContact CD1-CB 3.88Å; L155-F206 HydrophobicContact CD1-CG 4.44Å; K160-F206 HydrophobicContact CB-CE1 4.38Å; K160-F206 HydrophobicContact CB-CE2 3.93Å; K160-F206 HydrophobicContact CB-CZ 3.62Å; K160-F206 HydrophobicContact CD-CD2 4.42Å; K160-F206 HydrophobicContact CD-CE2 3.77Å; K160-F206 HydrophobicContact CD-CZ 4.34Å; K160-F206 HydrophobicContact CG-CD2 4.18Å; K160-F206 HydrophobicContact CG-CE1 4.5Å; K160-F206 HydrophobicContact CG-CE2 3.57Å; K160-F206 HydrophobicContact CG-CZ 3.76Å; L163-F206 HydrophobicContact CB-CD1 3.98Å; L163-F206 HydrophobicContact CB-CE1 3.61Å; L163-F206 HydrophobicContact CD1-CD1 3.68Å; L163-F206 HydrophobicContact CD1-CE1 4.04Å; L163-F206 HydrophobicContact CG-CD1 4.45Å; L163-F206 HydrophobicContact CG-CE1 4.47Å; M202-F206 WeakPolarHBondContact O-CB 3.38Å; M202-F206 PolarHBondContact O-N 3.38Å; V203-F206 PolarHBondContact O-N 3.1Å; F206-S208 VanDerWaalsContact C-N 3.34Å; F206-S208 PolarHBondContact O-N 3.2Å; F206-D209 WeakPolarHBondContact O-CB 3.36Å; F206-D209 PolarHBondContact O-N 3.38Å; F206-I210 HydrophobicContact CD2-CG2 4.39Å; F206-I210 HydrophobicContact CE1-CD1 3.94Å; F206-I210 HydrophobicContact CE1-CG2 4.16Å; F206-I210 HydrophobicContact CE2-CG2 3.84Å; F206-I210 HydrophobicContact CZ-CD1 4.39Å; F206-I210 HydrophobicContact CZ-CG2 3.72Å; F206-I210 PolarHBondContact O-N 3.06Å
207L96.4Very high95.3Very high0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-63.1-42.3178.1-70.6174.6000111.5L163 L174 V176 V203 Q204 T205 D209 I210 G211 V212 M217L163-L207 HydrophobicContact CB-CD2 4.15Å; L163-L207 HydrophobicContact CD2-CD2 4.23Å; L174-L207 HydrophobicContact CD2-CD1 4.37Å; L174-L207 HydrophobicContact CD2-CD2 4.02Å; V176-L207 HydrophobicContact CG2-CD1 4.02Å; V203-L207 HydrophobicContact CG1-CD1 3.87Å; V203-L207 HydrophobicContact CG1-CG 4.34Å; V203-L207 WeakPolarHBondContact O-CG 3.2Å; V203-L207 PolarHBondContact O-N 3.12Å; Q204-L207 PolarHBondContact O-N 2.89Å; T205-L207 PolarHBondContact O-N 3.28Å; L207-D209 VanDerWaalsContact C-N 3.29Å; L207-D209 PolarHBondContact O-N 3.36Å; L207-I210 HydrophobicContact CD2-CD1 4.28Å; L207-I210 VanDerWaalsContact O-CG1 3.29Å; L207-I210 WeakPolarHBondContact O-CG1 3.42Å; L207-I210 PolarHBondContact O-N 2.87Å; L207-G211 PolarHBondContact O-N 3.18Å; L207-V212 HydrophobicContact CB-CB 4.15Å; L207-V212 HydrophobicContact CB-CG2 4.25Å; L207-V212 HydrophobicContact CD2-CG2 4.11Å; L207-V212 WeakPolarHBondContact O-CB 3.04Å; L207-V212 WeakPolarHBondContact O-CG2 3.45Å; L207-V212 PolarHBondContact O-N 3.18Å; L207-M217 HydrophobicContact CB-SD 3.6Å; L207-M217 VanDerWaalsContact CB-SD 3.6Å; L207-M217 HydrophobicContact CD1-CB 4.27Å; L207-M217 HydrophobicContact CD1-SD 3.89Å; L207-M217 HydrophobicContact CG-SD 4.42Å
208S94.7Very high95.4Very high31 Ų3140.1 Ų40.122%0.21720%0.204CC..Hα-helixtrans-62.7-38.2174.8-51.30000111.4T77 Q204 T205 F206 G211T77-S208 PolarHBondContact OG1-O 2.93Å; Q204-S208 WeakPolarHBondContact O-CB 3.39Å; Q204-S208 PolarHBondContact O-N 2.66Å; Q204-S208 PolarHBondContact O-OG 3.01Å; T205-S208 PolarHBondContact O-N 3.08Å; F206-S208 VanDerWaalsContact C-N 3.34Å; F206-S208 PolarHBondContact O-N 3.2Å; S208-G211 PolarHBondContact O-N 2.82Å
209D94.6Very high95.5Very high5 Ų537.6 Ų37.63%0.02719%0.194CC..Hα-helixtrans-69.7-31.3-179.9-73.8-50.4000114.1K32 F34 L70 S80 T205 F206 L207 G211K32-D209 IonicContact NZ-OD1 3.83Å; K32-D209 PolarHBondContact NZ-OD1 3.17Å; K32-D209 IonicContact NZ-OD2 3.31Å; K32-D209 PolarHBondContact NZ-OD2 3.45Å; F34-D209 HydrophobicContact CE1-CB 3.96Å; F34-D209 WeakPolarHBondContact CE1-O 3.38Å; L70-D209 WeakPolarHBondContact CD2-O 3.34Å; S80-D209 WeakPolarHBondContact CB-OD1 3.49Å; S80-D209 PolarHBondContact N-OD1 3.33Å; S80-D209 VanDerWaalsContact OG-CG 3.26Å; S80-D209 PolarHBondContact OG-OD1 3.44Å; S80-D209 PolarHBondContact OG-OD2 3.47Å; T205-D209 WeakPolarHBondContact CG2-OD2 3.17Å; T205-D209 WeakPolarHBondContact O-CB 3.27Å; T205-D209 PolarHBondContact O-N 2.82Å; F206-D209 WeakPolarHBondContact O-CB 3.36Å; F206-D209 PolarHBondContact O-N 3.38Å; L207-D209 VanDerWaalsContact C-N 3.29Å; L207-D209 PolarHBondContact O-N 3.36Å; D209-G211 VanDerWaalsContact C-N 3.29Å
210I94.9Very high95.5Very high0 Ų038.6 Ų38.60%020%0.2CC..THydrogen-bonded Turntrans-85.3-2175.867.3170.2000112.5C68 L69 L71 A167 F206 L207 V212C68-I210 HydrophobicContact CB-CG2 4.13Å; L69-I210 VanDerWaalsContact O-CB 3.32Å; L69-I210 WeakPolarHBondContact O-CB 3.24Å; L69-I210 VanDerWaalsContact O-CG2 3.27Å; L69-I210 WeakPolarHBondContact O-CG2 3.34Å; L71-I210 WeakPolarHBondContact CB-O 3.42Å; L71-I210 HydrophobicContact CD1-CD1 4.09Å; L71-I210 HydrophobicContact CD1-CG1 4.13Å; L71-I210 HydrophobicContact CD2-CD1 4.45Å; L71-I210 HydrophobicContact CG-CB 4.38Å; L71-I210 HydrophobicContact CG-CD1 4.21Å; L71-I210 HydrophobicContact CG-CG1 4.25Å; L71-I210 VanDerWaalsContact CG-O 3.27Å; L71-I210 WeakPolarHBondContact CG-O 3.44Å; L71-I210 PolarHBondContact N-O 3.43Å; A167-I210 HydrophobicContact CB-CD1 4.23Å; F206-I210 HydrophobicContact CD2-CG2 4.39Å; F206-I210 HydrophobicContact CE1-CD1 3.94Å; F206-I210 HydrophobicContact CE1-CG2 4.16Å; F206-I210 HydrophobicContact CE2-CG2 3.84Å; F206-I210 HydrophobicContact CZ-CD1 4.39Å; F206-I210 HydrophobicContact CZ-CG2 3.72Å; F206-I210 PolarHBondContact O-N 3.06Å; L207-I210 HydrophobicContact CD2-CD1 4.28Å; L207-I210 VanDerWaalsContact O-CG1 3.29Å; L207-I210 WeakPolarHBondContact O-CG1 3.42Å; L207-I210 PolarHBondContact O-N 2.87Å; I210-V212 HydrophobicContact CD1-CG2 4.15Å; I210-V212 HydrophobicContact CG1-CG2 4Å
211G92.7Very high95.5Very high6 Ų643.5 Ų43.56%0.06222%0.22CC..THydrogen-bonded Turntrans10211.7175.100000115.9T77 L207 S208 D209 Q213T77-G211 WeakPolarHBondContact OG1-CA 3.3Å; L207-G211 PolarHBondContact O-N 3.18Å; S208-G211 PolarHBondContact O-N 2.82Å; D209-G211 VanDerWaalsContact C-N 3.29Å; G211-Q213 PolarHBondContact O-N 3.38Å; G211-Q213 PolarHBondContact O-NE2 3.27Å
212V93.7Very high95.3Very high8 Ų839 Ų395%0.04820%0.199CC..  trans-72.9126.9176.4-1760000110L71 A167 L207 I210 V216 M217L71-V212 HydrophobicContact CD1-CG2 3.54Å; A167-V212 HydrophobicContact CB-CG2 3.57Å; L207-V212 HydrophobicContact CB-CB 4.15Å; L207-V212 HydrophobicContact CB-CG2 4.25Å; L207-V212 HydrophobicContact CD2-CG2 4.11Å; L207-V212 WeakPolarHBondContact O-CB 3.04Å; L207-V212 WeakPolarHBondContact O-CG2 3.45Å; L207-V212 PolarHBondContact O-N 3.18Å; I210-V212 HydrophobicContact CD1-CG2 4.15Å; I210-V212 HydrophobicContact CG1-CG2 4Å; V212-V216 HydrophobicContact CG1-CB 4.37Å; V212-V216 HydrophobicContact CG1-CG1 4.48Å; V212-M217 HydrophobicContact CG1-CB 3.86Å; V212-M217 HydrophobicContact CG1-CG 4.12Å; V212-M217 HydrophobicContact CG1-SD 4.3Å
213Q91.9Very high95Very high44 Ų4440.6 Ų40.621%0.20622%0.215CC..  trans-71.5141.4178.9-59.1-56.4-50.300111.6K75 G211 E215 V216 M217K75-Q213 PolarHBondContact O-NE2 3.3Å; G211-Q213 PolarHBondContact O-N 3.38Å; G211-Q213 PolarHBondContact O-NE2 3.27Å; Q213-E215 HydrophobicContact CB-CG 4.14Å; Q213-E215 PolarHBondContact O-N 3.1Å; Q213-V216 HydrophobicContact CB-CG2 4.22Å; Q213-V216 PolarHBondContact O-N 3.32Å; Q213-M217 PolarHBondContact O-N 2.6Å
214P92.7Very high94.7Very high74 Ų7442.8 Ų42.848%0.48123%0.227SC..THydrogen-bonded Turntrans-54.6-33.2179.1-26.735.6000114.8V216 M217P214-V216 VanDerWaalsContact C-N 3.33Å; P214-M217 HydrophobicContact CB-CE 4.46Å; P214-M217 HydrophobicContact CG-CE 4.42Å; P214-M217 VanDerWaalsContact O-O 3.11Å
215E93.5Very high94.3Very high143 Ų14347.4 Ų47.467%0.66825%0.246SC*.THydrogen-bonded Turntrans-71.2-25.417858.4-91.1-150.300113.7Q213Q213-E215 HydrophobicContact CB-CG 4.14Å; Q213-E215 PolarHBondContact O-N 3.1Å
216V93.7Very high94.2Very high30 Ų3048 Ų4818%0.18225%0.245CC..THydrogen-bonded Turntrans-83.3-38.4179.2177.10000110.4A170 H173 L174 V212 Q213 P214A170-V216 HydrophobicContact CB-CG1 4.45Å; H173-V216 CarbonylContact C-O 3.59Å; H173-V216 WeakPolarHBondContact CA-O 3.41Å; H173-V216 PolarHBondContact ND1-O 3.09Å; L174-V216 HydrophobicContact CB-CG1 4.38Å; L174-V216 PolarHBondContact N-O 2.66Å; V212-V216 HydrophobicContact CG1-CB 4.37Å; V212-V216 HydrophobicContact CG1-CG1 4.48Å; Q213-V216 HydrophobicContact CB-CG2 4.22Å; Q213-V216 PolarHBondContact O-N 3.32Å; P214-V216 VanDerWaalsContact C-N 3.33Å
217M96.1Very high94.1Very high13 Ų1347.9 Ų47.96%0.06425%0.245CC..EExtended strand (participates in β ladder)trans-91.2141.2-175.961175.2154.100114L174 Q204 L207 V212 Q213 P214L174-M217 CarbonylContact O-C 3.53Å; L174-M217 WeakPolarHBondContact O-CA 3.48Å; Q204-M217 PolarHBondContact NE2-SD 3.23Å; Q204-M217 VanDerWaalsContact NE2-SD 3.37Å; L207-M217 HydrophobicContact CB-SD 3.6Å; L207-M217 VanDerWaalsContact CB-SD 3.6Å; L207-M217 HydrophobicContact CD1-CB 4.27Å; L207-M217 HydrophobicContact CD1-SD 3.89Å; L207-M217 HydrophobicContact CG-SD 4.42Å; V212-M217 HydrophobicContact CG1-CB 3.86Å; V212-M217 HydrophobicContact CG1-CG 4.12Å; V212-M217 HydrophobicContact CG1-SD 4.3Å; Q213-M217 PolarHBondContact O-N 2.6Å; P214-M217 HydrophobicContact CB-CE 4.46Å; P214-M217 HydrophobicContact CG-CE 4.42Å; P214-M217 VanDerWaalsContact O-O 3.11Å
218K97.6Very high94.1Very high116 Ų11650.1 Ų50.150%0.50426%0.26SS..EExtended strand (participates in β ladder)trans-136.5116.8170.2-177.1178.1-178.6177.30110.5H173 L174 L175 V176 V220H173-K218 VanDerWaalsContact CE1-CB 3.46Å; H173-K218 WeakPolarHBondContact CE1-CB 2.97Å; L174-K218 PolarHBondContact O-N 2.91Å; L175-K218 CarbonylContact C-O 2.97Å; L175-K218 WeakPolarHBondContact CA-O 3.49Å; V176-K218 PolarHBondContact N-O 3.01Å; K218-V220 HydrophobicContact CD-CG1 4.33Å; K218-V220 HydrophobicContact CG-CG1 3.99Å
219I98Very high94.2Very high37 Ų3749 Ų4919%0.1925%0.252CS..EExtended strand (participates in β ladder)trans-93.3127.8175.7-56.9-179.5000109.1V176 V178 S200 V203 Q204V176-I219 HydrophobicContact CB-CG1 4.44Å; V176-I219 WeakPolarHBondContact O-CA 3.24Å; V178-I219 HydrophobicContact CG2-CG2 3.73Å; S200-I219 WeakPolarHBondContact O-CD1 3.41Å; V203-I219 HydrophobicContact CB-CD1 4.04Å; V203-I219 HydrophobicContact CG1-CD1 3.7Å; V203-I219 HydrophobicContact CG1-CG1 4.29Å; Q204-I219 HydrophobicContact CB-CD1 3.62Å; Q204-I219 HydrophobicContact CG-CD1 4.44Å
220V97Very high94.2Very high23 Ų2348.8 Ų48.814%0.13925%0.25CS..EExtended strand (participates in β ladder)trans-125.7151.8-179.6-58.60000111.5L175 V176 G177 V178 K218 L222 P228L175-V220 HydrophobicContact CD1-CG1 4.12Å; L175-V220 HydrophobicContact CD1-CG2 4.15Å; L175-V220 HydrophobicContact CD2-CG2 3.76Å; L175-V220 HydrophobicContact CG-CG1 4.43Å; L175-V220 HydrophobicContact CG-CG2 4.03Å; V176-V220 PolarHBondContact O-N 3.36Å; G177-V220 WeakPolarHBondContact CA-O 3.35Å; V178-V220 PolarHBondContact N-O 3.38Å; K218-V220 HydrophobicContact CD-CG1 4.33Å; K218-V220 HydrophobicContact CG-CG1 3.99Å; V220-L222 HydrophobicContact CG2-CD2 4.33Å; V220-P228 HydrophobicContact CG2-CG 4.22Å
221K96Very high94.3Very high118 Ų11855.1 Ų55.151%0.51328%0.275SS..EExtended strand (participates in β ladder)trans-80.8128.4172.1-171.5169.7-177.8176.70109.6V178 C180 W196V178-K221 WeakPolarHBondContact O-CA 3.48Å; C180-K221 HydrophobicContact CB-CD 4.38Å; C180-K221 VanDerWaalsContact CB-CE 3.42Å; C180-K221 HydrophobicContact CB-CG 4.1Å; W196-K221 HydrophobicContact CD2-CD 4.25Å; W196-K221 HydrophobicContact CD2-CG 4.4Å; W196-K221 HydrophobicContact CG-CD 4.35Å; W196-K221 HydrophobicContact CG-CG 4.35Å; W196-K221 HydrophobicContact CZ2-CB 3.86Å
222L93.7Very high94.5Very high14 Ų1456.3 Ų56.37%0.07328%0.282CS..EExtended strand (participates in β ladder)trans-97.9116173.3-59.1178.2000110.2G177 V178 T179 C180 L183 V220G177-L222 WeakPolarHBondContact O-CD1 3.28Å; V178-L222 PolarHBondContact O-N 3.17Å; T179-L222 HydrophobicContact CG2-CB 4.44Å; T179-L222 HydrophobicContact CG2-CD1 4.29Å; C180-L222 PolarHBondContact N-O 2.71Å; C180-L222 PolarHBondContact SG-O 3.12Å; L183-L222 HydrophobicContact CD1-CB 4.33Å; V220-L222 HydrophobicContact CG2-CD2 4.33Å
223S89.8Confident94.6Very high82 Ų8258.8 Ų58.857%0.57330%0.304SS*.SBendtrans-93.1-19.1171.247.50000113.4
224D91.9Very high94.7Very high46 Ų4660.4 Ų60.425%0.24631%0.312CS..SBendtrans-129.2173.5177.371.887000110.9L183 F226 G227L183-D224 VanDerWaalsContact CD1-O 3.26Å; L183-D224 WeakPolarHBondContact CD1-O 3.46Å; D224-F226 VanDerWaalsContact C-N 3.26Å; D224-F226 PolarHBondContact O-N 2.79Å; D224-F226 WeakPolarHBondContact OD1-CA 3.38Å; D224-F226 WeakPolarHBondContact OD1-CB 3.21Å; D224-F226 PolarHBondContact OD1-N 2.73Å; D224-G227 PolarHBondContact OD1-N 2.95Å
225K89.5Confident94.9Very high156 Ų15657.1 Ų57.168%0.67829%0.29SS*.SBendtrans-71.1-18.1-173.6-64.3179.5-178176.10114L183L183-K225 HydrophobicContact CD2-CG 4.06Å
226F93.6Very high95Very high57 Ų5753.4 Ų53.425%0.2528%0.275CS..SBendtrans-109.7-39.9-169.7-57-53000112.1D224 K250 L251 L254D224-F226 VanDerWaalsContact C-N 3.26Å; D224-F226 PolarHBondContact O-N 2.79Å; D224-F226 WeakPolarHBondContact OD1-CA 3.38Å; D224-F226 WeakPolarHBondContact OD1-CB 3.21Å; D224-F226 PolarHBondContact OD1-N 2.73Å; F226-K250 HydrophobicContact CE1-CB 4.01Å; F226-K250 HydrophobicContact CZ-CB 4.28Å; F226-L251 HydrophobicContact CB-CD1 3.86Å; F226-L251 HydrophobicContact CD1-CB 3.89Å; F226-L251 HydrophobicContact CD1-CD1 4.07Å; F226-L251 HydrophobicContact CE1-CB 4.32Å; F226-L251 HydrophobicContact CG-CD1 4.26Å; F226-L254 HydrophobicContact CB-CD2 4.11Å; F226-L254 HydrophobicContact CD2-CD2 3.46Å; F226-L254 VanDerWaalsContact CD2-CD2 3.46Å; F226-L254 HydrophobicContact CE2-CD2 3.97Å; F226-L254 HydrophobicContact CG-CD2 3.83Å
227G93.9Very high95.2Very high2 Ų252 Ų522%0.02127%0.266CS..  trans64.2-163.6-179.300000113.7D224 P229 G230 Y231D224-G227 PolarHBondContact OD1-N 2.95Å; G227-P229 VanDerWaalsContact C-N 3.29Å; G227-P229 VanDerWaalsContact O-N 3.13Å; G227-G230 PolarHBondContact O-N 3.47Å; G227-Y231 VanDerWaalsContact O-CD2 3.23Å; G227-Y231 WeakPolarHBondContact O-CD2 3.22Å
228P96.3Very high95.3Very high48 Ų4852.2 Ų52.231%0.31227%0.267SS..G310 helixtrans-50.6-36.3-178.5-26.734.8000115.5L175 V220 G230 Y231 S232 F235L175-P228 HydrophobicContact CD1-CB 4.13Å; L175-P228 HydrophobicContact CD1-CG 4.22Å; V220-P228 HydrophobicContact CG2-CG 4.22Å; P228-G230 PolarHBondContact O-N 3.16Å; P228-G230 VanDerWaalsContact O-N 3.15Å; P228-Y231 CarbonylContact O-C 3.54Å; P228-Y231 PolarHBondContact O-N 3.43Å; P228-S232 WeakPolarHBondContact O-CB 3.48Å; P228-S232 PolarHBondContact O-N 3.18Å; P228-F235 HydrophobicContact CB-CE2 4.49Å
229P96.7Very high95.3Very high7 Ų746.8 Ų46.85%0.04524%0.244CC..G310 helixtrans-60.7-20175.6-26.136.1000115.3C147 L175 G227 Y231 F235 L251 R255 L263C147-P229 HydrophobicContact CB-CG 3.62Å; C147-P229 VanDerWaalsContact SG-CG 3.53Å; L175-P229 HydrophobicContact CD2-CG 4.42Å; G227-P229 VanDerWaalsContact C-N 3.29Å; G227-P229 VanDerWaalsContact O-N 3.13Å; P229-Y231 VanDerWaalsContact C-N 3.3Å; P229-F235 HydrophobicContact CB-CD2 4.02Å; P229-F235 HydrophobicContact CB-CE2 4.44Å; P229-F235 HydrophobicContact CB-CG 4.43Å; P229-F235 HydrophobicContact CG-CD2 4.12Å; P229-F235 HydrophobicContact CG-CE2 4.14Å; P229-F235 HydrophobicContact CG-CG 4.44Å; P229-L251 HydrophobicContact CB-CD2 4.26Å; P229-R255 WeakPolarHBondContact O-CD 3.38Å; P229-R255 WeakPolarHBondContact O-CG 3.37Å; P229-R255 PolarHBondContact O-NH1 2.63Å; P229-L263 HydrophobicContact CB-CD1 4.19Å
230G95.9Very high95.1Very high0 Ų045.3 Ų45.30%024%0.237CC..G310 helixtrans-75-21.1172.600000113.6G227 P228 N258G227-G230 PolarHBondContact O-N 3.47Å; P228-G230 PolarHBondContact O-N 3.16Å; P228-G230 VanDerWaalsContact O-N 3.15Å; G230-N258 PolarHBondContact O-ND2 2.96Å
231Y96.2Very high94.7Very high133 Ų13344.6 Ų44.652%0.52223%0.233SC..THydrogen-bonded Turntrans-127.30.7-166.3-50.4-71.5000113.7G227 P228 P229 L254 F260G227-Y231 VanDerWaalsContact O-CD2 3.23Å; G227-Y231 WeakPolarHBondContact O-CD2 3.22Å; P228-Y231 CarbonylContact O-C 3.54Å; P228-Y231 PolarHBondContact O-N 3.43Å; P229-Y231 VanDerWaalsContact C-N 3.3Å; Y231-L254 HydrophobicContact CE1-CD2 4.25Å; Y231-F260 VanDerWaalsContact C-CE2 3.47Å
232S96.3Very high94.3Very high31 Ų3141.2 Ų41.222%0.21722%0.224CC..  trans-126.6131.6177179.30000111P228 E234 R255P228-S232 WeakPolarHBondContact O-CB 3.48Å; P228-S232 PolarHBondContact O-N 3.18Å; S232-E234 PolarHBondContact O-N 2.72Å; S232-E234 VanDerWaalsContact OG-CG 3.28Å; S232-E234 WeakPolarHBondContact OG-CG 3.47Å; S232-E234 PolarHBondContact OG-N 2.62Å; S232-E234 PolarHBondContact OG-OE1 3.2Å; S232-R255 PolarHBondContact O-NH1 2.95Å
233A95.8Very high93.7Very high61 Ų6144.4 Ų44.450%0.50424%0.241SC..THydrogen-bonded Turntrans-74.1-11.918000000113.7F235 F260A233-F235 VanDerWaalsContact C-N 3.29Å; A233-F235 PolarHBondContact O-N 3.48Å; A233-F260 HydrophobicContact CB-CD1 3.55Å; A233-F260 HydrophobicContact CB-CE1 3.8Å; A233-F260 HydrophobicContact CB-CG 4.13Å
234E95.6Very high93.7Very high78 Ų7842.6 Ų42.636%0.36423%0.229SC..THydrogen-bonded Turntrans-73.4-10.9-166.277.2-168.9120.300115.5R145 S232R145-E234 VanDerWaalsContact CB-O 3.26Å; R145-E234 WeakPolarHBondContact CB-O 3.37Å; R145-E234 WeakPolarHBondContact CD-O 3.4Å; R145-E234 IonicContact NH1-OE2 3.34Å; R145-E234 PolarHBondContact NH1-OE2 3.44Å; S232-E234 PolarHBondContact O-N 2.72Å; S232-E234 VanDerWaalsContact OG-CG 3.28Å; S232-E234 WeakPolarHBondContact OG-CG 3.47Å; S232-E234 PolarHBondContact OG-N 2.62Å; S232-E234 PolarHBondContact OG-OE1 3.2Å
235F96.9Very high93.7Very high4 Ų443.5 Ų43.52%0.01823%0.233CC..  trans-92.1141.8-174.5-61.1-77.7000111.8C147 H173 L175 P228 P229 A233 R255 L263C147-F235 HydrophobicContact CB-CD1 3.83Å; C147-F235 HydrophobicContact CB-CE1 4.12Å; C147-F235 HydrophobicContact CB-CG 4.41Å; H173-F235 AromaticContact CD2-CE1 4Å; L175-F235 HydrophobicContact CB-CE1 3.69Å; L175-F235 HydrophobicContact CB-CZ 4.13Å; L175-F235 HydrophobicContact CD1-CE1 4.07Å; L175-F235 HydrophobicContact CD1-CZ 3.59Å; L175-F235 HydrophobicContact CG-CE1 4.4Å; L175-F235 HydrophobicContact CG-CZ 4.37Å; P228-F235 HydrophobicContact CB-CE2 4.49Å; P229-F235 HydrophobicContact CB-CD2 4.02Å; P229-F235 HydrophobicContact CB-CE2 4.44Å; P229-F235 HydrophobicContact CB-CG 4.43Å; P229-F235 HydrophobicContact CG-CD2 4.12Å; P229-F235 HydrophobicContact CG-CE2 4.14Å; P229-F235 HydrophobicContact CG-CG 4.44Å; A233-F235 VanDerWaalsContact C-N 3.29Å; A233-F235 PolarHBondContact O-N 3.48Å; F235-R255 PolarHBondContact O-NH2 3.14Å; F235-L263 VanDerWaalsContact C-CD2 3.41Å; F235-L263 HydrophobicContact CB-CD2 3.61Å; F235-L263 WeakPolarHBondContact O-CD2 3.43Å
236D95.7Very high93.9Very high66 Ų6640.7 Ų40.735%0.35323%0.226SC..  trans-106.8-33.3-179.2-47.5-53.4000112S144 R145 K264S144-D236 PolarHBondContact N-OD2 2.88Å; R145-D236 PolarHBondContact N-OD2 2.94Å; R145-D236 PolarHBondContact O-N 2.83Å; D236-K264 PolarHBondContact O-N 3.38Å
237C97.5Very high93.9Very high0 Ų041.4 Ų41.40%023%0.232CC..EExtended strand (participates in β ladder)trans-141.2141.9-171.1-178.50000112.1I143 R145 V146 C147 K264I143-C237 HydrophobicContact CD1-CB 4.28Å; I143-C237 HydrophobicContact CG1-CB 4.4Å; I143-C237 HydrophobicContact CG2-CB 3.66Å; R145-C237 PolarHBondContact O-N 3.1Å; V146-C237 WeakPolarHBondContact CA-O 3.42Å; V146-C237 HydrophobicContact CG2-CB 4.35Å; C147-C237 PolarHBondContact N-O 3.38Å; C147-C237 PolarHBondContact SG-O 3.47Å; C147-C237 VanDerWaalsContact SG-O 3.37Å; C237-K264 CarbonylContact C-O 3.57Å; C237-K264 VanDerWaalsContact CA-O 3.26Å; C237-K264 WeakPolarHBondContact CA-O 3.41Å; C237-K264 HydrophobicContact CB-CB 4.45Å; C237-K264 PolarHBondContact SG-O 3.29Å
238I97.7Very high94.1Very high17 Ų1741.6 Ų41.69%0.08723%0.233CC..EExtended strand (participates in β ladder)trans-116.2129.6167.3-175165.5000109.8C147 C248 L251 L263 K264 I265 E266C147-I238 VanDerWaalsContact O-CA 3.28Å; C147-I238 WeakPolarHBondContact O-CA 3.39Å; I238-C248 HydrophobicContact CG2-CB 4.44Å; I238-L251 HydrophobicContact CD1-CD2 3.57Å; I238-L263 HydrophobicContact CB-CB 4.38Å; I238-L263 HydrophobicContact CB-CD1 3.85Å; I238-L263 HydrophobicContact CG2-CB 3.93Å; I238-L263 HydrophobicContact CG2-CD1 4.08Å; I238-K264 PolarHBondContact N-O 2.99Å; I238-I265 HydrophobicContact CG2-CB 4.28Å; I238-I265 HydrophobicContact CG2-CG1 3.8Å; I238-I265 HydrophobicContact CG2-CG2 4.38Å; I238-I265 WeakPolarHBondContact O-CA 3.16Å; I238-E266 PolarHBondContact O-N 2.91Å
239V96.7Very high94.1Very high3 Ų343.1 Ų43.12%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-97.1128.4173.4-166.30000109.4V146 C147 L148 L162 V165 L169 E266 I268V146-V239 HydrophobicContact CG1-CG2 3.59Å; C147-V239 PolarHBondContact O-N 3.23Å; L148-V239 HydrophobicContact CB-CB 4.34Å; L148-V239 WeakPolarHBondContact CB-O 3.49Å; L162-V239 HydrophobicContact CD1-CB 4.15Å; L162-V239 HydrophobicContact CD1-CG1 3.7Å; V165-V239 HydrophobicContact CB-CG1 4.42Å; V165-V239 HydrophobicContact CG1-CG1 3.96Å; L169-V239 HydrophobicContact CD1-CG2 3.89Å; V239-E266 WeakPolarHBondContact CA-O 3.47Å; V239-E266 HydrophobicContact CG1-CB 4.35Å; V239-E266 HydrophobicContact CG1-CG 4.43Å; V239-E266 HydrophobicContact CG2-CB 4.2Å; V239-I268 HydrophobicContact CG1-CD1 3.48Å; V239-I268 VanDerWaalsContact CG1-CD1 3.48Å; V239-I268 HydrophobicContact CG1-CG1 4Å
240A94.2Very high94.2Very high5 Ų547 Ų474%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-142.5159.1-17300000112.7C248 E266 V267 I268A240-C248 WeakPolarHBondContact CB-SG 3.18Å; A240-E266 PolarHBondContact N-O 2.94Å; A240-V267 CarbonylContact O-C 3.58Å; A240-V267 WeakPolarHBondContact O-CA 3.36Å; A240-I268 PolarHBondContact O-N 3.44Å
241S89.5Confident94.2Very high9 Ų947.2 Ų47.26%0.06325%0.253CS..EExtended strand (participates in β ladder)trans-80.5159.9166.571.30000111.2D243 S244 L245S241-D243 PolarHBondContact O-N 3.47Å; S241-S244 PolarHBondContact O-N 2.88Å; S241-S244 PolarHBondContact OG-N 3.31Å; S241-S244 PolarHBondContact OG-OG 2.98Å; S241-L245 PolarHBondContact O-N 3.48Å
242S86.5Confident94.3Very high47 Ų4741.2 Ų41.233%0.32923%0.23SC..G310 helixtrans-53.1-38.2171.153.70000112.8S244 L245 I268S242-S244 PolarHBondContact O-N 2.97Å; S242-L245 WeakPolarHBondContact O-CB 3.4Å; S242-L245 PolarHBondContact O-N 3.31Å; S242-I268 PolarHBondContact N-O 2.81Å
243D82.4Confident94.4Very high80 Ų8045.3 Ų45.343%0.42825%0.246SC..G310 helixtrans-67.1-20176.6-74.2-29.6000114.3S241 Y272 K275S241-D243 PolarHBondContact O-N 3.47Å; D243-Y272 WeakPolarHBondContact OD2-CE2 3.48Å; D243-K275 VanDerWaalsContact OD1-CE 3.31Å; D243-K275 WeakPolarHBondContact OD1-CE 3.46Å; D243-K275 IonicContact OD1-NZ 3.42Å
244S89Confident94.5Very high44 Ų4444.4 Ų44.431%0.30823%0.232SC..G310 helixtrans-101.93.1-178.4-53.40000113S241 S242 D246 N247 C248S241-S244 PolarHBondContact O-N 2.88Å; S241-S244 PolarHBondContact OG-N 3.31Å; S241-S244 PolarHBondContact OG-OG 2.98Å; S242-S244 PolarHBondContact O-N 2.97Å; S244-D246 PolarHBondContact O-N 3.25Å; S244-N247 PolarHBondContact O-N 3.13Å; S244-N247 VanDerWaalsContact O-N 3.17Å; S244-C248 PolarHBondContact O-N 3.47Å; S244-C248 VanDerWaalsContact O-N 3.12Å; S244-C248 PolarHBondContact O-SG 2.67Å
245L92.1Very high94.6Very high66 Ų6640.7 Ų40.735%0.34622%0.215SC..Hα-helixtrans-59.1-45.5-175.9-177.758.9000112.3S241 S242 N247 C248 E249 I265 V267S241-L245 PolarHBondContact O-N 3.48Å; S242-L245 WeakPolarHBondContact O-CB 3.4Å; S242-L245 PolarHBondContact O-N 3.31Å; L245-N247 VanDerWaalsContact C-N 3.29Å; L245-N247 PolarHBondContact O-N 3.14Å; L245-C248 WeakPolarHBondContact O-CA 3.48Å; L245-C248 WeakPolarHBondContact O-CB 3.48Å; L245-C248 PolarHBondContact O-N 3.43Å; L245-E249 PolarHBondContact O-N 3.44Å; L245-I265 HydrophobicContact CD1-CD1 4.27Å; L245-I265 HydrophobicContact CD1-CG2 3.93Å; L245-V267 HydrophobicContact CD1-CG2 3.96Å
246D93.7Very high94.7Very high97 Ų9746.9 Ų46.952%0.51924%0.238SC..Hα-helixtrans-58.2-38.8176.9173.867000112.6S244 C248 E249 K250S244-D246 PolarHBondContact O-N 3.25Å; D246-C248 VanDerWaalsContact C-N 3.32Å; D246-C248 PolarHBondContact O-N 2.9Å; D246-E249 PolarHBondContact O-N 2.83Å; D246-K250 WeakPolarHBondContact O-CG 3.33Å; D246-K250 PolarHBondContact O-N 2.93Å; D246-K250 VanDerWaalsContact O-N 3.12Å; D246-K250 WeakPolarHBondContact OD1-CE 3.37Å; D246-K250 IonicContact OD1-NZ 3.71Å; D246-K250 PolarHBondContact OD1-NZ 3.01Å; D246-K250 WeakPolarHBondContact OD2-CE 3.19Å; D246-K250 IonicContact OD2-NZ 2.78Å; D246-K250 PolarHBondContact OD2-NZ 3.41Å
247N93.7Very high94.8Very high71 Ų7147.7 Ų47.738%0.3825%0.254SS..Hα-helixtrans-69.2-31.7175.2-70.1-35.9000112.2S244 L245 L251S244-N247 PolarHBondContact O-N 3.13Å; S244-N247 VanDerWaalsContact O-N 3.17Å; L245-N247 VanDerWaalsContact C-N 3.29Å; L245-N247 PolarHBondContact O-N 3.14Å; N247-L251 WeakPolarHBondContact O-CB 3.45Å; N247-L251 PolarHBondContact O-N 3.07Å
248C96.9Very high94.8Very high6 Ų651.1 Ų51.14%0.04127%0.273CS..Hα-helixtrans-71.9-36.5176.9-60.60000111.8I238 A240 S244 L245 D246 L251 N252 I265I238-C248 HydrophobicContact CG2-CB 4.44Å; A240-C248 WeakPolarHBondContact CB-SG 3.18Å; S244-C248 PolarHBondContact O-N 3.47Å; S244-C248 VanDerWaalsContact O-N 3.12Å; S244-C248 PolarHBondContact O-SG 2.67Å; L245-C248 WeakPolarHBondContact O-CA 3.48Å; L245-C248 WeakPolarHBondContact O-CB 3.48Å; L245-C248 PolarHBondContact O-N 3.43Å; D246-C248 VanDerWaalsContact C-N 3.32Å; D246-C248 PolarHBondContact O-N 2.9Å; C248-L251 WeakPolarHBondContact O-CB 3.41Å; C248-L251 PolarHBondContact O-N 2.89Å; C248-N252 PolarHBondContact O-N 3.33Å; C248-I265 HydrophobicContact CB-CD1 3.67Å; C248-I265 HydrophobicContact CB-CG1 4.1Å; C248-I265 HydrophobicContact CB-CG2 4.17Å
249E97.7Very high94.7Very high81 Ų8153.7 Ų53.738%0.37930%0.304SS..Hα-helixtrans-65.5-44.1173.4-66.6-58.4163.500111.5L245 D246 L251 N252 E253 I265L245-E249 PolarHBondContact O-N 3.44Å; D246-E249 PolarHBondContact O-N 2.83Å; E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 2.82Å; E249-N252 CarbonylContact O-C 3.58Å; E249-N252 WeakPolarHBondContact O-CA 3.38Å; E249-N252 WeakPolarHBondContact O-CB 3.29Å; E249-N252 PolarHBondContact O-N 3.42Å; E249-E253 WeakPolarHBondContact O-CG 3.21Å; E249-E253 PolarHBondContact O-N 3.14Å; E249-I265 HydrophobicContact CG-CD1 4.44Å; E249-I265 VanDerWaalsContact OE1-CD1 3.31Å; E249-I265 WeakPolarHBondContact OE1-CD1 3.38Å
250K97.7Very high94.8Very high88 Ų8856 Ų5638%0.38331%0.314SS..Hα-helixtrans-60.2-36.9172.8-72.1168.4-178.8163.40112.9F226 D246 N252 E253 L254F226-K250 HydrophobicContact CE1-CB 4.01Å; F226-K250 HydrophobicContact CZ-CB 4.28Å; D246-K250 WeakPolarHBondContact O-CG 3.33Å; D246-K250 PolarHBondContact O-N 2.93Å; D246-K250 VanDerWaalsContact O-N 3.12Å; D246-K250 WeakPolarHBondContact OD1-CE 3.37Å; D246-K250 IonicContact OD1-NZ 3.71Å; D246-K250 PolarHBondContact OD1-NZ 3.01Å; D246-K250 WeakPolarHBondContact OD2-CE 3.19Å; D246-K250 IonicContact OD2-NZ 2.78Å; D246-K250 PolarHBondContact OD2-NZ 3.41Å; K250-N252 VanDerWaalsContact C-N 3.35Å; K250-E253 WeakPolarHBondContact O-CB 3.22Å; K250-E253 PolarHBondContact O-N 3.34Å; K250-L254 PolarHBondContact O-N 3.17Å
251L97.5Very high94.9Very high5 Ų564.3 Ų64.33%0.02635%0.349CS..Hα-helixtrans-61.9-44171.7171.463.8000111.1F226 P229 I238 N247 C248 E249 E253 L254 R255 L263F226-L251 HydrophobicContact CB-CD1 3.86Å; F226-L251 HydrophobicContact CD1-CB 3.89Å; F226-L251 HydrophobicContact CD1-CD1 4.07Å; F226-L251 HydrophobicContact CE1-CB 4.32Å; F226-L251 HydrophobicContact CG-CD1 4.26Å; P229-L251 HydrophobicContact CB-CD2 4.26Å; I238-L251 HydrophobicContact CD1-CD2 3.57Å; N247-L251 WeakPolarHBondContact O-CB 3.45Å; N247-L251 PolarHBondContact O-N 3.07Å; C248-L251 WeakPolarHBondContact O-CB 3.41Å; C248-L251 PolarHBondContact O-N 2.89Å; E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 2.82Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-E253 PolarHBondContact O-N 2.84Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 PolarHBondContact O-N 3.04Å; L251-R255 HydrophobicContact CD1-CG 4.3Å; L251-R255 WeakPolarHBondContact O-CG 3.33Å; L251-R255 PolarHBondContact O-N 3.08Å; L251-L263 HydrophobicContact CD2-CD1 3.85Å
252N98.2Very high95.2Very high6 Ų667 Ų673%0.03237%0.366CS..Hα-helixtrans-66.5-33.9177.6-84.1-20.9000112.6C248 E249 K250 R255 R256 P262 L263C248-N252 PolarHBondContact O-N 3.33Å; E249-N252 CarbonylContact O-C 3.58Å; E249-N252 WeakPolarHBondContact O-CA 3.38Å; E249-N252 WeakPolarHBondContact O-CB 3.29Å; E249-N252 PolarHBondContact O-N 3.42Å; K250-N252 VanDerWaalsContact C-N 3.35Å; N252-R255 PolarHBondContact O-N 3.34Å; N252-R256 VanDerWaalsContact O-CG 3.28Å; N252-R256 WeakPolarHBondContact O-CG 3.09Å; N252-R256 PolarHBondContact O-N 2.85Å; N252-P262 HydrophobicContact CB-CB 4.22Å; N252-P262 WeakPolarHBondContact OD1-CA 3.47Å; N252-L263 PolarHBondContact ND2-O 2.96Å; N252-L263 VanDerWaalsContact ND2-O 3.16Å; N252-L263 PolarHBondContact OD1-N 2.8Å
253E98.1Very high95.8Very high118 Ų11865.1 Ų65.155%0.55135%0.352SS*.Hα-helixtrans-60.3-48.7169.1-68.8171178.100111.6E249 K250 L251 R255 R256 A257E249-E253 WeakPolarHBondContact O-CG 3.21Å; E249-E253 PolarHBondContact O-N 3.14Å; K250-E253 WeakPolarHBondContact O-CB 3.22Å; K250-E253 PolarHBondContact O-N 3.34Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-E253 PolarHBondContact O-N 2.84Å; E253-R255 VanDerWaalsContact C-N 3.34Å; E253-R255 PolarHBondContact O-N 2.96Å; E253-R256 PolarHBondContact O-N 3.46Å; E253-A257 PolarHBondContact O-N 2.74Å
254L97.8Very high96.5Very high41 Ų4164.7 Ų64.722%0.21535%0.347CS..Hα-helixtrans-59.9-43175.7177.663.5000111.9F226 Y231 K250 L251 A257 N258F226-L254 HydrophobicContact CB-CD2 4.11Å; F226-L254 HydrophobicContact CD2-CD2 3.46Å; F226-L254 VanDerWaalsContact CD2-CD2 3.46Å; F226-L254 HydrophobicContact CE2-CD2 3.97Å; F226-L254 HydrophobicContact CG-CD2 3.83Å; Y231-L254 HydrophobicContact CE1-CD2 4.25Å; K250-L254 PolarHBondContact O-N 3.17Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 PolarHBondContact O-N 3.04Å; L254-A257 WeakPolarHBondContact O-CB 3.45Å; L254-A257 PolarHBondContact O-N 3.29Å; L254-N258 PolarHBondContact O-N 3.22Å; L254-N258 PolarHBondContact O-ND2 3.25Å
255R98.2Very high96.8Very high1 Ų164.2 Ų64.20%0.00434%0.34CS..Hα-helixtrans-61.1-45.3176.9-75.9-178.665.985.1-4.5111.9P229 S232 F235 L251 N252 E253 A257 N258 G259 F260 K261 L263P229-R255 WeakPolarHBondContact O-CD 3.38Å; P229-R255 WeakPolarHBondContact O-CG 3.37Å; P229-R255 PolarHBondContact O-NH1 2.63Å; S232-R255 PolarHBondContact O-NH1 2.95Å; F235-R255 PolarHBondContact O-NH2 3.14Å; L251-R255 HydrophobicContact CD1-CG 4.3Å; L251-R255 WeakPolarHBondContact O-CG 3.33Å; L251-R255 PolarHBondContact O-N 3.08Å; N252-R255 PolarHBondContact O-N 3.34Å; E253-R255 VanDerWaalsContact C-N 3.34Å; E253-R255 PolarHBondContact O-N 2.96Å; R255-A257 VanDerWaalsContact C-N 3.31Å; R255-A257 PolarHBondContact O-N 3.26Å; R255-N258 CarbonylContact O-C 3.47Å; R255-N258 PolarHBondContact O-N 3.47Å; R255-N258 VanDerWaalsContact O-N 3.14Å; R255-G259 PolarHBondContact O-N 3.03Å; R255-G259 VanDerWaalsContact O-N 3.16Å; R255-F260 HydrophobicContact CB-CB 4.11Å; R255-F260 HydrophobicContact CG-CD2 4.47Å; R255-F260 PolarHBondContact O-N 3.08Å; R255-K261 VanDerWaalsContact CZ-O 3.28Å; R255-K261 PolarHBondContact NE-O 2.97Å; R255-K261 PolarHBondContact NH2-O 3.42Å; R255-L263 VanDerWaalsContact CZ-CD2 3.47Å
256R98.1Very high96.9Very high133 Ų13362 Ų6250%0.50233%0.328SS..Hα-helixtrans-60.6-41.9175.5-71.3176.3-163.5110.8-3.6111.4N252 E253 N258 G259N252-R256 VanDerWaalsContact O-CG 3.28Å; N252-R256 WeakPolarHBondContact O-CG 3.09Å; N252-R256 PolarHBondContact O-N 2.85Å; E253-R256 PolarHBondContact O-N 3.46Å; R256-N258 VanDerWaalsContact C-N 3.27Å; R256-N258 PolarHBondContact O-N 3.47Å; R256-G259 PolarHBondContact O-N 2.91Å; R256-G259 VanDerWaalsContact O-N 3.07Å
257A97.4Very high96.9Very high84 Ų8459.4 Ų59.469%0.69432%0.315SS*.Hα-helixtrans-62.6-33.7175.900000112.6E253 L254 R255 G259E253-A257 PolarHBondContact O-N 2.74Å; L254-A257 WeakPolarHBondContact O-CB 3.45Å; L254-A257 PolarHBondContact O-N 3.29Å; R255-A257 VanDerWaalsContact C-N 3.31Å; R255-A257 PolarHBondContact O-N 3.26Å; A257-G259 VanDerWaalsContact C-N 3.29Å; A257-G259 PolarHBondContact O-N 3.46Å
258N97.1Very high96.6Very high71 Ų7156.1 Ų56.138%0.3830%0.298SS..THydrogen-bonded Turntrans-84.55.6174.9-70.1-25.4000114G230 L254 R255 R256 F260G230-N258 PolarHBondContact O-ND2 2.96Å; L254-N258 PolarHBondContact O-N 3.22Å; L254-N258 PolarHBondContact O-ND2 3.25Å; R255-N258 CarbonylContact O-C 3.47Å; R255-N258 PolarHBondContact O-N 3.47Å; R255-N258 VanDerWaalsContact O-N 3.14Å; R256-N258 VanDerWaalsContact C-N 3.27Å; R256-N258 PolarHBondContact O-N 3.47Å; N258-F260 VanDerWaalsContact C-N 3.32Å; N258-F260 HydrophobicContact CB-CD2 3.84Å; N258-F260 HydrophobicContact CB-CE2 3.7Å; N258-F260 HydrophobicContact CB-CG 4.4Å; N258-F260 HydrophobicContact CB-CZ 4.17Å; N258-F260 PolarHBondContact O-N 3.08Å
259G97.1Very high95.7Very high72 Ų7261.5 Ų61.574%0.74233%0.326SS*.THydrogen-bonded Turntrans75.515.1-179.900000114.9R255 R256 A257R255-G259 PolarHBondContact O-N 3.03Å; R255-G259 VanDerWaalsContact O-N 3.16Å; R256-G259 PolarHBondContact O-N 2.91Å; R256-G259 VanDerWaalsContact O-N 3.07Å; A257-G259 VanDerWaalsContact C-N 3.29Å; A257-G259 PolarHBondContact O-N 3.46Å
260F97.5Very high94.3Very high52 Ų5259 Ų5923%0.22831%0.314CS..PPolyproline II helixtrans-93.2151.2177.2-52.2-33.2000111.8Y231 A233 R255 N258Y231-F260 VanDerWaalsContact C-CE2 3.47Å; A233-F260 HydrophobicContact CB-CD1 3.55Å; A233-F260 HydrophobicContact CB-CE1 3.8Å; A233-F260 HydrophobicContact CB-CG 4.13Å; R255-F260 HydrophobicContact CB-CB 4.11Å; R255-F260 HydrophobicContact CG-CD2 4.47Å; R255-F260 PolarHBondContact O-N 3.08Å; N258-F260 VanDerWaalsContact C-N 3.32Å; N258-F260 HydrophobicContact CB-CD2 3.84Å; N258-F260 HydrophobicContact CB-CE2 3.7Å; N258-F260 HydrophobicContact CB-CG 4.4Å; N258-F260 HydrophobicContact CB-CZ 4.17Å; N258-F260 PolarHBondContact O-N 3.08Å
261K96.4Very high92.3Very high178 Ų17859.5 Ų59.577%0.77432%0.32SS*.PPolyproline II helixtrans-64140171.9-65.5-179-177.9178.10110.1R255R255-K261 VanDerWaalsContact CZ-O 3.28Å; R255-K261 PolarHBondContact NE-O 2.97Å; R255-K261 PolarHBondContact NH2-O 3.42Å
262P97.2Very high90.1Very high66 Ų6662.9 Ų62.943%0.42933%0.333SS..PPolyproline II helixtrans-62.4146.4173.828.8-34.9000110.3N252N252-P262 HydrophobicContact CB-CB 4.22Å; N252-P262 WeakPolarHBondContact OD1-CA 3.47Å
263L97.4Very high87.5Confident7 Ų764.3 Ų64.34%0.03734%0.343CS..PPolyproline II helixtrans-76.3141.2174.8-56.6178.1000110P229 F235 I238 L251 N252 R255 I265P229-L263 HydrophobicContact CB-CD1 4.19Å; F235-L263 VanDerWaalsContact C-CD2 3.41Å; F235-L263 HydrophobicContact CB-CD2 3.61Å; F235-L263 WeakPolarHBondContact O-CD2 3.43Å; I238-L263 HydrophobicContact CB-CB 4.38Å; I238-L263 HydrophobicContact CB-CD1 3.85Å; I238-L263 HydrophobicContact CG2-CB 3.93Å; I238-L263 HydrophobicContact CG2-CD1 4.08Å; L251-L263 HydrophobicContact CD2-CD1 3.85Å; N252-L263 PolarHBondContact ND2-O 2.96Å; N252-L263 VanDerWaalsContact ND2-O 3.16Å; N252-L263 PolarHBondContact OD1-N 2.8Å; R255-L263 VanDerWaalsContact CZ-CD2 3.47Å; L263-I265 PolarHBondContact O-N 3.08Å
264K96.7Very high84.7Confident72 Ų7262.7 Ų62.731%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-64.3120.5162.3179.3171.4172-179.80108.3S139 I143 D236 C237 I238S139-K264 PolarHBondContact O-NZ 3.37Å; I143-K264 HydrophobicContact CD1-CD 3.92Å; D236-K264 PolarHBondContact O-N 3.38Å; C237-K264 CarbonylContact C-O 3.57Å; C237-K264 VanDerWaalsContact CA-O 3.26Å; C237-K264 WeakPolarHBondContact CA-O 3.41Å; C237-K264 HydrophobicContact CB-CB 4.45Å; C237-K264 PolarHBondContact SG-O 3.29Å; I238-K264 PolarHBondContact N-O 2.99Å
265I96.5Very high81.9Confident34 Ų3469 Ų6917%0.17438%0.376CS..EExtended strand (participates in β ladder)trans-90.1110178.8-56.4171.6000108.4I238 L245 C248 E249 L263 V267I238-I265 HydrophobicContact CG2-CB 4.28Å; I238-I265 HydrophobicContact CG2-CG1 3.8Å; I238-I265 HydrophobicContact CG2-CG2 4.38Å; I238-I265 WeakPolarHBondContact O-CA 3.16Å; L245-I265 HydrophobicContact CD1-CD1 4.27Å; L245-I265 HydrophobicContact CD1-CG2 3.93Å; C248-I265 HydrophobicContact CB-CD1 3.67Å; C248-I265 HydrophobicContact CB-CG1 4.1Å; C248-I265 HydrophobicContact CB-CG2 4.17Å; E249-I265 HydrophobicContact CG-CD1 4.44Å; E249-I265 VanDerWaalsContact OE1-CD1 3.31Å; E249-I265 WeakPolarHBondContact OE1-CD1 3.38Å; L263-I265 PolarHBondContact O-N 3.08Å; I265-V267 HydrophobicContact CG2-CG2 3.84Å
266E94.7Very high79.4Confident20 Ų2071.2 Ų71.29%0.09339%0.387CS..EExtended strand (participates in β ladder)trans-90105.4171.7-173.869.1-160.300109.6K48 H140 V165 L169 I238 V239 A240K48-E266 WeakPolarHBondContact CE-OE1 3.29Å; K48-E266 IonicContact NZ-OE1 2.63Å; K48-E266 PolarHBondContact NZ-OE1 3.01Å; H140-E266 IonicContact CE1-OE2 3.44Å; H140-E266 PolarHBondContact CE1-OE2 2.85Å; V165-E266 HydrophobicContact CG1-CG 4.35Å; L169-E266 HydrophobicContact CD1-CB 3.99Å; L169-E266 HydrophobicContact CD1-CG 3.81Å; I238-E266 PolarHBondContact O-N 2.91Å; V239-E266 WeakPolarHBondContact CA-O 3.47Å; V239-E266 HydrophobicContact CG1-CB 4.35Å; V239-E266 HydrophobicContact CG1-CG 4.43Å; V239-E266 HydrophobicContact CG2-CB 4.2Å; A240-E266 PolarHBondContact N-O 2.94Å
267V92.7Very high76.7Confident41 Ų4167.7 Ų67.725%0.24838%0.383CS..EExtended strand (participates in β ladder)trans-87.5134-179.9-174.50000111.1K48 A240 L245 I265K48-V267 PolarHBondContact NZ-O 2.77Å; K48-V267 VanDerWaalsContact NZ-O 3.15Å; A240-V267 CarbonylContact O-C 3.58Å; A240-V267 WeakPolarHBondContact O-CA 3.36Å; L245-V267 HydrophobicContact CD1-CG2 3.96Å; I265-V267 HydrophobicContact CG2-CG2 3.84Å
268I88.2Confident74.2Confident2 Ų269.6 Ų69.61%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-109.2118169.9-58.2169.8000108I161 L162 V165 V239 A240 S242 F270I161-I268 HydrophobicContact CG2-CD1 4.36Å; I161-I268 HydrophobicContact CG2-CG2 3.6Å; L162-I268 HydrophobicContact CB-CD1 4.36Å; L162-I268 HydrophobicContact CD1-CD1 3.86Å; V165-I268 HydrophobicContact CB-CD1 3.63Å; V165-I268 HydrophobicContact CB-CG1 4.4Å; V165-I268 HydrophobicContact CG1-CD1 3.87Å; V165-I268 HydrophobicContact CG1-CG1 4.2Å; V165-I268 HydrophobicContact CG2-CD1 3.85Å; V165-I268 HydrophobicContact CG2-CG1 4.39Å; V239-I268 HydrophobicContact CG1-CD1 3.48Å; V239-I268 VanDerWaalsContact CG1-CD1 3.48Å; V239-I268 HydrophobicContact CG1-CG1 4Å; A240-I268 PolarHBondContact O-N 3.44Å; S242-I268 PolarHBondContact N-O 2.81Å; I268-F270 HydrophobicContact CB-CE1 4.46Å; I268-F270 HydrophobicContact CG2-CD1 3.96Å; I268-F270 HydrophobicContact CG2-CE1 3.7Å; I268-F270 HydrophobicContact CG2-CZ 4.39Å; I268-F270 PolarHBondContact O-N 2.69Å
269N76.7Confident71.8Confident119 Ų11974.8 Ų74.864%0.63640%0.404SS*.  trans-82.7114170.6-68.7-25.6000108.4
270F68.2Low69.3Low30 Ų3074.8 Ų74.813%0.13239%0.391CS..  trans-84.2145168.3-54.8-60.5000109.4G158 I161 L162 I268 Y272G158-F270 WeakPolarHBondContact O-CE1 3.48Å; G158-F270 VanDerWaalsContact O-CZ 3.29Å; G158-F270 WeakPolarHBondContact O-CZ 3.27Å; I161-F270 HydrophobicContact CB-CE1 4.15Å; I161-F270 HydrophobicContact CD1-CD1 4.21Å; I161-F270 HydrophobicContact CD1-CE1 4.47Å; I161-F270 HydrophobicContact CG2-CE1 4.45Å; L162-F270 HydrophobicContact CB-CZ 4.3Å; I268-F270 HydrophobicContact CB-CE1 4.46Å; I268-F270 HydrophobicContact CG2-CD1 3.96Å; I268-F270 HydrophobicContact CG2-CE1 3.7Å; I268-F270 HydrophobicContact CG2-CZ 4.39Å; I268-F270 PolarHBondContact O-N 2.69Å; F270-Y272 VanDerWaalsContact C-N 3.26Å; F270-Y272 HydrophobicContact CB-CD1 4.48Å; F270-Y272 HydrophobicContact CB-CD2 3.87Å; F270-Y272 HydrophobicContact CB-CE1 4.29Å; F270-Y272 HydrophobicContact CB-CE2 3.69Å; F270-Y272 HydrophobicContact CB-CG 4.28Å; F270-Y272 HydrophobicContact CD2-CD2 4.42Å; F270-Y272 HydrophobicContact CD2-CE1 4.31Å; F270-Y272 AromaticContact CD2-CE2 3.43Å; F270-Y272 HydrophobicContact CD2-CE2 3.43Å; F270-Y272 VanDerWaalsContact CD2-CE2 3.43Å; F270-Y272 AromaticContact CD2-CZ 3.34Å; F270-Y272 WeakPolarHBondContact CD2-OH 3.31Å; F270-Y272 HydrophobicContact CE2-CE2 4.45Å; F270-Y272 WeakPolarHBondContact CE2-OH 3.46Å; F270-Y272 HydrophobicContact CG-CE2 4.04Å; F270-Y272 AromaticContact CG-CZ 4Å; F270-Y272 PolarHBondContact O-N 2.83Å
271I56.7Low67.2Low97 Ų9778.1 Ų78.150%0.49741%0.406SS..  trans-73.190161.9-55.1174.4000106.4T56T56-I271 HydrophobicContact CG2-CD1 4.09Å; T56-I271 HydrophobicContact CG2-CG1 4.49Å
272Y50.2Low65.4Low77 Ų7772 Ų7230%0.30239%0.388SS..  trans-89.4134.5165.7-69.5-63.9000109D243 F270D243-Y272 WeakPolarHBondContact OD2-CE2 3.48Å; F270-Y272 VanDerWaalsContact C-N 3.26Å; F270-Y272 HydrophobicContact CB-CD1 4.48Å; F270-Y272 HydrophobicContact CB-CD2 3.87Å; F270-Y272 HydrophobicContact CB-CE1 4.29Å; F270-Y272 HydrophobicContact CB-CE2 3.69Å; F270-Y272 HydrophobicContact CB-CG 4.28Å; F270-Y272 HydrophobicContact CD2-CD2 4.42Å; F270-Y272 HydrophobicContact CD2-CE1 4.31Å; F270-Y272 AromaticContact CD2-CE2 3.43Å; F270-Y272 HydrophobicContact CD2-CE2 3.43Å; F270-Y272 VanDerWaalsContact CD2-CE2 3.43Å; F270-Y272 AromaticContact CD2-CZ 3.34Å; F270-Y272 WeakPolarHBondContact CD2-OH 3.31Å; F270-Y272 HydrophobicContact CE2-CE2 4.45Å; F270-Y272 WeakPolarHBondContact CE2-OH 3.46Å; F270-Y272 HydrophobicContact CG-CE2 4.04Å; F270-Y272 AromaticContact CG-CZ 4Å; F270-Y272 PolarHBondContact O-N 2.83Å
273S44.1Very low63.4Low35 Ų3572 Ų7225%0.24538%0.38CS..  trans-74.7151.2149.266.60000109.4D289S273-D289 VanDerWaalsContact CB-OD1 3.28Å; S273-D289 WeakPolarHBondContact CB-OD1 3.13Å; S273-D289 PolarHBondContact OG-OD1 3.43Å
274A40.5Very low61.7Low85 Ų8572.6 Ų72.670%0.70238%0.384SS*.  trans-38.2149.5-157.400000117.3I276 K291A274-I276 PolarHBondContact O-N 2.75Å; A274-K291 PolarHBondContact O-NZ 3.36Å
275K39.1Very low60.1Low174 Ų17469.6 Ų69.676%0.75737%0.371SS*.PPolyproline II helixtrans-51.1137.2174.2-78.2-179175.8177.60110.9D243D243-K275 VanDerWaalsContact OD1-CE 3.31Å; D243-K275 WeakPolarHBondContact OD1-CE 3.46Å; D243-K275 IonicContact OD1-NZ 3.42Å
276I45.3Very low58.4Low46 Ų4672 Ų7224%0.23639%0.385CS..PPolyproline II helixtrans-81.6125.3170.2-71.8147.3000105.9Y188 A274 P284 F285 K291Y188-I276 HydrophobicContact CE2-CG2 4.5Å; A274-I276 PolarHBondContact O-N 2.75Å; I276-P284 WeakPolarHBondContact CG1-O 3.34Å; I276-P284 HydrophobicContact CG2-CB 4.42Å; I276-F285 HydrophobicContact CD1-CD1 3.48Å; I276-F285 VanDerWaalsContact CD1-CD1 3.48Å; I276-F285 HydrophobicContact CD1-CE1 3.13Å; I276-F285 HydrophobicContact CD1-CZ 3.98Å; I276-F285 HydrophobicContact CG1-CD1 4.36Å; I276-F285 HydrophobicContact CG1-CE1 4.37Å; I276-K291 HydrophobicContact CD1-CD 3.91Å; I276-K291 HydrophobicContact CG1-CD 4.41Å; I276-K291 VanDerWaalsContact N-NZ 3.17Å
277S41.6Very low56.4Low60 Ų6076.5 Ų76.542%0.4241%0.408SS..PPolyproline II helixtrans-72.5130166530000108.4E279 C280S277-E279 PolarHBondContact O-N 2.9Å; S277-E279 VanDerWaalsContact O-N 3.17Å; S277-C280 PolarHBondContact OG-SG 3.37Å; S277-C280 VanDerWaalsContact OG-SG 3.32Å
278N44Very low54.4Low123 Ų12378.9 Ų78.966%0.65843%0.427SS*.THydrogen-bonded Turntrans-69.9-3.6172.5-74.8-2.8000113Y188Y188-N278 WeakPolarHBondContact CE2-OD1 3.31Å; Y188-N278 WeakPolarHBondContact OH-CA 3.27Å; Y188-N278 PolarHBondContact OH-OD1 3.24Å; Y188-N278 VanDerWaalsContact OH-OD1 3.13Å
279E46.5Very low52.9Low180 Ų18081.8 Ų81.884%0.84144%0.443SS*.THydrogen-bonded Turntrans-92.5-17.8-170.6-64.2175.8-179.600113.2S277S277-E279 PolarHBondContact O-N 2.9Å; S277-E279 VanDerWaalsContact O-N 3.17Å
280C46.1Very low51.9Low72 Ų7281.1 Ų81.149%0.48644%0.438SS..  trans-91.9121.7-176.9-65.30000111.5S277 A282S277-C280 PolarHBondContact OG-SG 3.37Å; S277-C280 VanDerWaalsContact OG-SG 3.32Å; C280-A282 HydrophobicContact CB-CB 4.31Å; C280-A282 PolarHBondContact O-N 3.4Å
281K51.9Low51.2Low123 Ų12380.8 Ų80.854%0.53544%0.437SS..  trans-72.5-11168-70.3-174.8176.9179.90113.6W531 D532K281-W531 WeakPolarHBondContact O-CB 3.49Å; K281-D532 VanDerWaalsContact O-CG 3.32Å; K281-D532 PolarHBondContact O-N 2.97Å; K281-D532 VanDerWaalsContact O-N 3.13Å
282A60Low51.5Low48 Ų4878 Ų7840%0.39742%0.422SS..SBendtrans-54.7156.117000000111.9C280 P284 D532C280-A282 HydrophobicContact CB-CB 4.31Å; C280-A282 PolarHBondContact O-N 3.4Å; A282-P284 WeakPolarHBondContact O-CD 3.45Å; A282-D532 VanDerWaalsContact CA-OD2 3.29Å; A282-D532 WeakPolarHBondContact CA-OD2 3.46Å
283Y54.6Low52.8Low67 Ų6775.4 Ų75.426%0.26342%0.415SS..  trans-48.4113.5174.1-167.8-94.2000109.5F285 L287 F299 C535Y283-F285 WeakPolarHBondContact CD1-O 3.38Å; Y283-F285 WeakPolarHBondContact CE1-O 3.2Å; Y283-F285 PolarHBondContact O-N 2.83Å; Y283-L287 HydrophobicContact CE1-CD2 4.45Å; Y283-L287 HydrophobicContact CE1-CG 4.13Å; Y283-L287 VanDerWaalsContact OH-CD2 3.3Å; Y283-L287 WeakPolarHBondContact OH-CD2 3.34Å; Y283-F299 AromaticContact CD2-CZ 3.97Å; Y283-F299 HydrophobicContact CD2-CZ 3.97Å; Y283-F299 HydrophobicContact CE1-CE1 4.1Å; Y283-F299 HydrophobicContact CE1-CZ 4.32Å; Y283-F299 AromaticContact CE2-CE1 3.75Å; Y283-F299 HydrophobicContact CE2-CE1 3.75Å; Y283-F299 AromaticContact CE2-CZ 3.47Å; Y283-F299 HydrophobicContact CE2-CZ 3.47Å; Y283-F299 VanDerWaalsContact CE2-CZ 3.47Å; Y283-F299 AromaticContact CZ-CE1 3.46Å; Y283-F299 VanDerWaalsContact CZ-CE1 3.46Å; Y283-F299 AromaticContact CZ-CZ 3.68Å; Y283-F299 WeakPolarHBondContact OH-CE1 3.29Å; Y283-C535 HydrophobicContact CD2-CB 3.97Å
284P61.5Low54.8Low19 Ų1974.3 Ų74.312%0.12341%0.408CS..SBendtrans-73.9-3.5-16023.7-32.9000114.5I276 A282 F299 W531I276-P284 WeakPolarHBondContact CG1-O 3.34Å; I276-P284 HydrophobicContact CG2-CB 4.42Å; A282-P284 WeakPolarHBondContact O-CD 3.45Å; P284-F299 HydrophobicContact CG-CD2 4.16Å; P284-F299 HydrophobicContact CG-CE2 3.87Å; P284-F299 HydrophobicContact CG-CZ 4.47Å; P284-W531 HydrophobicContact CG-CD2 4.35Å; P284-W531 HydrophobicContact CG-CZ2 4.1Å
285F62.8Low56.9Low10 Ų1071.2 Ų71.24%0.04438%0.381CS..SBendtrans-143.3133.2-174.4-54.1-83.5000110.5I276 Y283 L287 K296 F299I276-F285 HydrophobicContact CD1-CD1 3.48Å; I276-F285 VanDerWaalsContact CD1-CD1 3.48Å; I276-F285 HydrophobicContact CD1-CE1 3.13Å; I276-F285 HydrophobicContact CD1-CZ 3.98Å; I276-F285 HydrophobicContact CG1-CD1 4.36Å; I276-F285 HydrophobicContact CG1-CE1 4.37Å; Y283-F285 WeakPolarHBondContact CD1-O 3.38Å; Y283-F285 WeakPolarHBondContact CE1-O 3.2Å; Y283-F285 PolarHBondContact O-N 2.83Å; F285-L287 PolarHBondContact O-N 3.44Å; F285-K296 HydrophobicContact CB-CD 3.45Å; F285-K296 VanDerWaalsContact CB-CD 3.45Å; F285-K296 HydrophobicContact CD1-CB 3.94Å; F285-K296 HydrophobicContact CD1-CD 3.35Å; F285-K296 HydrophobicContact CD1-CG 4.18Å; F285-K296 HydrophobicContact CD2-CD 3.75Å; F285-K296 HydrophobicContact CE1-CB 3.63Å; F285-K296 HydrophobicContact CE1-CD 3.92Å; F285-K296 HydrophobicContact CE1-CG 4.36Å; F285-K296 HydrophobicContact CE2-CD 4.34Å; F285-K296 HydrophobicContact CG-CD 3.25Å; F285-K296 HydrophobicContact CG-CG 4.46Å; F285-K296 HydrophobicContact CZ-CB 4.11Å; F285-K296 HydrophobicContact CZ-CD 4.41Å; F285-F299 HydrophobicContact CD2-CB 4.04Å; F285-F299 AromaticContact CD2-CD1 3.78Å; F285-F299 HydrophobicContact CD2-CD1 3.78Å; F285-F299 HydrophobicContact CD2-CD2 4.03Å; F285-F299 HydrophobicContact CD2-CE1 4.23Å; F285-F299 HydrophobicContact CD2-CE2 4.44Å; F285-F299 AromaticContact CD2-CG 3.66Å; F285-F299 HydrophobicContact CD2-CG 3.66Å; F285-F299 HydrophobicContact CE2-CB 3.49Å; F285-F299 VanDerWaalsContact CE2-CB 3.49Å; F285-F299 HydrophobicContact CE2-CD1 4.09Å; F285-F299 AromaticContact CE2-CD2 3.75Å; F285-F299 HydrophobicContact CE2-CD2 3.75Å; F285-F299 AromaticContact CE2-CG 3.5Å; F285-F299 HydrophobicContact CE2-CG 3.5Å; F285-F299 VanDerWaalsContact CE2-CG 3.5Å; F285-F299 HydrophobicContact CZ-CB 4.27Å
286D60Low59Low84 Ų8463.6 Ų63.645%0.44935%0.348SS..  trans-59.3140.5164.6-169.7-10.1000109.3S288 D289 K296D286-S288 PolarHBondContact O-N 2.82Å; D286-S288 PolarHBondContact OD1-N 3.03Å; D286-S288 PolarHBondContact OD1-OG 3.25Å; D286-S288 PolarHBondContact OD2-OG 3.28Å; D286-D289 HydrophobicContact CB-CB 3.86Å; D286-D289 WeakPolarHBondContact CB-OD2 3.47Å; D286-D289 PolarHBondContact O-N 2.72Å; D286-K296 PolarHBondContact O-NZ 2.91Å
287L54Low61Low114 Ų11464.2 Ų64.260%0.59735%0.351SS*.SBendtrans-64.2-26.2169.7-78.5165.8000110.8Y283 F285Y283-L287 HydrophobicContact CE1-CD2 4.45Å; Y283-L287 HydrophobicContact CE1-CG 4.13Å; Y283-L287 VanDerWaalsContact OH-CD2 3.3Å; Y283-L287 WeakPolarHBondContact OH-CD2 3.34Å; F285-L287 PolarHBondContact O-N 3.44Å
288S50.3Low63.3Low91 Ų9161.4 Ų61.464%0.63633%0.331SS*.SBendtrans-84.8-15.2178.290.20000114.3D286 I290D286-S288 PolarHBondContact O-N 2.82Å; D286-S288 PolarHBondContact OD1-N 3.03Å; D286-S288 PolarHBondContact OD1-OG 3.25Å; D286-S288 PolarHBondContact OD2-OG 3.28Å; S288-I290 PolarHBondContact O-N 3.2Å
289D57.4Low65.5Low64 Ų6456 Ų5634%0.34230%0.302SS..  trans-72.3125.3-173.6-101.9-39.6000113.2S273 D286 K291S273-D289 VanDerWaalsContact CB-OD1 3.28Å; S273-D289 WeakPolarHBondContact CB-OD1 3.13Å; S273-D289 PolarHBondContact OG-OD1 3.43Å; D286-D289 HydrophobicContact CB-CB 3.86Å; D286-D289 WeakPolarHBondContact CB-OD2 3.47Å; D286-D289 PolarHBondContact O-N 2.72Å; D289-K291 HydrophobicContact CB-CB 4.38Å; D289-K291 PolarHBondContact O-N 3.04Å
290I54.8Low67.5Low104 Ų10450.7 Ų50.753%0.53328%0.28SS..  trans-78.233.7173.9-49.1166.6000110.8S288 L292S288-I290 PolarHBondContact O-N 3.2Å; I290-L292 PolarHBondContact O-N 3.33Å
291K53Low69.6Low24 Ų2450.5 Ų50.510%0.10427%0.272CS..  trans-72.1105.6-176-167170.2-177.3168.30111.4A274 I276 D289 C293A274-K291 PolarHBondContact O-NZ 3.36Å; I276-K291 HydrophobicContact CD1-CD 3.91Å; I276-K291 HydrophobicContact CG1-CD 4.41Å; I276-K291 VanDerWaalsContact N-NZ 3.17Å; D289-K291 HydrophobicContact CB-CB 4.38Å; D289-K291 PolarHBondContact O-N 3.04Å; K291-C293 PolarHBondContact O-N 2.91Å; K291-C293 VanDerWaalsContact O-N 3.16Å
292L65Low71.7Confident37 Ų3744.8 Ų44.819%0.19425%0.247CC..  trans-82.779.6175.1-81.8157.2000112C59 H156 Y157 I290C59-L292 HydrophobicContact CB-CD1 3.78Å; C59-L292 WeakPolarHBondContact SG-CD1 3.35Å; C59-L292 VanDerWaalsContact SG-CG 3.56Å; H156-L292 HydrophobicContact CB-CD2 3.85Å; H156-L292 PolarHBondContact CE1-O 3.37Å; Y157-L292 HydrophobicContact CD2-CD1 4.28Å; Y157-L292 HydrophobicContact CD2-CD2 3.81Å; Y157-L292 HydrophobicContact CG-CD2 4.43Å; I290-L292 PolarHBondContact O-N 3.33Å
293C76.2Confident73.4Confident24 Ų2442.5 Ų42.516%0.16223%0.228CC..  trans-129.7149163.672.60000110.5K291 S295 K296 L297K291-C293 PolarHBondContact O-N 2.91Å; K291-C293 VanDerWaalsContact O-N 3.16Å; C293-S295 PolarHBondContact O-N 2.93Å; C293-K296 PolarHBondContact O-N 3.24Å; C293-K296 PolarHBondContact SG-N 2.89Å; C293-L297 PolarHBondContact O-N 3.44Å
294S85.3Confident75.3Confident12 Ų1240.8 Ų40.88%0.08423%0.226CC..Hα-helixtrans-53.3-30176.8-510000112.9D153 H156 H159 L297 R298D153-S294 WeakPolarHBondContact O-CB 3.49Å; D153-S294 PolarHBondContact O-OG 3.38Å; H156-S294 PolarHBondContact CD2-N 3.48Å; H156-S294 PolarHBondContact CD2-OG 3.09Å; H159-S294 PolarHBondContact CE1-OG 2.81Å; S294-L297 PolarHBondContact O-N 2.93Å; S294-R298 WeakPolarHBondContact O-CG 3.45Å; S294-R298 PolarHBondContact O-N 3.07Å; S294-R298 PolarHBondContact O-NH1 3.46Å
295S85.1Confident77Confident20 Ų2042.8 Ų42.814%0.1424%0.235CC..Hα-helixtrans-64.9-41.9177.4-53.40000113C293 L297 R298 F299C293-S295 PolarHBondContact O-N 2.93Å; S295-L297 VanDerWaalsContact C-N 3.34Å; S295-R298 PolarHBondContact O-N 2.9Å; S295-R298 PolarHBondContact OG-NH2 3.23Å; S295-F299 WeakPolarHBondContact O-CB 3.38Å; S295-F299 PolarHBondContact O-N 2.81Å
296K82.7Confident78.5Confident14 Ų1443.7 Ų43.76%0.06124%0.24CC..Hα-helixtrans-65-41.5175-179.474.5-175.9-171.20110.6F285 D286 C293 R298 F299 N300F285-K296 HydrophobicContact CB-CD 3.45Å; F285-K296 VanDerWaalsContact CB-CD 3.45Å; F285-K296 HydrophobicContact CD1-CB 3.94Å; F285-K296 HydrophobicContact CD1-CD 3.35Å; F285-K296 HydrophobicContact CD1-CG 4.18Å; F285-K296 HydrophobicContact CD2-CD 3.75Å; F285-K296 HydrophobicContact CE1-CB 3.63Å; F285-K296 HydrophobicContact CE1-CD 3.92Å; F285-K296 HydrophobicContact CE1-CG 4.36Å; F285-K296 HydrophobicContact CE2-CD 4.34Å; F285-K296 HydrophobicContact CG-CD 3.25Å; F285-K296 HydrophobicContact CG-CG 4.46Å; F285-K296 HydrophobicContact CZ-CB 4.11Å; F285-K296 HydrophobicContact CZ-CD 4.41Å; D286-K296 PolarHBondContact O-NZ 2.91Å; C293-K296 PolarHBondContact O-N 3.24Å; C293-K296 PolarHBondContact SG-N 2.89Å; K296-R298 PolarHBondContact O-N 2.83Å; K296-F299 WeakPolarHBondContact O-CB 3.5Å; K296-F299 PolarHBondContact O-N 3.41Å; K296-N300 VanDerWaalsContact CE-OD1 3.29Å; K296-N300 WeakPolarHBondContact CE-OD1 3.49Å; K296-N300 VanDerWaalsContact O-CG 3.26Å; K296-N300 PolarHBondContact O-N 2.81Å; K296-N300 PolarHBondContact O-OD1 3.39Å
297L87.6Confident80.1Confident58 Ų5842.8 Ų42.830%0.30423%0.232SC..Hα-helixtrans-60.6-46.7176.5-63.7-179.5000111.3R154 H156 C293 S294 S295 F299 N300 E301R154-L297 HydrophobicContact CB-CB 4.39Å; R154-L297 HydrophobicContact CB-CD1 3.76Å; R154-L297 WeakPolarHBondContact O-CD1 3.45Å; H156-L297 HydrophobicContact CB-CD1 4Å; C293-L297 PolarHBondContact O-N 3.44Å; S294-L297 PolarHBondContact O-N 2.93Å; S295-L297 VanDerWaalsContact C-N 3.34Å; L297-F299 VanDerWaalsContact C-N 3.31Å; L297-F299 PolarHBondContact O-N 2.93Å; L297-N300 PolarHBondContact O-N 3.24Å; L297-E301 WeakPolarHBondContact O-CG 3.42Å; L297-E301 PolarHBondContact O-N 3.33Å
298R91.3Very high82Confident2 Ų242.8 Ų42.81%0.00824%0.239CC..Hα-helixtrans-59.3-41.5173.3-75.1-170.3-56-81.7-0.1112.7D153 Y188 L189 L192 S294 S295 K296 E301D153-R298 WeakPolarHBondContact OD2-CD 3.4Å; D153-R298 IonicContact OD2-CZ 2.9Å; D153-R298 IonicContact OD2-NE 3.82Å; D153-R298 IonicContact OD2-NH1 2.9Å; D153-R298 PolarHBondContact OD2-NH1 2.86Å; Y188-R298 VanDerWaalsContact O-CZ 3.29Å; Y188-R298 PolarHBondContact O-NE 3.26Å; Y188-R298 PolarHBondContact O-NH2 3.19Å; L189-R298 HydrophobicContact CB-CB 4.29Å; L189-R298 HydrophobicContact CD1-CB 4.05Å; L189-R298 WeakPolarHBondContact O-CD 3.5Å; L192-R298 HydrophobicContact CB-CG 4.24Å; S294-R298 WeakPolarHBondContact O-CG 3.45Å; S294-R298 PolarHBondContact O-N 3.07Å; S294-R298 PolarHBondContact O-NH1 3.46Å; S295-R298 PolarHBondContact O-N 2.9Å; S295-R298 PolarHBondContact OG-NH2 3.23Å; K296-R298 PolarHBondContact O-N 2.83Å; R298-E301 WeakPolarHBondContact O-CB 3.29Å; R298-E301 PolarHBondContact O-N 2.87Å
299F89.3Confident84Confident8 Ų840.4 Ų40.44%0.03522%0.221CC..Hα-helixtrans-64.3-41.7178.7-177.3-86.2000112L189 Y283 P284 F285 S295 K296 L297 E301 L302 W531L189-F299 HydrophobicContact CD1-CB 4.32Å; Y283-F299 AromaticContact CD2-CZ 3.97Å; Y283-F299 HydrophobicContact CD2-CZ 3.97Å; Y283-F299 HydrophobicContact CE1-CE1 4.1Å; Y283-F299 HydrophobicContact CE1-CZ 4.32Å; Y283-F299 AromaticContact CE2-CE1 3.75Å; Y283-F299 HydrophobicContact CE2-CE1 3.75Å; Y283-F299 AromaticContact CE2-CZ 3.47Å; Y283-F299 HydrophobicContact CE2-CZ 3.47Å; Y283-F299 VanDerWaalsContact CE2-CZ 3.47Å; Y283-F299 AromaticContact CZ-CE1 3.46Å; Y283-F299 VanDerWaalsContact CZ-CE1 3.46Å; Y283-F299 AromaticContact CZ-CZ 3.68Å; Y283-F299 WeakPolarHBondContact OH-CE1 3.29Å; P284-F299 HydrophobicContact CG-CD2 4.16Å; P284-F299 HydrophobicContact CG-CE2 3.87Å; P284-F299 HydrophobicContact CG-CZ 4.47Å; F285-F299 HydrophobicContact CD2-CB 4.04Å; F285-F299 AromaticContact CD2-CD1 3.78Å; F285-F299 HydrophobicContact CD2-CD1 3.78Å; F285-F299 HydrophobicContact CD2-CD2 4.03Å; F285-F299 HydrophobicContact CD2-CE1 4.23Å; F285-F299 HydrophobicContact CD2-CE2 4.44Å; F285-F299 AromaticContact CD2-CG 3.66Å; F285-F299 HydrophobicContact CD2-CG 3.66Å; F285-F299 HydrophobicContact CE2-CB 3.49Å; F285-F299 VanDerWaalsContact CE2-CB 3.49Å; F285-F299 HydrophobicContact CE2-CD1 4.09Å; F285-F299 AromaticContact CE2-CD2 3.75Å; F285-F299 HydrophobicContact CE2-CD2 3.75Å; F285-F299 AromaticContact CE2-CG 3.5Å; F285-F299 HydrophobicContact CE2-CG 3.5Å; F285-F299 VanDerWaalsContact CE2-CG 3.5Å; F285-F299 HydrophobicContact CZ-CB 4.27Å; S295-F299 WeakPolarHBondContact O-CB 3.38Å; S295-F299 PolarHBondContact O-N 2.81Å; K296-F299 WeakPolarHBondContact O-CB 3.5Å; K296-F299 PolarHBondContact O-N 3.41Å; L297-F299 VanDerWaalsContact C-N 3.31Å; L297-F299 PolarHBondContact O-N 2.93Å; F299-E301 PolarHBondContact O-N 3.49Å; F299-L302 HydrophobicContact CD2-CD1 4.09Å; F299-L302 HydrophobicContact CE2-CD1 4.39Å; F299-L302 VanDerWaalsContact O-CB 3.29Å; F299-L302 WeakPolarHBondContact O-CB 3.24Å; F299-L302 WeakPolarHBondContact O-CG 3.42Å; F299-L302 PolarHBondContact O-N 2.89Å; F299-W531 HydrophobicContact CD2-CE3 4.47Å; F299-W531 AromaticContact CD2-CH2 3.64Å; F299-W531 HydrophobicContact CD2-CH2 3.64Å; F299-W531 HydrophobicContact CD2-CZ2 4.11Å; F299-W531 AromaticContact CD2-CZ3 3.84Å; F299-W531 HydrophobicContact CD2-CZ3 3.84Å; F299-W531 HydrophobicContact CE2-CD2 4.22Å; F299-W531 AromaticContact CE2-CE3 3.83Å; F299-W531 HydrophobicContact CE2-CE3 3.83Å; F299-W531 AromaticContact CE2-CH2 3.84Å; F299-W531 HydrophobicContact CE2-CH2 3.84Å; F299-W531 HydrophobicContact CE2-CZ2 4.22Å; F299-W531 AromaticContact CE2-CZ3 3.62Å; F299-W531 HydrophobicContact CE2-CZ3 3.62Å
300N87.8Confident85.7Confident70 Ų7040.2 Ų40.237%0.37422%0.22SC..Hα-helixtrans-65.3-22.1177.4-70.3-7.2000113.1K296 L297 L302 S304 K542K296-N300 VanDerWaalsContact CE-OD1 3.29Å; K296-N300 WeakPolarHBondContact CE-OD1 3.49Å; K296-N300 VanDerWaalsContact O-CG 3.26Å; K296-N300 PolarHBondContact O-N 2.81Å; K296-N300 PolarHBondContact O-OD1 3.39Å; L297-N300 PolarHBondContact O-N 3.24Å; N300-L302 VanDerWaalsContact C-N 3.28Å; N300-S304 PolarHBondContact O-OG 3.28Å; N300-K542 PolarHBondContact O-NZ 3.35Å
301E92Very high87Confident68 Ų6842.8 Ų42.832%0.31824%0.235SC..THydrogen-bonded Turntrans-72.9-19172.9-66.6-55.6156.500113L297 R298 F299 G303 S304 L306L297-E301 WeakPolarHBondContact O-CG 3.42Å; L297-E301 PolarHBondContact O-N 3.33Å; R298-E301 WeakPolarHBondContact O-CB 3.29Å; R298-E301 PolarHBondContact O-N 2.87Å; F299-E301 PolarHBondContact O-N 3.49Å; E301-G303 PolarHBondContact O-N 3.46Å; E301-S304 VanDerWaalsContact O-CB 3.3Å; E301-S304 WeakPolarHBondContact O-CB 3.15Å; E301-S304 PolarHBondContact O-N 3.49Å; E301-L306 HydrophobicContact CB-CD2 3.94Å; E301-L306 HydrophobicContact CG-CD2 4.36Å; E301-L306 WeakPolarHBondContact OE2-CD2 3.31Å
302L94.7Very high88.2Confident2 Ų243.1 Ų43.11%0.0124%0.237CC..THydrogen-bonded Turntrans-62.1130.9178.5-61.4179.7000110.5L189 L192 F299 N300 S304 I526 W531 Q539 K542L189-L302 HydrophobicContact CD1-CD1 3.91Å; L189-L302 HydrophobicContact CD1-CD2 4.26Å; L189-L302 HydrophobicContact CD1-CG 4.14Å; L189-L302 HydrophobicContact CD2-CD1 4.39Å; L189-L302 HydrophobicContact CD2-CD2 4.41Å; L192-L302 HydrophobicContact CD2-CD2 4Å; F299-L302 HydrophobicContact CD2-CD1 4.09Å; F299-L302 HydrophobicContact CE2-CD1 4.39Å; F299-L302 VanDerWaalsContact O-CB 3.29Å; F299-L302 WeakPolarHBondContact O-CB 3.24Å; F299-L302 WeakPolarHBondContact O-CG 3.42Å; F299-L302 PolarHBondContact O-N 2.89Å; N300-L302 VanDerWaalsContact C-N 3.28Å; L302-S304 PolarHBondContact O-N 3.38Å; L302-I526 WeakPolarHBondContact CA-O 3.46Å; L302-I526 HydrophobicContact CD2-CB 4.31Å; L302-I526 HydrophobicContact CD2-CG2 3.82Å; L302-W531 HydrophobicContact CD1-CH2 4.25Å; L302-W531 HydrophobicContact CD1-CZ3 3.73Å; L302-Q539 HydrophobicContact CB-CG 4Å; L302-K542 PolarHBondContact O-NZ 3.25Å
303G95.6Very high87.8Confident1 Ų148 Ų481%0.0127%0.268CS..THydrogen-bonded Turntrans69.96.3-173.900000115.9E301 I526 S543E301-G303 PolarHBondContact O-N 3.46Å; G303-I526 PolarHBondContact N-O 3Å; G303-S543 WeakPolarHBondContact CA-OG 3.31Å; G303-S543 WeakPolarHBondContact O-CA 3.31Å; G303-S543 PolarHBondContact O-OG 2.96Å
304S95.6Very high86.7Confident30 Ų3051.3 Ų51.321%0.2129%0.288CS..SBendtrans-89.8155.4169.9-62.90000111N300 E301 L302 L306 K542N300-S304 PolarHBondContact O-OG 3.28Å; E301-S304 VanDerWaalsContact O-CB 3.3Å; E301-S304 WeakPolarHBondContact O-CB 3.15Å; E301-S304 PolarHBondContact O-N 3.49Å; L302-S304 PolarHBondContact O-N 3.38Å; S304-L306 PolarHBondContact O-N 3.37Å; S304-K542 VanDerWaalsContact OG-CE 3.27Å; S304-K542 WeakPolarHBondContact OG-CE 3.38Å; S304-K542 PolarHBondContact OG-NZ 3.15Å
305L96Very high85.2Confident62 Ų6255.6 Ų55.633%0.32531%0.31SS..BIsolated β-bridgetrans-78.2115.7169.3-172.473.3000109.7K307 V309 H524 V525L305-K307 WeakPolarHBondContact CD1-O 3.29Å; L305-K307 VanDerWaalsContact CG-O 3.32Å; L305-K307 WeakPolarHBondContact CG-O 3.43Å; L305-V309 HydrophobicContact CD1-CG1 4.11Å; L305-V309 HydrophobicContact CD2-CG1 4.31Å; L305-H524 CarbonylContact C-O 3.58Å; L305-H524 WeakPolarHBondContact CA-O 3.01Å; L305-H524 HydrophobicContact CD1-CB 4Å; L305-V525 HydrophobicContact CD1-CG2 4.31Å
306L94.3Very high83.8Confident28 Ų2859.1 Ų59.115%0.14733%0.327CS..  trans-89.5-26.4-173.4-56.5-177.2000113.7E301 S304 H524 I526E301-L306 HydrophobicContact CB-CD2 3.94Å; E301-L306 HydrophobicContact CG-CD2 4.36Å; E301-L306 WeakPolarHBondContact OE2-CD2 3.31Å; S304-L306 PolarHBondContact O-N 3.37Å; L306-H524 PolarHBondContact N-O 3.11Å; L306-I526 HydrophobicContact CD1-CB 4.35Å; L306-I526 HydrophobicContact CD1-CD1 3.32Å; L306-I526 HydrophobicContact CD1-CG1 3.59Å
307K93.8Very high83Confident65 Ų6561 Ų6128%0.28334%0.342SS..SBendtrans-147160.7-179.766.6175.8-174.81790110.8L305 D521 Y522 A523 H524L305-K307 WeakPolarHBondContact CD1-O 3.29Å; L305-K307 VanDerWaalsContact CG-O 3.32Å; L305-K307 WeakPolarHBondContact CG-O 3.43Å; K307-D521 PolarHBondContact NZ-O 3.37Å; K307-Y522 WeakPolarHBondContact CE-O 3.42Å; K307-Y522 VanDerWaalsContact NZ-C 3.28Å; K307-Y522 PolarHBondContact NZ-O 3Å; K307-A523 VanDerWaalsContact CE-O 3.28Å; K307-A523 WeakPolarHBondContact CE-O 3.23Å; K307-H524 VanDerWaalsContact CE-CE1 3.49Å; K307-H524 WeakPolarHBondContact CE-CE1 3.26Å; K307-H524 WeakPolarHBondContact CE-NE2 3.43Å
308P93.7Very high81.9Confident114 Ų11459.9 Ų59.974%0.7434%0.339SS*.PPolyproline II helixtrans-54.3146173.6-24.835.1000112.1H524P308-H524 PolarHBondContact O-CD2 2.98Å; P308-H524 PolarHBondContact O-NE2 2.93Å
309V93.7Very high81Confident42 Ų4263.9 Ų63.926%0.25535%0.354SS..PPolyproline II helixtrans-69.6156.7177.7-54.40000111.3L305 N311 E461L305-V309 HydrophobicContact CD1-CG1 4.11Å; L305-V309 HydrophobicContact CD2-CG1 4.31Å; V309-N311 PolarHBondContact O-N 3.32Å; V309-E461 HydrophobicContact CB-CG 4.15Å; V309-E461 HydrophobicContact CG1-CG 3.6Å; V309-E461 WeakPolarHBondContact CG1-OE1 3.23Å
310N92.3Very high80.8Confident59 Ų5964 Ų6432%0.31636%0.356SS..PPolyproline II helixtrans-67.6128.8175.6-67.7-31000110.4I312 C459 H460N310-I312 HydrophobicContact CB-CG1 4.32Å; N310-I312 PolarHBondContact O-N 2.94Å; N310-I312 VanDerWaalsContact O-N 3.11Å; N310-C459 PolarHBondContact ND2-O 3.07Å; N310-H460 PolarHBondContact N-O 3.22Å
311N82.5Confident81Confident159 Ų15960.9 Ų60.985%0.8534%0.339SS*.  trans-78.792171.2-75.8-14.9000109.7V309V309-N311 PolarHBondContact O-N 3.32Å
312I77.9Confident81.1Confident30 Ų3057.9 Ų57.915%0.15433%0.325CS..  trans-89.3116.6173.8-62.2177.4000108N310 V314 M458 C459N310-I312 HydrophobicContact CB-CG1 4.32Å; N310-I312 PolarHBondContact O-N 2.94Å; N310-I312 VanDerWaalsContact O-N 3.11Å; I312-V314 HydrophobicContact CG2-CB 3.95Å; I312-V314 HydrophobicContact CG2-CG2 3.94Å; I312-V314 PolarHBondContact O-N 3.46Å; I312-M458 WeakPolarHBondContact CD1-O 3.41Å; I312-C459 WeakPolarHBondContact CD1-O 3.49Å
313T55.8Low81.2Confident139 Ų13958.7 Ų58.785%0.85333%0.329SS*.  trans-71.5-3-178.934.50000114.4N315T313-N315 PolarHBondContact O-N 3.23Å; T313-N315 VanDerWaalsContact O-N 3.11Å
314V53.8Low81.3Confident94 Ų9458.7 Ų58.757%0.5733%0.329SS*.SBendtrans-82.394.9-175.7-171.80000109.2I312I312-V314 HydrophobicContact CG2-CB 3.95Å; I312-V314 HydrophobicContact CG2-CG2 3.94Å; I312-V314 PolarHBondContact O-N 3.46Å
315N53.1Low81.5Confident103 Ų10357.2 Ų57.255%0.55132%0.319SS*.  trans52.289169.3-66.5-17.5000114.7T313 S317 S320T313-N315 PolarHBondContact O-N 3.23Å; T313-N315 VanDerWaalsContact O-N 3.11Å; N315-S317 PolarHBondContact O-N 3.23Å; N315-S320 WeakPolarHBondContact O-CB 3.4Å; N315-S320 PolarHBondContact O-OG 3.04Å; N315-S320 VanDerWaalsContact O-OG 3.07Å
316N56.4Low81.6Confident94 Ų9454.3 Ų54.350%0.50330%0.304SS..  trans-70.211.2172.8-92.8-15.4000114.5Q558N316-Q558 PolarHBondContact O-NE2 2.89Å; N316-Q558 PolarHBondContact O-OE1 3Å
317S65.6Low81.7Confident52 Ų5253 Ų5336%0.36430%0.297SS..  trans-60.3148.718066.90000111.2N315 R319 S320N315-S317 PolarHBondContact O-N 3.23Å; S317-R319 PolarHBondContact O-N 3.38Å; S317-S320 PolarHBondContact O-N 3.48Å; S317-S320 VanDerWaalsContact O-N 3.1Å; S317-S320 PolarHBondContact OG-N 2.76Å
318S65.6Low81.8Confident36 Ų3650 Ų5025%0.25229%0.285SS..THydrogen-bonded Turntrans-57.1-15.4176.261.50000113.7R440S318-R440 WeakPolarHBondContact O-CA 3.45Å; S318-R440 WeakPolarHBondContact O-CB 3.46Å; S318-R440 WeakPolarHBondContact O-CG 3.36Å
319R72.1Confident81.8Confident86 Ų8644.8 Ų44.833%0.32525%0.251SS..THydrogen-bonded Turntrans-100.7-15.1-178-58.2-173.9-179.8-167.7-6.4114.2S317 L432S317-R319 PolarHBondContact O-N 3.38Å; R319-L432 HydrophobicContact CB-CD2 4.03Å; R319-L432 VanDerWaalsContact CD-CD2 3.43Å; R319-L432 HydrophobicContact CG-CD2 4.39Å; R319-L432 PolarHBondContact NH1-O 3.08Å
320S85Confident81.7Confident10 Ų1043.6 Ų43.67%0.0725%0.245CC..SBendtrans-69.4130175.71740000110.3N315 S317 R440N315-S320 WeakPolarHBondContact O-CB 3.4Å; N315-S320 PolarHBondContact O-OG 3.04Å; N315-S320 VanDerWaalsContact O-OG 3.07Å; S317-S320 PolarHBondContact O-N 3.48Å; S317-S320 VanDerWaalsContact O-N 3.1Å; S317-S320 PolarHBondContact OG-N 2.76Å; S320-R440 VanDerWaalsContact O-CG 3.25Å; S320-R440 WeakPolarHBondContact O-CG 3.32Å; S320-R440 PolarHBondContact O-NE 2.96Å; S320-R440 PolarHBondContact O-NH2 3.37Å
321P92.4Very high81.7Confident4 Ų441.5 Ų41.53%0.02624%0.237CC..  trans-59.7140.1-177.9-26.335.1000114.4L323 V424 E428 P441 I443 H460P321-L323 HydrophobicContact CB-CD2 4.15Å; P321-V424 HydrophobicContact CB-CG1 4.43Å; P321-V424 HydrophobicContact CG-CG1 4.2Å; P321-E428 HydrophobicContact CG-CB 3.91Å; P321-P441 CarbonylContact C-O 3.2Å; P321-P441 WeakPolarHBondContact CA-O 3.39Å; P321-P441 HydrophobicContact CB-CB 4.34Å; P321-P441 HydrophobicContact CG-CB 4.46Å; P321-I443 HydrophobicContact CB-CD1 3.46Å; P321-I443 VanDerWaalsContact CB-CD1 3.46Å; P321-I443 HydrophobicContact CB-CG1 3.95Å; P321-I443 HydrophobicContact CG-CD1 3.96Å; P321-H460 PolarHBondContact O-CE1 3.27Å
322Y93.9Very high82.2Confident6 Ų634 Ų342%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-87.8108171.1-163.5-88.1000110.1I324 P441 V442 I443 H460 E461 L547 L551Y322-I324 HydrophobicContact CD1-CD1 4.16Å; Y322-I324 HydrophobicContact CD1-CG1 3.84Å; Y322-I324 HydrophobicContact CE1-CD1 4.26Å; Y322-I324 HydrophobicContact CE1-CG1 3.95Å; Y322-P441 PolarHBondContact N-O 3.23Å; Y322-V442 CarbonylContact O-C 3.5Å; Y322-V442 WeakPolarHBondContact O-CA 3.18Å; Y322-I443 PolarHBondContact O-N 3.33Å; Y322-H460 HydrophobicContact CD1-CB 4.26Å; Y322-H460 HydrophobicContact CD2-CB 4.25Å; Y322-H460 AromaticContact CD2-CD2 3.97Å; Y322-H460 AromaticContact CD2-CG 3.93Å; Y322-H460 HydrophobicContact CE1-CB 3.69Å; Y322-H460 HydrophobicContact CE2-CB 3.7Å; Y322-H460 AromaticContact CE2-CD2 3.78Å; Y322-H460 AromaticContact CE2-CG 3.76Å; Y322-H460 AromaticContact CZ-CG 3.97Å; Y322-E461 HydrophobicContact CE1-CG 4.17Å; Y322-E461 WeakPolarHBondContact OH-CG 3.43Å; Y322-E461 PolarHBondContact OH-OE1 2.97Å; Y322-L547 HydrophobicContact CD1-CD1 4.1Å; Y322-L547 HydrophobicContact CE1-CD1 3.67Å; Y322-L551 HydrophobicContact CD2-CD2 3.52Å; Y322-L551 HydrophobicContact CE2-CD2 3.9Å; Y322-L551 HydrophobicContact CG-CD2 3.91Å
323L96.4Very high83Confident18 Ų1833.6 Ų33.69%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-88.1125.7-175.1-54.4-175000112.6P321 V424 I443 M458 H460 E461P321-L323 HydrophobicContact CB-CD2 4.15Å; L323-V424 HydrophobicContact CD2-CG1 4.15Å; L323-V424 HydrophobicContact CD2-CG2 3.92Å; L323-I443 HydrophobicContact CD2-CB 3.74Å; L323-I443 HydrophobicContact CD2-CD1 3.9Å; L323-I443 HydrophobicContact CD2-CG1 4.21Å; L323-I443 HydrophobicContact CD2-CG2 4.26Å; L323-M458 WeakPolarHBondContact CD1-O 3.48Å; L323-H460 PolarHBondContact N-ND1 3.03Å; L323-H460 WeakPolarHBondContact O-CB 3.44Å; L323-H460 PolarHBondContact O-N 3.11Å; L323-E461 PolarHBondContact O-N 3.34Å
324I98.1Very high84.9Confident1 Ų127.8 Ų27.81%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-121.5118.4175.3-58.1-179.7000108.9Y322 V442 I443 I444 I445 E461 W463 L547Y322-I324 HydrophobicContact CD1-CD1 4.16Å; Y322-I324 HydrophobicContact CD1-CG1 3.84Å; Y322-I324 HydrophobicContact CE1-CD1 4.26Å; Y322-I324 HydrophobicContact CE1-CG1 3.95Å; I324-V442 HydrophobicContact CD1-CG1 3.77Å; I324-V442 HydrophobicContact CG1-CG1 4.35Å; I324-I443 PolarHBondContact N-O 2.84Å; I324-I444 HydrophobicContact CB-CD1 3.8Å; I324-I444 HydrophobicContact CD1-CD1 3.87Å; I324-I444 HydrophobicContact CG1-CD1 4.27Å; I324-I444 HydrophobicContact CG2-CD1 4.15Å; I324-I444 CarbonylContact O-C 3.47Å; I324-I444 WeakPolarHBondContact O-CA 3.47Å; I324-I445 PolarHBondContact O-N 3.33Å; I324-E461 CarbonylContact C-O 3.54Å; I324-E461 WeakPolarHBondContact CA-O 3.48Å; I324-E461 HydrophobicContact CG1-CB 4.37Å; I324-E461 HydrophobicContact CG2-CB 4.45Å; I324-W463 HydrophobicContact CD1-CZ2 3.93Å; I324-W463 HydrophobicContact CG2-CB 4.08Å; I324-W463 HydrophobicContact CG2-CD2 3.75Å; I324-W463 HydrophobicContact CG2-CG 3.47Å; I324-W463 VanDerWaalsContact CG2-CG 3.47Å; I324-L547 HydrophobicContact CD1-CD2 3.59Å
325G98.3Very high86.8Confident0 Ų025.7 Ų25.70%015%0.153CC..EExtended strand (participates in β ladder)trans-85.8117.2174.400000111E461 V462 W463G325-E461 PolarHBondContact N-O 3.41Å; G325-V462 CarbonylContact O-C 3.54Å; G325-V462 WeakPolarHBondContact O-CA 3.17Å; G325-W463 PolarHBondContact O-N 3.31Å
326L98.5Very high88.8Confident0 Ų023.4 Ų23.40%014%0.144CC..EExtended strand (participates in β ladder)trans-100.8118.6177.3-178.469.2000109.9K334 A338 I444 I445 A447 W463 T465L326-K334 HydrophobicContact CD1-CG 4.39Å; L326-K334 HydrophobicContact CD2-CG 3.73Å; L326-K334 WeakPolarHBondContact CD2-O 3.46Å; L326-K334 HydrophobicContact CG-CD 4.2Å; L326-K334 HydrophobicContact CG-CG 3.61Å; L326-A338 HydrophobicContact CD2-CB 3.77Å; L326-I444 HydrophobicContact CB-CG2 3.81Å; L326-I444 HydrophobicContact CD2-CG2 4.09Å; L326-I445 PolarHBondContact N-O 3.17Å; L326-A447 PolarHBondContact O-N 2.93Å; L326-W463 CarbonylContact C-O 3.58Å; L326-W463 WeakPolarHBondContact CA-O 3.29Å; L326-W463 HydrophobicContact CD1-CB 3.81Å; L326-T465 HydrophobicContact CD1-CG2 3.97Å
327T97.6Very high90.7Very high0 Ų018.9 Ų18.90%012%0.12CC..EExtended strand (participates in β ladder)trans-137.6167-176.7-166.50000112.9K334 A447 L450 L451 V462 W463 L464 T465 W507T327-K334 VanDerWaalsContact C-CD 3.46Å; T327-K334 VanDerWaalsContact CA-CD 3.47Å; T327-A447 WeakPolarHBondContact CB-O 3.3Å; T327-A447 PolarHBondContact OG1-O 3.46Å; T327-L450 HydrophobicContact CG2-CB 4.39Å; T327-L450 HydrophobicContact CG2-CD2 3.94Å; T327-L451 HydrophobicContact CG2-CG 4.37Å; T327-V462 HydrophobicContact CG2-CG1 4.16Å; T327-W463 PolarHBondContact N-O 3.49Å; T327-L464 HydrophobicContact CG2-CG 4.49Å; T327-L464 CarbonylContact O-C 3.53Å; T327-L464 WeakPolarHBondContact O-CA 3.47Å; T327-T465 PolarHBondContact O-N 3.34Å; T327-T465 PolarHBondContact O-OG1 3.47Å; T327-W507 HydrophobicContact CG2-CH2 4.1Å; T327-W507 HydrophobicContact CG2-CZ3 4.37Å
328G95.5Very high92.2Very high3 Ų316.5 Ų16.53%0.03110%0.103CC..  trans154.3174.517600000113.1T465G328-T465 WeakPolarHBondContact CA-OG1 3.18Å
329P94.3Very high93.7Very high5 Ų522.7 Ų22.73%0.03212%0.121CC..  trans-67.8157.4-174.425.9-29.3000111.8G331 S332 T465 W507 F508P329-G331 PolarHBondContact O-N 2.92Å; P329-S332 WeakPolarHBondContact O-CB 3.41Å; P329-S332 PolarHBondContact O-N 3.27Å; P329-S332 PolarHBondContact O-OG 3.09Å; P329-T465 WeakPolarHBondContact CD-O 3.39Å; P329-W507 HydrophobicContact CB-CB 3.92Å; P329-W507 HydrophobicContact CB-CD2 4.42Å; P329-W507 HydrophobicContact CB-CG 3.79Å; P329-W507 HydrophobicContact CG-CB 3.93Å; P329-W507 HydrophobicContact CG-CG 4.13Å; P329-F508 HydrophobicContact CB-CE1 3.94Å; P329-F508 HydrophobicContact CB-CE2 4.48Å; P329-F508 HydrophobicContact CB-CZ 3.61Å; P329-F508 HydrophobicContact CG-CE1 3.89Å; P329-F508 HydrophobicContact CG-CZ 4.11Å
330S90.9Very high94.8Very high17 Ų1721.7 Ų21.712%0.11912%0.118CC..THydrogen-bonded Turntrans-56.7141.4172.1-66.90000111.4S332 Q494S330-S332 VanDerWaalsContact C-N 3.26Å; S330-S332 PolarHBondContact O-N 2.63Å; S330-Q494 VanDerWaalsContact CB-OE1 3.24Å; S330-Q494 PolarHBondContact OG-NE2 2.91Å; S330-Q494 PolarHBondContact OG-OE1 2.95Å
331G91.5Very high95.4Very high15 Ų1521.3 Ų21.316%0.15512%0.115CC..THydrogen-bonded Turntrans83.7-12-178.100000114.7P329 G333 L467 R475P329-G331 PolarHBondContact O-N 2.92Å; G331-G333 PolarHBondContact O-N 3.04Å; G331-L467 WeakPolarHBondContact O-CD2 3.46Å; G331-R475 WeakPolarHBondContact O-CD 3.25Å; G331-R475 PolarHBondContact O-NH1 2.78Å
332S93.6Very high95.5Very high1 Ų122.2 Ų22.21%0.00713%0.125CC..SBendtrans-67.2-0.2-179.763.20000116.1P329 S330 K334 T465 T529P329-S332 WeakPolarHBondContact O-CB 3.41Å; P329-S332 PolarHBondContact O-N 3.27Å; P329-S332 PolarHBondContact O-OG 3.09Å; S330-S332 VanDerWaalsContact C-N 3.26Å; S330-S332 PolarHBondContact O-N 2.63Å; S332-K334 VanDerWaalsContact C-N 3.35Å; S332-T465 WeakPolarHBondContact CB-OG1 3.3Å; S332-T465 PolarHBondContact OG-OG1 2.67Å; S332-T529 VanDerWaalsContact C-OG1 3.31Å; S332-T529 WeakPolarHBondContact O-CG2 3.29Å; S332-T529 PolarHBondContact O-OG1 2.79Å
333G94Very high95.6Very high21 Ų2129.2 Ų29.222%0.21616%0.157CC..  trans7914.4178.400000114.9G331 S335 S336 L337G331-G333 PolarHBondContact O-N 3.04Å; G333-S335 PolarHBondContact O-N 2.92Å; G333-S336 WeakPolarHBondContact O-CA 3.47Å; G333-S336 VanDerWaalsContact O-CB 3.24Å; G333-S336 WeakPolarHBondContact O-CB 3.38Å; G333-S336 PolarHBondContact O-N 3.15Å; G333-L337 PolarHBondContact O-N 2.97Å
334K95.6Very high95.5Very high17 Ų1730.7 Ų30.77%0.07417%0.165CC..Hα-helixtrans-47.4-54.7-179.4-166.3171.776.6-190115.3L326 T327 S332 S336 L337 A338 D446 T465L326-K334 HydrophobicContact CD1-CG 4.39Å; L326-K334 HydrophobicContact CD2-CG 3.73Å; L326-K334 WeakPolarHBondContact CD2-O 3.46Å; L326-K334 HydrophobicContact CG-CD 4.2Å; L326-K334 HydrophobicContact CG-CG 3.61Å; T327-K334 VanDerWaalsContact C-CD 3.46Å; T327-K334 VanDerWaalsContact CA-CD 3.47Å; S332-K334 VanDerWaalsContact C-N 3.35Å; K334-S336 VanDerWaalsContact C-N 3.25Å; K334-S336 PolarHBondContact O-N 3.38Å; K334-L337 WeakPolarHBondContact O-CB 3.45Å; K334-L337 PolarHBondContact O-N 2.97Å; K334-L337 VanDerWaalsContact O-N 3.12Å; K334-A338 PolarHBondContact O-N 3.04Å; K334-D446 WeakPolarHBondContact CD-OD1 3.29Å; K334-D446 WeakPolarHBondContact CE-OD1 3.16Å; K334-D446 VanDerWaalsContact CG-OD1 3.3Å; K334-D446 WeakPolarHBondContact CG-OD1 3.45Å; K334-D446 IonicContact NZ-OD1 2.76Å; K334-D446 PolarHBondContact NZ-OD1 2.79Å; K334-D446 IonicContact NZ-OD2 3.84Å; K334-T465 HydrophobicContact CB-CG2 4.25Å; K334-T465 HydrophobicContact CG-CG2 4.23Å
335S94.1Very high95.3Very high51 Ų5132.2 Ų32.236%0.35718%0.176SC..Hα-helixtrans-69.3-23.2179.3-48.30000113.3G333 R339 D446G333-S335 PolarHBondContact O-N 2.92Å; S335-R339 PolarHBondContact O-N 3.25Å; S335-R339 VanDerWaalsContact O-N 3.12Å; S335-D446 WeakPolarHBondContact CA-OD2 3.37Å; S335-D446 WeakPolarHBondContact CB-OD2 3.5Å; S335-D446 PolarHBondContact OG-OD2 3.21Å
336S95.2Very high94.9Very high54 Ų5439.9 Ų39.938%0.37822%0.217SC..Hα-helixtrans-70.2-43.2170.5-175.60000110.8G333 K334 R339 R340G333-S336 WeakPolarHBondContact O-CA 3.47Å; G333-S336 VanDerWaalsContact O-CB 3.24Å; G333-S336 WeakPolarHBondContact O-CB 3.38Å; G333-S336 PolarHBondContact O-N 3.15Å; K334-S336 VanDerWaalsContact C-N 3.25Å; K334-S336 PolarHBondContact O-N 3.38Å; S336-R339 PolarHBondContact O-N 2.74Å; S336-R340 WeakPolarHBondContact O-CG 3.35Å; S336-R340 PolarHBondContact O-N 3.16Å
337L97Very high94.6Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-64.5-41.6173.6-70.2168.9000112G333 K334 R339 R340 L341 T465 L527 T529 V540G333-L337 PolarHBondContact O-N 2.97Å; K334-L337 WeakPolarHBondContact O-CB 3.45Å; K334-L337 PolarHBondContact O-N 2.97Å; K334-L337 VanDerWaalsContact O-N 3.12Å; L337-R339 VanDerWaalsContact C-N 3.31Å; L337-R339 PolarHBondContact O-N 2.73Å; L337-R340 PolarHBondContact O-N 3.47Å; L337-L341 WeakPolarHBondContact O-CG 3.19Å; L337-L341 PolarHBondContact O-N 2.69Å; L337-T465 HydrophobicContact CD1-CG2 3.42Å; L337-T465 VanDerWaalsContact CD1-CG2 3.42Å; L337-L527 HydrophobicContact CD1-CB 3.87Å; L337-L527 HydrophobicContact CD1-CD1 4.1Å; L337-T529 HydrophobicContact CD1-CG2 3.56Å; L337-T529 HydrophobicContact CD2-CG2 3.97Å; L337-T529 HydrophobicContact CG-CG2 3.67Å; L337-V540 HydrophobicContact CD2-CG2 3.55Å
338A96.9Very high94.5Very high1 Ų141.5 Ų41.51%0.00823%0.225CC..Hα-helixtrans-57.4-44.8174.800000111.5L326 K334 L341 G342 V350 D446L326-A338 HydrophobicContact CD2-CB 3.77Å; K334-A338 PolarHBondContact O-N 3.04Å; A338-L341 WeakPolarHBondContact O-CB 3.25Å; A338-L341 PolarHBondContact O-N 3.17Å; A338-G342 PolarHBondContact O-N 2.54Å; A338-V350 HydrophobicContact CB-CG1 3.87Å; A338-V350 WeakPolarHBondContact O-CG2 3.3Å; A338-D446 HydrophobicContact CB-CB 4.24Å
339R95.9Very high94.6Very high167 Ų16744.5 Ų44.563%0.6324%0.238SC*.Hα-helixtrans-62.7-43.7175.6-170.2-173.5-54.6161.63.1112.5S335 S336 L337 L341 G342 H343S335-R339 PolarHBondContact O-N 3.25Å; S335-R339 VanDerWaalsContact O-N 3.12Å; S336-R339 PolarHBondContact O-N 2.74Å; L337-R339 VanDerWaalsContact C-N 3.31Å; L337-R339 PolarHBondContact O-N 2.73Å; R339-L341 VanDerWaalsContact C-N 3.31Å; R339-L341 PolarHBondContact O-N 2.98Å; R339-G342 PolarHBondContact O-N 3.2Å; R339-H343 PolarHBondContact O-N 3.27Å; R339-H343 VanDerWaalsContact O-N 3.12Å
340R96.6Very high94.8Very high65 Ų6547.1 Ų47.125%0.24525%0.254CS..Hα-helixtrans-58.8-44.5175.7-71.9174.6-177.5-79.7-2.4111.2S336 L337 H343 L344 V540S336-R340 WeakPolarHBondContact O-CG 3.35Å; S336-R340 PolarHBondContact O-N 3.16Å; L337-R340 PolarHBondContact O-N 3.47Å; R340-H343 PolarHBondContact O-N 3.4Å; R340-L344 PolarHBondContact O-N 3.18Å; R340-V540 HydrophobicContact CB-CG1 4.22Å
341L96.3Very high95.1Very high1 Ų146.6 Ų46.61%0.00525%0.25CC..Hα-helixtrans-60.7-46.8176.3-74.7163.2000112L337 A338 R339 H343 L344 V348 I444 W463 V540L337-L341 WeakPolarHBondContact O-CG 3.19Å; L337-L341 PolarHBondContact O-N 2.69Å; A338-L341 WeakPolarHBondContact O-CB 3.25Å; A338-L341 PolarHBondContact O-N 3.17Å; R339-L341 VanDerWaalsContact C-N 3.31Å; R339-L341 PolarHBondContact O-N 2.98Å; L341-H343 PolarHBondContact O-N 2.92Å; L341-L344 HydrophobicContact CD2-CD1 4.15Å; L341-L344 WeakPolarHBondContact O-CB 3.36Å; L341-L344 PolarHBondContact O-N 3.42Å; L341-V348 HydrophobicContact CB-CG1 4.33Å; L341-I444 HydrophobicContact CB-CG1 4.34Å; L341-I444 HydrophobicContact CD1-CD1 4.31Å; L341-I444 HydrophobicContact CD1-CG1 4.34Å; L341-I444 HydrophobicContact CD1-CG2 4.48Å; L341-W463 HydrophobicContact CD1-CE3 3.96Å; L341-W463 HydrophobicContact CD1-CZ3 3.73Å; L341-W463 HydrophobicContact CD2-CH2 4.01Å; L341-W463 HydrophobicContact CD2-CZ3 3.54Å; L341-W463 HydrophobicContact CG-CZ3 4.26Å; L341-V540 HydrophobicContact CD2-CG1 3.7Å; L341-V540 HydrophobicContact CG-CG1 3.98Å; L341-V540 HydrophobicContact CG-CG2 4.48Å
342G96.1Very high95.4Very high23 Ų2348.5 Ų48.524%0.23726%0.256CS..Hα-helixtrans-61.4-24.6177.200000114.1A338 R339A338-G342 PolarHBondContact O-N 2.54Å; R339-G342 PolarHBondContact O-N 3.2Å
343H96Very high95.5Very high153 Ų15348.7 Ų48.771%0.70826%0.258SS*.THydrogen-bonded Turntrans-87.4-7.8176.1-64.7165.4000114.1R339 R340 L341R339-H343 PolarHBondContact O-N 3.27Å; R339-H343 VanDerWaalsContact O-N 3.12Å; R340-H343 PolarHBondContact O-N 3.4Å; L341-H343 PolarHBondContact O-N 2.92Å
344L93.7Very high95.4Very high49 Ų4951.7 Ų51.726%0.25727%0.269SS..THydrogen-bonded Turntrans-73.5-33.8-179.1-71.1-175.7000113R340 L341 V540 E541 W544R340-L344 PolarHBondContact O-N 3.18Å; L341-L344 HydrophobicContact CD2-CD1 4.15Å; L341-L344 WeakPolarHBondContact O-CB 3.36Å; L341-L344 PolarHBondContact O-N 3.42Å; L344-V540 HydrophobicContact CD1-CG1 3.59Å; L344-V540 HydrophobicContact CD2-CG1 4.4Å; L344-V540 HydrophobicContact CG-CG1 4.12Å; L344-E541 HydrophobicContact CD2-CG 4.08Å; L344-W544 HydrophobicContact CB-CG 4.5Å; L344-W544 HydrophobicContact CD1-CB 3.41Å; L344-W544 VanDerWaalsContact CD1-CB 3.41Å; L344-W544 HydrophobicContact CD1-CD2 4.19Å; L344-W544 HydrophobicContact CD1-CG 3.49Å; L344-W544 VanDerWaalsContact CD1-CG 3.49Å
345S93.4Very high95.4Very high33 Ų3357.1 Ų57.123%0.23129%0.289CS..  trans-164.1145.5-176.1-176.60000111Q347 V348S345-Q347 PolarHBondContact O-N 3.5Å; S345-Q347 VanDerWaalsContact O-N 3.09Å; S345-Q347 PolarHBondContact OG-N 2.95Å; S345-V348 WeakPolarHBondContact O-CB 3.48Å; S345-V348 PolarHBondContact O-N 3.18Å
346D90.7Very high95.4Very high162 Ų16255 Ų5587%0.86627%0.273SS*.THydrogen-bonded Turntrans-61.5-15172.2-57.3-36.6000113.4V348D346-V348 PolarHBondContact O-N 3Å
347Q91.3Very high95.3Very high22 Ų2252.9 Ų52.910%0.10326%0.26CS..THydrogen-bonded Turntrans-67.4-20.9171.3-171.2-177.417.100112.2S345 K439 R440 V442 W544S345-Q347 PolarHBondContact O-N 3.5Å; S345-Q347 VanDerWaalsContact O-N 3.09Å; S345-Q347 PolarHBondContact OG-N 2.95Å; Q347-K439 HydrophobicContact CG-CB 4.24Å; Q347-R440 VanDerWaalsContact CD-O 3.28Å; Q347-R440 WeakPolarHBondContact CG-O 3.27Å; Q347-R440 PolarHBondContact NE2-O 3.45Å; Q347-V442 HydrophobicContact CG-CG2 4.13Å; Q347-V442 PolarHBondContact O-N 3.13Å; Q347-W544 HydrophobicContact CB-CH2 4.36Å; Q347-W544 HydrophobicContact CG-CH2 4.35Å; Q347-W544 VanDerWaalsContact OE1-CH2 3.26Å
348V96.3Very high95Very high11 Ų1156.7 Ų56.77%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-97.6117.9-172.3-1740000110.7L341 S345 D346 V442 I444 W544L341-V348 HydrophobicContact CB-CG1 4.33Å; S345-V348 WeakPolarHBondContact O-CB 3.48Å; S345-V348 PolarHBondContact O-N 3.18Å; D346-V348 PolarHBondContact O-N 3Å; V348-V442 CarbonylContact C-O 3.59Å; V348-V442 WeakPolarHBondContact CA-O 3.18Å; V348-I444 HydrophobicContact CG1-CD1 4.4Å; V348-I444 HydrophobicContact CG1-CG1 3.77Å; V348-W544 HydrophobicContact CG2-CE3 4.15Å; V348-W544 HydrophobicContact CG2-CH2 3.42Å; V348-W544 VanDerWaalsContact CG2-CH2 3.42Å; V348-W544 HydrophobicContact CG2-CZ2 3.98Å; V348-W544 HydrophobicContact CG2-CZ3 3.51Å
349H97Very high94.9Very high67 Ų6759.1 Ų59.131%0.3129%0.289SS..EExtended strand (participates in β ladder)trans-110.3136175.2-54.8-79.1000110.2I427 V442 I443 I444H349-I427 HydrophobicContact CB-CD1 3.71Å; H349-V442 PolarHBondContact N-O 3.18Å; H349-I443 HydrophobicContact CB-CG1 4.34Å; H349-I443 CarbonylContact O-C 3.57Å; H349-I443 WeakPolarHBondContact O-CA 3.42Å; H349-I444 PolarHBondContact O-N 2.88Å
350V98Very high94.8Very high59 Ų5951.3 Ų51.336%0.35826%0.26SS..EExtended strand (participates in β ladder)trans-110.5124.6-179.7-178.70000110A338 I444A338-V350 HydrophobicContact CB-CG1 3.87Å; A338-V350 WeakPolarHBondContact O-CG2 3.3Å; V350-I444 HydrophobicContact CG2-CB 4.35Å
351I97.8Very high94.7Very high6 Ų649.6 Ų49.63%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-102.3109171.2-59.9-179.8000108.4C353 L356 I420 V423 V424 I443 I444 D446I351-C353 PolarHBondContact O-N 3.3Å; I351-L356 HydrophobicContact CG2-CD1 3.38Å; I351-L356 HydrophobicContact CG2-CG 4.21Å; I351-I420 HydrophobicContact CD1-CG2 4.21Å; I351-I420 HydrophobicContact CG2-CG1 4.3Å; I351-V423 HydrophobicContact CD1-CB 4.01Å; I351-V423 HydrophobicContact CD1-CG1 3.71Å; I351-V423 HydrophobicContact CG1-CG1 3.91Å; I351-V424 HydrophobicContact CD1-CG2 4.16Å; I351-I443 HydrophobicContact CD1-CG2 3.5Å; I351-I443 VanDerWaalsContact CD1-CG2 3.5Å; I351-I443 HydrophobicContact CG1-CG2 3.8Å; I351-I444 PolarHBondContact N-O 2.95Å; I351-D446 PolarHBondContact O-N 3.02Å
352D96.9Very high94.7Very high55 Ų5554 Ų5429%0.29428%0.276SS..EExtended strand (participates in β ladder)trans-79.8103.8171.7-179.1-18.3000109.8D354 R355 L356D352-D354 VanDerWaalsContact C-N 3.32Å; D352-D354 WeakPolarHBondContact OD1-CA 2.89Å; D352-D354 WeakPolarHBondContact OD1-CB 2.87Å; D352-D354 PolarHBondContact OD1-N 3.13Å; D352-R355 HydrophobicContact CB-CB 3.98Å; D352-R355 PolarHBondContact O-N 3.43Å; D352-R355 PolarHBondContact OD1-N 2.95Å; D352-L356 PolarHBondContact O-N 3.31Å
353C96.6Very high94.7Very high5 Ų554.7 Ų54.73%0.03428%0.277CS..Hα-helixtrans-74.9-21.6-178.3-61.10000113.1I351 G357 I445 D446 A447 W455I351-C353 PolarHBondContact O-N 3.3Å; C353-G357 PolarHBondContact O-N 2.69Å; C353-I445 WeakPolarHBondContact SG-CG2 3.27Å; C353-D446 WeakPolarHBondContact CB-O 3.44Å; C353-D446 PolarHBondContact N-O 3.17Å; C353-D446 PolarHBondContact SG-O 2.87Å; C353-D446 VanDerWaalsContact SG-O 3.41Å; C353-A447 HydrophobicContact CB-CB 3.92Å; C353-W455 HydrophobicContact CB-CZ3 4.24Å
354D92.2Very high94.6Very high85 Ų8550.5 Ų50.546%0.45528%0.275SS..Hα-helixtrans-69.1-40.4173.3-67.5-23.1000109.4D352 G357 H358D352-D354 VanDerWaalsContact C-N 3.32Å; D352-D354 WeakPolarHBondContact OD1-CA 2.89Å; D352-D354 WeakPolarHBondContact OD1-CB 2.87Å; D352-D354 PolarHBondContact OD1-N 3.13Å; D354-G357 PolarHBondContact O-N 3.01Å; D354-H358 PolarHBondContact O-N 3.12Å; D354-H358 PolarHBondContact O-ND1 3.18Å
355R94.4Very high94.7Very high130 Ų13049.7 Ų49.749%0.49127%0.272SS..Hα-helixtrans-64.3-48.6171.6-174.5177.768.1107.7-10.7112D352 G357 H358 E359D352-R355 HydrophobicContact CB-CB 3.98Å; D352-R355 PolarHBondContact O-N 3.43Å; D352-R355 PolarHBondContact OD1-N 2.95Å; R355-G357 PolarHBondContact O-N 2.92Å; R355-H358 WeakPolarHBondContact O-CB 3.15Å; R355-H358 PolarHBondContact O-N 3.49Å; R355-H358 VanDerWaalsContact O-N 3.09Å; R355-E359 WeakPolarHBondContact CG-OE1 3.11Å; R355-E359 IonicContact CZ-OE1 2.63Å; R355-E359 IonicContact NE-OE1 3.56Å; R355-E359 IonicContact NH1-OE1 2.79Å; R355-E359 PolarHBondContact NH1-OE1 2.97Å; R355-E359 WeakPolarHBondContact O-CG 3.25Å; R355-E359 PolarHBondContact O-N 3.21Å
356L95.1Very high94.8Very high7 Ų752.4 Ų52.44%0.03729%0.288CS..Hα-helixtrans-60.7-33.1177.1-70-172.7000112.3I351 D352 E359 A360 I416 K419 I420I351-L356 HydrophobicContact CG2-CD1 3.38Å; I351-L356 HydrophobicContact CG2-CG 4.21Å; D352-L356 PolarHBondContact O-N 3.31Å; L356-E359 CarbonylContact O-C 3.49Å; L356-E359 PolarHBondContact O-N 3.15Å; L356-A360 WeakPolarHBondContact O-CB 3.45Å; L356-A360 PolarHBondContact O-N 2.85Å; L356-I416 HydrophobicContact CB-CG2 4.41Å; L356-K419 HydrophobicContact CD1-CB 4.17Å; L356-K419 HydrophobicContact CD2-CB 4.37Å; L356-I420 HydrophobicContact CD1-CG1 3.72Å
357G92.4Very high95.1Very high9 Ų944.8 Ų44.89%0.09325%0.248CC..Hα-helixtrans-58.7-47.2172.300000112.3C353 D354 R355 E359 A360 Y361C353-G357 PolarHBondContact O-N 2.69Å; D354-G357 PolarHBondContact O-N 3.01Å; R355-G357 PolarHBondContact O-N 2.92Å; G357-E359 VanDerWaalsContact C-N 3.34Å; G357-E359 PolarHBondContact O-N 3.03Å; G357-A360 VanDerWaalsContact O-CB 3.28Å; G357-A360 WeakPolarHBondContact O-CB 3.41Å; G357-A360 PolarHBondContact O-N 3.17Å; G357-Y361 WeakPolarHBondContact O-CD1 3.34Å; G357-Y361 WeakPolarHBondContact O-CE1 3.25Å
358H91.2Very high95.4Very high80 Ų8044.1 Ų44.137%0.3725%0.245SC..Hα-helixtrans-64.1-39.5175-59.5146.4000112.5D354 R355 A360 Y361 R391D354-H358 PolarHBondContact O-N 3.12Å; D354-H358 PolarHBondContact O-ND1 3.18Å; R355-H358 WeakPolarHBondContact O-CB 3.15Å; R355-H358 PolarHBondContact O-N 3.49Å; R355-H358 VanDerWaalsContact O-N 3.09Å; H358-A360 PolarHBondContact O-N 2.84Å; H358-Y361 PolarHBondContact CD2-OH 3.27Å; H358-R391 PolarHBondContact CD2-NH1 2.92Å; H358-R391 PolarHBondContact CE1-NH1 2.77Å; H358-R391 PolarHBondContact ND1-NH1 3.4Å; H358-R391 PolarHBondContact NE2-NH1 3.2Å
359E94.3Very high95.4Very high53 Ų5349.4 Ų49.425%0.24827%0.269CS..Hα-helixtrans-69.5-21.1177.5-67.9174.2-166.400112.9R355 L356 G357 Y361 I362 K419R355-E359 WeakPolarHBondContact CG-OE1 3.11Å; R355-E359 IonicContact CZ-OE1 2.63Å; R355-E359 IonicContact NE-OE1 3.56Å; R355-E359 IonicContact NH1-OE1 2.79Å; R355-E359 PolarHBondContact NH1-OE1 2.97Å; R355-E359 WeakPolarHBondContact O-CG 3.25Å; R355-E359 PolarHBondContact O-N 3.21Å; L356-E359 CarbonylContact O-C 3.49Å; L356-E359 PolarHBondContact O-N 3.15Å; G357-E359 VanDerWaalsContact C-N 3.34Å; G357-E359 PolarHBondContact O-N 3.03Å; E359-Y361 VanDerWaalsContact C-N 3.29Å; E359-Y361 PolarHBondContact O-N 2.92Å; E359-I362 HydrophobicContact CB-CD1 4.23Å; E359-I362 HydrophobicContact CG-CD1 4.2Å; E359-K419 WeakPolarHBondContact O-CE 3.34Å
360A94.7Very high95.4Very high2 Ų248.1 Ų48.12%0.01727%0.27CS..Hα-helixtrans-62.4-35.9-178.600000112.5L356 G357 H358 T365 C367 E415 I416 K419L356-A360 WeakPolarHBondContact O-CB 3.45Å; L356-A360 PolarHBondContact O-N 2.85Å; G357-A360 VanDerWaalsContact O-CB 3.28Å; G357-A360 WeakPolarHBondContact O-CB 3.41Å; G357-A360 PolarHBondContact O-N 3.17Å; H358-A360 PolarHBondContact O-N 2.84Å; A360-T365 PolarHBondContact O-OG1 3.07Å; A360-T365 VanDerWaalsContact O-OG1 3.12Å; A360-C367 WeakPolarHBondContact O-CB 3.33Å; A360-E415 HydrophobicContact CB-CB 4.35Å; A360-I416 HydrophobicContact CB-CG1 4.2Å; A360-K419 VanDerWaalsContact CA-CE 3.43Å; A360-K419 HydrophobicContact CB-CD 4.43Å
361Y94.9Very high95.4Very high30 Ų3045.3 Ų45.312%0.11825%0.253CS..THydrogen-bonded Turntrans-119.527.1-174.255.7-103.2000113.8G357 H358 E359 T365 H368 L371 I389 R391G357-Y361 WeakPolarHBondContact O-CD1 3.34Å; G357-Y361 WeakPolarHBondContact O-CE1 3.25Å; H358-Y361 PolarHBondContact CD2-OH 3.27Å; E359-Y361 VanDerWaalsContact C-N 3.29Å; E359-Y361 PolarHBondContact O-N 2.92Å; Y361-T365 WeakPolarHBondContact CA-OG1 3.42Å; Y361-H368 WeakPolarHBondContact O-CB 3.42Å; Y361-H368 PolarHBondContact O-CD2 3.44Å; Y361-L371 HydrophobicContact CD1-CD1 4.07Å; Y361-L371 HydrophobicContact CG-CD1 3.86Å; Y361-I389 HydrophobicContact CD2-CB 3.83Å; Y361-I389 HydrophobicContact CD2-CG1 3.78Å; Y361-I389 HydrophobicContact CD2-CG2 4.32Å; Y361-I389 HydrophobicContact CE2-CB 3.95Å; Y361-I389 HydrophobicContact CE2-CG1 4.4Å; Y361-I389 HydrophobicContact CE2-CG2 4.15Å; Y361-I389 HydrophobicContact CG-CG1 4.46Å; Y361-R391 WeakPolarHBondContact OH-CD 3.2Å; Y361-R391 WeakPolarHBondContact OH-CG 3.4Å
362I95.6Very high95.3Very high93 Ų9346.3 Ų46.348%0.47726%0.258SS..SBendtrans-56.6144.7167.4-70.1173.8000109.1E359 G364 T365 H368E359-I362 HydrophobicContact CB-CD1 4.23Å; E359-I362 HydrophobicContact CG-CD1 4.2Å; I362-G364 PolarHBondContact O-N 2.94Å; I362-T365 HydrophobicContact CB-CG2 4.49Å; I362-T365 WeakPolarHBondContact O-CB 3.4Å; I362-T365 VanDerWaalsContact O-CG2 3.26Å; I362-T365 WeakPolarHBondContact O-CG2 3.49Å; I362-T365 PolarHBondContact O-N 3.14Å; I362-T365 VanDerWaalsContact O-N 3.13Å; I362-T365 PolarHBondContact O-OG1 3.24Å; I362-H368 WeakPolarHBondContact O-CB 3.2Å
363P96.2Very high95.3Very high38 Ų3848.6 Ų48.625%0.24728%0.278CS..THydrogen-bonded Turntrans-48.9136.1178.5-31.337.3000114.2P386 P388P363-P386 HydrophobicContact CB-CB 3.73Å; P363-P386 HydrophobicContact CB-CG 3.6Å; P363-P386 HydrophobicContact CG-CB 4.4Å; P363-P386 HydrophobicContact CG-CG 3.88Å; P363-P388 HydrophobicContact CG-CB 4.06Å
364G93.4Very high95.3Very high65 Ų6552.8 Ų52.867%0.6730%0.298SS*.THydrogen-bonded Turntrans90.6-9.1-177.200000114.7I362I362-G364 PolarHBondContact O-N 2.94Å
365T96.1Very high95.5Very high31 Ų3149.2 Ų49.219%0.1928%0.278CS..SBendtrans-77.8153.2173.159.40000112A360 Y361 I362 C367 H368 Q369A360-T365 PolarHBondContact O-OG1 3.07Å; A360-T365 VanDerWaalsContact O-OG1 3.12Å; Y361-T365 WeakPolarHBondContact CA-OG1 3.42Å; I362-T365 HydrophobicContact CB-CG2 4.49Å; I362-T365 WeakPolarHBondContact O-CB 3.4Å; I362-T365 VanDerWaalsContact O-CG2 3.26Å; I362-T365 WeakPolarHBondContact O-CG2 3.49Å; I362-T365 PolarHBondContact O-N 3.14Å; I362-T365 VanDerWaalsContact O-N 3.13Å; I362-T365 PolarHBondContact O-OG1 3.24Å; T365-C367 VanDerWaalsContact C-N 3.26Å; T365-C367 PolarHBondContact O-N 3.44Å; T365-H368 WeakPolarHBondContact O-CB 3.22Å; T365-H368 PolarHBondContact O-N 3.3Å; T365-H368 WeakPolarHBondContact OG1-CB 3.46Å; T365-H368 PolarHBondContact OG1-N 2.98Å; T365-Q369 PolarHBondContact O-N 3.37Å
366P95.7Very high95.5Very high90 Ų9043.8 Ų43.858%0.58426%0.262SS*.Hα-helixtrans-57.9-38.3172.5-2635.3000113.1H368 Q369 A370P366-H368 PolarHBondContact O-N 3.24Å; P366-Q369 PolarHBondContact O-N 3.28Å; P366-A370 WeakPolarHBondContact O-CB 3.28Å; P366-A370 PolarHBondContact O-N 2.86Å
367C96.5Very high95.4Very high3 Ų348.2 Ų48.22%0.0228%0.278CS..Hα-helixtrans-62.1-43.2176.8-164.10000111.9A360 T365 Q369 A370 L371 E415A360-C367 WeakPolarHBondContact O-CB 3.33Å; T365-C367 VanDerWaalsContact C-N 3.26Å; T365-C367 PolarHBondContact O-N 3.44Å; C367-Q369 PolarHBondContact O-N 3.46Å; C367-A370 PolarHBondContact O-N 2.83Å; C367-L371 WeakPolarHBondContact O-CG 3.41Å; C367-L371 PolarHBondContact O-N 2.87Å; C367-E415 HydrophobicContact CB-CB 4.26Å; C367-E415 HydrophobicContact CB-CG 3.87Å
368H97.6Very high95.5Very high8 Ų854.1 Ų54.14%0.03730%0.304CS..Hα-helixtrans-56-49.9175.8175.2-110.5000111.5Y361 I362 T365 P366 A370 L371 L372 P386 Y387Y361-H368 WeakPolarHBondContact O-CB 3.42Å; Y361-H368 PolarHBondContact O-CD2 3.44Å; I362-H368 WeakPolarHBondContact O-CB 3.2Å; T365-H368 WeakPolarHBondContact O-CB 3.22Å; T365-H368 PolarHBondContact O-N 3.3Å; T365-H368 WeakPolarHBondContact OG1-CB 3.46Å; T365-H368 PolarHBondContact OG1-N 2.98Å; P366-H368 PolarHBondContact O-N 3.24Å; H368-A370 PolarHBondContact O-N 2.79Å; H368-L371 PolarHBondContact O-N 2.77Å; H368-L372 VanDerWaalsContact CE1-CD1 3.42Å; H368-L372 WeakPolarHBondContact CE1-CD1 3.4Å; H368-L372 WeakPolarHBondContact O-CG 3.32Å; H368-L372 PolarHBondContact O-N 3.17Å; H368-P386 PolarHBondContact CE1-O 2.71Å; H368-Y387 PolarHBondContact NE2-O 2.81Å
369Q96.6Very high95.7Very high121 Ų12156.2 Ų56.257%0.56531%0.312SS*.Hα-helixtrans-62.6-41.4178-67.4-179.7-16.500112.5T365 P366 C367 L371 L372 S373T365-Q369 PolarHBondContact O-N 3.37Å; P366-Q369 PolarHBondContact O-N 3.28Å; C367-Q369 PolarHBondContact O-N 3.46Å; Q369-L371 PolarHBondContact O-N 2.75Å; Q369-L372 PolarHBondContact O-N 3.25Å; Q369-S373 WeakPolarHBondContact O-CB 3.31Å; Q369-S373 PolarHBondContact O-N 3.41Å; Q369-S373 PolarHBondContact O-OG 2.73Å
370A97.5Very high95.7Very high41 Ų4153.7 Ų53.734%0.33930%0.3SS..Hα-helixtrans-61.4-4317700000111.8P366 C367 H368 S373 H374 I411P366-A370 WeakPolarHBondContact O-CB 3.28Å; P366-A370 PolarHBondContact O-N 2.86Å; C367-A370 PolarHBondContact O-N 2.83Å; H368-A370 PolarHBondContact O-N 2.79Å; A370-S373 PolarHBondContact O-N 2.91Å; A370-H374 WeakPolarHBondContact O-CB 3.39Å; A370-H374 PolarHBondContact O-N 3.49Å; A370-I411 HydrophobicContact CB-CG2 3.82Å
371L97.3Very high95.7Very high0 Ų053.9 Ų53.90%030%0.302CS..Hα-helixtrans-64.5-48.3176.7-69.7175000112.1Y361 C367 H368 Q369 S373 H374 F375 I380 I389 L408 I411 V412Y361-L371 HydrophobicContact CD1-CD1 4.07Å; Y361-L371 HydrophobicContact CG-CD1 3.86Å; C367-L371 WeakPolarHBondContact O-CG 3.41Å; C367-L371 PolarHBondContact O-N 2.87Å; H368-L371 PolarHBondContact O-N 2.77Å; Q369-L371 PolarHBondContact O-N 2.75Å; L371-S373 VanDerWaalsContact C-N 3.25Å; L371-S373 PolarHBondContact O-N 3.33Å; L371-H374 PolarHBondContact O-N 2.89Å; L371-F375 HydrophobicContact CD2-CD2 4.03Å; L371-F375 HydrophobicContact CD2-CE2 3.8Å; L371-F375 PolarHBondContact O-N 3.26Å; L371-I380 HydrophobicContact CB-CD1 4.06Å; L371-I380 WeakPolarHBondContact O-CD1 3.26Å; L371-I389 HydrophobicContact CD1-CG1 4.48Å; L371-L408 HydrophobicContact CD2-CD1 3.48Å; L371-L408 VanDerWaalsContact CD2-CD1 3.48Å; L371-I411 HydrophobicContact CD2-CB 4.27Å; L371-I411 HydrophobicContact CD2-CD1 4.21Å; L371-I411 HydrophobicContact CD2-CG2 3.87Å; L371-I411 HydrophobicContact CG-CG2 4.14Å; L371-V412 HydrophobicContact CD1-CG2 4.25Å; L371-V412 HydrophobicContact CD2-CG2 4.11Å
372L96.5Very high95.7Very high26 Ų2654.5 Ų54.514%0.13631%0.311CS..Hα-helixtrans-58.4-40.2177.9-66.9-174.5000111.8H368 Q369 G376 R377 I380 A381 I389H368-L372 VanDerWaalsContact CE1-CD1 3.42Å; H368-L372 WeakPolarHBondContact CE1-CD1 3.4Å; H368-L372 WeakPolarHBondContact O-CG 3.32Å; H368-L372 PolarHBondContact O-N 3.17Å; Q369-L372 PolarHBondContact O-N 3.25Å; L372-G376 CarbonylContact O-C 3.54Å; L372-G376 VanDerWaalsContact O-CA 3.25Å; L372-G376 WeakPolarHBondContact O-CA 3.31Å; L372-G376 PolarHBondContact O-N 3.39Å; L372-G376 VanDerWaalsContact O-N 3.07Å; L372-R377 HydrophobicContact CD2-CB 4.08Å; L372-R377 HydrophobicContact CD2-CG 4.07Å; L372-R377 PolarHBondContact O-N 3.43Å; L372-I380 HydrophobicContact CD2-CD1 4.27Å; L372-I380 HydrophobicContact CD2-CG1 4.25Å; L372-A381 HydrophobicContact CD2-CB 3.69Å; L372-I389 HydrophobicContact CD2-CD1 3.6Å; L372-I389 HydrophobicContact CG-CD1 4.33Å
373S96.4Very high95.4Very high103 Ų10355.2 Ų55.272%0.7232%0.321SS*.Hα-helixtrans-69.8-38.9179.5-55.70000112.2Q369 A370 L371Q369-S373 WeakPolarHBondContact O-CB 3.31Å; Q369-S373 PolarHBondContact O-N 3.41Å; Q369-S373 PolarHBondContact O-OG 2.73Å; A370-S373 PolarHBondContact O-N 2.91Å; L371-S373 VanDerWaalsContact C-N 3.25Å; L371-S373 PolarHBondContact O-N 3.33Å
374H97.1Very high95.1Very high94 Ų9457.9 Ų57.944%0.43534%0.336SS..Hα-helixtrans-78.5-49.6-176.3-171.786.8000113A370 L371 N407 I411A370-H374 WeakPolarHBondContact O-CB 3.39Å; A370-H374 PolarHBondContact O-N 3.49Å; L371-H374 PolarHBondContact O-N 2.89Å; H374-N407 WeakPolarHBondContact NE2-CB 3.35Å; H374-I411 HydrophobicContact CB-CD1 3.82Å
375F95.9Very high95Very high9 Ų958.9 Ų58.94%0.03933%0.331CS..Hα-helixtrans-92.4-13.1-174.4-67.3-73.9000113.6L371 K379 I380 L394 L397 V398 Q404 N407 L408 I411L371-F375 HydrophobicContact CD2-CD2 4.03Å; L371-F375 HydrophobicContact CD2-CE2 3.8Å; L371-F375 PolarHBondContact O-N 3.26Å; F375-K379 WeakPolarHBondContact O-CD 3.32Å; F375-I380 HydrophobicContact CB-CD1 3.72Å; F375-I380 HydrophobicContact CB-CG1 4.34Å; F375-I380 HydrophobicContact CB-CG2 3.72Å; F375-I380 HydrophobicContact CD2-CD1 4.32Å; F375-I380 HydrophobicContact CG-CD1 4.44Å; F375-I380 HydrophobicContact CG-CG2 4.43Å; F375-L394 HydrophobicContact CD2-CD1 4.25Å; F375-L394 HydrophobicContact CE2-CD1 4.4Å; F375-L394 HydrophobicContact CG-CD1 4.49Å; F375-L397 HydrophobicContact CB-CD2 4.19Å; F375-L397 HydrophobicContact CD1-CD2 3.78Å; F375-L397 HydrophobicContact CG-CD2 4.29Å; F375-V398 HydrophobicContact CE1-CG1 3.98Å; F375-V398 HydrophobicContact CZ-CG1 4.08Å; F375-Q404 HydrophobicContact CE1-CB 4.33Å; F375-N407 HydrophobicContact CZ-CB 4.25Å; F375-L408 HydrophobicContact CE2-CB 4.26Å; F375-L408 HydrophobicContact CE2-CD1 4.15Å; F375-L408 HydrophobicContact CZ-CB 3.96Å; F375-I411 HydrophobicContact CE2-CD1 4.41Å
376G94.7Very high94.9Very high16 Ų1661.5 Ų61.517%0.16535%0.349CS..  trans85.1122.7-173.800000111.4L372 E378 K379L372-G376 CarbonylContact O-C 3.54Å; L372-G376 VanDerWaalsContact O-CA 3.25Å; L372-G376 WeakPolarHBondContact O-CA 3.31Å; L372-G376 PolarHBondContact O-N 3.39Å; L372-G376 VanDerWaalsContact O-N 3.07Å; G376-E378 VanDerWaalsContact C-N 3.32Å; G376-E378 PolarHBondContact O-N 2.96Å; G376-K379 PolarHBondContact O-N 3.42Å
377R93.9Very high94.8Very high100 Ų10060.7 Ų60.738%0.37734%0.335SS..Hα-helixtrans-52.2-48.2-174.4175.7-173.466.7107.73.4112.7L372 K379 I380 A381 Y387L372-R377 HydrophobicContact CD2-CB 4.08Å; L372-R377 HydrophobicContact CD2-CG 4.07Å; L372-R377 PolarHBondContact O-N 3.43Å; R377-K379 PolarHBondContact O-N 2.97Å; R377-I380 PolarHBondContact O-N 2.99Å; R377-A381 HydrophobicContact CG-CB 4.24Å; R377-A381 WeakPolarHBondContact O-CB 3.37Å; R377-A381 PolarHBondContact O-N 3.25Å; R377-Y387 HydrophobicContact CG-CG 4.33Å; R377-Y387 VanDerWaalsContact NH1-CZ 3.29Å
378E94.7Very high94.8Very high133 Ų13363.1 Ų63.162%0.62135%0.35SS*.Hα-helixtrans-64-19.6-177.368.1-69.7161.200114.1G376G376-E378 VanDerWaalsContact C-N 3.32Å; G376-E378 PolarHBondContact O-N 2.96Å
379K94.2Very high94.7Very high124 Ų12463.6 Ų63.654%0.53935%0.353SS..Hα-helixtrans-88.6-25.2-179.7-59.2-170.5-169.2167.60113.2F375 G376 R377F375-K379 WeakPolarHBondContact O-CD 3.32Å; G376-K379 PolarHBondContact O-N 3.42Å; R377-K379 PolarHBondContact O-N 2.97Å
380I95.3Very high94.6Very high0 Ų061 Ų610%034%0.343CS..Hα-helixtrans-129-9.8-167.966170000114.5L371 L372 F375 R377 I389 D390 L394 L397L371-I380 HydrophobicContact CB-CD1 4.06Å; L371-I380 WeakPolarHBondContact O-CD1 3.26Å; L372-I380 HydrophobicContact CD2-CD1 4.27Å; L372-I380 HydrophobicContact CD2-CG1 4.25Å; F375-I380 HydrophobicContact CB-CD1 3.72Å; F375-I380 HydrophobicContact CB-CG1 4.34Å; F375-I380 HydrophobicContact CB-CG2 3.72Å; F375-I380 HydrophobicContact CD2-CD1 4.32Å; F375-I380 HydrophobicContact CG-CD1 4.44Å; F375-I380 HydrophobicContact CG-CG2 4.43Å; R377-I380 PolarHBondContact O-N 2.99Å; I380-I389 HydrophobicContact CD1-CD1 3.82Å; I380-I389 HydrophobicContact CG1-CD1 4.07Å; I380-I389 CarbonylContact O-C 3.32Å; I380-I389 WeakPolarHBondContact O-CA 3.42Å; I380-D390 PolarHBondContact O-N 2.82Å; I380-L394 HydrophobicContact CB-CB 4.42Å; I380-L394 HydrophobicContact CB-CD1 4.36Å; I380-L394 HydrophobicContact CG2-CB 4.44Å; I380-L394 HydrophobicContact CG2-CD1 3.86Å; I380-L397 HydrophobicContact CG2-CD2 3.67Å
381A94.7Very high94.3Very high7 Ų766 Ų666%0.05835%0.353CS..BIsolated β-bridgetrans-121.2153.6-175.700000112.7L372 R377 P388 I389L372-A381 HydrophobicContact CD2-CB 3.69Å; R377-A381 HydrophobicContact CG-CB 4.24Å; R377-A381 WeakPolarHBondContact O-CB 3.37Å; R377-A381 PolarHBondContact O-N 3.25Å; A381-P388 WeakPolarHBondContact CA-O 3.43Å; A381-I389 HydrophobicContact CB-CD1 4.35Å
382S93.4Very high93.9Very high43 Ų4367.8 Ų67.830%0.30137%0.372SS..  trans-58.7144.9169.1175.60000110.7V384 Y387 P388S382-V384 PolarHBondContact O-N 3.14Å; S382-V384 VanDerWaalsContact O-N 3.15Å; S382-Y387 WeakPolarHBondContact O-CD1 3.36Å; S382-P388 PolarHBondContact N-O 2.92Å
383P90.3Very high93.7Very high108 Ų10869.4 Ų69.470%0.70138%0.38SS*.SBendtrans-68.7-11.7-177.227.5-36000114.1Y387P383-Y387 WeakPolarHBondContact O-CE1 3.35Å
384V90Very high93.6Very high93 Ų9364.9 Ų64.956%0.56435%0.348SS*.SBendtrans-97.5130.3-176-172.70000110.7S382 Y387S382-V384 PolarHBondContact O-N 3.14Å; S382-V384 VanDerWaalsContact O-N 3.15Å; V384-Y387 WeakPolarHBondContact O-CA 3.45Å; V384-Y387 PolarHBondContact O-N 3.33Å
385P90.4Very high93.2Very high86 Ų8660.8 Ų60.856%0.55833%0.332SS*.THydrogen-bonded Turntrans-52142.4169.9-22.730.2000111.8Y387P385-Y387 VanDerWaalsContact C-N 3.27Å; P385-Y387 VanDerWaalsContact CA-N 3.26Å; P385-Y387 HydrophobicContact CB-CE1 4.35Å; P385-Y387 HydrophobicContact CB-CE2 4.41Å; P385-Y387 HydrophobicContact CG-CE1 3.77Å; P385-Y387 HydrophobicContact CG-CE2 4.29Å
386P93.9Very high92.8Very high87 Ų8768.6 Ų68.657%0.56536%0.361SS*.THydrogen-bonded Turncis-87.626.69.836.9-38000113.9P363 H368P363-P386 HydrophobicContact CB-CB 3.73Å; P363-P386 HydrophobicContact CB-CG 3.6Å; P363-P386 HydrophobicContact CG-CB 4.4Å; P363-P386 HydrophobicContact CG-CG 3.88Å; H368-P386 PolarHBondContact CE1-O 2.71Å
387Y94.3Very high92.6Very high73 Ų7370.4 Ų70.429%0.28637%0.366SS..  trans61.557.8176.7-46.1-60.8000113.4H368 R377 S382 P383 V384 P385 I389H368-Y387 PolarHBondContact NE2-O 2.81Å; R377-Y387 HydrophobicContact CG-CG 4.33Å; R377-Y387 VanDerWaalsContact NH1-CZ 3.29Å; S382-Y387 WeakPolarHBondContact O-CD1 3.36Å; P383-Y387 WeakPolarHBondContact O-CE1 3.35Å; V384-Y387 WeakPolarHBondContact O-CA 3.45Å; V384-Y387 PolarHBondContact O-N 3.33Å; P385-Y387 VanDerWaalsContact C-N 3.27Å; P385-Y387 VanDerWaalsContact CA-N 3.26Å; P385-Y387 HydrophobicContact CB-CE1 4.35Å; P385-Y387 HydrophobicContact CB-CE2 4.41Å; P385-Y387 HydrophobicContact CG-CE1 3.77Å; P385-Y387 HydrophobicContact CG-CE2 4.29Å; Y387-I389 PolarHBondContact O-N 3.05Å
388P95.3Very high92.4Very high54 Ų5465.7 Ų65.735%0.35135%0.349SS..  trans-58.3140.2175.127.3-34.7000111P363 A381 S382 D390P363-P388 HydrophobicContact CG-CB 4.06Å; A381-P388 WeakPolarHBondContact CA-O 3.43Å; S382-P388 PolarHBondContact N-O 2.92Å; P388-D390 PolarHBondContact O-N 3.43Å
389I96.2Very high91.8Very high18 Ų1865.1 Ų65.19%0.09234%0.344CS..BIsolated β-bridgetrans-63.7125.1174.8-58.2-52.5000109.6Y361 L371 L372 I380 A381 Y387 R391 L394Y361-I389 HydrophobicContact CD2-CB 3.83Å; Y361-I389 HydrophobicContact CD2-CG1 3.78Å; Y361-I389 HydrophobicContact CD2-CG2 4.32Å; Y361-I389 HydrophobicContact CE2-CB 3.95Å; Y361-I389 HydrophobicContact CE2-CG1 4.4Å; Y361-I389 HydrophobicContact CE2-CG2 4.15Å; Y361-I389 HydrophobicContact CG-CG1 4.46Å; L371-I389 HydrophobicContact CD1-CG1 4.48Å; L372-I389 HydrophobicContact CD2-CD1 3.6Å; L372-I389 HydrophobicContact CG-CD1 4.33Å; I380-I389 HydrophobicContact CD1-CD1 3.82Å; I380-I389 HydrophobicContact CG1-CD1 4.07Å; I380-I389 CarbonylContact O-C 3.32Å; I380-I389 WeakPolarHBondContact O-CA 3.42Å; A381-I389 HydrophobicContact CB-CD1 4.35Å; Y387-I389 PolarHBondContact O-N 3.05Å; I389-R391 PolarHBondContact O-N 3.2Å; I389-L394 HydrophobicContact CG2-CB 4.16Å; I389-L394 HydrophobicContact CG2-CD2 3.78Å
390D95.1Very high91.2Very high66 Ų6663.4 Ų63.435%0.35335%0.348SS..  trans-82.4108.5168-177.9-30.9000108.9I380 P388 G392 L393 L394I380-D390 PolarHBondContact O-N 2.82Å; P388-D390 PolarHBondContact O-N 3.43Å; D390-G392 VanDerWaalsContact C-N 3.26Å; D390-G392 PolarHBondContact O-N 2.87Å; D390-G392 WeakPolarHBondContact OD1-CA 3.48Å; D390-G392 PolarHBondContact OD1-N 2.6Å; D390-L393 HydrophobicContact CB-CB 3.97Å; D390-L393 HydrophobicContact CB-CD1 3.83Å; D390-L393 HydrophobicContact CB-CG 4.06Å; D390-L393 PolarHBondContact O-N 3.47Å; D390-L393 PolarHBondContact OD1-N 3.3Å; D390-L394 WeakPolarHBondContact O-CB 3.5Å; D390-L394 PolarHBondContact O-N 3.45Å
391R91.2Very high90.9Very high145 Ų14566.6 Ų66.655%0.54737%0.365SS..Hα-helixtrans-63.1-30-179.7-67.6179.2-72.4-179-3.7113.3H358 Y361 I389 G395H358-R391 PolarHBondContact CD2-NH1 2.92Å; H358-R391 PolarHBondContact CE1-NH1 2.77Å; H358-R391 PolarHBondContact ND1-NH1 3.4Å; H358-R391 PolarHBondContact NE2-NH1 3.2Å; Y361-R391 WeakPolarHBondContact OH-CD 3.2Å; Y361-R391 WeakPolarHBondContact OH-CG 3.4Å; I389-R391 PolarHBondContact O-N 3.2Å; R391-G395 WeakPolarHBondContact O-CA 3.44Å; R391-G395 PolarHBondContact O-N 3.38Å
392G89.4Confident90.5Very high39 Ų3971.5 Ų71.540%0.40240%0.396SS..Hα-helixtrans-72.8-41.4176.700000111.7D390 R396D390-G392 VanDerWaalsContact C-N 3.26Å; D390-G392 PolarHBondContact O-N 2.87Å; D390-G392 WeakPolarHBondContact OD1-CA 3.48Å; D390-G392 PolarHBondContact OD1-N 2.6Å; G392-R396 WeakPolarHBondContact O-CG 3.41Å; G392-R396 PolarHBondContact O-N 3.43Å; G392-R396 VanDerWaalsContact O-N 3.08Å; G392-R396 PolarHBondContact O-NE 3.04Å
393L92Very high90.5Very high59 Ų5972.1 Ų72.131%0.30940%0.404SS..Hα-helixtrans-65.1-53.5172.3-73.3174.2000111.7D390 G395 R396 L397D390-L393 HydrophobicContact CB-CB 3.97Å; D390-L393 HydrophobicContact CB-CD1 3.83Å; D390-L393 HydrophobicContact CB-CG 4.06Å; D390-L393 PolarHBondContact O-N 3.47Å; D390-L393 PolarHBondContact OD1-N 3.3Å; L393-G395 VanDerWaalsContact C-N 3.29Å; L393-G395 PolarHBondContact O-N 2.78Å; L393-R396 PolarHBondContact O-N 3.46Å; L393-L397 PolarHBondContact O-N 2.63Å
394L93.3Very high90.7Very high8 Ų869.3 Ų69.34%0.04238%0.381CS..Hα-helixtrans-57.2-45.4178.1179.563.1000110.9F375 I380 I389 D390 R396 L397 V398 L408F375-L394 HydrophobicContact CD2-CD1 4.25Å; F375-L394 HydrophobicContact CE2-CD1 4.4Å; F375-L394 HydrophobicContact CG-CD1 4.49Å; I380-L394 HydrophobicContact CB-CB 4.42Å; I380-L394 HydrophobicContact CB-CD1 4.36Å; I380-L394 HydrophobicContact CG2-CB 4.44Å; I380-L394 HydrophobicContact CG2-CD1 3.86Å; I389-L394 HydrophobicContact CG2-CB 4.16Å; I389-L394 HydrophobicContact CG2-CD2 3.78Å; D390-L394 WeakPolarHBondContact O-CB 3.5Å; D390-L394 PolarHBondContact O-N 3.45Å; L394-R396 PolarHBondContact O-N 3.37Å; L394-L397 WeakPolarHBondContact O-CB 3.34Å; L394-L397 PolarHBondContact O-N 3.43Å; L394-V398 HydrophobicContact CD1-CG1 3.8Å; L394-V398 HydrophobicContact CG-CG1 4.44Å; L394-V398 WeakPolarHBondContact O-CG1 3.46Å; L394-V398 VanDerWaalsContact O-CG2 3.29Å; L394-V398 WeakPolarHBondContact O-CG2 3.3Å; L394-V398 PolarHBondContact O-N 3.45Å; L394-L408 HydrophobicContact CD1-CD1 4.36Å; L394-L408 HydrophobicContact CD2-CD1 3.95Å; L394-L408 HydrophobicContact CD2-CD2 4.24Å; L394-L408 HydrophobicContact CG-CD2 4.36Å
395G88.8Confident90.8Very high9 Ų967.2 Ų67.29%0.09337%0.367CS..Hα-helixtrans-56.5-50.6176.700000112.5R391 L393 L397 V398 F399R391-G395 WeakPolarHBondContact O-CA 3.44Å; R391-G395 PolarHBondContact O-N 3.38Å; L393-G395 VanDerWaalsContact C-N 3.29Å; L393-G395 PolarHBondContact O-N 2.78Å; G395-L397 VanDerWaalsContact C-N 3.27Å; G395-L397 PolarHBondContact O-N 2.85Å; G395-V398 PolarHBondContact O-N 2.8Å; G395-F399 VanDerWaalsContact C-CD2 3.44Å; G395-F399 VanDerWaalsContact CA-CD2 3.44Å; G395-F399 WeakPolarHBondContact O-CB 3.39Å; G395-F399 WeakPolarHBondContact O-CD2 3.43Å; G395-F399 WeakPolarHBondContact O-CG 3.26Å; G395-F399 PolarHBondContact O-N 2.69Å
396R88.2Confident90.9Very high173 Ų17370.5 Ų70.565%0.65337%0.373SS*.Hα-helixtrans-59.6-38.5177.7-76-179.7-70.5-158.2-0.2112.7G392 L393 L394 S400G392-R396 WeakPolarHBondContact O-CG 3.41Å; G392-R396 PolarHBondContact O-N 3.43Å; G392-R396 VanDerWaalsContact O-N 3.08Å; G392-R396 PolarHBondContact O-NE 3.04Å; L393-R396 PolarHBondContact O-N 3.46Å; L394-R396 PolarHBondContact O-N 3.37Å; R396-S400 PolarHBondContact O-OG 3.48Å
397L90.3Very high91Very high53 Ų5369 Ų6928%0.27736%0.359SS..Hα-helixtrans-66.7-44.9179.5-177.766000112.2F375 I380 L393 L394 G395 S400F375-L397 HydrophobicContact CB-CD2 4.19Å; F375-L397 HydrophobicContact CD1-CD2 3.78Å; F375-L397 HydrophobicContact CG-CD2 4.29Å; I380-L397 HydrophobicContact CG2-CD2 3.67Å; L393-L397 PolarHBondContact O-N 2.63Å; L394-L397 WeakPolarHBondContact O-CB 3.34Å; L394-L397 PolarHBondContact O-N 3.43Å; G395-L397 VanDerWaalsContact C-N 3.27Å; G395-L397 PolarHBondContact O-N 2.85Å; L397-S400 PolarHBondContact O-OG 3.01Å
398V89.4Confident91.1Very high1 Ų166.6 Ų66.61%0.00635%0.352CS..Hα-helixtrans-92.2-30.5-173.1-54.90000113.4F375 L394 G395 S400 D401 Q404 L405 L408F375-V398 HydrophobicContact CE1-CG1 3.98Å; F375-V398 HydrophobicContact CZ-CG1 4.08Å; L394-V398 HydrophobicContact CD1-CG1 3.8Å; L394-V398 HydrophobicContact CG-CG1 4.44Å; L394-V398 WeakPolarHBondContact O-CG1 3.46Å; L394-V398 VanDerWaalsContact O-CG2 3.29Å; L394-V398 WeakPolarHBondContact O-CG2 3.3Å; L394-V398 PolarHBondContact O-N 3.45Å; G395-V398 PolarHBondContact O-N 2.8Å; V398-S400 VanDerWaalsContact C-N 3.29Å; V398-S400 PolarHBondContact O-N 3.04Å; V398-D401 CarbonylContact O-C 3.59Å; V398-D401 PolarHBondContact O-N 2.79Å; V398-Q404 HydrophobicContact CB-CB 4.39Å; V398-Q404 HydrophobicContact CG1-CB 4.29Å; V398-L405 HydrophobicContact CB-CD1 4.48Å; V398-L405 HydrophobicContact CG2-CD1 4.1Å; V398-L408 HydrophobicContact CB-CD2 4.34Å; V398-L408 HydrophobicContact CG1-CB 4.21Å; V398-L408 HydrophobicContact CG1-CD2 4.14Å; V398-L408 HydrophobicContact CG2-CD2 3.79Å
399F81.8Confident91Very high122 Ų12265.7 Ų65.754%0.53534%0.344SS..Hα-helixtrans-75.2-18.6-176.8-72.2-56.2000113.6G395 L405 R493G395-F399 VanDerWaalsContact C-CD2 3.44Å; G395-F399 VanDerWaalsContact CA-CD2 3.44Å; G395-F399 WeakPolarHBondContact O-CB 3.39Å; G395-F399 WeakPolarHBondContact O-CD2 3.43Å; G395-F399 WeakPolarHBondContact O-CG 3.26Å; G395-F399 PolarHBondContact O-N 2.69Å; F399-L405 HydrophobicContact CD1-CD1 4.45Å; F399-L405 HydrophobicContact CE1-CD1 4.29Å; F399-R493 PolarHBondContact O-NE 3.31Å
400S81.6Confident91Very high88 Ų8868.5 Ų68.562%0.61537%0.365SS*.THydrogen-bonded Turntrans-84.4-16173.953.70000113.2R396 L397 V398R396-S400 PolarHBondContact O-OG 3.48Å; L397-S400 PolarHBondContact O-OG 3.01Å; V398-S400 VanDerWaalsContact C-N 3.29Å; V398-S400 PolarHBondContact O-N 3.04Å
401D89.2Confident91.1Very high66 Ų6666.8 Ų66.835%0.35336%0.356SS..  trans-131.9108.2-174.5-176.6-20000111.4V398 A403 Q404 L405V398-D401 CarbonylContact O-C 3.59Å; V398-D401 PolarHBondContact O-N 2.79Å; D401-A403 PolarHBondContact O-N 2.95Å; D401-A403 WeakPolarHBondContact OD1-CB 3.35Å; D401-A403 PolarHBondContact OD1-N 3.25Å; D401-Q404 HydrophobicContact CB-CB 3.94Å; D401-Q404 HydrophobicContact CB-CG 3.77Å; D401-Q404 VanDerWaalsContact CG-CG 3.49Å; D401-Q404 PolarHBondContact O-N 3.38Å; D401-Q404 VanDerWaalsContact O-N 3.07Å; D401-Q404 PolarHBondContact OD1-N 2.88Å; D401-Q404 VanDerWaalsContact OD2-CG 3.27Å; D401-Q404 WeakPolarHBondContact OD2-CG 3.4Å; D401-L405 PolarHBondContact O-N 2.81Å
402P87.3Confident91.4Very high110 Ų11060.5 Ų60.571%0.71433%0.333SS*.Hα-helixtrans-55.1-33.3178.1-26.735.2000114.7K406P402-K406 WeakPolarHBondContact O-CB 3.36Å; P402-K406 PolarHBondContact O-N 3.46Å
403A92.6Very high91.7Very high57 Ų5761.2 Ų61.247%0.47132%0.324SS..Hα-helixtrans-69.5-40.4178.100000110.9D401 K406 N407D401-A403 PolarHBondContact O-N 2.95Å; D401-A403 WeakPolarHBondContact OD1-CB 3.35Å; D401-A403 PolarHBondContact OD1-N 3.25Å; A403-K406 WeakPolarHBondContact O-CB 3.35Å; A403-K406 PolarHBondContact O-N 3.31Å; A403-N407 VanDerWaalsContact O-CG 3.31Å; A403-N407 PolarHBondContact O-N 2.92Å; A403-N407 PolarHBondContact O-ND2 3.32Å
404Q94.1Very high92Very high48 Ų4861.4 Ų61.422%0.22433%0.329CS..Hα-helixtrans-69.3-37.1177-63.4-7359.900112.2F375 V398 D401 K406 N407 L408F375-Q404 HydrophobicContact CE1-CB 4.33Å; V398-Q404 HydrophobicContact CB-CB 4.39Å; V398-Q404 HydrophobicContact CG1-CB 4.29Å; D401-Q404 HydrophobicContact CB-CB 3.94Å; D401-Q404 HydrophobicContact CB-CG 3.77Å; D401-Q404 VanDerWaalsContact CG-CG 3.49Å; D401-Q404 PolarHBondContact O-N 3.38Å; D401-Q404 VanDerWaalsContact O-N 3.07Å; D401-Q404 PolarHBondContact OD1-N 2.88Å; D401-Q404 VanDerWaalsContact OD2-CG 3.27Å; D401-Q404 WeakPolarHBondContact OD2-CG 3.4Å; Q404-K406 VanDerWaalsContact C-N 3.32Å; Q404-K406 PolarHBondContact O-N 2.94Å; Q404-N407 PolarHBondContact O-N 2.79Å; Q404-N407 PolarHBondContact OE1-ND2 2.86Å; Q404-L408 PolarHBondContact O-N 2.79Å
405L92Very high92.1Very high50 Ų5063 Ų6326%0.26234%0.336SS..Hα-helixtrans-62-41.3172.2-175.359.9000111.6V398 F399 D401 L408 N409V398-L405 HydrophobicContact CB-CD1 4.48Å; V398-L405 HydrophobicContact CG2-CD1 4.1Å; F399-L405 HydrophobicContact CD1-CD1 4.45Å; F399-L405 HydrophobicContact CE1-CD1 4.29Å; D401-L405 PolarHBondContact O-N 2.81Å; L405-L408 PolarHBondContact O-N 3.06Å; L405-N409 WeakPolarHBondContact O-CB 3.32Å; L405-N409 PolarHBondContact O-N 2.84Å; L405-N409 PolarHBondContact O-ND2 3.44Å
406K92.4Very high92.5Very high155 Ų15563.1 Ų63.167%0.67433%0.334SS*.Hα-helixtrans-62.2-42.2175-173.5177.7-179.5177.20111.9P402 A403 Q404 N409 S410P402-K406 WeakPolarHBondContact O-CB 3.36Å; P402-K406 PolarHBondContact O-N 3.46Å; A403-K406 WeakPolarHBondContact O-CB 3.35Å; A403-K406 PolarHBondContact O-N 3.31Å; Q404-K406 VanDerWaalsContact C-N 3.32Å; Q404-K406 PolarHBondContact O-N 2.94Å; K406-N409 PolarHBondContact O-N 3.38Å; K406-S410 PolarHBondContact O-N 3.42Å
407N96Very high93Very high54 Ų5457.6 Ų57.629%0.28932%0.317SS..Hα-helixtrans-64-40.8175.2-69-23.3000112.3H374 F375 A403 Q404 S410 I411H374-N407 WeakPolarHBondContact NE2-CB 3.35Å; F375-N407 HydrophobicContact CZ-CB 4.25Å; A403-N407 VanDerWaalsContact O-CG 3.31Å; A403-N407 PolarHBondContact O-N 2.92Å; A403-N407 PolarHBondContact O-ND2 3.32Å; Q404-N407 PolarHBondContact O-N 2.79Å; Q404-N407 PolarHBondContact OE1-ND2 2.86Å; N407-S410 PolarHBondContact O-N 3.04Å; N407-S410 PolarHBondContact O-OG 3.5Å; N407-I411 WeakPolarHBondContact O-CG1 3.24Å; N407-I411 PolarHBondContact O-N 3.4Å
408L96Very high93.3Very high23 Ų2360.5 Ų60.512%0.1233%0.328CS..Hα-helixtrans-60.6-48.2174.5176.263000110.8L371 F375 L394 V398 Q404 L405 S410 I411 V412L371-L408 HydrophobicContact CD2-CD1 3.48Å; L371-L408 VanDerWaalsContact CD2-CD1 3.48Å; F375-L408 HydrophobicContact CE2-CB 4.26Å; F375-L408 HydrophobicContact CE2-CD1 4.15Å; F375-L408 HydrophobicContact CZ-CB 3.96Å; L394-L408 HydrophobicContact CD1-CD1 4.36Å; L394-L408 HydrophobicContact CD2-CD1 3.95Å; L394-L408 HydrophobicContact CD2-CD2 4.24Å; L394-L408 HydrophobicContact CG-CD2 4.36Å; V398-L408 HydrophobicContact CB-CD2 4.34Å; V398-L408 HydrophobicContact CG1-CB 4.21Å; V398-L408 HydrophobicContact CG1-CD2 4.14Å; V398-L408 HydrophobicContact CG2-CD2 3.79Å; Q404-L408 PolarHBondContact O-N 2.79Å; L405-L408 PolarHBondContact O-N 3.06Å; L408-S410 VanDerWaalsContact C-N 3.35Å; L408-S410 PolarHBondContact O-N 3.23Å; L408-I411 PolarHBondContact O-N 3.44Å; L408-V412 HydrophobicContact CD1-CG2 3.6Å; L408-V412 HydrophobicContact CG-CG2 4.26Å; L408-V412 WeakPolarHBondContact O-CB 3.44Å; L408-V412 WeakPolarHBondContact O-CG2 3.34Å; L408-V412 PolarHBondContact O-N 2.93Å
409N95.1Very high93.6Very high36 Ų3663.5 Ų63.519%0.19334%0.341CS..Hα-helixtrans-62.9-39.2-178.4-71.5-20.9000112.2L405 K406 I411 V412 W413L405-N409 WeakPolarHBondContact O-CB 3.32Å; L405-N409 PolarHBondContact O-N 2.84Å; L405-N409 PolarHBondContact O-ND2 3.44Å; K406-N409 PolarHBondContact O-N 3.38Å; N409-I411 VanDerWaalsContact C-N 3.26Å; N409-I411 PolarHBondContact O-N 3.09Å; N409-V412 PolarHBondContact O-N 3.42Å; N409-W413 HydrophobicContact CB-CD2 3.78Å; N409-W413 HydrophobicContact CB-CE3 4.05Å; N409-W413 HydrophobicContact CB-CG 4.38Å; N409-W413 HydrophobicContact CB-CH2 3.97Å; N409-W413 HydrophobicContact CB-CZ2 3.67Å; N409-W413 HydrophobicContact CB-CZ3 4.15Å; N409-W413 VanDerWaalsContact CG-CE2 3.46Å; N409-W413 VanDerWaalsContact ND2-CZ2 3.33Å; N409-W413 WeakPolarHBondContact ND2-CZ2 3.1Å; N409-W413 VanDerWaalsContact O-CB 3.28Å; N409-W413 WeakPolarHBondContact O-CB 3.32Å; N409-W413 VanDerWaalsContact O-CG 3.31Å; N409-W413 PolarHBondContact O-N 3.47Å; N409-W413 PolarHBondContact OD1-NE1 2.87Å
410S96Very high94.4Very high76 Ų7657.7 Ų57.753%0.53132%0.315SS..Hα-helixtrans-66.5-26.9178.469.30000113.4K406 N407 L408 P414K406-S410 PolarHBondContact O-N 3.42Å; N407-S410 PolarHBondContact O-N 3.04Å; N407-S410 PolarHBondContact O-OG 3.5Å; L408-S410 VanDerWaalsContact C-N 3.35Å; L408-S410 PolarHBondContact O-N 3.23Å; S410-P414 WeakPolarHBondContact O-CD 3.4Å; S410-P414 WeakPolarHBondContact O-CG 3.44Å
411I96.8Very high95.1Very high31 Ų3157.7 Ų57.716%0.15931%0.308CS..Hα-helixtrans-82.1-46.5174.3-63.7168.3000110.8A370 L371 H374 F375 N407 L408 N409A370-I411 HydrophobicContact CB-CG2 3.82Å; L371-I411 HydrophobicContact CD2-CB 4.27Å; L371-I411 HydrophobicContact CD2-CD1 4.21Å; L371-I411 HydrophobicContact CD2-CG2 3.87Å; L371-I411 HydrophobicContact CG-CG2 4.14Å; H374-I411 HydrophobicContact CB-CD1 3.82Å; F375-I411 HydrophobicContact CE2-CD1 4.41Å; N407-I411 WeakPolarHBondContact O-CG1 3.24Å; N407-I411 PolarHBondContact O-N 3.4Å; L408-I411 PolarHBondContact O-N 3.44Å; N409-I411 VanDerWaalsContact C-N 3.26Å; N409-I411 PolarHBondContact O-N 3.09Å
412V96.8Very high95.4Very high12 Ų1258.1 Ų58.17%0.07331%0.313CS..Hα-helixtrans-85.1-40.5-166.9175.90000113L371 L408 N409 E415 I416L371-V412 HydrophobicContact CD1-CG2 4.25Å; L371-V412 HydrophobicContact CD2-CG2 4.11Å; L408-V412 HydrophobicContact CD1-CG2 3.6Å; L408-V412 HydrophobicContact CG-CG2 4.26Å; L408-V412 WeakPolarHBondContact O-CB 3.44Å; L408-V412 WeakPolarHBondContact O-CG2 3.34Å; L408-V412 PolarHBondContact O-N 2.93Å; N409-V412 PolarHBondContact O-N 3.42Å; V412-E415 PolarHBondContact O-N 3.44Å; V412-E415 VanDerWaalsContact O-N 3.13Å; V412-I416 HydrophobicContact CG1-CD1 3.62Å; V412-I416 HydrophobicContact CG1-CG1 3.95Å; V412-I416 WeakPolarHBondContact O-CG1 3.15Å; V412-I416 PolarHBondContact O-N 2.76Å
413W96.8Very high95.9Very high55 Ų5554.8 Ų54.821%0.20829%0.291CS..Hα-helixtrans-61.5-40.5-174.6-68.2-10000114.4N409 E415 I416 L417 V449 Q452 A453 W455N409-W413 HydrophobicContact CB-CD2 3.78Å; N409-W413 HydrophobicContact CB-CE3 4.05Å; N409-W413 HydrophobicContact CB-CG 4.38Å; N409-W413 HydrophobicContact CB-CH2 3.97Å; N409-W413 HydrophobicContact CB-CZ2 3.67Å; N409-W413 HydrophobicContact CB-CZ3 4.15Å; N409-W413 VanDerWaalsContact CG-CE2 3.46Å; N409-W413 VanDerWaalsContact ND2-CZ2 3.33Å; N409-W413 WeakPolarHBondContact ND2-CZ2 3.1Å; N409-W413 VanDerWaalsContact O-CB 3.28Å; N409-W413 WeakPolarHBondContact O-CB 3.32Å; N409-W413 VanDerWaalsContact O-CG 3.31Å; N409-W413 PolarHBondContact O-N 3.47Å; N409-W413 PolarHBondContact OD1-NE1 2.87Å; W413-E415 VanDerWaalsContact C-N 3.25Å; W413-E415 PolarHBondContact O-N 2.97Å; W413-I416 PolarHBondContact O-N 3.41Å; W413-L417 WeakPolarHBondContact O-CB 3.48Å; W413-L417 PolarHBondContact O-N 3.44Å; W413-V449 HydrophobicContact CZ2-CB 4.14Å; W413-V449 HydrophobicContact CZ2-CG1 4.27Å; W413-Q452 HydrophobicContact CH2-CB 3.86Å; W413-Q452 HydrophobicContact CZ2-CB 4.43Å; W413-A453 HydrophobicContact CD2-CB 3.72Å; W413-A453 HydrophobicContact CE3-CB 3.68Å; W413-A453 HydrophobicContact CG-CB 4.18Å; W413-A453 HydrophobicContact CH2-CB 4.45Å; W413-A453 HydrophobicContact CZ2-CB 4.49Å; W413-A453 HydrophobicContact CZ3-CB 4.06Å; W413-W455 HydrophobicContact CB-CZ2 4.02Å; W413-W455 HydrophobicContact CG-CZ2 4.14Å
414P96.5Very high96Very high63 Ų6352.9 Ų52.941%0.40927%0.273SS..Hα-helixtrans-58.7-37.6174.3-25.836.2000112.9S410 L417 K418S410-P414 WeakPolarHBondContact O-CD 3.4Å; S410-P414 WeakPolarHBondContact O-CG 3.44Å; P414-L417 PolarHBondContact O-N 3.21Å; P414-K418 WeakPolarHBondContact O-CG 3.49Å; P414-K418 PolarHBondContact O-N 3.03Å
415E97.2Very high96Very high42 Ų4257.1 Ų57.120%0.19629%0.291CS..Hα-helixtrans-73.8-36.7179.6-65.3-60.2134.700112.2A360 C367 V412 W413 K418 K419A360-E415 HydrophobicContact CB-CB 4.35Å; C367-E415 HydrophobicContact CB-CB 4.26Å; C367-E415 HydrophobicContact CB-CG 3.87Å; V412-E415 PolarHBondContact O-N 3.44Å; V412-E415 VanDerWaalsContact O-N 3.13Å; W413-E415 VanDerWaalsContact C-N 3.25Å; W413-E415 PolarHBondContact O-N 2.97Å; E415-K418 PolarHBondContact O-N 3.49Å; E415-K418 IonicContact OE1-NZ 2.69Å; E415-K418 PolarHBondContact OE1-NZ 3.49Å; E415-K418 IonicContact OE2-NZ 3.99Å; E415-K419 PolarHBondContact O-N 3.42Å; E415-K419 VanDerWaalsContact O-N 3.13Å
416I97.4Very high96.1Very high11 Ų1159.5 Ų59.56%0.05630%0.301CS..Hα-helixtrans-62.2-45.8170.9-63.4174.7000110.1L356 A360 V412 W413 K418 K419 I420 W455L356-I416 HydrophobicContact CB-CG2 4.41Å; A360-I416 HydrophobicContact CB-CG1 4.2Å; V412-I416 HydrophobicContact CG1-CD1 3.62Å; V412-I416 HydrophobicContact CG1-CG1 3.95Å; V412-I416 WeakPolarHBondContact O-CG1 3.15Å; V412-I416 PolarHBondContact O-N 2.76Å; W413-I416 PolarHBondContact O-N 3.41Å; I416-K418 VanDerWaalsContact C-N 3.34Å; I416-K418 PolarHBondContact O-N 3.39Å; I416-K419 WeakPolarHBondContact O-CB 3.41Å; I416-K419 PolarHBondContact O-N 2.63Å; I416-K419 VanDerWaalsContact O-N 3.11Å; I416-I420 HydrophobicContact CG2-CD1 3.83Å; I416-I420 HydrophobicContact CG2-CG1 4.22Å; I416-I420 WeakPolarHBondContact O-CG1 3.49Å; I416-I420 PolarHBondContact O-N 2.88Å; I416-W455 HydrophobicContact CB-CH2 4Å; I416-W455 HydrophobicContact CB-CZ2 4.03Å; I416-W455 HydrophobicContact CD1-CH2 4.16Å; I416-W455 HydrophobicContact CG2-CH2 3.53Å; I416-W455 HydrophobicContact CG2-CZ2 3.93Å; I416-W455 HydrophobicContact CG2-CZ3 4.19Å
417L97.2Very high96.1Very high56 Ų5653 Ų5329%0.29327%0.273SS..Hα-helixtrans-59.4-44.1179-179.160000111.7W413 P414 K419 I420 L421 M458W413-L417 WeakPolarHBondContact O-CB 3.48Å; W413-L417 PolarHBondContact O-N 3.44Å; P414-L417 PolarHBondContact O-N 3.21Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 2.88Å; L417-I420 PolarHBondContact O-N 3.44Å; L417-L421 HydrophobicContact CD1-CD1 4.42Å; L417-L421 HydrophobicContact CD1-CG 4.29Å; L417-L421 HydrophobicContact CG-CD1 4.25Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.26Å; L417-M458 HydrophobicContact CD1-CE 3.65Å; L417-M458 HydrophobicContact CD1-SD 3.73Å
418K96.8Very high95.9Very high115 Ų11552.7 Ų52.750%0.527%0.27SS..Hα-helixtrans-57-43.4174.1-73.1172.6-173.2172.20112.1P414 E415 I416 L421 T422P414-K418 WeakPolarHBondContact O-CG 3.49Å; P414-K418 PolarHBondContact O-N 3.03Å; E415-K418 PolarHBondContact O-N 3.49Å; E415-K418 IonicContact OE1-NZ 2.69Å; E415-K418 PolarHBondContact OE1-NZ 3.49Å; E415-K418 IonicContact OE2-NZ 3.99Å; I416-K418 VanDerWaalsContact C-N 3.34Å; I416-K418 PolarHBondContact O-N 3.39Å; K418-L421 PolarHBondContact O-N 2.91Å; K418-T422 WeakPolarHBondContact O-CB 3.3Å; K418-T422 PolarHBondContact O-N 3.07Å; K418-T422 PolarHBondContact O-OG1 2.89Å
419K97Very high95.6Very high63 Ų6354.2 Ų54.227%0.27428%0.281SS..Hα-helixtrans-64.6-44.3176.2-74.3179.3172.2-71.90112.3L356 E359 A360 E415 I416 L417 L421 T422 V423L356-K419 HydrophobicContact CD1-CB 4.17Å; L356-K419 HydrophobicContact CD2-CB 4.37Å; E359-K419 WeakPolarHBondContact O-CE 3.34Å; A360-K419 VanDerWaalsContact CA-CE 3.43Å; A360-K419 HydrophobicContact CB-CD 4.43Å; E415-K419 PolarHBondContact O-N 3.42Å; E415-K419 VanDerWaalsContact O-N 3.13Å; I416-K419 WeakPolarHBondContact O-CB 3.41Å; I416-K419 PolarHBondContact O-N 2.63Å; I416-K419 VanDerWaalsContact O-N 3.11Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 2.88Å; K419-L421 VanDerWaalsContact C-N 3.34Å; K419-L421 PolarHBondContact O-N 3.26Å; K419-T422 WeakPolarHBondContact O-CB 3.49Å; K419-T422 PolarHBondContact O-N 3.12Å; K419-V423 WeakPolarHBondContact O-CG2 3.26Å; K419-V423 PolarHBondContact O-N 2.91Å
420I97.4Very high95.4Very high0 Ų058.8 Ų58.80%030%0.3CS..Hα-helixtrans-56.3-51.1175.6-66166.1000109.8I351 L356 I416 L417 T422 V423 V424 I445 W455 M458I351-I420 HydrophobicContact CD1-CG2 4.21Å; I351-I420 HydrophobicContact CG2-CG1 4.3Å; L356-I420 HydrophobicContact CD1-CG1 3.72Å; I416-I420 HydrophobicContact CG2-CD1 3.83Å; I416-I420 HydrophobicContact CG2-CG1 4.22Å; I416-I420 WeakPolarHBondContact O-CG1 3.49Å; I416-I420 PolarHBondContact O-N 2.88Å; L417-I420 PolarHBondContact O-N 3.44Å; I420-T422 VanDerWaalsContact C-N 3.27Å; I420-T422 PolarHBondContact O-N 2.83Å; I420-V423 PolarHBondContact O-N 2.92Å; I420-V424 HydrophobicContact CG2-CG2 4.28Å; I420-V424 VanDerWaalsContact O-CG2 3.31Å; I420-V424 WeakPolarHBondContact O-CG2 3.38Å; I420-V424 PolarHBondContact O-N 3.18Å; I420-I445 HydrophobicContact CD1-CG2 4.29Å; I420-I445 HydrophobicContact CG2-CD1 4.02Å; I420-I445 HydrophobicContact CG2-CG1 4.45Å; I420-W455 HydrophobicContact CD1-CD2 4.38Å; I420-W455 HydrophobicContact CD1-CE3 4.19Å; I420-W455 HydrophobicContact CD1-CZ3 4.35Å; I420-M458 HydrophobicContact CD1-CE 4.44Å; I420-M458 HydrophobicContact CG2-CE 4.07Å
421L96.2Very high94.9Very high88 Ų8855.4 Ų55.446%0.46128%0.277SS..Hα-helixtrans-62.9-33.7-179.7-66.6176000112.8L417 K418 K419 V424 K425 M458L417-L421 HydrophobicContact CD1-CD1 4.42Å; L417-L421 HydrophobicContact CD1-CG 4.29Å; L417-L421 HydrophobicContact CG-CD1 4.25Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.26Å; K418-L421 PolarHBondContact O-N 2.91Å; K419-L421 VanDerWaalsContact C-N 3.34Å; K419-L421 PolarHBondContact O-N 3.26Å; L421-V424 PolarHBondContact O-N 3.47Å; L421-K425 WeakPolarHBondContact O-CB 3.33Å; L421-K425 PolarHBondContact O-N 2.93Å; L421-M458 HydrophobicContact CD2-SD 4.23Å
422T96.5Very high94.3Very high75 Ų7558 Ų5846%0.4629%0.29SS..Hα-helixtrans-63.2-49.5174.3-570000110.6K418 K419 I420 V424 K425 E426K418-T422 WeakPolarHBondContact O-CB 3.3Å; K418-T422 PolarHBondContact O-N 3.07Å; K418-T422 PolarHBondContact O-OG1 2.89Å; K419-T422 WeakPolarHBondContact O-CB 3.49Å; K419-T422 PolarHBondContact O-N 3.12Å; I420-T422 VanDerWaalsContact C-N 3.27Å; I420-T422 PolarHBondContact O-N 2.83Å; T422-V424 VanDerWaalsContact C-N 3.35Å; T422-V424 PolarHBondContact O-N 2.93Å; T422-K425 PolarHBondContact O-N 3.12Å; T422-E426 WeakPolarHBondContact O-CG 3.26Å; T422-E426 PolarHBondContact O-N 3.31Å
423V96.3Very high93.7Very high41 Ų4164.7 Ų64.725%0.24832%0.321CS..Hα-helixtrans-63.2-40.5178176.40000111.5I351 K419 I420 K425 E426 I427I351-V423 HydrophobicContact CD1-CB 4.01Å; I351-V423 HydrophobicContact CD1-CG1 3.71Å; I351-V423 HydrophobicContact CG1-CG1 3.91Å; K419-V423 WeakPolarHBondContact O-CG2 3.26Å; K419-V423 PolarHBondContact O-N 2.91Å; I420-V423 PolarHBondContact O-N 2.92Å; V423-K425 VanDerWaalsContact C-N 3.32Å; V423-K425 PolarHBondContact O-N 2.93Å; V423-E426 PolarHBondContact O-N 3.49Å; V423-I427 HydrophobicContact CG1-CD1 3.92Å; V423-I427 WeakPolarHBondContact O-CG1 3.43Å; V423-I427 PolarHBondContact O-N 3.5Å
424V94.9Very high92.7Very high17 Ų1767.1 Ų67.110%0.10334%0.335CS..Hα-helixtrans-58.1-46.5175170.20000110.6P321 L323 I351 I420 L421 T422 I427 E428 I443P321-V424 HydrophobicContact CB-CG1 4.43Å; P321-V424 HydrophobicContact CG-CG1 4.2Å; L323-V424 HydrophobicContact CD2-CG1 4.15Å; L323-V424 HydrophobicContact CD2-CG2 3.92Å; I351-V424 HydrophobicContact CD1-CG2 4.16Å; I420-V424 HydrophobicContact CG2-CG2 4.28Å; I420-V424 VanDerWaalsContact O-CG2 3.31Å; I420-V424 WeakPolarHBondContact O-CG2 3.38Å; I420-V424 PolarHBondContact O-N 3.18Å; L421-V424 PolarHBondContact O-N 3.47Å; T422-V424 VanDerWaalsContact C-N 3.35Å; T422-V424 PolarHBondContact O-N 2.93Å; V424-I427 PolarHBondContact O-N 3.26Å; V424-E428 PolarHBondContact O-N 2.88Å; V424-I443 HydrophobicContact CB-CD1 4.19Å; V424-I443 HydrophobicContact CG1-CD1 4.17Å; V424-I443 HydrophobicContact CG2-CD1 3.87Å
425K93.8Very high91.2Very high137 Ų13772.4 Ų72.460%0.59636%0.359SS*.Hα-helixtrans-65.7-39.6178.3-172.6175.9-178.7179.40112.6L421 T422 V423 I427 E428 C429L421-K425 WeakPolarHBondContact O-CB 3.33Å; L421-K425 PolarHBondContact O-N 2.93Å; T422-K425 PolarHBondContact O-N 3.12Å; V423-K425 VanDerWaalsContact C-N 3.32Å; V423-K425 PolarHBondContact O-N 2.93Å; K425-I427 VanDerWaalsContact C-N 3.32Å; K425-I427 PolarHBondContact O-N 2.98Å; K425-E428 PolarHBondContact O-N 3.47Å; K425-C429 PolarHBondContact O-N 3.28Å; K425-C429 PolarHBondContact O-SG 3.05Å; K425-C429 VanDerWaalsContact O-SG 3.34Å
426E94.9Very high89.9Confident100 Ų10080.7 Ų80.747%0.46739%0.389SS..Hα-helixtrans-61.2-40.6175.3-73.5172.8-172.100112.1T422 V423 K430T422-E426 WeakPolarHBondContact O-CG 3.26Å; T422-E426 PolarHBondContact O-N 3.31Å; V423-E426 PolarHBondContact O-N 3.49Å; E426-K430 VanDerWaalsContact O-CG 3.32Å; E426-K430 WeakPolarHBondContact O-CG 3.4Å; E426-K430 PolarHBondContact O-N 2.9Å; E426-K430 VanDerWaalsContact O-N 3.08Å
427I93.1Very high88.4Confident19 Ų1987 Ų8710%0.09742%0.423CS..Hα-helixtrans-66.9-42.8176-68.7164.3000110.6H349 V423 V424 K425 K430 A431 P441 I443H349-I427 HydrophobicContact CB-CD1 3.71Å; V423-I427 HydrophobicContact CG1-CD1 3.92Å; V423-I427 WeakPolarHBondContact O-CG1 3.43Å; V423-I427 PolarHBondContact O-N 3.5Å; V424-I427 PolarHBondContact O-N 3.26Å; K425-I427 VanDerWaalsContact C-N 3.32Å; K425-I427 PolarHBondContact O-N 2.98Å; I427-K430 PolarHBondContact O-N 3.5Å; I427-A431 WeakPolarHBondContact O-CB 3.29Å; I427-A431 PolarHBondContact O-N 3.42Å; I427-P441 HydrophobicContact CG2-CB 3.73Å; I427-P441 HydrophobicContact CG2-CG 4.19Å; I427-I443 HydrophobicContact CB-CD1 4.15Å; I427-I443 HydrophobicContact CD1-CD1 3.64Å; I427-I443 HydrophobicContact CD1-CG1 4.03Å; I427-I443 HydrophobicContact CG2-CD1 4.07Å; I427-I443 HydrophobicContact CG2-CG1 4.43Å
428E91.1Very high87.1Confident47 Ų4784.9 Ų84.922%0.2241%0.412CS..Hα-helixtrans-59.9-47.9175.6-175.2176.1-156.300111.8P321 V424 K425 K430 A431 L432P321-E428 HydrophobicContact CG-CB 3.91Å; V424-E428 PolarHBondContact O-N 2.88Å; K425-E428 PolarHBondContact O-N 3.47Å; E428-K430 PolarHBondContact O-N 2.7Å; E428-A431 PolarHBondContact O-N 2.96Å; E428-A431 VanDerWaalsContact O-N 3.16Å; E428-L432 HydrophobicContact CG-CD1 4.22Å; E428-L432 WeakPolarHBondContact O-CG 3.26Å; E428-L432 PolarHBondContact O-N 3.1Å
429C90.8Very high86.4Confident54 Ų5486.3 Ų86.337%0.36542%0.418SS..Hα-helixtrans-58.7-46.1176.4-70.80000112K425 A431 L432 E433K425-C429 PolarHBondContact O-N 3.28Å; K425-C429 PolarHBondContact O-SG 3.05Å; K425-C429 VanDerWaalsContact O-SG 3.34Å; C429-A431 VanDerWaalsContact C-N 3.27Å; C429-A431 PolarHBondContact O-N 3.36Å; C429-L432 WeakPolarHBondContact O-CB 3.49Å; C429-L432 PolarHBondContact O-N 3.38Å; C429-L432 VanDerWaalsContact O-N 3.1Å; C429-E433 WeakPolarHBondContact O-CG 3.44Å; C429-E433 PolarHBondContact O-N 3.42Å; C429-E433 VanDerWaalsContact O-N 3.16Å
430K89.6Confident86Confident132 Ų13284.1 Ų84.157%0.57441%0.408SS*.Hα-helixtrans-61.8-33.5176.5-74.1173.5-177.3173.80113.1E426 I427 E428E426-K430 VanDerWaalsContact O-CG 3.32Å; E426-K430 WeakPolarHBondContact O-CG 3.4Å; E426-K430 PolarHBondContact O-N 2.9Å; E426-K430 VanDerWaalsContact O-N 3.08Å; I427-K430 PolarHBondContact O-N 3.5Å; E428-K430 PolarHBondContact O-N 2.7Å
431A86.5Confident85.8Confident6 Ų684.4 Ų84.45%0.0541%0.41CS..Hα-helixtrans-72.9-31.517600000112.2I427 E428 C429 P441I427-A431 WeakPolarHBondContact O-CB 3.29Å; I427-A431 PolarHBondContact O-N 3.42Å; E428-A431 PolarHBondContact O-N 2.96Å; E428-A431 VanDerWaalsContact O-N 3.16Å; C429-A431 VanDerWaalsContact C-N 3.27Å; C429-A431 PolarHBondContact O-N 3.36Å; A431-P441 HydrophobicContact CB-CG 3.56Å
432L83.5Confident85.7Confident85 Ų8580.2 Ų80.245%0.44539%0.388SS..Hα-helixtrans-71.2-29.8176.6-71.6164.5000113.2R319 E428 C429 Q434R319-L432 HydrophobicContact CB-CD2 4.03Å; R319-L432 VanDerWaalsContact CD-CD2 3.43Å; R319-L432 HydrophobicContact CG-CD2 4.39Å; R319-L432 PolarHBondContact NH1-O 3.08Å; E428-L432 HydrophobicContact CG-CD1 4.22Å; E428-L432 WeakPolarHBondContact O-CG 3.26Å; E428-L432 PolarHBondContact O-N 3.1Å; C429-L432 WeakPolarHBondContact O-CB 3.49Å; C429-L432 PolarHBondContact O-N 3.38Å; C429-L432 VanDerWaalsContact O-N 3.1Å; L432-Q434 VanDerWaalsContact C-N 3.29Å; L432-Q434 PolarHBondContact O-N 3.24Å
433E84.2Confident85.8Confident153 Ų15376.7 Ų76.772%0.71537%0.367SS*.THydrogen-bonded Turntrans-75.3-11.1179-71.8172.1-175.400114.1C429C429-E433 WeakPolarHBondContact O-CG 3.44Å; C429-E433 PolarHBondContact O-N 3.42Å; C429-E433 VanDerWaalsContact O-N 3.16Å
434Q76.2Confident85.9Confident106 Ų10674.8 Ų74.850%0.49536%0.355SS..  trans-79.9124.9-179.4-65.317914.900111.1L432 R436 P438L432-Q434 VanDerWaalsContact C-N 3.29Å; L432-Q434 PolarHBondContact O-N 3.24Å; Q434-R436 VanDerWaalsContact C-N 3.29Å; Q434-R436 PolarHBondContact O-N 3.48Å; Q434-P438 HydrophobicContact CB-CB 4.29Å; Q434-P438 HydrophobicContact CB-CG 4.38Å
435D65.6Low86Confident174 Ų17474 Ų7493%0.9335%0.35SS*.SBendtrans-69.4-21.1178.5-85-22.1000114.1
436R68.8Low86.2Confident216 Ų21667.7 Ų67.782%0.81532%0.323SS*.SBendtrans-85.8156.4178-57.9-173.9-160-151.94.2109.8Q434 P438Q434-R436 VanDerWaalsContact C-N 3.29Å; Q434-R436 PolarHBondContact O-N 3.48Å; R436-P438 WeakPolarHBondContact O-CD 3.32Å; R436-P438 WeakPolarHBondContact O-CG 3.14Å
437D66.4Low86.3Confident143 Ų14362.9 Ų62.977%0.76530%0.301SS*.  trans-57.695168.7-174.724.3000109.7
438P69.8Low86.3Confident11 Ų1163.4 Ų63.47%0.07131%0.307CS..PPolyproline II helixtrans-85.7132.8-168.425-11.4000108.1Q434 R436 R440Q434-P438 HydrophobicContact CB-CB 4.29Å; Q434-P438 HydrophobicContact CB-CG 4.38Å; R436-P438 WeakPolarHBondContact O-CD 3.32Å; R436-P438 WeakPolarHBondContact O-CG 3.14Å; P438-R440 PolarHBondContact O-N 3.44Å
439K81.6Confident86.5Confident146 Ų14663.2 Ų63.264%0.63531%0.31SS*.PPolyproline II helixtrans-58133.5172.1-66.9-173.2177.6-175.50109.3Q347Q347-K439 HydrophobicContact CG-CB 4.24Å
440R88.2Confident86.8Confident16 Ų1660.7 Ų60.76%0.0629%0.292CS..PPolyproline II helixtrans-47.8119.9-180-174.9174.3179.1179.5-0.1112.1S318 S320 Q347 P438 V442 H460S318-R440 WeakPolarHBondContact O-CA 3.45Å; S318-R440 WeakPolarHBondContact O-CB 3.46Å; S318-R440 WeakPolarHBondContact O-CG 3.36Å; S320-R440 VanDerWaalsContact O-CG 3.25Å; S320-R440 WeakPolarHBondContact O-CG 3.32Å; S320-R440 PolarHBondContact O-NE 2.96Å; S320-R440 PolarHBondContact O-NH2 3.37Å; Q347-R440 VanDerWaalsContact CD-O 3.28Å; Q347-R440 WeakPolarHBondContact CG-O 3.27Å; Q347-R440 PolarHBondContact NE2-O 3.45Å; P438-R440 PolarHBondContact O-N 3.44Å; R440-V442 PolarHBondContact O-N 3.17Å; R440-H460 PolarHBondContact NH2-NE2 3.04Å
441P92.9Very high87.1Confident7 Ų754.7 Ų54.75%0.04527%0.267CS..PPolyproline II helixtrans-57140.8179.4-23.933000111.7P321 Y322 I427 A431P321-P441 CarbonylContact C-O 3.2Å; P321-P441 WeakPolarHBondContact CA-O 3.39Å; P321-P441 HydrophobicContact CB-CB 4.34Å; P321-P441 HydrophobicContact CG-CB 4.46Å; Y322-P441 PolarHBondContact N-O 3.23Å; I427-P441 HydrophobicContact CG2-CB 3.73Å; I427-P441 HydrophobicContact CG2-CG 4.19Å; A431-P441 HydrophobicContact CB-CG 3.56Å
442V95.4Very high87.6Confident0 Ų055.8 Ų55.80%027%0.271CS..EExtended strand (participates in β ladder)trans-114.9123.3174.1178.60000108.2Y322 I324 Q347 V348 H349 R440 I444 W544 L547 L551Y322-V442 CarbonylContact O-C 3.5Å; Y322-V442 WeakPolarHBondContact O-CA 3.18Å; I324-V442 HydrophobicContact CD1-CG1 3.77Å; I324-V442 HydrophobicContact CG1-CG1 4.35Å; Q347-V442 HydrophobicContact CG-CG2 4.13Å; Q347-V442 PolarHBondContact O-N 3.13Å; V348-V442 CarbonylContact C-O 3.59Å; V348-V442 WeakPolarHBondContact CA-O 3.18Å; H349-V442 PolarHBondContact N-O 3.18Å; R440-V442 PolarHBondContact O-N 3.17Å; V442-I444 HydrophobicContact CG1-CD1 4.2Å; V442-W544 HydrophobicContact CB-CH2 4.46Å; V442-W544 HydrophobicContact CB-CZ3 4.23Å; V442-W544 HydrophobicContact CG1-CZ3 4.22Å; V442-W544 HydrophobicContact CG2-CH2 4.05Å; V442-W544 HydrophobicContact CG2-CZ3 3.98Å; V442-L547 HydrophobicContact CG1-CD2 4.08Å; V442-L547 HydrophobicContact CG2-CD2 4.41Å; V442-L551 HydrophobicContact CG2-CD1 3.79Å
443I97.4Very high88.2Confident0 Ų052.4 Ų52.40%026%0.255CS..EExtended strand (participates in β ladder)trans-113.6120-176.8-58179000109.7P321 Y322 L323 I324 H349 I351 V424 I427 I445P321-I443 HydrophobicContact CB-CD1 3.46Å; P321-I443 VanDerWaalsContact CB-CD1 3.46Å; P321-I443 HydrophobicContact CB-CG1 3.95Å; P321-I443 HydrophobicContact CG-CD1 3.96Å; Y322-I443 PolarHBondContact O-N 3.33Å; L323-I443 HydrophobicContact CD2-CB 3.74Å; L323-I443 HydrophobicContact CD2-CD1 3.9Å; L323-I443 HydrophobicContact CD2-CG1 4.21Å; L323-I443 HydrophobicContact CD2-CG2 4.26Å; I324-I443 PolarHBondContact N-O 2.84Å; H349-I443 HydrophobicContact CB-CG1 4.34Å; H349-I443 CarbonylContact O-C 3.57Å; H349-I443 WeakPolarHBondContact O-CA 3.42Å; I351-I443 HydrophobicContact CD1-CG2 3.5Å; I351-I443 VanDerWaalsContact CD1-CG2 3.5Å; I351-I443 HydrophobicContact CG1-CG2 3.8Å; V424-I443 HydrophobicContact CB-CD1 4.19Å; V424-I443 HydrophobicContact CG1-CD1 4.17Å; V424-I443 HydrophobicContact CG2-CD1 3.87Å; I427-I443 HydrophobicContact CB-CD1 4.15Å; I427-I443 HydrophobicContact CD1-CD1 3.64Å; I427-I443 HydrophobicContact CD1-CG1 4.03Å; I427-I443 HydrophobicContact CG2-CD1 4.07Å; I427-I443 HydrophobicContact CG2-CG1 4.43Å; I443-I445 HydrophobicContact CG2-CG1 4.27Å
444I98.3Very high88.7Confident2 Ų253 Ų531%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-92.5114172.8-48.7-54.7000108.9I324 L326 L341 V348 H349 V350 I351 V442 D446I324-I444 HydrophobicContact CB-CD1 3.8Å; I324-I444 HydrophobicContact CD1-CD1 3.87Å; I324-I444 HydrophobicContact CG1-CD1 4.27Å; I324-I444 HydrophobicContact CG2-CD1 4.15Å; I324-I444 CarbonylContact O-C 3.47Å; I324-I444 WeakPolarHBondContact O-CA 3.47Å; L326-I444 HydrophobicContact CB-CG2 3.81Å; L326-I444 HydrophobicContact CD2-CG2 4.09Å; L341-I444 HydrophobicContact CB-CG1 4.34Å; L341-I444 HydrophobicContact CD1-CD1 4.31Å; L341-I444 HydrophobicContact CD1-CG1 4.34Å; L341-I444 HydrophobicContact CD1-CG2 4.48Å; V348-I444 HydrophobicContact CG1-CD1 4.4Å; V348-I444 HydrophobicContact CG1-CG1 3.77Å; H349-I444 PolarHBondContact O-N 2.88Å; V350-I444 HydrophobicContact CG2-CB 4.35Å; I351-I444 PolarHBondContact N-O 2.95Å; V442-I444 HydrophobicContact CG1-CD1 4.2Å; I444-D446 PolarHBondContact O-N 3.22Å
445I98.2Very high89.7Confident0 Ų048.3 Ų48.30%023%0.229CC..EExtended strand (participates in β ladder)trans-9295.5175.3-58.3174.5000107.7I324 L326 C353 I420 I443 A447 L450 M458I324-I445 PolarHBondContact O-N 3.33Å; L326-I445 PolarHBondContact N-O 3.17Å; C353-I445 WeakPolarHBondContact SG-CG2 3.27Å; I420-I445 HydrophobicContact CD1-CG2 4.29Å; I420-I445 HydrophobicContact CG2-CD1 4.02Å; I420-I445 HydrophobicContact CG2-CG1 4.45Å; I443-I445 HydrophobicContact CG2-CG1 4.27Å; I445-A447 HydrophobicContact CG2-CB 4.35Å; I445-A447 PolarHBondContact O-N 3.16Å; I445-L450 HydrophobicContact CG2-CD1 4.33Å; I445-M458 HydrophobicContact CD1-CE 3.82Å
446D97.9Very high91.2Very high4 Ų440.8 Ų40.82%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-78.9100.6177.8-177.512.6000109.9K334 S335 A338 I351 C353 I444K334-D446 WeakPolarHBondContact CD-OD1 3.29Å; K334-D446 WeakPolarHBondContact CE-OD1 3.16Å; K334-D446 VanDerWaalsContact CG-OD1 3.3Å; K334-D446 WeakPolarHBondContact CG-OD1 3.45Å; K334-D446 IonicContact NZ-OD1 2.76Å; K334-D446 PolarHBondContact NZ-OD1 2.79Å; K334-D446 IonicContact NZ-OD2 3.84Å; S335-D446 WeakPolarHBondContact CA-OD2 3.37Å; S335-D446 WeakPolarHBondContact CB-OD2 3.5Å; S335-D446 PolarHBondContact OG-OD2 3.21Å; A338-D446 HydrophobicContact CB-CB 4.24Å; I351-D446 PolarHBondContact O-N 3.02Å; C353-D446 WeakPolarHBondContact CB-O 3.44Å; C353-D446 PolarHBondContact N-O 3.17Å; C353-D446 PolarHBondContact SG-O 2.87Å; C353-D446 VanDerWaalsContact SG-O 3.41Å; I444-D446 PolarHBondContact O-N 3.22Å
447A96.7Very high92.4Very high0 Ų036.6 Ų36.60%018%0.178CC..  trans-140.9117.8-174.500000112.8L326 T327 C353 I445 V449 L450 W455L326-A447 PolarHBondContact O-N 2.93Å; T327-A447 WeakPolarHBondContact CB-O 3.3Å; T327-A447 PolarHBondContact OG1-O 3.46Å; C353-A447 HydrophobicContact CB-CB 3.92Å; I445-A447 HydrophobicContact CG2-CB 4.35Å; I445-A447 PolarHBondContact O-N 3.16Å; A447-V449 PolarHBondContact O-N 3.04Å; A447-L450 HydrophobicContact CB-CB 4.1Å; A447-L450 HydrophobicContact CB-CD1 4.14Å; A447-L450 PolarHBondContact O-N 3.31Å; A447-W455 HydrophobicContact CB-CE3 3.83Å; A447-W455 HydrophobicContact CB-CZ3 3.85Å
448A93.5Very high93.7Very high29 Ų2931.7 Ų31.724%0.2415%0.151CC..THydrogen-bonded Turntrans-67.5-23.7174.600000113.6
449V94.5Very high95Very high44 Ų4431.1 Ų31.127%0.26715%0.148SC..THydrogen-bonded Turntrans-103.516.5-178.7-62.20000113.1W413 A447 L451 Q452 A453 W455W413-V449 HydrophobicContact CZ2-CB 4.14Å; W413-V449 HydrophobicContact CZ2-CG1 4.27Å; A447-V449 PolarHBondContact O-N 3.04Å; V449-L451 VanDerWaalsContact C-N 3.3Å; V449-L451 PolarHBondContact O-N 2.7Å; V449-Q452 VanDerWaalsContact C-OE1 3.22Å; V449-Q452 VanDerWaalsContact CA-OE1 3.3Å; V449-Q452 PolarHBondContact O-N 3.32Å; V449-Q452 PolarHBondContact O-OE1 3.5Å; V449-A453 HydrophobicContact CG2-CB 4.37Å; V449-A453 VanDerWaalsContact O-CB 3.29Å; V449-A453 WeakPolarHBondContact O-CB 3.48Å; V449-A453 PolarHBondContact O-N 3.48Å; V449-W455 HydrophobicContact CG2-CE3 4.44Å; V449-W455 HydrophobicContact CG2-CH2 3.78Å; V449-W455 HydrophobicContact CG2-CZ3 3.68Å
450L97.3Very high95.6Very high0 Ų024.8 Ų24.80%012%0.12CC..THydrogen-bonded Turntrans-50.3-46.4-172.8-171.882.5000113.4T327 I445 A447 R454 W455 N456 V462T327-L450 HydrophobicContact CG2-CB 4.39Å; T327-L450 HydrophobicContact CG2-CD2 3.94Å; I445-L450 HydrophobicContact CG2-CD1 4.33Å; A447-L450 HydrophobicContact CB-CB 4.1Å; A447-L450 HydrophobicContact CB-CD1 4.14Å; A447-L450 PolarHBondContact O-N 3.31Å; L450-R454 PolarHBondContact O-N 3.45Å; L450-W455 HydrophobicContact CD1-CB 3.81Å; L450-W455 HydrophobicContact CG-CB 4.45Å; L450-W455 PolarHBondContact O-N 2.92Å; L450-N456 HydrophobicContact CD2-CB 4.16Å; L450-N456 HydrophobicContact CG-CB 4.2Å; L450-N456 PolarHBondContact O-N 3Å; L450-N456 PolarHBondContact O-OD1 2.82Å; L450-V462 HydrophobicContact CD2-CG1 3.94Å; L450-V462 HydrophobicContact CD2-CG2 4.47Å
451L96.7Very high96.1Very high6 Ų624 Ų243%0.03112%0.117CC..THydrogen-bonded Turntrans-77.7-42.1-176.9-58.7-177.2000111.3T327 V449 A453 R454 N456 V498 V501 T502 W507 P519 Y522T327-L451 HydrophobicContact CG2-CG 4.37Å; V449-L451 VanDerWaalsContact C-N 3.3Å; V449-L451 PolarHBondContact O-N 2.7Å; L451-A453 VanDerWaalsContact C-N 3.31Å; L451-A453 PolarHBondContact O-N 3.01Å; L451-R454 PolarHBondContact O-N 2.87Å; L451-R454 VanDerWaalsContact O-N 3.1Å; L451-N456 HydrophobicContact CD2-CB 3.94Å; L451-V498 HydrophobicContact CD1-CG2 4.25Å; L451-V501 HydrophobicContact CB-CG2 4.23Å; L451-T502 HydrophobicContact CD1-CG2 3.98Å; L451-W507 HydrophobicContact CD1-CH2 4Å; L451-W507 HydrophobicContact CD1-CZ3 4.33Å; L451-P519 HydrophobicContact CD1-CB 4.39Å; L451-Y522 HydrophobicContact CD1-CD2 4.3Å; L451-Y522 HydrophobicContact CD1-CG 4.41Å; L451-Y522 HydrophobicContact CD2-CD1 4.15Å; L451-Y522 HydrophobicContact CD2-CG 3.96Å
452Q95.7Very high96.3Very high29 Ų2923.8 Ų23.814%0.13612%0.116CC..THydrogen-bonded Turntrans-64-39.4-179.1-5891.8-42.600111.4W413 V449 R454 A497 V501W413-Q452 HydrophobicContact CH2-CB 3.86Å; W413-Q452 HydrophobicContact CZ2-CB 4.43Å; V449-Q452 VanDerWaalsContact C-OE1 3.22Å; V449-Q452 VanDerWaalsContact CA-OE1 3.3Å; V449-Q452 PolarHBondContact O-N 3.32Å; V449-Q452 PolarHBondContact O-OE1 3.5Å; Q452-R454 VanDerWaalsContact C-N 3.3Å; Q452-A497 WeakPolarHBondContact CG-O 3.34Å; Q452-V501 HydrophobicContact CG-CG2 4.12Å
453A96.2Very high96.5Very high15 Ų1523.9 Ų23.912%0.12412%0.116CC..THydrogen-bonded Turntrans-86.51.1176.800000113.4W413 V449 L451 W455W413-A453 HydrophobicContact CD2-CB 3.72Å; W413-A453 HydrophobicContact CE3-CB 3.68Å; W413-A453 HydrophobicContact CG-CB 4.18Å; W413-A453 HydrophobicContact CH2-CB 4.45Å; W413-A453 HydrophobicContact CZ2-CB 4.49Å; W413-A453 HydrophobicContact CZ3-CB 4.06Å; V449-A453 HydrophobicContact CG2-CB 4.37Å; V449-A453 VanDerWaalsContact O-CB 3.29Å; V449-A453 WeakPolarHBondContact O-CB 3.48Å; V449-A453 PolarHBondContact O-N 3.48Å; L451-A453 VanDerWaalsContact C-N 3.31Å; L451-A453 PolarHBondContact O-N 3.01Å; A453-W455 HydrophobicContact CB-CD2 3.71Å; A453-W455 VanDerWaalsContact CB-CE2 3.4Å; A453-W455 HydrophobicContact CB-CE3 4.31Å; A453-W455 HydrophobicContact CB-CG 4Å; A453-W455 HydrophobicContact CB-CH2 4.34Å; A453-W455 HydrophobicContact CB-CZ2 3.76Å; A453-W455 PolarHBondContact O-N 2.78Å; A453-W455 VanDerWaalsContact O-N 3.15Å
454R95.7Very high96.5Very high164 Ų16424 Ų2462%0.61912%0.116SC*.THydrogen-bonded Turntrans57.521.2-178.6-58.3-174.1178.3-171.90.2115.2L450 L451 Q452 N456 E457L450-R454 PolarHBondContact O-N 3.45Å; L451-R454 PolarHBondContact O-N 2.87Å; L451-R454 VanDerWaalsContact O-N 3.1Å; Q452-R454 VanDerWaalsContact C-N 3.3Å; R454-N456 WeakPolarHBondContact CA-OD1 3.38Å; R454-N456 PolarHBondContact O-N 2.86Å; R454-E457 HydrophobicContact CB-CG 4.41Å; R454-E457 WeakPolarHBondContact O-CB 3.4Å; R454-E457 PolarHBondContact O-N 2.95Å; R454-E457 VanDerWaalsContact O-N 3.15Å
455W97.2Very high96.4Very high9 Ų923.9 Ų23.93%0.03412%0.116CC..G310 helixtrans-68.8-15.7176.8-63-15000112.6C353 W413 I416 I420 A447 V449 L450 A453 E457 M458 C459C353-W455 HydrophobicContact CB-CZ3 4.24Å; W413-W455 HydrophobicContact CB-CZ2 4.02Å; W413-W455 HydrophobicContact CG-CZ2 4.14Å; I416-W455 HydrophobicContact CB-CH2 4Å; I416-W455 HydrophobicContact CB-CZ2 4.03Å; I416-W455 HydrophobicContact CD1-CH2 4.16Å; I416-W455 HydrophobicContact CG2-CH2 3.53Å; I416-W455 HydrophobicContact CG2-CZ2 3.93Å; I416-W455 HydrophobicContact CG2-CZ3 4.19Å; I420-W455 HydrophobicContact CD1-CD2 4.38Å; I420-W455 HydrophobicContact CD1-CE3 4.19Å; I420-W455 HydrophobicContact CD1-CZ3 4.35Å; A447-W455 HydrophobicContact CB-CE3 3.83Å; A447-W455 HydrophobicContact CB-CZ3 3.85Å; V449-W455 HydrophobicContact CG2-CE3 4.44Å; V449-W455 HydrophobicContact CG2-CH2 3.78Å; V449-W455 HydrophobicContact CG2-CZ3 3.68Å; L450-W455 HydrophobicContact CD1-CB 3.81Å; L450-W455 HydrophobicContact CG-CB 4.45Å; L450-W455 PolarHBondContact O-N 2.92Å; A453-W455 HydrophobicContact CB-CD2 3.71Å; A453-W455 VanDerWaalsContact CB-CE2 3.4Å; A453-W455 HydrophobicContact CB-CE3 4.31Å; A453-W455 HydrophobicContact CB-CG 4Å; A453-W455 HydrophobicContact CB-CH2 4.34Å; A453-W455 HydrophobicContact CB-CZ2 3.76Å; A453-W455 PolarHBondContact O-N 2.78Å; A453-W455 VanDerWaalsContact O-N 3.15Å; W455-E457 PolarHBondContact O-N 3.09Å; W455-M458 HydrophobicContact CB-CE 3.76Å; W455-M458 HydrophobicContact CG-CE 4.13Å; W455-M458 WeakPolarHBondContact O-CG 3.25Å; W455-M458 PolarHBondContact O-N 3.38Å; W455-C459 PolarHBondContact O-SG 3.2Å
456N96.1Very high96.3Very high16 Ų1624.1 Ų24.19%0.08612%0.117CC..G310 helixtrans-61.2-25.2170.160.3-74.2000113.4L450 L451 R454 M458 C459 V462L450-N456 HydrophobicContact CD2-CB 4.16Å; L450-N456 HydrophobicContact CG-CB 4.2Å; L450-N456 PolarHBondContact O-N 3Å; L450-N456 PolarHBondContact O-OD1 2.82Å; L451-N456 HydrophobicContact CD2-CB 3.94Å; R454-N456 WeakPolarHBondContact CA-OD1 3.38Å; R454-N456 PolarHBondContact O-N 2.86Å; N456-M458 VanDerWaalsContact C-N 3.26Å; N456-M458 PolarHBondContact O-N 3.25Å; N456-C459 PolarHBondContact O-N 3.36Å; N456-C459 VanDerWaalsContact O-N 3.09Å; N456-V462 HydrophobicContact CB-CG2 3.71Å
457E94.2Very high96.1Very high128 Ų12824.3 Ų24.360%0.59812%0.118SC*.G310 helixtrans-67.7-26.2-178.5-64.6177.6-175.500112.7R454 W455R454-E457 HydrophobicContact CB-CG 4.41Å; R454-E457 WeakPolarHBondContact O-CB 3.4Å; R454-E457 PolarHBondContact O-N 2.95Å; R454-E457 VanDerWaalsContact O-N 3.15Å; W455-E457 PolarHBondContact O-N 3.09Å
458M94.3Very high95.8Very high39 Ų3926.6 Ų26.619%0.19213%0.134CC..G310 helixtrans-89.9-0.8173.162.3166.1177.900113.6I312 L323 L417 I420 L421 I445 W455 N456I312-M458 WeakPolarHBondContact CD1-O 3.41Å; L323-M458 WeakPolarHBondContact CD1-O 3.48Å; L417-M458 HydrophobicContact CD1-CE 3.65Å; L417-M458 HydrophobicContact CD1-SD 3.73Å; I420-M458 HydrophobicContact CD1-CE 4.44Å; I420-M458 HydrophobicContact CG2-CE 4.07Å; L421-M458 HydrophobicContact CD2-SD 4.23Å; I445-M458 HydrophobicContact CD1-CE 3.82Å; W455-M458 HydrophobicContact CB-CE 3.76Å; W455-M458 HydrophobicContact CG-CE 4.13Å; W455-M458 WeakPolarHBondContact O-CG 3.25Å; W455-M458 PolarHBondContact O-N 3.38Å; N456-M458 VanDerWaalsContact C-N 3.26Å; N456-M458 PolarHBondContact O-N 3.25Å
459C96.4Very high95.7Very high0 Ų029 Ų290%014%0.14CC..  trans-97.3135.2-177.5-60.30000111.2N310 I312 W455 N456 E461N310-C459 PolarHBondContact ND2-O 3.07Å; I312-C459 WeakPolarHBondContact CD1-O 3.49Å; W455-C459 PolarHBondContact O-SG 3.2Å; N456-C459 PolarHBondContact O-N 3.36Å; N456-C459 VanDerWaalsContact O-N 3.09Å; C459-E461 VanDerWaalsContact C-N 3.28Å; C459-E461 VanDerWaalsContact CB-O 3.31Å; C459-E461 WeakPolarHBondContact CB-O 3.28Å
460H95.8Very high95.5Very high13 Ų1330.1 Ų30.16%0.0616%0.155CC..SBendtrans-66.4-37.8174.1-60.679.8000110.1N310 P321 Y322 L323 R440N310-H460 PolarHBondContact N-O 3.22Å; P321-H460 PolarHBondContact O-CE1 3.27Å; Y322-H460 HydrophobicContact CD1-CB 4.26Å; Y322-H460 HydrophobicContact CD2-CB 4.25Å; Y322-H460 AromaticContact CD2-CD2 3.97Å; Y322-H460 AromaticContact CD2-CG 3.93Å; Y322-H460 HydrophobicContact CE1-CB 3.69Å; Y322-H460 HydrophobicContact CE2-CB 3.7Å; Y322-H460 AromaticContact CE2-CD2 3.78Å; Y322-H460 AromaticContact CE2-CG 3.76Å; Y322-H460 AromaticContact CZ-CG 3.97Å; L323-H460 PolarHBondContact N-ND1 3.03Å; L323-H460 WeakPolarHBondContact O-CB 3.44Å; L323-H460 PolarHBondContact O-N 3.11Å; R440-H460 PolarHBondContact NH2-NE2 3.04Å
461E97.1Very high95.3Very high0 Ų031.4 Ų31.40%016%0.161CC..EExtended strand (participates in β ladder)trans-132.1152.9175.1-68.7-177.7-151.300111.3V309 Y322 L323 I324 G325 C459 W463 H524 R550V309-E461 HydrophobicContact CB-CG 4.15Å; V309-E461 HydrophobicContact CG1-CG 3.6Å; V309-E461 WeakPolarHBondContact CG1-OE1 3.23Å; Y322-E461 HydrophobicContact CE1-CG 4.17Å; Y322-E461 WeakPolarHBondContact OH-CG 3.43Å; Y322-E461 PolarHBondContact OH-OE1 2.97Å; L323-E461 PolarHBondContact O-N 3.34Å; I324-E461 CarbonylContact C-O 3.54Å; I324-E461 WeakPolarHBondContact CA-O 3.48Å; I324-E461 HydrophobicContact CG1-CB 4.37Å; I324-E461 HydrophobicContact CG2-CB 4.45Å; G325-E461 PolarHBondContact N-O 3.41Å; C459-E461 VanDerWaalsContact C-N 3.28Å; C459-E461 VanDerWaalsContact CB-O 3.31Å; C459-E461 WeakPolarHBondContact CB-O 3.28Å; E461-W463 PolarHBondContact OE2-NE1 3.37Å; E461-H524 HydrophobicContact CB-CB 4.07Å; E461-H524 HydrophobicContact CG-CB 4.16Å; E461-R550 IonicContact OE1-CZ 3.16Å; E461-R550 IonicContact OE1-NE 3.55Å; E461-R550 PolarHBondContact OE1-NE 2.9Å; E461-R550 IonicContact OE1-NH2 3.55Å; E461-R550 PolarHBondContact OE1-NH2 2.92Å; E461-R550 IonicContact OE2-NH2 3.47Å; E461-R550 PolarHBondContact OE2-NH2 3.22Å
462V98.1Very high95.1Very high2 Ų231.1 Ų31.11%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-117.5118.5171.2177.40000106.9G325 T327 L450 N456 Y522 H524 V525G325-V462 CarbonylContact O-C 3.54Å; G325-V462 WeakPolarHBondContact O-CA 3.17Å; T327-V462 HydrophobicContact CG2-CG1 4.16Å; L450-V462 HydrophobicContact CD2-CG1 3.94Å; L450-V462 HydrophobicContact CD2-CG2 4.47Å; N456-V462 HydrophobicContact CB-CG2 3.71Å; V462-Y522 WeakPolarHBondContact CB-O 3.28Å; V462-H524 PolarHBondContact N-ND1 3.04Å; V462-H524 PolarHBondContact O-N 3.33Å; V462-V525 PolarHBondContact O-N 3.42Å
463W98.5Very high95.1Very high1 Ų132 Ų320%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-102.9124.5176.4-7123.8000108.1I324 G325 L326 T327 L341 E461 V525 L527I324-W463 HydrophobicContact CD1-CZ2 3.93Å; I324-W463 HydrophobicContact CG2-CB 4.08Å; I324-W463 HydrophobicContact CG2-CD2 3.75Å; I324-W463 HydrophobicContact CG2-CG 3.47Å; I324-W463 VanDerWaalsContact CG2-CG 3.47Å; G325-W463 PolarHBondContact O-N 3.31Å; L326-W463 CarbonylContact C-O 3.58Å; L326-W463 WeakPolarHBondContact CA-O 3.29Å; L326-W463 HydrophobicContact CD1-CB 3.81Å; T327-W463 PolarHBondContact N-O 3.49Å; L341-W463 HydrophobicContact CD1-CE3 3.96Å; L341-W463 HydrophobicContact CD1-CZ3 3.73Å; L341-W463 HydrophobicContact CD2-CH2 4.01Å; L341-W463 HydrophobicContact CD2-CZ3 3.54Å; L341-W463 HydrophobicContact CG-CZ3 4.26Å; E461-W463 PolarHBondContact OE2-NE1 3.37Å; W463-V525 WeakPolarHBondContact CA-O 3.36Å; W463-V525 HydrophobicContact CD2-CB 4.03Å; W463-V525 HydrophobicContact CD2-CG1 4.27Å; W463-V525 HydrophobicContact CD2-CG2 4.41Å; W463-V525 HydrophobicContact CG-CB 3.87Å; W463-V525 HydrophobicContact CG-CG1 4.5Å; W463-V525 HydrophobicContact CG-CG2 4.45Å; W463-V525 HydrophobicContact CZ2-CG2 4.34Å; W463-L527 HydrophobicContact CE3-CD1 3.79Å; W463-L527 HydrophobicContact CZ3-CD1 4.27Å
464L97.9Very high95Very high2 Ų235.3 Ų35.31%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-115.2131.3-173.6-172.9154000110.5T327 V466 W507 P519 I520 A523 V525 I526 L527T327-L464 HydrophobicContact CG2-CG 4.49Å; T327-L464 CarbonylContact O-C 3.53Å; T327-L464 WeakPolarHBondContact O-CA 3.47Å; L464-V466 HydrophobicContact CD2-CG1 3.33Å; L464-W507 HydrophobicContact CD1-CE3 4.31Å; L464-W507 HydrophobicContact CD1-CZ3 3.74Å; L464-W507 HydrophobicContact CG-CZ3 4.17Å; L464-P519 HydrophobicContact CD1-CB 3.91Å; L464-P519 WeakPolarHBondContact CD1-O 3.29Å; L464-I520 HydrophobicContact CD2-CD1 3.92Å; L464-A523 HydrophobicContact CB-CB 3.6Å; L464-A523 HydrophobicContact CD1-CB 4.24Å; L464-V525 PolarHBondContact N-O 3.37Å; L464-I526 WeakPolarHBondContact O-CA 3.39Å; L464-L527 PolarHBondContact O-N 3.04Å
465T97.1Very high94.9Very high0 Ų030.1 Ų30.10%015%0.153CC..EExtended strand (participates in β ladder)trans-93.9126174.559.30000110.5L326 T327 G328 P329 S332 K334 L337 L527L326-T465 HydrophobicContact CD1-CG2 3.97Å; T327-T465 PolarHBondContact O-N 3.34Å; T327-T465 PolarHBondContact O-OG1 3.47Å; G328-T465 WeakPolarHBondContact CA-OG1 3.18Å; P329-T465 WeakPolarHBondContact CD-O 3.39Å; S332-T465 WeakPolarHBondContact CB-OG1 3.3Å; S332-T465 PolarHBondContact OG-OG1 2.67Å; K334-T465 HydrophobicContact CB-CG2 4.25Å; K334-T465 HydrophobicContact CG-CG2 4.23Å; L337-T465 HydrophobicContact CD1-CG2 3.42Å; L337-T465 VanDerWaalsContact CD1-CG2 3.42Å; T465-L527 CarbonylContact C-O 3.48Å; T465-L527 VanDerWaalsContact CA-O 3.27Å; T465-L527 WeakPolarHBondContact CA-O 3.3Å
466V95Very high94.6Very high5 Ų529.7 Ų29.73%0.0315%0.151CC..EExtended strand (participates in β ladder)trans-107.9147.5176.3-64.10000111.2L189 L192 L464 I520 I526 L527 S528L189-V466 HydrophobicContact CD2-CG2 3.78Å; L192-V466 HydrophobicContact CD1-CB 4.42Å; L192-V466 HydrophobicContact CD1-CG1 3.87Å; L192-V466 HydrophobicContact CD1-CG2 4.08Å; L464-V466 HydrophobicContact CD2-CG1 3.33Å; V466-I520 HydrophobicContact CG1-CD1 3.74Å; V466-I526 HydrophobicContact CB-CG2 4.43Å; V466-I526 HydrophobicContact CG1-CG2 3.79Å; V466-I526 HydrophobicContact CG2-CG2 3.8Å; V466-L527 PolarHBondContact N-O 3.38Å; V466-S528 PolarHBondContact O-OG 3.24Å
467L93.3Very high94.5Very high8 Ų830.1 Ų30.14%0.04216%0.156CC..  trans-158.2148.2175.9-167.266000108.8G331 E471 A472 F508 E530G331-L467 WeakPolarHBondContact O-CD2 3.46Å; L467-E471 HydrophobicContact CD1-CB 4.14Å; L467-E471 HydrophobicContact CD1-CG 3.63Å; L467-E471 HydrophobicContact CD2-CB 4.28Å; L467-E471 HydrophobicContact CD2-CG 3.96Å; L467-E471 HydrophobicContact CG-CB 4.03Å; L467-E471 HydrophobicContact CG-CG 3.93Å; L467-A472 HydrophobicContact CD2-CB 3.93Å; L467-F508 WeakPolarHBondContact O-CD1 2.92Å; L467-E530 HydrophobicContact CD1-CB 3.9Å; L467-E530 HydrophobicContact CD1-CG 4.28Å
468S90.5Very high94.5Very high48 Ų4829.6 Ų29.634%0.33615%0.153SC..  trans-64.3148.5171.264.50000111.2A470 E471 A472 E530S468-A470 VanDerWaalsContact C-N 3.3Å; S468-A470 PolarHBondContact O-N 2.86Å; S468-E471 PolarHBondContact O-N 2.78Å; S468-E471 VanDerWaalsContact OG-CB 3.23Å; S468-E471 WeakPolarHBondContact OG-CB 3.18Å; S468-E471 PolarHBondContact OG-N 3.33Å; S468-A472 WeakPolarHBondContact O-CB 3.38Å; S468-A472 PolarHBondContact O-N 2.82Å; S468-E530 PolarHBondContact OG-OE1 3.02Å
469Q91.6Very high94.3Very high79 Ų7935 Ų3537%0.36917%0.171SC..Hα-helixtrans-61-40.8-179.1-172.9178.512.900111.9E471 A472 Q473 L491 F508Q469-E471 PolarHBondContact O-N 3.3Å; Q469-A472 PolarHBondContact O-N 2.77Å; Q469-Q473 WeakPolarHBondContact O-CB 3.37Å; Q469-Q473 PolarHBondContact O-N 3.43Å; Q469-L491 HydrophobicContact CG-CD1 4.37Å; Q469-F508 HydrophobicContact CB-CB 4.24Å; Q469-F508 HydrophobicContact CB-CD1 3.82Å; Q469-F508 HydrophobicContact CB-CD2 4.22Å; Q469-F508 HydrophobicContact CB-CE1 4.2Å; Q469-F508 HydrophobicContact CB-CG 3.83Å; Q469-F508 HydrophobicContact CG-CD1 4.47Å; Q469-F508 HydrophobicContact CG-CD2 4.09Å; Q469-F508 HydrophobicContact CG-CE2 4.21Å; Q469-F508 HydrophobicContact CG-CG 4.22Å; Q469-F508 HydrophobicContact CG-CZ 4.46Å
470A91Very high93.9Very high69 Ų6938.2 Ų38.257%0.5719%0.188SC*.Hα-helixtrans-60.7-44.4177.600000111.8S468 Q473 R474S468-A470 VanDerWaalsContact C-N 3.3Å; S468-A470 PolarHBondContact O-N 2.86Å; A470-Q473 PolarHBondContact O-N 3.47Å; A470-R474 PolarHBondContact O-N 3.27Å
471E91.9Very high93.6Very high27 Ų2744.8 Ų44.813%0.12622%0.224CC..Hα-helixtrans-71.5-36.1178.5-178.758-165.700111.9L467 S468 Q469 Q473 R474 R475L467-E471 HydrophobicContact CD1-CB 4.14Å; L467-E471 HydrophobicContact CD1-CG 3.63Å; L467-E471 HydrophobicContact CD2-CB 4.28Å; L467-E471 HydrophobicContact CD2-CG 3.96Å; L467-E471 HydrophobicContact CG-CB 4.03Å; L467-E471 HydrophobicContact CG-CG 3.93Å; S468-E471 PolarHBondContact O-N 2.78Å; S468-E471 VanDerWaalsContact OG-CB 3.23Å; S468-E471 WeakPolarHBondContact OG-CB 3.18Å; S468-E471 PolarHBondContact OG-N 3.33Å; Q469-E471 PolarHBondContact O-N 3.3Å; E471-Q473 VanDerWaalsContact C-N 3.33Å; E471-Q473 PolarHBondContact O-N 3.06Å; E471-R474 PolarHBondContact O-N 2.87Å; E471-R474 IonicContact OE1-CZ 3.07Å; E471-R474 IonicContact OE1-NE 3.6Å; E471-R474 IonicContact OE1-NH2 2.75Å; E471-R474 PolarHBondContact OE1-NH2 2.87Å; E471-R474 IonicContact OE2-CZ 2.82Å; E471-R474 IonicContact OE2-NE 2.66Å; E471-R474 PolarHBondContact OE2-NE 2.95Å; E471-R474 IonicContact OE2-NH2 2.6Å; E471-R474 PolarHBondContact OE2-NH2 2.82Å; E471-R475 WeakPolarHBondContact O-CB 3.4Å; E471-R475 VanDerWaalsContact O-CG 3.29Å; E471-R475 WeakPolarHBondContact O-CG 3.4Å; E471-R475 PolarHBondContact O-N 2.84Å; E471-R475 IonicContact OE1-CZ 3.95Å; E471-R475 IonicContact OE1-NE 3.28Å; E471-R475 PolarHBondContact OE1-NE 2.88Å; E471-R475 IonicContact OE1-NH2 3.65Å; E471-R475 PolarHBondContact OE1-NH2 3.49Å; E471-R475 VanDerWaalsContact OE1-NH2 3.16Å
472A93.5Very high93.2Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-61.1-43172.500000111.6L467 S468 Q469 L476 L491 F508L467-A472 HydrophobicContact CD2-CB 3.93Å; S468-A472 WeakPolarHBondContact O-CB 3.38Å; S468-A472 PolarHBondContact O-N 2.82Å; Q469-A472 PolarHBondContact O-N 2.77Å; A472-L476 WeakPolarHBondContact O-CB 3.26Å; A472-L476 WeakPolarHBondContact O-CG 3.46Å; A472-L476 PolarHBondContact O-N 2.96Å; A472-L476 VanDerWaalsContact O-N 3.08Å; A472-L491 HydrophobicContact CB-CD1 3.99Å; A472-L491 HydrophobicContact CB-CD2 4.22Å; A472-F508 HydrophobicContact CB-CE1 4.1Å; A472-F508 HydrophobicContact CB-CZ 4.18Å
473Q94.9Very high92.9Very high47 Ų4750.2 Ų50.222%0.2226%0.257CS..Hα-helixtrans-64-49.6177.2-173.4-173.4500110.9Q469 A470 E471 R475 L476 C477 P484 A487 L491Q469-Q473 WeakPolarHBondContact O-CB 3.37Å; Q469-Q473 PolarHBondContact O-N 3.43Å; A470-Q473 PolarHBondContact O-N 3.47Å; E471-Q473 VanDerWaalsContact C-N 3.33Å; E471-Q473 PolarHBondContact O-N 3.06Å; Q473-R475 VanDerWaalsContact C-N 3.35Å; Q473-R475 PolarHBondContact O-N 2.91Å; Q473-L476 WeakPolarHBondContact O-CB 3.38Å; Q473-L476 PolarHBondContact O-N 3.25Å; Q473-L476 VanDerWaalsContact O-N 3.11Å; Q473-C477 PolarHBondContact O-N 3.4Å; Q473-C477 PolarHBondContact O-SG 2.64Å; Q473-P484 PolarHBondContact NE2-O 3.09Å; Q473-A487 HydrophobicContact CG-CB 3.94Å; Q473-L491 HydrophobicContact CB-CD1 3.86Å
474R94.2Very high92.7Very high85 Ų8553.4 Ų53.432%0.32128%0.278SS..Hα-helixtrans-53.8-50.3177.6-172-170.67178.67.1111.7A470 E471 L476 C477 E478A470-R474 PolarHBondContact O-N 3.27Å; E471-R474 PolarHBondContact O-N 2.87Å; E471-R474 IonicContact OE1-CZ 3.07Å; E471-R474 IonicContact OE1-NE 3.6Å; E471-R474 IonicContact OE1-NH2 2.75Å; E471-R474 PolarHBondContact OE1-NH2 2.87Å; E471-R474 IonicContact OE2-CZ 2.82Å; E471-R474 IonicContact OE2-NE 2.66Å; E471-R474 PolarHBondContact OE2-NE 2.95Å; E471-R474 IonicContact OE2-NH2 2.6Å; E471-R474 PolarHBondContact OE2-NH2 2.82Å; R474-L476 VanDerWaalsContact C-N 3.29Å; R474-L476 PolarHBondContact O-N 3.28Å; R474-C477 WeakPolarHBondContact O-CB 3.38Å; R474-C477 PolarHBondContact O-N 2.94Å; R474-E478 IonicContact CZ-OE1 3.71Å; R474-E478 IonicContact CZ-OE2 3.49Å; R474-E478 IonicContact NH1-OE1 3.95Å; R474-E478 PolarHBondContact NH1-OE1 3.48Å; R474-E478 IonicContact NH1-OE2 2.71Å; R474-E478 PolarHBondContact NH1-OE2 2.85Å; R474-E478 PolarHBondContact O-N 3.42Å
475R94Very high92.5Very high54 Ų5459.6 Ų59.620%0.20431%0.307CS..Hα-helixtrans-63.3-34.1179.6-70.9176.8-174.4-163.5-0.4112.9G331 E471 Q473 R479 T529G331-R475 WeakPolarHBondContact O-CD 3.25Å; G331-R475 PolarHBondContact O-NH1 2.78Å; E471-R475 WeakPolarHBondContact O-CB 3.4Å; E471-R475 VanDerWaalsContact O-CG 3.29Å; E471-R475 WeakPolarHBondContact O-CG 3.4Å; E471-R475 PolarHBondContact O-N 2.84Å; E471-R475 IonicContact OE1-CZ 3.95Å; E471-R475 IonicContact OE1-NE 3.28Å; E471-R475 PolarHBondContact OE1-NE 2.88Å; E471-R475 IonicContact OE1-NH2 3.65Å; E471-R475 PolarHBondContact OE1-NH2 3.49Å; E471-R475 VanDerWaalsContact OE1-NH2 3.16Å; Q473-R475 VanDerWaalsContact C-N 3.35Å; Q473-R475 PolarHBondContact O-N 2.91Å; R475-R479 WeakPolarHBondContact O-CB 3.42Å; R475-R479 PolarHBondContact O-N 3.48Å; R475-T529 PolarHBondContact NH1-O 3.42Å; R475-T529 PolarHBondContact NH1-OG1 3.12Å; R475-T529 PolarHBondContact NH2-O 3.01Å
476L91.9Very high92.2Very high0 Ų061.2 Ų61.20%032%0.32CS..Hα-helixtrans-69.6-42.7175.5-81.9175.9000112.1A472 Q473 R474 E478 N480 A487 L491A472-L476 WeakPolarHBondContact O-CB 3.26Å; A472-L476 WeakPolarHBondContact O-CG 3.46Å; A472-L476 PolarHBondContact O-N 2.96Å; A472-L476 VanDerWaalsContact O-N 3.08Å; Q473-L476 WeakPolarHBondContact O-CB 3.38Å; Q473-L476 PolarHBondContact O-N 3.25Å; Q473-L476 VanDerWaalsContact O-N 3.11Å; R474-L476 VanDerWaalsContact C-N 3.29Å; R474-L476 PolarHBondContact O-N 3.28Å; L476-E478 VanDerWaalsContact C-N 3.35Å; L476-N480 WeakPolarHBondContact O-CB 3.39Å; L476-N480 PolarHBondContact O-N 3.11Å; L476-A487 HydrophobicContact CB-CB 4.07Å; L476-L491 HydrophobicContact CD1-CD1 4.22Å; L476-L491 HydrophobicContact CD1-CD2 3.54Å; L476-L491 HydrophobicContact CD1-CG 3.69Å
477C94.1Very high92Very high26 Ų2661 Ų6118%0.17632%0.319CS..Hα-helixtrans-57.3-49.8174.7-63.50000110.7Q473 R474 N481 L482 A487Q473-C477 PolarHBondContact O-N 3.4Å; Q473-C477 PolarHBondContact O-SG 2.64Å; R474-C477 WeakPolarHBondContact O-CB 3.38Å; R474-C477 PolarHBondContact O-N 2.94Å; C477-N481 WeakPolarHBondContact O-CA 3.43Å; C477-N481 PolarHBondContact O-N 3.27Å; C477-L482 PolarHBondContact O-N 3.38Å; C477-A487 WeakPolarHBondContact SG-CB 3.33Å
478E93.3Very high92Very high116 Ų11663.7 Ų63.754%0.54233%0.333SS..Hα-helixtrans-65.5-44.3-178.4-72.2172-17700113R474 L476R474-E478 IonicContact CZ-OE1 3.71Å; R474-E478 IonicContact CZ-OE2 3.49Å; R474-E478 IonicContact NH1-OE1 3.95Å; R474-E478 PolarHBondContact NH1-OE1 3.48Å; R474-E478 IonicContact NH1-OE2 2.71Å; R474-E478 PolarHBondContact NH1-OE2 2.85Å; R474-E478 PolarHBondContact O-N 3.42Å; L476-E478 VanDerWaalsContact C-N 3.35Å
479R89.8Confident92Very high153 Ų15366.1 Ų66.158%0.57734%0.339SS*.Hα-helixtrans-73-36.7-176.1-173.6-176.667.9169.3-0.1112.9R475R475-R479 WeakPolarHBondContact O-CB 3.42Å; R475-R479 PolarHBondContact O-N 3.48Å
480N88.2Confident91.9Very high67 Ų6766.6 Ų66.636%0.35834%0.338SS..Hα-helixtrans-110.42.6-170.3-7295.8000113.4L476 L482L476-N480 WeakPolarHBondContact O-CB 3.39Å; L476-N480 PolarHBondContact O-N 3.11Å; N480-L482 HydrophobicContact CB-CD1 3.75Å; N480-L482 HydrophobicContact CB-CG 3.67Å; N480-L482 PolarHBondContact O-N 2.81Å
481N90.1Very high92Very high152 Ų15263.4 Ų63.481%0.81331%0.311SS*.THydrogen-bonded Turntrans50.241.8-173.7-63.5-37.1000112.4C477C477-N481 WeakPolarHBondContact O-CA 3.43Å; C477-N481 PolarHBondContact O-N 3.27Å
482L87.8Confident91.9Very high61 Ų6165.4 Ų65.432%0.31933%0.325SS..  trans-91.4153.4179.5-64.4173.8000110.9C477 N480 A486 A487C477-L482 PolarHBondContact O-N 3.38Å; N480-L482 HydrophobicContact CB-CD1 3.75Å; N480-L482 HydrophobicContact CB-CG 3.67Å; N480-L482 PolarHBondContact O-N 2.81Å; L482-A486 HydrophobicContact CB-CB 4.42Å; L482-A487 HydrophobicContact CB-CB 4.45Å
483S93.1Very high91.6Very high54 Ų5470.3 Ų70.338%0.37834%0.343SS..  trans-66.6154.8165.790.70000110.6E485 A486 A487S483-E485 WeakPolarHBondContact CB-OE2 3.31Å; S483-E485 PolarHBondContact O-N 3.48Å; S483-E485 PolarHBondContact OG-N 3.29Å; S483-E485 PolarHBondContact OG-OE2 3.06Å; S483-A486 PolarHBondContact O-N 2.95Å; S483-A486 PolarHBondContact OG-N 3.16Å; S483-A487 PolarHBondContact O-N 2.99Å
484P93.5Very high91.3Very high68 Ų6870.6 Ų70.644%0.44234%0.344SS..Hα-helixtrans-52-40.4174.4-2735.7000113.2Q473 A487 L488Q473-P484 PolarHBondContact NE2-O 3.09Å; P484-A487 PolarHBondContact O-N 2.75Å; P484-L488 WeakPolarHBondContact O-CB 3.32Å; P484-L488 PolarHBondContact O-N 2.74Å
485E93.6Very high91.1Very high132 Ų13266.9 Ų66.962%0.61733%0.332SS*.Hα-helixtrans-68-45.8-178.8-56.768.8-146.200110.9S483 A487 L488 E489S483-E485 WeakPolarHBondContact CB-OE2 3.31Å; S483-E485 PolarHBondContact O-N 3.48Å; S483-E485 PolarHBondContact OG-N 3.29Å; S483-E485 PolarHBondContact OG-OE2 3.06Å; E485-A487 VanDerWaalsContact C-N 3.33Å; E485-A487 PolarHBondContact O-N 2.86Å; E485-L488 PolarHBondContact O-N 2.69Å; E485-E489 WeakPolarHBondContact O-CB 3.48Å; E485-E489 PolarHBondContact O-N 3.01Å
486A90.4Very high91Very high35 Ų3567.3 Ų67.329%0.28934%0.344SS..Hα-helixtrans-64.9-37.6177.400000112L482 S483 R490L482-A486 HydrophobicContact CB-CB 4.42Å; S483-A486 PolarHBondContact O-N 2.95Å; S483-A486 PolarHBondContact OG-N 3.16Å; A486-R490 WeakPolarHBondContact O-CB 3.29Å; A486-R490 PolarHBondContact O-N 3.05Å; A486-R490 VanDerWaalsContact O-N 3.14Å
487A92.2Very high90.9Very high0 Ų069 Ų690%036%0.357CS..Hα-helixtrans-65.2-43.6173.800000111.7Q473 L476 C477 L482 S483 P484 E485 R490 L491Q473-A487 HydrophobicContact CG-CB 3.94Å; L476-A487 HydrophobicContact CB-CB 4.07Å; C477-A487 WeakPolarHBondContact SG-CB 3.33Å; L482-A487 HydrophobicContact CB-CB 4.45Å; S483-A487 PolarHBondContact O-N 2.99Å; P484-A487 PolarHBondContact O-N 2.75Å; E485-A487 VanDerWaalsContact C-N 3.33Å; E485-A487 PolarHBondContact O-N 2.86Å; A487-R490 PolarHBondContact O-N 3.46Å; A487-L491 WeakPolarHBondContact O-CG 3.39Å; A487-L491 PolarHBondContact O-N 3.23Å; A487-L491 VanDerWaalsContact O-N 3.08Å
488L93.1Very high90.9Very high64 Ų6467.7 Ų67.734%0.33535%0.349SS..Hα-helixtrans-64.4-46.2177.5-17960.4000111.7P484 E485 R490 L491 V492P484-L488 WeakPolarHBondContact O-CB 3.32Å; P484-L488 PolarHBondContact O-N 2.74Å; E485-L488 PolarHBondContact O-N 2.69Å; L488-R490 VanDerWaalsContact C-N 3.26Å; L488-R490 PolarHBondContact O-N 3.48Å; L488-L491 WeakPolarHBondContact O-CB 3.32Å; L488-L491 PolarHBondContact O-N 3.27Å; L488-V492 HydrophobicContact CD1-CG2 4.23Å; L488-V492 HydrophobicContact CG-CG2 4.34Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 2.56Å
489E90.4Very high91Very high100 Ų10062.9 Ų62.947%0.46733%0.329SS..Hα-helixtrans-58.1-41.4178.2-166.3-164-16200111.2E485 V492 R493E485-E489 WeakPolarHBondContact O-CB 3.48Å; E485-E489 PolarHBondContact O-N 3.01Å; E489-V492 PolarHBondContact O-N 3.1Å; E489-R493 VanDerWaalsContact CD-CZ 3.42Å; E489-R493 WeakPolarHBondContact O-CG 3.03Å; E489-R493 PolarHBondContact O-N 3.11Å; E489-R493 IonicContact OE1-CZ 3.53Å; E489-R493 VanDerWaalsContact OE1-CZ 3.27Å; E489-R493 IonicContact OE1-NH1 2.69Å; E489-R493 PolarHBondContact OE1-NH1 3.47Å; E489-R493 IonicContact OE1-NH2 3.33Å; E489-R493 PolarHBondContact OE1-NH2 3.24Å; E489-R493 IonicContact OE2-CZ 2.67Å; E489-R493 IonicContact OE2-NH1 2.65Å; E489-R493 PolarHBondContact OE2-NH1 3.38Å; E489-R493 IonicContact OE2-NH2 3.39Å
490R88.9Confident91.2Very high89 Ų8963.6 Ų63.634%0.33634%0.338SS..Hα-helixtrans-61.5-43.4173.6-178.8176.1177.5166.33.3112.3A486 A487 L488 Q494A486-R490 WeakPolarHBondContact O-CB 3.29Å; A486-R490 PolarHBondContact O-N 3.05Å; A486-R490 VanDerWaalsContact O-N 3.14Å; A487-R490 PolarHBondContact O-N 3.46Å; L488-R490 VanDerWaalsContact C-N 3.26Å; L488-R490 PolarHBondContact O-N 3.48Å; R490-Q494 WeakPolarHBondContact O-CG 3.4Å; R490-Q494 PolarHBondContact O-N 3.18Å
491L92.2Very high91.5Very high1 Ų162.5 Ų62.51%0.00533%0.334CS..Hα-helixtrans-65.9-42.2177.5-71.7176.9000112Q469 A472 Q473 L476 A487 L488 Q494 A495 F508Q469-L491 HydrophobicContact CG-CD1 4.37Å; A472-L491 HydrophobicContact CB-CD1 3.99Å; A472-L491 HydrophobicContact CB-CD2 4.22Å; Q473-L491 HydrophobicContact CB-CD1 3.86Å; L476-L491 HydrophobicContact CD1-CD1 4.22Å; L476-L491 HydrophobicContact CD1-CD2 3.54Å; L476-L491 HydrophobicContact CD1-CG 3.69Å; A487-L491 WeakPolarHBondContact O-CG 3.39Å; A487-L491 PolarHBondContact O-N 3.23Å; A487-L491 VanDerWaalsContact O-N 3.08Å; L488-L491 WeakPolarHBondContact O-CB 3.32Å; L488-L491 PolarHBondContact O-N 3.27Å; L491-Q494 PolarHBondContact O-N 3.43Å; L491-A495 VanDerWaalsContact O-CB 3.22Å; L491-A495 WeakPolarHBondContact O-CB 3.35Å; L491-A495 PolarHBondContact O-N 3.15Å; L491-F508 HydrophobicContact CB-CE2 4.39Å; L491-F508 HydrophobicContact CD2-CE2 4.44Å; L491-F508 HydrophobicContact CD2-CZ 4.05Å
492V91.5Very high91.7Very high69 Ų6955.3 Ų55.342%0.41830%0.296SS..Hα-helixtrans-60.9-46.5177.5170.60000110.6L488 E489 Q494 A495 S496L488-V492 HydrophobicContact CD1-CG2 4.23Å; L488-V492 HydrophobicContact CG-CG2 4.34Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 2.56Å; E489-V492 PolarHBondContact O-N 3.1Å; V492-Q494 VanDerWaalsContact C-N 3.34Å; V492-Q494 PolarHBondContact O-N 2.8Å; V492-A495 WeakPolarHBondContact O-CB 3.23Å; V492-A495 PolarHBondContact O-N 2.9Å; V492-S496 PolarHBondContact O-N 2.94Å; V492-S496 PolarHBondContact O-OG 2.83Å
493R87.2Confident91.9Very high103 Ų10355.1 Ų55.139%0.38931%0.308SS..Hα-helixtrans-58.6-43.9175.8-73.2-177.7-179.61131.8112.6F399 E489 A495 S496 A497F399-R493 PolarHBondContact O-NE 3.31Å; E489-R493 VanDerWaalsContact CD-CZ 3.42Å; E489-R493 WeakPolarHBondContact O-CG 3.03Å; E489-R493 PolarHBondContact O-N 3.11Å; E489-R493 IonicContact OE1-CZ 3.53Å; E489-R493 VanDerWaalsContact OE1-CZ 3.27Å; E489-R493 IonicContact OE1-NH1 2.69Å; E489-R493 PolarHBondContact OE1-NH1 3.47Å; E489-R493 IonicContact OE1-NH2 3.33Å; E489-R493 PolarHBondContact OE1-NH2 3.24Å; E489-R493 IonicContact OE2-CZ 2.67Å; E489-R493 IonicContact OE2-NH1 2.65Å; E489-R493 PolarHBondContact OE2-NH1 3.38Å; E489-R493 IonicContact OE2-NH2 3.39Å; R493-A495 VanDerWaalsContact C-N 3.33Å; R493-S496 PolarHBondContact O-N 3.14Å; R493-A497 PolarHBondContact O-N 3.37Å
494Q88.1Confident91.9Very high53 Ų5354.8 Ų54.825%0.24831%0.314CS..Hα-helixtrans-68.7-33.7177.9-71.5-177.2-8.700112.8S330 R490 L491 V492 V498S330-Q494 VanDerWaalsContact CB-OE1 3.24Å; S330-Q494 PolarHBondContact OG-NE2 2.91Å; S330-Q494 PolarHBondContact OG-OE1 2.95Å; R490-Q494 WeakPolarHBondContact O-CG 3.4Å; R490-Q494 PolarHBondContact O-N 3.18Å; L491-Q494 PolarHBondContact O-N 3.43Å; V492-Q494 VanDerWaalsContact C-N 3.34Å; V492-Q494 PolarHBondContact O-N 2.8Å; Q494-V498 PolarHBondContact O-N 3.23Å
495A89.7Confident91.9Very high8 Ų854.5 Ų54.57%0.06630%0.304CS..Hα-helixtrans-64.7-46.5173.800000110.8L491 V492 R493 A497 V498 A499 T506L491-A495 VanDerWaalsContact O-CB 3.22Å; L491-A495 WeakPolarHBondContact O-CB 3.35Å; L491-A495 PolarHBondContact O-N 3.15Å; V492-A495 WeakPolarHBondContact O-CB 3.23Å; V492-A495 PolarHBondContact O-N 2.9Å; R493-A495 VanDerWaalsContact C-N 3.33Å; A495-A497 PolarHBondContact O-N 2.9Å; A495-V498 WeakPolarHBondContact O-CG1 3.33Å; A495-V498 PolarHBondContact O-N 3.43Å; A495-A499 WeakPolarHBondContact O-CB 3.31Å; A495-A499 PolarHBondContact O-N 2.96Å; A495-T506 HydrophobicContact CB-CG2 3.64Å
496S91.1Very high92Very high63 Ų6349.4 Ų49.444%0.44128%0.283SS..Hα-helixtrans-60-44.5175.1-58.60000112.1V492 R493 V498 A499 E500V492-S496 PolarHBondContact O-N 2.94Å; V492-S496 PolarHBondContact O-OG 2.83Å; R493-S496 PolarHBondContact O-N 3.14Å; S496-V498 VanDerWaalsContact C-N 3.34Å; S496-V498 PolarHBondContact O-N 3.13Å; S496-A499 PolarHBondContact O-N 2.94Å; S496-E500 PolarHBondContact O-N 3.04Å; S496-E500 VanDerWaalsContact O-N 3.16Å
497A91Very high92.1Very high34 Ų3448.2 Ų48.228%0.28127%0.271SS..Hα-helixtrans-64-35.4-179.200000113.4Q452 R493 A495Q452-A497 WeakPolarHBondContact CG-O 3.34Å; R493-A497 PolarHBondContact O-N 3.37Å; A495-A497 PolarHBondContact O-N 2.9Å
498V94.8Very high92.2Very high0 Ų049.4 Ų49.40%028%0.276CS..Hα-helixtrans-73-42.1173.8730000110.8L451 Q494 A495 S496 E500 V501 T502 W507 P519L451-V498 HydrophobicContact CD1-CG2 4.25Å; Q494-V498 PolarHBondContact O-N 3.23Å; A495-V498 WeakPolarHBondContact O-CG1 3.33Å; A495-V498 PolarHBondContact O-N 3.43Å; S496-V498 VanDerWaalsContact C-N 3.34Å; S496-V498 PolarHBondContact O-N 3.13Å; V498-E500 PolarHBondContact O-N 3.22Å; V498-E500 VanDerWaalsContact O-N 3.16Å; V498-V501 WeakPolarHBondContact O-CG2 3.08Å; V498-V501 PolarHBondContact O-N 3.42Å; V498-T502 VanDerWaalsContact C-OG1 3.32Å; V498-T502 HydrophobicContact CG2-CG2 3.86Å; V498-T502 PolarHBondContact O-N 2.94Å; V498-T502 VanDerWaalsContact O-N 3.08Å; V498-T502 PolarHBondContact O-OG1 3.35Å; V498-W507 HydrophobicContact CB-CD2 4.45Å; V498-W507 HydrophobicContact CB-CZ2 3.86Å; V498-W507 HydrophobicContact CG1-CD2 4.03Å; V498-W507 HydrophobicContact CG1-CG 3.99Å; V498-W507 HydrophobicContact CG1-CZ2 4.34Å; V498-W507 HydrophobicContact CG2-CD2 4.29Å; V498-W507 HydrophobicContact CG2-CH2 3.84Å; V498-W507 HydrophobicContact CG2-CZ2 3.51Å; V498-W507 HydrophobicContact CG2-CZ3 4.35Å; V498-P519 HydrophobicContact CG2-CG 4.02Å
499A94.9Very high92.1Very high15 Ų1549.7 Ų49.712%0.12428%0.275CS..Hα-helixtrans-56.8-34.4-178.400000113.3A495 S496 V501 T502 G504 Y505 T506A495-A499 WeakPolarHBondContact O-CB 3.31Å; A495-A499 PolarHBondContact O-N 2.96Å; S496-A499 PolarHBondContact O-N 2.94Å; A499-V501 PolarHBondContact O-N 3.32Å; A499-T502 WeakPolarHBondContact CA-OG1 3.07Å; A499-T502 PolarHBondContact O-N 3.3Å; A499-G504 WeakPolarHBondContact CB-O 3.19Å; A499-G504 WeakPolarHBondContact O-CA 3.31Å; A499-G504 PolarHBondContact O-N 3.43Å; A499-Y505 WeakPolarHBondContact CA-O 3.07Å; A499-T506 HydrophobicContact CB-CG2 4.16Å
500E93.8Very high92.2Very high167 Ų16745.2 Ų45.278%0.7826%0.256SS*.THydrogen-bonded Turntrans-56.5-30.4174.5-74.7178.3-16400113.8S496 V498S496-E500 PolarHBondContact O-N 3.04Å; S496-E500 VanDerWaalsContact O-N 3.16Å; V498-E500 PolarHBondContact O-N 3.22Å; V498-E500 VanDerWaalsContact O-N 3.16Å
501V94Very high92.4Very high45 Ų4541.3 Ų41.327%0.27324%0.243SC..THydrogen-bonded Turntrans-108.8-6.7-179.2-59.90000113.5L451 Q452 V498 A499 Y522L451-V501 HydrophobicContact CB-CG2 4.23Å; Q452-V501 HydrophobicContact CG-CG2 4.12Å; V498-V501 WeakPolarHBondContact O-CG2 3.08Å; V498-V501 PolarHBondContact O-N 3.42Å; A499-V501 PolarHBondContact O-N 3.32Å; V501-Y522 PolarHBondContact O-OH 3.36Å
502T95.5Very high92.4Very high0 Ų041.3 Ų41.30%024%0.243CC..THydrogen-bonded Turntrans-120.141.7-176.355.20000113.9L451 V498 A499 G504 Y505 K517 P519 Y522L451-T502 HydrophobicContact CD1-CG2 3.98Å; V498-T502 VanDerWaalsContact C-OG1 3.32Å; V498-T502 HydrophobicContact CG2-CG2 3.86Å; V498-T502 PolarHBondContact O-N 2.94Å; V498-T502 VanDerWaalsContact O-N 3.08Å; V498-T502 PolarHBondContact O-OG1 3.35Å; A499-T502 WeakPolarHBondContact CA-OG1 3.07Å; A499-T502 PolarHBondContact O-N 3.3Å; T502-G504 PolarHBondContact O-N 3.16Å; T502-Y505 PolarHBondContact O-N 3.31Å; T502-Y505 PolarHBondContact OG1-O 3.45Å; T502-K517 CarbonylContact C-O 3.54Å; T502-K517 WeakPolarHBondContact CA-O 3.41Å; T502-K517 WeakPolarHBondContact CB-O 3.31Å; T502-P519 HydrophobicContact CG2-CB 4.43Å; T502-P519 HydrophobicContact CG2-CG 3.89Å; T502-Y522 HydrophobicContact CG2-CD2 4.01Å; T502-Y522 HydrophobicContact CG2-CE2 3.74Å
503G91.3Very high92.5Very high57 Ų5739.9 Ų39.959%0.58823%0.23SC*.THydrogen-bonded Turntrans63.924.4172.100000114.4
504G93.1Very high92.7Very high48 Ų4837.4 Ų37.450%0.49523%0.228SC..THydrogen-bonded Turntrans92-8.7-176.600000114.9A499 T502A499-G504 WeakPolarHBondContact CB-O 3.19Å; A499-G504 WeakPolarHBondContact O-CA 3.31Å; A499-G504 PolarHBondContact O-N 3.43Å; T502-G504 PolarHBondContact O-N 3.16Å
505Y93.9Very high92.8Very high61 Ų6135.9 Ų35.924%0.23922%0.223CC..  trans-83.2128.1-178.5-71.2-82.6000112.5A499 T502 E509 Q512 S515A499-Y505 WeakPolarHBondContact CA-O 3.07Å; T502-Y505 PolarHBondContact O-N 3.31Å; T502-Y505 PolarHBondContact OG1-O 3.45Å; Y505-E509 HydrophobicContact CD1-CB 4.28Å; Y505-E509 WeakPolarHBondContact CD1-OE2 3.43Å; Y505-Q512 HydrophobicContact CD1-CB 4.47Å; Y505-Q512 HydrophobicContact CD1-CG 3.94Å; Y505-Q512 HydrophobicContact CE1-CG 4.5Å; Y505-S515 WeakPolarHBondContact CE2-OG 3.47Å; Y505-S515 WeakPolarHBondContact OH-CB 3.28Å
506T94.5Very high92.7Very high26 Ų2643.8 Ų43.816%0.1626%0.259CS..  trans-80.5176.4170.464.20000112.7A495 A499 F508 E509 Q512A495-T506 HydrophobicContact CB-CG2 3.64Å; A499-T506 HydrophobicContact CB-CG2 4.16Å; T506-F508 PolarHBondContact O-N 2.89Å; T506-F508 PolarHBondContact OG1-N 3.41Å; T506-E509 WeakPolarHBondContact CB-OE1 3.45Å; T506-E509 WeakPolarHBondContact CG2-OE1 3.23Å; T506-E509 PolarHBondContact N-OE1 2.86Å; T506-E509 WeakPolarHBondContact OG1-CG 3.23Å; T506-E509 PolarHBondContact OG1-N 3.23Å; T506-E509 PolarHBondContact OG1-OE1 3.37Å; T506-Q512 PolarHBondContact O-NE2 2.85Å; T506-Q512 PolarHBondContact O-OE1 2.84Å
507W93.8Very high92.6Very high10 Ų1046.8 Ų46.84%0.03826%0.264CS..SBendtrans-61.4-22.8172.5-58.9111.1000114.4T327 P329 L451 L464 V498 P519T327-W507 HydrophobicContact CG2-CH2 4.1Å; T327-W507 HydrophobicContact CG2-CZ3 4.37Å; P329-W507 HydrophobicContact CB-CB 3.92Å; P329-W507 HydrophobicContact CB-CD2 4.42Å; P329-W507 HydrophobicContact CB-CG 3.79Å; P329-W507 HydrophobicContact CG-CB 3.93Å; P329-W507 HydrophobicContact CG-CG 4.13Å; L451-W507 HydrophobicContact CD1-CH2 4Å; L451-W507 HydrophobicContact CD1-CZ3 4.33Å; L464-W507 HydrophobicContact CD1-CE3 4.31Å; L464-W507 HydrophobicContact CD1-CZ3 3.74Å; L464-W507 HydrophobicContact CG-CZ3 4.17Å; V498-W507 HydrophobicContact CB-CD2 4.45Å; V498-W507 HydrophobicContact CB-CZ2 3.86Å; V498-W507 HydrophobicContact CG1-CD2 4.03Å; V498-W507 HydrophobicContact CG1-CG 3.99Å; V498-W507 HydrophobicContact CG1-CZ2 4.34Å; V498-W507 HydrophobicContact CG2-CD2 4.29Å; V498-W507 HydrophobicContact CG2-CH2 3.84Å; V498-W507 HydrophobicContact CG2-CZ2 3.51Å; V498-W507 HydrophobicContact CG2-CZ3 4.35Å; W507-P519 HydrophobicContact CE3-CB 3.83Å; W507-P519 HydrophobicContact CE3-CG 4.29Å; W507-P519 HydrophobicContact CZ3-CB 3.81Å
508F93.2Very high92.8Very high25 Ų2545.2 Ų45.211%0.1125%0.25CS..SBendtrans-111.4-15-163.5-55.7-63.9000114.5P329 L467 Q469 A472 L491 T506P329-F508 HydrophobicContact CB-CE1 3.94Å; P329-F508 HydrophobicContact CB-CE2 4.48Å; P329-F508 HydrophobicContact CB-CZ 3.61Å; P329-F508 HydrophobicContact CG-CE1 3.89Å; P329-F508 HydrophobicContact CG-CZ 4.11Å; L467-F508 WeakPolarHBondContact O-CD1 2.92Å; Q469-F508 HydrophobicContact CB-CB 4.24Å; Q469-F508 HydrophobicContact CB-CD1 3.82Å; Q469-F508 HydrophobicContact CB-CD2 4.22Å; Q469-F508 HydrophobicContact CB-CE1 4.2Å; Q469-F508 HydrophobicContact CB-CG 3.83Å; Q469-F508 HydrophobicContact CG-CD1 4.47Å; Q469-F508 HydrophobicContact CG-CD2 4.09Å; Q469-F508 HydrophobicContact CG-CE2 4.21Å; Q469-F508 HydrophobicContact CG-CG 4.22Å; Q469-F508 HydrophobicContact CG-CZ 4.46Å; A472-F508 HydrophobicContact CB-CE1 4.1Å; A472-F508 HydrophobicContact CB-CZ 4.18Å; L491-F508 HydrophobicContact CB-CE2 4.39Å; L491-F508 HydrophobicContact CD2-CE2 4.44Å; L491-F508 HydrophobicContact CD2-CZ 4.05Å; T506-F508 PolarHBondContact O-N 2.89Å; T506-F508 PolarHBondContact OG1-N 3.41Å
509E92Very high92.9Very high69 Ų6945.2 Ų45.232%0.32225%0.251SS..  trans-58.6145.9-179-86.1159.2-119.900112.3P191 Y505 T506 Q512P191-E509 VanDerWaalsContact CA-O 3.31Å; P191-E509 WeakPolarHBondContact CA-O 3.41Å; Y505-E509 HydrophobicContact CD1-CB 4.28Å; Y505-E509 WeakPolarHBondContact CD1-OE2 3.43Å; T506-E509 WeakPolarHBondContact CB-OE1 3.45Å; T506-E509 WeakPolarHBondContact CG2-OE1 3.23Å; T506-E509 PolarHBondContact N-OE1 2.86Å; T506-E509 WeakPolarHBondContact OG1-CG 3.23Å; T506-E509 PolarHBondContact OG1-N 3.23Å; T506-E509 PolarHBondContact OG1-OE1 3.37Å; E509-Q512 HydrophobicContact CB-CG 4.26Å; E509-Q512 WeakPolarHBondContact O-CG 3.42Å; E509-Q512 PolarHBondContact O-NE2 2.96Å
510A92Very high92.9Very high7 Ų744.6 Ų44.66%0.05825%0.245CC..SBendtrans-86.4152.6176.800000111.4L184 S190L184-A510 HydrophobicContact CB-CB 3.5Å; L184-A510 VanDerWaalsContact CB-CB 3.5Å; S190-A510 WeakPolarHBondContact O-CA 3.46Å
511G92.2Very high93Very high6 Ų638 Ų386%0.06222%0.216CC..SBendtrans75.332.9172.400000113.9S190 I193 S195S190-G511 PolarHBondContact O-N 3.46Å; I193-G511 CarbonylContact O-C 3.14Å; I193-G511 WeakPolarHBondContact O-CA 3.45Å; S195-G511 VanDerWaalsContact CA-O 3.24Å; S195-G511 WeakPolarHBondContact CA-O 3.42Å
512Q93Very high93.1Very high1 Ų139.1 Ų39.11%0.00522%0.215CC..  trans-81.3-28.3-174.8-56.4-172.321.600112.8P191 I193 Y505 T506 E509 C514 S515 S518 I520P191-Q512 HydrophobicContact CB-CG 4.36Å; P191-Q512 WeakPolarHBondContact O-CB 3.38Å; P191-Q512 PolarHBondContact O-N 2.97Å; I193-Q512 PolarHBondContact O-N 3.04Å; Y505-Q512 HydrophobicContact CD1-CB 4.47Å; Y505-Q512 HydrophobicContact CD1-CG 3.94Å; Y505-Q512 HydrophobicContact CE1-CG 4.5Å; T506-Q512 PolarHBondContact O-NE2 2.85Å; T506-Q512 PolarHBondContact O-OE1 2.84Å; E509-Q512 HydrophobicContact CB-CG 4.26Å; E509-Q512 WeakPolarHBondContact O-CG 3.42Å; E509-Q512 PolarHBondContact O-NE2 2.96Å; Q512-C514 PolarHBondContact O-N 3.18Å; Q512-S515 WeakPolarHBondContact O-CB 3.38Å; Q512-S515 PolarHBondContact O-N 3.23Å; Q512-S515 VanDerWaalsContact O-N 3.08Å; Q512-S515 PolarHBondContact O-OG 3.21Å; Q512-S518 PolarHBondContact O-OG 2.93Å; Q512-I520 HydrophobicContact CB-CB 4.1Å; Q512-I520 HydrophobicContact CB-CG1 3.93Å; Q512-I520 HydrophobicContact CG-CG1 4.47Å
513Y93.6Very high93.2Very high40 Ų4039.2 Ų39.216%0.15722%0.216CC..BIsolated β-bridgetrans-69.7132.9-166.7-170.9-149.7000112I193 F194 S195 S515 I520I193-Y513 PolarHBondContact O-N 3.46Å; I193-Y513 VanDerWaalsContact O-N 3.08Å; F194-Y513 CarbonylContact C-O 3.56Å; F194-Y513 WeakPolarHBondContact CA-O 3.47Å; F194-Y513 AromaticContact CD1-CD1 3.39Å; F194-Y513 HydrophobicContact CD1-CD1 3.39Å; F194-Y513 HydrophobicContact CD1-CE1 4.03Å; F194-Y513 AromaticContact CD1-CG 3.92Å; F194-Y513 HydrophobicContact CD1-CG 3.92Å; F194-Y513 AromaticContact CE1-CD1 3.13Å; F194-Y513 HydrophobicContact CE1-CD1 3.13Å; F194-Y513 AromaticContact CE1-CE1 3.25Å; F194-Y513 HydrophobicContact CE1-CE1 3.25Å; F194-Y513 AromaticContact CE1-CG 3.97Å; F194-Y513 HydrophobicContact CE1-CG 3.97Å; F194-Y513 HydrophobicContact CG-CD1 4.35Å; F194-Y513 AromaticContact CZ-CD1 3.93Å; F194-Y513 HydrophobicContact CZ-CD1 3.93Å; F194-Y513 AromaticContact CZ-CE1 3.8Å; F194-Y513 HydrophobicContact CZ-CE1 3.8Å; S195-Y513 PolarHBondContact N-O 2.82Å; Y513-S515 VanDerWaalsContact C-N 3.33Å; Y513-I520 HydrophobicContact CD2-CG2 3.79Å; Y513-I520 HydrophobicContact CG-CG2 4.09Å
514C92.2Very high93.5Very high51 Ų5136.6 Ų36.635%0.34519%0.189SC..THydrogen-bonded Turntrans60.538.1-169.6-58.20000113.3F194 S195 K198 Q512 Q516 D521F194-C514 HydrophobicContact CD1-CB 4.18Å; S195-C514 PolarHBondContact OG-O 2.92Å; K198-C514 HydrophobicContact CB-CB 4.28Å; K198-C514 HydrophobicContact CG-CB 4.23Å; Q512-C514 PolarHBondContact O-N 3.18Å; C514-Q516 VanDerWaalsContact C-N 3.34Å; C514-D521 VanDerWaalsContact CA-OD1 3.26Å; C514-D521 WeakPolarHBondContact CA-OD1 3.48Å; C514-D521 PolarHBondContact N-OD1 2.77Å
515S89.8Confident93.7Very high20 Ų2034.4 Ų34.414%0.1417%0.166CC..SBendtrans-96.510.8167.464.70000112.7Y505 Q512 Y513 K517 S518 D521Y505-S515 WeakPolarHBondContact CE2-OG 3.47Å; Y505-S515 WeakPolarHBondContact OH-CB 3.28Å; Q512-S515 WeakPolarHBondContact O-CB 3.38Å; Q512-S515 PolarHBondContact O-N 3.23Å; Q512-S515 VanDerWaalsContact O-N 3.08Å; Q512-S515 PolarHBondContact O-OG 3.21Å; Y513-S515 VanDerWaalsContact C-N 3.33Å; S515-K517 PolarHBondContact O-N 3.43Å; S515-K517 VanDerWaalsContact O-N 3.1Å; S515-S518 WeakPolarHBondContact OG-CB 3.43Å; S515-S518 PolarHBondContact OG-OG 3.08Å; S515-D521 PolarHBondContact N-OD2 2.7Å; S515-D521 VanDerWaalsContact N-OD2 3.12Å; S515-D521 PolarHBondContact OG-OD2 3.33Å
516Q87.3Confident93.9Very high174 Ų17431.6 Ų31.681%0.81315%0.154SC*.SBendtrans76.6-38.1178.4-49.4175.9-2.500115.3C514 D521C514-Q516 VanDerWaalsContact C-N 3.34Å; Q516-D521 PolarHBondContact N-OD2 3.23Å
517K89.6Confident94Very high127 Ų12730.3 Ų30.355%0.55215%0.147SC*.SBendtrans-136.110.5-172.6-70.8-171177.9-179.20115.3T502 S515 D521 Y522T502-K517 CarbonylContact C-O 3.54Å; T502-K517 WeakPolarHBondContact CA-O 3.41Å; T502-K517 WeakPolarHBondContact CB-O 3.31Å; S515-K517 PolarHBondContact O-N 3.43Å; S515-K517 VanDerWaalsContact O-N 3.1Å; K517-D521 PolarHBondContact N-OD2 3.37Å; K517-Y522 WeakPolarHBondContact O-CE2 2.96Å
518S94.9Very high94.1Very high0 Ų029.9 Ų29.90%015%0.145CC..SBendtrans-68.216317765.10000113.2Q512 S515 I520 D521 Y522Q512-S518 PolarHBondContact O-OG 2.93Å; S515-S518 WeakPolarHBondContact OG-CB 3.43Å; S515-S518 PolarHBondContact OG-OG 3.08Å; S518-I520 PolarHBondContact O-N 3.49Å; S518-D521 PolarHBondContact N-OD2 2.73Å; S518-D521 VanDerWaalsContact N-OD2 3.09Å; S518-D521 WeakPolarHBondContact O-CB 3.45Å; S518-D521 PolarHBondContact O-N 3.42Å; S518-D521 PolarHBondContact OG-N 3.29Å; S518-D521 VanDerWaalsContact OG-N 3.16Å; S518-D521 PolarHBondContact OG-OD2 2.86Å; S518-Y522 WeakPolarHBondContact O-CD2 3.49Å; S518-Y522 PolarHBondContact O-N 3.25Å
519P96Very high94.1Very high1 Ų129.2 Ų29.21%0.00614%0.143CC..Hα-helixtrans-50.2-40.5170.5-25.733.3000113L451 L464 V498 T502 W507 D521 Y522 A523L451-P519 HydrophobicContact CD1-CB 4.39Å; L464-P519 HydrophobicContact CD1-CB 3.91Å; L464-P519 WeakPolarHBondContact CD1-O 3.29Å; V498-P519 HydrophobicContact CG2-CG 4.02Å; T502-P519 HydrophobicContact CG2-CB 4.43Å; T502-P519 HydrophobicContact CG2-CG 3.89Å; W507-P519 HydrophobicContact CE3-CB 3.83Å; W507-P519 HydrophobicContact CE3-CG 4.29Å; W507-P519 HydrophobicContact CZ3-CB 3.81Å; P519-D521 VanDerWaalsContact C-N 3.32Å; P519-D521 PolarHBondContact O-N 3.24Å; P519-Y522 PolarHBondContact O-N 3.49Å; P519-A523 PolarHBondContact O-N 3.49Å
520I95.6Very high94Very high2 Ų228 Ų281%0.0114%0.138CC..Hα-helixtrans-63.4-35.9177.8-61.4-64000111.7P191 L192 L464 V466 Q512 Y513 S518 Y522 A523 I526P191-I520 HydrophobicContact CB-CD1 3.97Å; P191-I520 HydrophobicContact CB-CG1 3.94Å; L192-I520 HydrophobicContact CD1-CD1 4.01Å; L464-I520 HydrophobicContact CD2-CD1 3.92Å; V466-I520 HydrophobicContact CG1-CD1 3.74Å; Q512-I520 HydrophobicContact CB-CB 4.1Å; Q512-I520 HydrophobicContact CB-CG1 3.93Å; Q512-I520 HydrophobicContact CG-CG1 4.47Å; Y513-I520 HydrophobicContact CD2-CG2 3.79Å; Y513-I520 HydrophobicContact CG-CG2 4.09Å; S518-I520 PolarHBondContact O-N 3.49Å; I520-Y522 VanDerWaalsContact C-N 3.27Å; I520-Y522 PolarHBondContact O-N 3.02Å; I520-A523 WeakPolarHBondContact O-CB 3.49Å; I520-A523 PolarHBondContact O-N 3.31Å; I520-A523 VanDerWaalsContact O-N 3.14Å; I520-I526 HydrophobicContact CD1-CD1 4Å; I520-I526 HydrophobicContact CG2-CD1 3.87Å
521D95.5Very high93.8Very high29 Ų2928.6 Ų28.616%0.15514%0.138CC..Hα-helixtrans-69.3-22.7177.2-65.4-51.7000113K307 C514 S515 Q516 K517 S518 P519K307-D521 PolarHBondContact NZ-O 3.37Å; C514-D521 VanDerWaalsContact CA-OD1 3.26Å; C514-D521 WeakPolarHBondContact CA-OD1 3.48Å; C514-D521 PolarHBondContact N-OD1 2.77Å; S515-D521 PolarHBondContact N-OD2 2.7Å; S515-D521 VanDerWaalsContact N-OD2 3.12Å; S515-D521 PolarHBondContact OG-OD2 3.33Å; Q516-D521 PolarHBondContact N-OD2 3.23Å; K517-D521 PolarHBondContact N-OD2 3.37Å; S518-D521 PolarHBondContact N-OD2 2.73Å; S518-D521 VanDerWaalsContact N-OD2 3.09Å; S518-D521 WeakPolarHBondContact O-CB 3.45Å; S518-D521 PolarHBondContact O-N 3.42Å; S518-D521 PolarHBondContact OG-N 3.29Å; S518-D521 VanDerWaalsContact OG-N 3.16Å; S518-D521 PolarHBondContact OG-OD2 2.86Å; P519-D521 VanDerWaalsContact C-N 3.32Å; P519-D521 PolarHBondContact O-N 3.24Å
522Y96Very high93.6Very high68 Ų6831.1 Ų31.127%0.26715%0.15SC..Hα-helixtrans-75.6-26171.8-72.9-87.9000112.5K307 L451 V462 V501 T502 K517 S518 P519 I520 H524K307-Y522 WeakPolarHBondContact CE-O 3.42Å; K307-Y522 VanDerWaalsContact NZ-C 3.28Å; K307-Y522 PolarHBondContact NZ-O 3Å; L451-Y522 HydrophobicContact CD1-CD2 4.3Å; L451-Y522 HydrophobicContact CD1-CG 4.41Å; L451-Y522 HydrophobicContact CD2-CD1 4.15Å; L451-Y522 HydrophobicContact CD2-CG 3.96Å; V462-Y522 WeakPolarHBondContact CB-O 3.28Å; V501-Y522 PolarHBondContact O-OH 3.36Å; T502-Y522 HydrophobicContact CG2-CD2 4.01Å; T502-Y522 HydrophobicContact CG2-CE2 3.74Å; K517-Y522 WeakPolarHBondContact O-CE2 2.96Å; S518-Y522 WeakPolarHBondContact O-CD2 3.49Å; S518-Y522 PolarHBondContact O-N 3.25Å; P519-Y522 PolarHBondContact O-N 3.49Å; I520-Y522 VanDerWaalsContact C-N 3.27Å; I520-Y522 PolarHBondContact O-N 3.02Å; Y522-H524 PolarHBondContact O-ND1 3.39Å
523A97.2Very high93.4Very high2 Ų234.4 Ų34.42%0.01717%0.172CC..  trans-70.8134.7-175.900000112.6K307 L464 P519 I520 I526K307-A523 VanDerWaalsContact CE-O 3.28Å; K307-A523 WeakPolarHBondContact CE-O 3.23Å; L464-A523 HydrophobicContact CB-CB 3.6Å; L464-A523 HydrophobicContact CD1-CB 4.24Å; P519-A523 PolarHBondContact O-N 3.49Å; I520-A523 WeakPolarHBondContact O-CB 3.49Å; I520-A523 PolarHBondContact O-N 3.31Å; I520-A523 VanDerWaalsContact O-N 3.14Å; A523-I526 HydrophobicContact CB-CD1 4.38Å; A523-I526 HydrophobicContact CB-CG1 3.79Å
524H97.8Very high93.2Very high2 Ų239 Ų391%0.00920%0.195CC..SBendtrans-92.4-38167.9-64.580.3000110.6L305 L306 K307 P308 E461 V462 Y522L305-H524 CarbonylContact C-O 3.58Å; L305-H524 WeakPolarHBondContact CA-O 3.01Å; L305-H524 HydrophobicContact CD1-CB 4Å; L306-H524 PolarHBondContact N-O 3.11Å; K307-H524 VanDerWaalsContact CE-CE1 3.49Å; K307-H524 WeakPolarHBondContact CE-CE1 3.26Å; K307-H524 WeakPolarHBondContact CE-NE2 3.43Å; P308-H524 PolarHBondContact O-CD2 2.98Å; P308-H524 PolarHBondContact O-NE2 2.93Å; E461-H524 HydrophobicContact CB-CB 4.07Å; E461-H524 HydrophobicContact CG-CB 4.16Å; V462-H524 PolarHBondContact N-ND1 3.04Å; V462-H524 PolarHBondContact O-N 3.33Å; Y522-H524 PolarHBondContact O-ND1 3.39Å
525V98.2Very high93.1Very high2 Ų236.7 Ų36.71%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-129.8139.8174.6178.80000108.1L305 V462 W463 L464 L527L305-V525 HydrophobicContact CD1-CG2 4.31Å; V462-V525 PolarHBondContact O-N 3.42Å; W463-V525 WeakPolarHBondContact CA-O 3.36Å; W463-V525 HydrophobicContact CD2-CB 4.03Å; W463-V525 HydrophobicContact CD2-CG1 4.27Å; W463-V525 HydrophobicContact CD2-CG2 4.41Å; W463-V525 HydrophobicContact CG-CB 3.87Å; W463-V525 HydrophobicContact CG-CG1 4.5Å; W463-V525 HydrophobicContact CG-CG2 4.45Å; W463-V525 HydrophobicContact CZ2-CG2 4.34Å; L464-V525 PolarHBondContact N-O 3.37Å; V525-L527 HydrophobicContact CG1-CD2 4.26Å; V525-L527 HydrophobicContact CG1-CG 4.38Å
526I97.6Very high93.2Very high1 Ų136 Ų361%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-115135.4174.6-60.2173.6000109.6L192 L302 G303 L306 L464 V466 I520 A523L192-I526 HydrophobicContact CD1-CD1 4.11Å; L192-I526 HydrophobicContact CD1-CG2 4.09Å; L192-I526 HydrophobicContact CD2-CB 4.43Å; L192-I526 HydrophobicContact CD2-CD1 3.91Å; L192-I526 HydrophobicContact CD2-CG2 4.1Å; L192-I526 HydrophobicContact CG-CD1 3.7Å; L192-I526 HydrophobicContact CG-CG2 4.44Å; L302-I526 WeakPolarHBondContact CA-O 3.46Å; L302-I526 HydrophobicContact CD2-CB 4.31Å; L302-I526 HydrophobicContact CD2-CG2 3.82Å; G303-I526 PolarHBondContact N-O 3Å; L306-I526 HydrophobicContact CD1-CB 4.35Å; L306-I526 HydrophobicContact CD1-CD1 3.32Å; L306-I526 HydrophobicContact CD1-CG1 3.59Å; L464-I526 WeakPolarHBondContact O-CA 3.39Å; V466-I526 HydrophobicContact CB-CG2 4.43Å; V466-I526 HydrophobicContact CG1-CG2 3.79Å; V466-I526 HydrophobicContact CG2-CG2 3.8Å; I520-I526 HydrophobicContact CD1-CD1 4Å; I520-I526 HydrophobicContact CG2-CD1 3.87Å; A523-I526 HydrophobicContact CB-CD1 4.38Å; A523-I526 HydrophobicContact CB-CG1 3.79Å
527L97.2Very high93.5Very high0 Ų029.9 Ų29.90%015%0.146CC..EExtended strand (participates in β ladder)trans-125150.3177.8-59.9173.9000109.7L337 W463 L464 T465 V466 V525 Q539L337-L527 HydrophobicContact CD1-CB 3.87Å; L337-L527 HydrophobicContact CD1-CD1 4.1Å; W463-L527 HydrophobicContact CE3-CD1 3.79Å; W463-L527 HydrophobicContact CZ3-CD1 4.27Å; L464-L527 PolarHBondContact O-N 3.04Å; T465-L527 CarbonylContact C-O 3.48Å; T465-L527 VanDerWaalsContact CA-O 3.27Å; T465-L527 WeakPolarHBondContact CA-O 3.3Å; V466-L527 PolarHBondContact N-O 3.38Å; V525-L527 HydrophobicContact CG1-CD2 4.26Å; V525-L527 HydrophobicContact CG1-CG 4.38Å; L527-Q539 HydrophobicContact CD2-CB 3.74Å
528S94.8Very high93.6Very high0 Ų028.5 Ų28.50%014%0.138CC..EExtended strand (participates in β ladder)trans-134.4141.1173.4178.60000110.4V466 E530 Q539V466-S528 PolarHBondContact O-OG 3.24Å; S528-E530 WeakPolarHBondContact OG-CB 3.4Å; S528-E530 PolarHBondContact OG-N 2.97Å; S528-Q539 PolarHBondContact O-NE2 3.22Å; S528-Q539 PolarHBondContact O-OE1 3.36Å
529T93.8Very high93.6Very high11 Ų1128.6 Ų28.67%0.06714%0.138CC..  trans-111.420.8173.866.20000112.4S332 L337 R475 W531 S536S332-T529 VanDerWaalsContact C-OG1 3.31Å; S332-T529 WeakPolarHBondContact O-CG2 3.29Å; S332-T529 PolarHBondContact O-OG1 2.79Å; L337-T529 HydrophobicContact CD1-CG2 3.56Å; L337-T529 HydrophobicContact CD2-CG2 3.97Å; L337-T529 HydrophobicContact CG-CG2 3.67Å; R475-T529 PolarHBondContact NH1-O 3.42Å; R475-T529 PolarHBondContact NH1-OG1 3.12Å; R475-T529 PolarHBondContact NH2-O 3.01Å; T529-W531 VanDerWaalsContact C-N 3.27Å; T529-W531 PolarHBondContact O-N 3.44Å; T529-S536 WeakPolarHBondContact CA-OG 3.35Å
530E89.5Confident93.6Very high45 Ų4528.6 Ų28.621%0.2114%0.138CC..SBendtrans-65.8-28.8-176.1-171.6162.3-155.200113.2L467 S468 S528L467-E530 HydrophobicContact CD1-CB 3.9Å; L467-E530 HydrophobicContact CD1-CG 4.28Å; S468-E530 PolarHBondContact OG-OE1 3.02Å; S528-E530 WeakPolarHBondContact OG-CB 3.4Å; S528-E530 PolarHBondContact OG-N 2.97Å
531W87.9Confident93.6Very high18 Ų1833 Ų337%0.06816%0.159CC..SBendtrans-105.5-173.2-177.2-55.4-78.5000112.9Y188 L189 K281 P284 F299 L302 T529 C535Y188-W531 HydrophobicContact CD1-CZ2 4.05Å; Y188-W531 HydrophobicContact CE1-CZ2 4.38Å; L189-W531 HydrophobicContact CD1-CH2 4.13Å; L189-W531 HydrophobicContact CD2-CH2 3.95Å; L189-W531 HydrophobicContact CG-CH2 4.06Å; K281-W531 WeakPolarHBondContact O-CB 3.49Å; P284-W531 HydrophobicContact CG-CD2 4.35Å; P284-W531 HydrophobicContact CG-CZ2 4.1Å; F299-W531 HydrophobicContact CD2-CE3 4.47Å; F299-W531 AromaticContact CD2-CH2 3.64Å; F299-W531 HydrophobicContact CD2-CH2 3.64Å; F299-W531 HydrophobicContact CD2-CZ2 4.11Å; F299-W531 AromaticContact CD2-CZ3 3.84Å; F299-W531 HydrophobicContact CD2-CZ3 3.84Å; F299-W531 HydrophobicContact CE2-CD2 4.22Å; F299-W531 AromaticContact CE2-CE3 3.83Å; F299-W531 HydrophobicContact CE2-CE3 3.83Å; F299-W531 AromaticContact CE2-CH2 3.84Å; F299-W531 HydrophobicContact CE2-CH2 3.84Å; F299-W531 HydrophobicContact CE2-CZ2 4.22Å; F299-W531 AromaticContact CE2-CZ3 3.62Å; F299-W531 HydrophobicContact CE2-CZ3 3.62Å; L302-W531 HydrophobicContact CD1-CH2 4.25Å; L302-W531 HydrophobicContact CD1-CZ3 3.73Å; T529-W531 VanDerWaalsContact C-N 3.27Å; T529-W531 PolarHBondContact O-N 3.44Å; W531-C535 HydrophobicContact CB-CB 3.96Å
532D87.6Confident93.6Very high60 Ų6034.2 Ų34.232%0.32116%0.163SC..  trans-49.8149.3178.4-68.1-17000113.7K281 A282 E534 C535 S536K281-D532 VanDerWaalsContact O-CG 3.32Å; K281-D532 PolarHBondContact O-N 2.97Å; K281-D532 VanDerWaalsContact O-N 3.13Å; A282-D532 VanDerWaalsContact CA-OD2 3.29Å; A282-D532 WeakPolarHBondContact CA-OD2 3.46Å; D532-E534 WeakPolarHBondContact CB-OE2 3.45Å; D532-E534 PolarHBondContact O-N 3.45Å; D532-E534 VanDerWaalsContact O-N 3.09Å; D532-C535 VanDerWaalsContact O-CB 3.27Å; D532-C535 WeakPolarHBondContact O-CB 3.49Å; D532-C535 PolarHBondContact O-N 2.97Å; D532-S536 PolarHBondContact O-N 3.49Å
533P89.2Confident93.7Very high70 Ų7031 Ų3146%0.45515%0.15SC..Hα-helixtrans-50-35-179.4-30.637.9000115.1C535 S536 Q537P533-C535 VanDerWaalsContact C-N 3.31Å; P533-C535 PolarHBondContact O-N 3.12Å; P533-S536 WeakPolarHBondContact O-CB 3.5Å; P533-S536 PolarHBondContact O-N 2.67Å; P533-Q537 WeakPolarHBondContact O-CB 3.39Å; P533-Q537 PolarHBondContact O-N 3.31Å
534E89.6Confident93.7Very high136 Ų13631.8 Ų31.864%0.63615%0.152SC*.Hα-helixtrans-63.1-37.3178.1-65.373.6-16400111.3D532 Q537 Y538D532-E534 WeakPolarHBondContact CB-OE2 3.45Å; D532-E534 PolarHBondContact O-N 3.45Å; D532-E534 VanDerWaalsContact O-N 3.09Å; E534-Q537 PolarHBondContact O-N 3.17Å; E534-Y538 WeakPolarHBondContact O-CB 3.39Å; E534-Y538 PolarHBondContact O-N 3.43Å
535C89.6Confident93.6Very high2 Ų238 Ų381%0.01418%0.18CC..Hα-helixtrans-65.6-42175.6-1740000111.1Y283 W531 D532 P533 Q537 Q539Y283-C535 HydrophobicContact CD2-CB 3.97Å; W531-C535 HydrophobicContact CB-CB 3.96Å; D532-C535 VanDerWaalsContact O-CB 3.27Å; D532-C535 WeakPolarHBondContact O-CB 3.49Å; D532-C535 PolarHBondContact O-N 2.97Å; P533-C535 VanDerWaalsContact C-N 3.31Å; P533-C535 PolarHBondContact O-N 3.12Å; C535-Q537 VanDerWaalsContact C-N 3.34Å; C535-Q539 VanDerWaalsContact O-CG 3.31Å; C535-Q539 WeakPolarHBondContact O-CG 3.26Å; C535-Q539 PolarHBondContact O-N 3.2Å; C535-Q539 PolarHBondContact O-NE2 3.38Å
536S92.6Very high93.4Very high6 Ų639.2 Ų39.24%0.04219%0.19CC..Hα-helixtrans-65.5-40.5175.8-600000111.2T529 D532 P533 Q539 V540T529-S536 WeakPolarHBondContact CA-OG 3.35Å; D532-S536 PolarHBondContact O-N 3.49Å; P533-S536 WeakPolarHBondContact O-CB 3.5Å; P533-S536 PolarHBondContact O-N 2.67Å; S536-Q539 PolarHBondContact O-N 3.42Å; S536-V540 WeakPolarHBondContact O-CG2 3.4Å; S536-V540 PolarHBondContact O-N 3.44Å; S536-V540 VanDerWaalsContact O-N 3.13Å
537Q93.1Very high93.3Very high45 Ų4539.2 Ų39.221%0.2119%0.19CC..Hα-helixtrans-62.5-47.5177.4-173.560.430.100111.7P533 E534 C535 Q539 V540 E541P533-Q537 WeakPolarHBondContact O-CB 3.39Å; P533-Q537 PolarHBondContact O-N 3.31Å; E534-Q537 PolarHBondContact O-N 3.17Å; C535-Q537 VanDerWaalsContact C-N 3.34Å; Q537-Q539 VanDerWaalsContact C-N 3.32Å; Q537-Q539 PolarHBondContact O-N 2.83Å; Q537-V540 WeakPolarHBondContact O-CB 3.47Å; Q537-V540 PolarHBondContact O-N 2.63Å; Q537-V540 VanDerWaalsContact O-N 3.14Å; Q537-E541 WeakPolarHBondContact CG-OE1 3.44Å; Q537-E541 PolarHBondContact NE2-OE1 3.28Å; Q537-E541 WeakPolarHBondContact O-CG 3.34Å; Q537-E541 PolarHBondContact O-N 3.47Å
538Y92.4Very high93.1Very high98 Ų9841.7 Ų41.738%0.38420%0.201SC..Hα-helixtrans-56.8-44.1176.7173.9-98.9000112.4E534 V540 E541 K542E534-Y538 WeakPolarHBondContact O-CB 3.39Å; E534-Y538 PolarHBondContact O-N 3.43Å; Y538-V540 VanDerWaalsContact C-N 3.34Å; Y538-V540 PolarHBondContact O-N 3.26Å; Y538-E541 PolarHBondContact O-N 2.91Å; Y538-K542 HydrophobicContact CE1-CD 4.29Å; Y538-K542 VanDerWaalsContact O-CB 3.24Å; Y538-K542 WeakPolarHBondContact O-CB 3.39Å; Y538-K542 PolarHBondContact O-N 3.14Å
539Q94.7Very high93Very high3 Ų346.6 Ų46.61%0.01422%0.224CC..Hα-helixtrans-62.5-41.7177.5-68.1167.664.900111.9L302 L527 S528 C535 S536 Q537 S543L302-Q539 HydrophobicContact CB-CG 4Å; L527-Q539 HydrophobicContact CD2-CB 3.74Å; S528-Q539 PolarHBondContact O-NE2 3.22Å; S528-Q539 PolarHBondContact O-OE1 3.36Å; C535-Q539 VanDerWaalsContact O-CG 3.31Å; C535-Q539 WeakPolarHBondContact O-CG 3.26Å; C535-Q539 PolarHBondContact O-N 3.2Å; C535-Q539 PolarHBondContact O-NE2 3.38Å; S536-Q539 PolarHBondContact O-N 3.42Å; Q537-Q539 VanDerWaalsContact C-N 3.32Å; Q537-Q539 PolarHBondContact O-N 2.83Å; Q539-S543 WeakPolarHBondContact O-CB 3.48Å; Q539-S543 PolarHBondContact O-N 2.82Å; Q539-S543 PolarHBondContact O-OG 3.03Å
540V95.8Very high92.8Very high0 Ų048.3 Ų48.30%023%0.229CC..Hα-helixtrans-64.1-46.6178160.70000111.2L337 R340 L341 L344 S536 Q537 Y538 S543 W544L337-V540 HydrophobicContact CD2-CG2 3.55Å; R340-V540 HydrophobicContact CB-CG1 4.22Å; L341-V540 HydrophobicContact CD2-CG1 3.7Å; L341-V540 HydrophobicContact CG-CG1 3.98Å; L341-V540 HydrophobicContact CG-CG2 4.48Å; L344-V540 HydrophobicContact CD1-CG1 3.59Å; L344-V540 HydrophobicContact CD2-CG1 4.4Å; L344-V540 HydrophobicContact CG-CG1 4.12Å; S536-V540 WeakPolarHBondContact O-CG2 3.4Å; S536-V540 PolarHBondContact O-N 3.44Å; S536-V540 VanDerWaalsContact O-N 3.13Å; Q537-V540 WeakPolarHBondContact O-CB 3.47Å; Q537-V540 PolarHBondContact O-N 2.63Å; Q537-V540 VanDerWaalsContact O-N 3.14Å; Y538-V540 VanDerWaalsContact C-N 3.34Å; Y538-V540 PolarHBondContact O-N 3.26Å; V540-S543 PolarHBondContact O-N 3.25Å; V540-W544 WeakPolarHBondContact O-CB 3.37Å; V540-W544 PolarHBondContact O-N 3.47Å
541E95.9Very high92.7Very high96 Ų9646.7 Ų46.745%0.44922%0.222SC..Hα-helixtrans-64.5-42.9177.1-72.7169.3-17500112.5L344 Q537 Y538 S543 W544 K545L344-E541 HydrophobicContact CD2-CG 4.08Å; Q537-E541 WeakPolarHBondContact CG-OE1 3.44Å; Q537-E541 PolarHBondContact NE2-OE1 3.28Å; Q537-E541 WeakPolarHBondContact O-CG 3.34Å; Q537-E541 PolarHBondContact O-N 3.47Å; Y538-E541 PolarHBondContact O-N 2.91Å; E541-S543 VanDerWaalsContact C-N 3.34Å; E541-S543 PolarHBondContact O-N 2.86Å; E541-W544 PolarHBondContact O-N 3.48Å; E541-K545 WeakPolarHBondContact O-CB 3.46Å; E541-K545 PolarHBondContact O-N 2.84Å
542K95.5Very high92.5Very high54 Ų5451.6 Ų51.624%0.23525%0.246CC..Hα-helixtrans-58.5-47.1174.8178.5-175.7168.9-164.60111.3N300 L302 S304 Y538 A546N300-K542 PolarHBondContact O-NZ 3.35Å; L302-K542 PolarHBondContact O-NZ 3.25Å; S304-K542 VanDerWaalsContact OG-CE 3.27Å; S304-K542 WeakPolarHBondContact OG-CE 3.38Å; S304-K542 PolarHBondContact OG-NZ 3.15Å; Y538-K542 HydrophobicContact CE1-CD 4.29Å; Y538-K542 VanDerWaalsContact O-CB 3.24Å; Y538-K542 WeakPolarHBondContact O-CB 3.39Å; Y538-K542 PolarHBondContact O-N 3.14Å; K542-A546 WeakPolarHBondContact O-CB 3.28Å; K542-A546 PolarHBondContact O-N 3.16Å; K542-A546 VanDerWaalsContact O-N 3.12Å
543S97Very high91.9Very high1 Ų154.6 Ų54.61%0.00726%0.261CS..Hα-helixtrans-63.4-44.3179.3-51.90000111.3G303 Q539 V540 E541 A546 L547G303-S543 WeakPolarHBondContact CA-OG 3.31Å; G303-S543 WeakPolarHBondContact O-CA 3.31Å; G303-S543 PolarHBondContact O-OG 2.96Å; Q539-S543 WeakPolarHBondContact O-CB 3.48Å; Q539-S543 PolarHBondContact O-N 2.82Å; Q539-S543 PolarHBondContact O-OG 3.03Å; V540-S543 PolarHBondContact O-N 3.25Å; E541-S543 VanDerWaalsContact C-N 3.34Å; E541-S543 PolarHBondContact O-N 2.86Å; S543-A546 PolarHBondContact O-N 3.12Å; S543-L547 WeakPolarHBondContact O-CB 3.47Å; S543-L547 PolarHBondContact O-N 3.35Å
544W96.8Very high90.9Very high17 Ų1753.9 Ų53.96%0.06425%0.253CS..Hα-helixtrans-62.9-48.5178.9179.5-118.6000112.3L344 Q347 V348 V442 V540 E541 A546 L547 Q548L344-W544 HydrophobicContact CB-CG 4.5Å; L344-W544 HydrophobicContact CD1-CB 3.41Å; L344-W544 VanDerWaalsContact CD1-CB 3.41Å; L344-W544 HydrophobicContact CD1-CD2 4.19Å; L344-W544 HydrophobicContact CD1-CG 3.49Å; L344-W544 VanDerWaalsContact CD1-CG 3.49Å; Q347-W544 HydrophobicContact CB-CH2 4.36Å; Q347-W544 HydrophobicContact CG-CH2 4.35Å; Q347-W544 VanDerWaalsContact OE1-CH2 3.26Å; V348-W544 HydrophobicContact CG2-CE3 4.15Å; V348-W544 HydrophobicContact CG2-CH2 3.42Å; V348-W544 VanDerWaalsContact CG2-CH2 3.42Å; V348-W544 HydrophobicContact CG2-CZ2 3.98Å; V348-W544 HydrophobicContact CG2-CZ3 3.51Å; V442-W544 HydrophobicContact CB-CH2 4.46Å; V442-W544 HydrophobicContact CB-CZ3 4.23Å; V442-W544 HydrophobicContact CG1-CZ3 4.22Å; V442-W544 HydrophobicContact CG2-CH2 4.05Å; V442-W544 HydrophobicContact CG2-CZ3 3.98Å; V540-W544 WeakPolarHBondContact O-CB 3.37Å; V540-W544 PolarHBondContact O-N 3.47Å; E541-W544 PolarHBondContact O-N 3.48Å; W544-A546 VanDerWaalsContact C-N 3.31Å; W544-A546 PolarHBondContact O-N 3.07Å; W544-L547 HydrophobicContact CE3-CD2 3.88Å; W544-L547 HydrophobicContact CZ3-CD2 3.74Å; W544-L547 WeakPolarHBondContact O-CB 3.5Å; W544-L547 PolarHBondContact O-N 3.14Å; W544-L547 VanDerWaalsContact O-N 3.1Å; W544-Q548 HydrophobicContact CD2-CG 4.14Å; W544-Q548 HydrophobicContact CH2-CG 4.47Å; W544-Q548 HydrophobicContact CZ2-CG 3.92Å; W544-Q548 VanDerWaalsContact NE1-CD 3.25Å; W544-Q548 WeakPolarHBondContact O-CG 3.44Å; W544-Q548 PolarHBondContact O-N 3.39Å
545K96Very high89.5Confident134 Ų13450.6 Ų50.658%0.58324%0.242SC*.Hα-helixtrans-57.4-44.8176.8-178178.4179.5177.50111.8E541 L547 Q548 Q549E541-K545 WeakPolarHBondContact O-CB 3.46Å; E541-K545 PolarHBondContact O-N 2.84Å; K545-L547 VanDerWaalsContact C-N 3.33Å; K545-L547 PolarHBondContact O-N 2.97Å; K545-Q548 PolarHBondContact O-N 3.45Å; K545-Q549 WeakPolarHBondContact O-CG 3.48Å; K545-Q549 PolarHBondContact O-N 3.26Å
546A95.1Very high87.8Confident27 Ų2756.1 Ų56.122%0.22328%0.276CS..Hα-helixtrans-65.3-37.1177.700000112.1K542 S543 W544 R550K542-A546 WeakPolarHBondContact O-CB 3.28Å; K542-A546 PolarHBondContact O-N 3.16Å; K542-A546 VanDerWaalsContact O-N 3.12Å; S543-A546 PolarHBondContact O-N 3.12Å; W544-A546 VanDerWaalsContact C-N 3.31Å; W544-A546 PolarHBondContact O-N 3.07Å; A546-R550 PolarHBondContact O-N 3.43Å; A546-R550 PolarHBondContact O-NH1 2.93Å
547L95Very high85.6Confident0 Ų061.6 Ų61.60%031%0.309CS..Hα-helixtrans-65-46.7174.6175.462.9000111.5Y322 I324 V442 S543 W544 K545 Q549 R550 L551Y322-L547 HydrophobicContact CD1-CD1 4.1Å; Y322-L547 HydrophobicContact CE1-CD1 3.67Å; I324-L547 HydrophobicContact CD1-CD2 3.59Å; V442-L547 HydrophobicContact CG1-CD2 4.08Å; V442-L547 HydrophobicContact CG2-CD2 4.41Å; S543-L547 WeakPolarHBondContact O-CB 3.47Å; S543-L547 PolarHBondContact O-N 3.35Å; W544-L547 HydrophobicContact CE3-CD2 3.88Å; W544-L547 HydrophobicContact CZ3-CD2 3.74Å; W544-L547 WeakPolarHBondContact O-CB 3.5Å; W544-L547 PolarHBondContact O-N 3.14Å; W544-L547 VanDerWaalsContact O-N 3.1Å; K545-L547 VanDerWaalsContact C-N 3.33Å; K545-L547 PolarHBondContact O-N 2.97Å; L547-Q549 VanDerWaalsContact C-N 3.3Å; L547-Q549 PolarHBondContact O-N 2.98Å; L547-R550 WeakPolarHBondContact O-CA 3.45Å; L547-R550 WeakPolarHBondContact O-CB 3.37Å; L547-R550 PolarHBondContact O-N 2.88Å; L547-L551 HydrophobicContact CD1-CD1 4.21Å; L547-L551 HydrophobicContact CD1-CD2 4.27Å; L547-L551 HydrophobicContact CD1-CG 4Å; L547-L551 HydrophobicContact CG-CD1 3.99Å; L547-L551 HydrophobicContact CG-CG 4.21Å; L547-L551 WeakPolarHBondContact O-CG 3.35Å; L547-L551 PolarHBondContact O-N 2.79Å
548Q93Very high83.2Confident52 Ų5266.4 Ų66.424%0.24333%0.332CS..Hα-helixtrans-55.1-46.2178.5-71.6-178.8-55.500111.8W544 K545 R550 L551 E552W544-Q548 HydrophobicContact CD2-CG 4.14Å; W544-Q548 HydrophobicContact CH2-CG 4.47Å; W544-Q548 HydrophobicContact CZ2-CG 3.92Å; W544-Q548 VanDerWaalsContact NE1-CD 3.25Å; W544-Q548 WeakPolarHBondContact O-CG 3.44Å; W544-Q548 PolarHBondContact O-N 3.39Å; K545-Q548 PolarHBondContact O-N 3.45Å; Q548-R550 VanDerWaalsContact C-N 3.29Å; Q548-R550 PolarHBondContact O-N 2.86Å; Q548-L551 PolarHBondContact O-N 3.16Å; Q548-L551 VanDerWaalsContact O-N 3.15Å; Q548-E552 WeakPolarHBondContact O-CG 3.43Å; Q548-E552 PolarHBondContact O-N 3.3Å
549Q92.2Very high82.7Confident103 Ų10364.9 Ų64.948%0.48133%0.329SS..Hα-helixtrans-58.2-39.1175.7-69.8174-15.600112.7K545 L547 L553K545-Q549 WeakPolarHBondContact O-CG 3.48Å; K545-Q549 PolarHBondContact O-N 3.26Å; L547-Q549 VanDerWaalsContact C-N 3.3Å; L547-Q549 PolarHBondContact O-N 2.98Å; Q549-L553 WeakPolarHBondContact O-CG 3.31Å; Q549-L553 PolarHBondContact O-N 3.28Å
550R90.6Very high82.1Confident47 Ų4768.1 Ų68.118%0.17735%0.346CS..Hα-helixtrans-68.5-42.7176-69.7-169.4-61.7-79.38.4111.9E461 A546 L547 Q548 E552 L553 I554E461-R550 IonicContact OE1-CZ 3.16Å; E461-R550 IonicContact OE1-NE 3.55Å; E461-R550 PolarHBondContact OE1-NE 2.9Å; E461-R550 IonicContact OE1-NH2 3.55Å; E461-R550 PolarHBondContact OE1-NH2 2.92Å; E461-R550 IonicContact OE2-NH2 3.47Å; E461-R550 PolarHBondContact OE2-NH2 3.22Å; A546-R550 PolarHBondContact O-N 3.43Å; A546-R550 PolarHBondContact O-NH1 2.93Å; L547-R550 WeakPolarHBondContact O-CA 3.45Å; L547-R550 WeakPolarHBondContact O-CB 3.37Å; L547-R550 PolarHBondContact O-N 2.88Å; Q548-R550 VanDerWaalsContact C-N 3.29Å; Q548-R550 PolarHBondContact O-N 2.86Å; R550-E552 VanDerWaalsContact C-N 3.31Å; R550-E552 PolarHBondContact O-N 2.97Å; R550-L553 PolarHBondContact O-N 3.44Å; R550-I554 WeakPolarHBondContact O-CG1 3.47Å; R550-I554 PolarHBondContact O-N 3.35Å
551L88Confident81.3Confident11 Ų1171.9 Ų71.96%0.05837%0.365CS..Hα-helixtrans-63.3-38.7178.8-65.1179.6000111.4Y322 V442 L547 Q548 I554 T555Y322-L551 HydrophobicContact CD2-CD2 3.52Å; Y322-L551 HydrophobicContact CE2-CD2 3.9Å; Y322-L551 HydrophobicContact CG-CD2 3.91Å; V442-L551 HydrophobicContact CG2-CD1 3.79Å; L547-L551 HydrophobicContact CD1-CD1 4.21Å; L547-L551 HydrophobicContact CD1-CD2 4.27Å; L547-L551 HydrophobicContact CD1-CG 4Å; L547-L551 HydrophobicContact CG-CD1 3.99Å; L547-L551 HydrophobicContact CG-CG 4.21Å; L547-L551 WeakPolarHBondContact O-CG 3.35Å; L547-L551 PolarHBondContact O-N 2.79Å; Q548-L551 PolarHBondContact O-N 3.16Å; Q548-L551 VanDerWaalsContact O-N 3.15Å; L551-I554 PolarHBondContact O-N 3.4Å; L551-T555 PolarHBondContact O-N 3.21Å; L551-T555 PolarHBondContact O-OG1 3.5Å
552E83.3Confident80.5Confident122 Ų12270.5 Ų70.557%0.5736%0.36SS*.Hα-helixtrans-63.4-42.7176-73.4169-174.300112.8Q548 R550 I554 T555 T556Q548-E552 WeakPolarHBondContact O-CG 3.43Å; Q548-E552 PolarHBondContact O-N 3.3Å; R550-E552 VanDerWaalsContact C-N 3.31Å; R550-E552 PolarHBondContact O-N 2.97Å; E552-I554 VanDerWaalsContact C-N 3.32Å; E552-I554 PolarHBondContact O-N 3.25Å; E552-T555 PolarHBondContact O-N 3.26Å; E552-T556 PolarHBondContact O-N 2.87Å; E552-T556 VanDerWaalsContact O-N 3.1Å; E552-T556 PolarHBondContact O-OG1 3.26Å; E552-T556 VanDerWaalsContact O-OG1 3.07Å
553L75.6Confident79.5Confident122 Ų12271.5 Ų71.564%0.63937%0.368SS*.Hα-helixtrans-63.9-35.1177.4-71171.2000112.9Q549 R550 T555 T557Q549-L553 WeakPolarHBondContact O-CG 3.31Å; Q549-L553 PolarHBondContact O-N 3.28Å; R550-L553 PolarHBondContact O-N 3.44Å; L553-T555 VanDerWaalsContact C-N 3.34Å; L553-T557 PolarHBondContact O-N 2.72Å; L553-T557 PolarHBondContact O-OG1 3.11Å
554I67.7Low78.4Confident56 Ų5676.2 Ų76.229%0.28739%0.392SS..Hα-helixtrans-67.5-37.5176.4-66.1164.6000110.6R550 L551 E552 T557R550-I554 WeakPolarHBondContact O-CG1 3.47Å; R550-I554 PolarHBondContact O-N 3.35Å; L551-I554 PolarHBondContact O-N 3.4Å; E552-I554 VanDerWaalsContact C-N 3.32Å; E552-I554 PolarHBondContact O-N 3.25Å; I554-T557 PolarHBondContact O-OG1 3.27Å
555T59.8Low77Confident66 Ų6680.4 Ų80.441%0.40542%0.416SS..Hα-helixtrans-73.4-32.4179.3-43.30000112.5L551 E552 L553 T557L551-T555 PolarHBondContact O-N 3.21Å; L551-T555 PolarHBondContact O-OG1 3.5Å; E552-T555 PolarHBondContact O-N 3.26Å; L553-T555 VanDerWaalsContact C-N 3.34Å; T555-T557 VanDerWaalsContact C-N 3.32Å
556T53.8Low75.6Confident119 Ų11976.3 Ų76.373%0.7340%0.403SS*.Hα-helixtrans-78.5-16.2-179.7-48.30000113.1E552E552-T556 PolarHBondContact O-N 2.87Å; E552-T556 VanDerWaalsContact O-N 3.1Å; E552-T556 PolarHBondContact O-OG1 3.26Å; E552-T556 VanDerWaalsContact O-OG1 3.07Å
557T47.3Very low74Confident120 Ų12080.4 Ų80.474%0.73642%0.418SS*.THydrogen-bonded Turntrans-94.5-4.6179.442.60000113.9L553 I554 T555L553-T557 PolarHBondContact O-N 2.72Å; L553-T557 PolarHBondContact O-OG1 3.11Å; I554-T557 PolarHBondContact O-OG1 3.27Å; T555-T557 VanDerWaalsContact C-N 3.32Å
558Q41.6Very low72.1Confident147 Ų14787.7 Ų87.769%0.68746%0.456SS*.  trans-102.40170.8-67.6179.114.700109.7N316N316-Q558 PolarHBondContact O-NE2 2.89Å; N316-Q558 PolarHBondContact O-OE1 3Å

Retrieved 558 of 558 residues in 403.4 ms (Link to these results)

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