A0A077Z6J2_TRITR Loading...

Iron dependent peroxidase

AlphaFold DB , UniProt , Accession A0A077Z6J2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 288 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
1M57.8Low84.7Confident19 Ų1947.7 Ų47.79%0.09426%0.261CS..  0-700-78.1-106.4-65.700111.6D3 H57 V59 P275 K277 L280M1-D3 PolarHBondContact N-OD2 2.88Å; M1-D3 PolarHBondContact O-N 3.05Å; M1-H57 PolarHBondContact N-O 2.98Å; M1-V59 HydrophobicContact SD-CG1 3.67Å; M1-P275 HydrophobicContact CE-CG 3.88Å; M1-K277 HydrophobicContact CB-CG 4.14Å; M1-L280 HydrophobicContact CE-CB 3.3Å; M1-L280 HydrophobicContact CE-CD1 4.08Å; M1-L280 HydrophobicContact CE-CD2 3.18Å; M1-L280 HydrophobicContact CE-CG 3.64Å; M1-L280 HydrophobicContact CG-CD2 4.3Å; M1-L280 HydrophobicContact SD-CD2 3.71Å
2L60.8Low85.8Confident31 Ų3146 Ų4616%0.16225%0.251CS..Hα-helixtrans-75-10.6169.2-70.7174.9000113.9D4 V5 L6 L161 G166L2-D4 PolarHBondContact O-N 2.91Å; L2-D4 VanDerWaalsContact O-N 3.17Å; L2-V5 HydrophobicContact CD2-CB 4.31Å; L2-V5 HydrophobicContact CD2-CG2 3.93Å; L2-V5 PolarHBondContact O-N 3.23Å; L2-V5 VanDerWaalsContact O-N 3.16Å; L2-L6 PolarHBondContact O-N 3.05Å; L2-L161 HydrophobicContact CD2-CD2 3.93Å; L2-G166 VanDerWaalsContact CD1-O 3.27Å; L2-G166 WeakPolarHBondContact CD1-O 3.1Å
3D75.6Confident86.7Confident71 Ų7142.5 Ų42.538%0.3823%0.232SC..Hα-helixtrans-58.3-29.7179.1-46.7-67000110.8M1 S7 V56 K277M1-D3 PolarHBondContact N-OD2 2.88Å; M1-D3 PolarHBondContact O-N 3.05Å; D3-S7 WeakPolarHBondContact O-CB 3.15Å; D3-S7 PolarHBondContact O-N 3.4Å; D3-S7 PolarHBondContact O-OG 2.84Å; D3-V56 VanDerWaalsContact C-CG1 3.45Å; D3-V56 HydrophobicContact CB-CG1 4.12Å; D3-V56 WeakPolarHBondContact O-CG1 3.47Å; D3-K277 IonicContact OD1-NZ 3.05Å; D3-K277 PolarHBondContact OD1-NZ 3.21Å; D3-K277 VanDerWaalsContact OD2-CE 3.31Å; D3-K277 WeakPolarHBondContact OD2-CE 3.46Å; D3-K277 IonicContact OD2-NZ 2.74Å; D3-K277 PolarHBondContact OD2-NZ 3.43Å
4D88Confident87.5Confident0 Ų039.4 Ų39.40%022%0.215CC..Hα-helixtrans-76.7-43.9173.818061.3000114.4L2 L6 S7 V56 H100 K102 Q216L2-D4 PolarHBondContact O-N 2.91Å; L2-D4 VanDerWaalsContact O-N 3.17Å; D4-L6 VanDerWaalsContact C-N 3.28Å; D4-L6 PolarHBondContact O-N 3.42Å; D4-S7 WeakPolarHBondContact CA-OG 3.43Å; D4-S7 PolarHBondContact O-N 2.98Å; D4-S7 PolarHBondContact O-OG 3.35Å; D4-S7 VanDerWaalsContact O-OG 3.08Å; D4-V56 HydrophobicContact CB-CG1 4.37Å; D4-H100 IonicContact OD1-CE1 2.76Å; D4-H100 PolarHBondContact OD1-CE1 3.46Å; D4-H100 IonicContact OD1-ND1 2.69Å; D4-H100 PolarHBondContact OD1-ND1 3.28Å; D4-H100 IonicContact OD2-CE1 3.8Å; D4-H100 IonicContact OD2-CG 2.75Å; D4-H100 IonicContact OD2-ND1 3.74Å; D4-H100 PolarHBondContact OD2-ND1 3.04Å; D4-K102 PolarHBondContact O-NZ 2.9Å; D4-K102 WeakPolarHBondContact OD1-CE 3.41Å; D4-K102 IonicContact OD1-NZ 3.18Å; D4-Q216 PolarHBondContact O-NE2 3.1Å
5V93.2Very high88.2Confident0 Ų036.9 Ų36.90%020%0.201CC..Hα-helixtrans-55.7-42.7-175.8177.30000111.8L2 C160 L161 Y214 Q216 F234 F274L2-V5 HydrophobicContact CD2-CB 4.31Å; L2-V5 HydrophobicContact CD2-CG2 3.93Å; L2-V5 PolarHBondContact O-N 3.23Å; L2-V5 VanDerWaalsContact O-N 3.16Å; V5-C160 HydrophobicContact CG1-CB 3.99Å; V5-L161 HydrophobicContact CG1-CD2 4.1Å; V5-Y214 WeakPolarHBondContact O-CD1 3.46Å; V5-Y214 VanDerWaalsContact O-CE1 3.3Å; V5-Y214 WeakPolarHBondContact O-CE1 3.43Å; V5-Q216 PolarHBondContact O-NE2 2.01Å; V5-F234 HydrophobicContact CB-CD1 4.28Å; V5-F234 HydrophobicContact CB-CE1 4.38Å; V5-F234 HydrophobicContact CB-CG 4.49Å; V5-F234 HydrophobicContact CG1-CB 3.99Å; V5-F234 HydrophobicContact CG1-CD1 3.83Å; V5-F234 HydrophobicContact CG1-CD2 4.47Å; V5-F234 HydrophobicContact CG1-CE1 4.42Å; V5-F234 HydrophobicContact CG1-CG 3.84Å; V5-F234 HydrophobicContact CG2-CD1 3.99Å; V5-F234 HydrophobicContact CG2-CE1 3.81Å; V5-F234 HydrophobicContact CG2-CZ 4.36Å; V5-F274 HydrophobicContact CG2-CB 4.19Å; V5-F274 HydrophobicContact CG2-CD1 4.03Å; V5-F274 HydrophobicContact CG2-CG 4.32Å
6L94.5Very high88.9Confident42 Ų4234.6 Ų34.622%0.2219%0.189CC..Hα-helixtrans-104.3-9.2-173.4-57.9-179.6000114.4L2 D4 R156 C160 L161L2-L6 PolarHBondContact O-N 3.05Å; D4-L6 VanDerWaalsContact C-N 3.28Å; D4-L6 PolarHBondContact O-N 3.42Å; L6-R156 HydrophobicContact CD2-CB 4Å; L6-R156 PolarHBondContact O-NH1 3.01Å; L6-C160 HydrophobicContact CD2-CB 3.77Å; L6-L161 HydrophobicContact CD1-CD1 4.13Å; L6-L161 HydrophobicContact CD2-CD2 4.27Å; L6-L161 HydrophobicContact CD2-CG 4.41Å
7S92.6Very high89.4Confident26 Ų2632.9 Ų32.918%0.18218%0.179CC..PPolyproline II helixtrans-75.1158.5-175.146.40000113.1D3 D4 V56 K102 Y214D3-S7 WeakPolarHBondContact O-CB 3.15Å; D3-S7 PolarHBondContact O-N 3.4Å; D3-S7 PolarHBondContact O-OG 2.84Å; D4-S7 WeakPolarHBondContact CA-OG 3.43Å; D4-S7 PolarHBondContact O-N 2.98Å; D4-S7 PolarHBondContact O-OG 3.35Å; D4-S7 VanDerWaalsContact O-OG 3.08Å; S7-V56 VanDerWaalsContact OG-CG1 3.32Å; S7-V56 WeakPolarHBondContact OG-CG1 3.24Å; S7-K102 PolarHBondContact O-NZ 3.41Å; S7-K102 WeakPolarHBondContact OG-CE 2.93Å; S7-K102 PolarHBondContact OG-NZ 2.91Å; S7-Y214 PolarHBondContact O-OH 2.86Å
8D88.9Confident89.9Confident89 Ų8931.1 Ų31.148%0.47617%0.169SC..PPolyproline II helixtrans-65.3168.1167-60-40.4000112K102 R156D8-K102 WeakPolarHBondContact O-CE 3.14Å; D8-K102 PolarHBondContact O-NZ 3.4Å; D8-R156 IonicContact OD1-CZ 3.58Å; D8-R156 VanDerWaalsContact OD1-CZ 3.24Å; D8-R156 IonicContact OD1-NH1 3.55Å; D8-R156 PolarHBondContact OD1-NH1 3.39Å; D8-R156 IonicContact OD1-NH2 2.76Å; D8-R156 PolarHBondContact OD1-NH2 3.48Å
9G88.8Confident90.4Very high54 Ų5432.5 Ų32.556%0.55717%0.174SC*.PPolyproline II helixtrans-67.7160174.800000113.4
10R94.6Very high90.8Very high68 Ų6832 Ų3226%0.25717%0.171SC..  trans-120.7172.8164.8-58.6-64-169.21753.7109.3N12 L51 K102 V134 M218R10-N12 PolarHBondContact O-N 2.85Å; R10-L51 PolarHBondContact NH2-O 2.95Å; R10-K102 HydrophobicContact CB-CB 3.87Å; R10-K102 HydrophobicContact CG-CB 3.62Å; R10-V134 WeakPolarHBondContact O-CG2 3.16Å; R10-M218 WeakPolarHBondContact O-CE 3.15Å
11K96.6Very high91.1Very high125 Ų12534.6 Ų34.654%0.54318%0.181SC..SBendtrans-62.3-27.7-179.4-68.7177.1-176.11280114D104 F133 V134K11-D104 HydrophobicContact CB-CB 4.44Å; K11-D104 HydrophobicContact CD-CB 4.21Å; K11-D104 WeakPolarHBondContact CD-OD2 3.29Å; K11-D104 VanDerWaalsContact CE-OD2 3.29Å; K11-D104 WeakPolarHBondContact CE-OD2 3.26Å; K11-D104 HydrophobicContact CG-CB 4.46Å; K11-D104 WeakPolarHBondContact CG-OD1 3.42Å; K11-D104 PolarHBondContact N-OD1 2.73Å; K11-D104 IonicContact NZ-OD2 2.76Å; K11-D104 PolarHBondContact NZ-OD2 3.29Å; K11-F133 CarbonylContact O-C 3.53Å; K11-F133 WeakPolarHBondContact O-CA 3.46Å; K11-V134 PolarHBondContact O-N 2.87Å
12N97.9Very high92.9Very high27 Ų2744 Ų4414%0.14422%0.222CC..EExtended strand (participates in β ladder)trans-133.2153.7179.2-45-92.6000110.5R10 K102 S103 D104 R106 L109 G132R10-N12 PolarHBondContact O-N 2.85Å; N12-K102 WeakPolarHBondContact O-CA 3.18Å; N12-S103 WeakPolarHBondContact CB-O 3.43Å; N12-S103 PolarHBondContact N-O 2.77Å; N12-S103 VanDerWaalsContact N-O 3.07Å; N12-S103 PolarHBondContact ND2-O 3.44Å; N12-S103 VanDerWaalsContact ND2-O 3.15Å; N12-S103 PolarHBondContact O-N 2.81Å; N12-S103 VanDerWaalsContact O-N 3.09Å; N12-D104 PolarHBondContact ND2-O 2.91Å; N12-R106 HydrophobicContact CB-CB 4.5Å; N12-L109 HydrophobicContact CB-CD1 3.56Å; N12-G132 VanDerWaalsContact CA-O 3.3Å; N12-G132 WeakPolarHBondContact CA-O 3.43Å
13G97.7Very high94.5Very high0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-133.7141.5175.200000110.9A101 Y131 G132 M218G13-A101 CarbonylContact C-O 3.44Å; G13-A101 VanDerWaalsContact CA-O 3.25Å; G13-A101 WeakPolarHBondContact CA-O 3.39Å; G13-Y131 CarbonylContact O-C 3.12Å; G13-Y131 VanDerWaalsContact O-CA 3.24Å; G13-Y131 WeakPolarHBondContact O-CA 3.25Å; G13-G132 PolarHBondContact N-O 3.46Å; G13-G132 PolarHBondContact O-N 2.99Å; G13-M218 VanDerWaalsContact CA-SD 3.54Å; G13-M218 PolarHBondContact N-SD 2.81Å
14L98.3Very high95.5Very high0 Ų044.3 Ų44.30%025%0.246CC..EExtended strand (participates in β ladder)trans-99.6131170.1169.966.5000108.2L16 H100 A101 L109 F112 D129 Y131L14-L16 HydrophobicContact CD1-CB 4.15Å; L14-L16 HydrophobicContact CD2-CB 4.38Å; L14-L16 HydrophobicContact CG-CB 4.16Å; L14-H100 WeakPolarHBondContact O-CA 3.43Å; L14-H100 PolarHBondContact O-CD2 3.3Å; L14-H100 VanDerWaalsContact O-CD2 3.3Å; L14-A101 HydrophobicContact CB-CB 4.24Å; L14-A101 HydrophobicContact CD2-CB 4.37Å; L14-A101 PolarHBondContact N-O 3.4Å; L14-A101 PolarHBondContact O-N 3.4Å; L14-A101 VanDerWaalsContact O-N 3.13Å; L14-L109 HydrophobicContact CB-CB 4.22Å; L14-L109 HydrophobicContact CB-CD2 3.92Å; L14-L109 HydrophobicContact CB-CG 4.45Å; L14-F112 HydrophobicContact CD2-CD1 4.16Å; L14-D129 HydrophobicContact CD1-CB 3.97Å; L14-Y131 HydrophobicContact CD1-CD1 4.22Å; L14-Y131 HydrophobicContact CD1-CE1 3.66Å
15F98.2Very high95.9Very high1 Ų147.2 Ų47.20%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-121.7104.9169.8-66.8-116000107.2W17 F98 H100 D129 I130 M218 L230 I232F15-W17 HydrophobicContact CB-CE3 4.34Å; F15-W17 HydrophobicContact CB-CH2 3.33Å; F15-W17 HydrophobicContact CB-CZ2 4.03Å; F15-W17 HydrophobicContact CB-CZ3 3.5Å; F15-W17 HydrophobicContact CD1-CH2 4.05Å; F15-W17 HydrophobicContact CD1-CZ2 4.19Å; F15-W17 HydrophobicContact CG-CH2 4.09Å; F15-W17 VanDerWaalsContact O-CZ3 3.25Å; F15-W17 WeakPolarHBondContact O-CZ3 3.5Å; F15-F98 HydrophobicContact CB-CE2 4.07Å; F15-F98 HydrophobicContact CB-CZ 4.47Å; F15-F98 HydrophobicContact CD1-CE2 4.07Å; F15-F98 AromaticContact CD1-CZ 3.71Å; F15-F98 HydrophobicContact CD1-CZ 3.71Å; F15-F98 HydrophobicContact CE1-CZ 4.4Å; F15-F98 HydrophobicContact CG-CE2 4.49Å; F15-F98 HydrophobicContact CG-CZ 4.4Å; F15-H100 AromaticContact CE1-CD2 3.97Å; F15-H100 AromaticContact CE2-CD2 3.81Å; F15-H100 AromaticContact CE2-NE2 3.7Å; F15-H100 AromaticContact CZ-CD2 3.76Å; F15-H100 AromaticContact CZ-NE2 3.56Å; F15-D129 WeakPolarHBondContact O-CA 3.47Å; F15-I130 PolarHBondContact N-O 2.76Å; F15-I130 PolarHBondContact O-N 3.29Å; F15-M218 HydrophobicContact CE2-CB 4.32Å; F15-L230 HydrophobicContact CB-CD1 4.21Å; F15-L230 HydrophobicContact CD1-CB 3.91Å; F15-L230 HydrophobicContact CD1-CD1 4.34Å; F15-L230 HydrophobicContact CD2-CB 4.15Å; F15-L230 HydrophobicContact CD2-CD1 3.35Å; F15-L230 HydrophobicContact CD2-CG 4.35Å; F15-L230 HydrophobicContact CE1-CB 3.64Å; F15-L230 HydrophobicContact CE2-CB 3.93Å; F15-L230 HydrophobicContact CE2-CD1 3.72Å; F15-L230 HydrophobicContact CE2-CG 4.48Å; F15-L230 HydrophobicContact CG-CB 4.17Å; F15-L230 HydrophobicContact CG-CD1 3.73Å; F15-L230 HydrophobicContact CG-CG 4.45Å; F15-L230 HydrophobicContact CZ-CB 3.67Å; F15-L230 HydrophobicContact CZ-CD1 4.34Å; F15-I232 HydrophobicContact CE1-CB 3.79Å; F15-I232 HydrophobicContact CE1-CD1 4.47Å; F15-I232 HydrophobicContact CE1-CG2 3.63Å; F15-I232 HydrophobicContact CZ-CB 4.4Å; F15-I232 HydrophobicContact CZ-CG2 3.72Å
16L98.3Very high96Very high0 Ų049.4 Ų49.40%028%0.281CS..EExtended strand (participates in β ladder)trans-116.6110.6-175.816862.8000109.6L14 I18 F98 V99 T117 F127 N128 D129L14-L16 HydrophobicContact CD1-CB 4.15Å; L14-L16 HydrophobicContact CD2-CB 4.38Å; L14-L16 HydrophobicContact CG-CB 4.16Å; L16-I18 HydrophobicContact CD1-CD1 4.47Å; L16-I18 HydrophobicContact CD1-CG1 4.01Å; L16-I18 HydrophobicContact CD2-CD1 4.03Å; L16-I18 HydrophobicContact CD2-CG1 4.41Å; L16-I18 HydrophobicContact CG-CD1 4.07Å; L16-I18 HydrophobicContact CG-CG1 3.9Å; L16-F98 CarbonylContact O-C 3.52Å; L16-F98 WeakPolarHBondContact O-CA 3.47Å; L16-V99 HydrophobicContact CB-CB 4.14Å; L16-V99 HydrophobicContact CD2-CB 4.22Å; L16-V99 HydrophobicContact CD2-CG2 4.37Å; L16-V99 HydrophobicContact CG-CB 4.43Å; L16-V99 PolarHBondContact N-O 2.91Å; L16-V99 PolarHBondContact O-N 3.27Å; L16-T117 HydrophobicContact CD1-CG2 4.14Å; L16-T117 HydrophobicContact CD2-CG2 4.08Å; L16-F127 HydrophobicContact CD1-CB 4.17Å; L16-F127 HydrophobicContact CD1-CD2 3.72Å; L16-F127 HydrophobicContact CD1-CG 4.35Å; L16-N128 WeakPolarHBondContact CA-O 3.31Å; L16-D129 HydrophobicContact CD1-CB 4.11Å
17W98.3Very high96.1Very high7 Ų750.9 Ų50.93%0.02729%0.285CS..EExtended strand (participates in β ladder)trans-97.1130174.3-63.5-87.2000109.6F15 F98 F127 N128 I130 S172 L230 Q268 W272F15-W17 HydrophobicContact CB-CE3 4.34Å; F15-W17 HydrophobicContact CB-CH2 3.33Å; F15-W17 HydrophobicContact CB-CZ2 4.03Å; F15-W17 HydrophobicContact CB-CZ3 3.5Å; F15-W17 HydrophobicContact CD1-CH2 4.05Å; F15-W17 HydrophobicContact CD1-CZ2 4.19Å; F15-W17 HydrophobicContact CG-CH2 4.09Å; F15-W17 VanDerWaalsContact O-CZ3 3.25Å; F15-W17 WeakPolarHBondContact O-CZ3 3.5Å; W17-F98 AromaticContact CD1-CD2 3.54Å; W17-F98 HydrophobicContact CD2-CD2 4.15Å; W17-F98 HydrophobicContact CD2-CE2 4.13Å; W17-F98 AromaticContact CE2-CD2 3.82Å; W17-F98 AromaticContact CE2-CE2 3.56Å; W17-F98 HydrophobicContact CG-CD2 4.02Å; W17-F98 HydrophobicContact CG-CE2 4.48Å; W17-F98 HydrophobicContact CH2-CE2 4.5Å; W17-F98 AromaticContact CZ2-CE2 3.79Å; W17-F98 HydrophobicContact CZ2-CE2 3.79Å; W17-F98 AromaticContact NE1-CD2 3.39Å; W17-F98 AromaticContact NE1-CE2 3.53Å; W17-F127 CarbonylContact O-C 3.59Å; W17-F127 WeakPolarHBondContact O-CA 3.33Å; W17-F127 WeakPolarHBondContact O-CB 3.37Å; W17-N128 PolarHBondContact N-O 2.79Å; W17-N128 PolarHBondContact O-N 2.84Å; W17-I130 HydrophobicContact CH2-CD1 4.46Å; W17-I130 HydrophobicContact CZ3-CB 4.22Å; W17-I130 HydrophobicContact CZ3-CD1 3.97Å; W17-I130 HydrophobicContact CZ3-CG1 3.97Å; W17-S172 PolarHBondContact NE1-OG 2.99Å; W17-L230 HydrophobicContact CH2-CD2 4.18Å; W17-Q268 VanDerWaalsContact CH2-NE2 3.26Å; W17-W272 AromaticContact CD1-CZ2 3.48Å; W17-W272 VanDerWaalsContact CD1-CZ2 3.48Å; W17-W272 AromaticContact NE1-CZ2 3.94Å
18I98.6Very high96.3Very high0 Ų051.3 Ų51.30%029%0.288CS..EExtended strand (participates in β ladder)trans-125.3127.1-178.5-52.7178.5000109.3L16 L20 D96 L97 I116 I120 I124 F127L16-I18 HydrophobicContact CD1-CD1 4.47Å; L16-I18 HydrophobicContact CD1-CG1 4.01Å; L16-I18 HydrophobicContact CD2-CD1 4.03Å; L16-I18 HydrophobicContact CD2-CG1 4.41Å; L16-I18 HydrophobicContact CG-CD1 4.07Å; L16-I18 HydrophobicContact CG-CG1 3.9Å; I18-L20 HydrophobicContact CG2-CD2 4.11Å; I18-D96 PolarHBondContact O-N 2.92Å; I18-L97 HydrophobicContact CB-CB 4.17Å; I18-L97 HydrophobicContact CD1-CD1 4.43Å; I18-L97 PolarHBondContact N-O 3.07Å; I18-L97 PolarHBondContact O-N 3.2Å; I18-I116 HydrophobicContact CD1-CG2 4.39Å; I18-I120 HydrophobicContact CD1-CD1 4.15Å; I18-I124 HydrophobicContact CG2-CD1 4Å; I18-I124 HydrophobicContact CG2-CG1 3.73Å; I18-I124 HydrophobicContact CG2-CG2 4.2Å; I18-F127 HydrophobicContact CG1-CB 4.18Å
19H98.5Very high96.7Very high58 Ų5847.1 Ų47.127%0.26927%0.265SS..EExtended strand (participates in β ladder)trans-105.9126.6166.3-67-93.3000109S93 G95 D96 E125 T126H19-S93 PolarHBondContact CE1-O 2.72Å; H19-G95 WeakPolarHBondContact CE1-CA 3.35Å; H19-G95 PolarHBondContact CE1-N 3.13Å; H19-D96 WeakPolarHBondContact CA-OD2 3.33Å; H19-E125 PolarHBondContact O-N 2.74Å; H19-T126 PolarHBondContact N-O 3.19Å; H19-T126 PolarHBondContact O-N 3.2Å; H19-T126 VanDerWaalsContact O-O 3.11Å
20L98.4Very high97.1Very high22 Ų2244.6 Ų44.612%0.11524%0.239CC..EExtended strand (participates in β ladder)trans-90.7154.6-179.9-60.5170.5000110.7I18 A24 I29 F65 D96 F123 I124I18-L20 HydrophobicContact CG2-CD2 4.11Å; L20-A24 HydrophobicContact CB-CB 4.28Å; L20-I29 HydrophobicContact CD1-CD1 3.64Å; L20-I29 HydrophobicContact CD2-CD1 3.87Å; L20-I29 HydrophobicContact CD2-CG1 4.43Å; L20-I29 HydrophobicContact CG-CD1 4.35Å; L20-F65 HydrophobicContact CD1-CD2 3.63Å; L20-F65 HydrophobicContact CD1-CE2 3.47Å; L20-F65 VanDerWaalsContact CD1-CE2 3.47Å; L20-F65 HydrophobicContact CD1-CZ 4.47Å; L20-D96 HydrophobicContact CB-CB 4.36Å; L20-D96 HydrophobicContact CD1-CB 3.72Å; L20-D96 HydrophobicContact CG-CB 3.83Å; L20-D96 PolarHBondContact N-OD2 2.89Å; L20-F123 CarbonylContact C-O 3.5Å; L20-F123 VanDerWaalsContact CA-O 3.29Å; L20-F123 WeakPolarHBondContact CA-O 3.26Å; L20-F123 HydrophobicContact CD2-CB 4.17Å; L20-I124 HydrophobicContact CD2-CG1 4.49Å
21K98.2Very high97.2Very high87 Ų8745.2 Ų45.238%0.37825%0.245SC..PPolyproline II helixtrans-63.6143.7172-68.3177.1-175.9161.70109.9G23 A24 E122 F123 I124 E125K21-G23 PolarHBondContact O-N 2.97Å; K21-A24 VanDerWaalsContact O-CB 3.26Å; K21-A24 WeakPolarHBondContact O-CB 3.41Å; K21-A24 PolarHBondContact O-N 3.12Å; K21-E122 WeakPolarHBondContact CD-O 3.48Å; K21-E122 WeakPolarHBondContact CE-O 3.36Å; K21-E122 PolarHBondContact NZ-O 3.05Å; K21-F123 PolarHBondContact N-O 3.19Å; K21-I124 WeakPolarHBondContact CE-O 3.2Å; K21-E125 HydrophobicContact CG-CB 4.03Å
22K95.5Very high97.2Very high216 Ų21639.9 Ų39.994%0.93922%0.223SC*.THydrogen-bonded Turntrans-57.1124171.6-174.8177.1-179.4178.40110
23G94.1Very high97.2Very high82 Ų8239 Ų3985%0.84522%0.218SC*.THydrogen-bonded Turntrans80.912.7-178.800000114.7K21 S25K21-G23 PolarHBondContact O-N 2.97Å; G23-S25 PolarHBondContact O-N 3.36Å
24A96.4Very high97.1Very high26 Ų2642.9 Ų42.922%0.21524%0.239CC..  trans-54.3134.1169.200000110.8L20 K21 I29 F123L20-A24 HydrophobicContact CB-CB 4.28Å; K21-A24 VanDerWaalsContact O-CB 3.26Å; K21-A24 WeakPolarHBondContact O-CB 3.41Å; K21-A24 PolarHBondContact O-N 3.12Å; A24-I29 HydrophobicContact CB-CD1 4.17Å; A24-F123 HydrophobicContact CB-CB 3.97Å; A24-F123 HydrophobicContact CB-CD1 3.95Å; A24-F123 HydrophobicContact CB-CG 4.37Å
25S95.7Very high96.9Very high62 Ų6246.3 Ų46.343%0.43426%0.255SS..  trans-69.8123.8177.4-177.60000109.7G23 K27 P28 I29G23-S25 PolarHBondContact O-N 3.36Å; S25-K27 VanDerWaalsContact C-N 3.32Å; S25-K27 PolarHBondContact O-N 3Å; S25-P28 WeakPolarHBondContact O-CD 3.5Å; S25-I29 WeakPolarHBondContact O-CD1 3.26Å
26P96Very high96.9Very high45 Ų4546.4 Ų46.429%0.29226%0.255SS..Hα-helixtrans-70-28-174.826-34.1000113.4I29 I30 V69 V287P26-I29 WeakPolarHBondContact O-CB 3.5Å; P26-I29 PolarHBondContact O-N 3.23Å; P26-I30 WeakPolarHBondContact O-CG1 3.32Å; P26-I30 PolarHBondContact O-N 2.76Å; P26-V69 HydrophobicContact CB-CG1 3.51Å; P26-V69 HydrophobicContact CG-CG1 4.4Å; P26-V287 HydrophobicContact CB-CG1 4.21Å; P26-V287 HydrophobicContact CG-CG1 4.36Å
27K96.5Very high96.7Very high73 Ų7350.1 Ų50.132%0.31727%0.273SS..Hα-helixtrans-55.2-58.7-173.9-177.1174-171.8162.90114.3S25 I29 I30 E31 V287 K288S25-K27 VanDerWaalsContact C-N 3.32Å; S25-K27 PolarHBondContact O-N 3Å; K27-I29 PolarHBondContact O-N 3.32Å; K27-I30 PolarHBondContact O-N 2.85Å; K27-E31 VanDerWaalsContact CE-OE1 3.24Å; K27-E31 WeakPolarHBondContact CE-OE1 3.22Å; K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 WeakPolarHBondContact CG-OE1 3.3Å; K27-E31 WeakPolarHBondContact O-CB 3.42Å; K27-E31 WeakPolarHBondContact O-CG 3.48Å; K27-E31 PolarHBondContact O-N 2.83Å; K27-V287 HydrophobicContact CB-CB 4.49Å; K27-V287 HydrophobicContact CB-CG2 4.49Å; K27-K288 PolarHBondContact NZ-O 3.45Å
28P96.4Very high96.6Very high36 Ų3655.3 Ų55.323%0.23430%0.3CS..Hα-helixtrans-62.9-27179.823.4-34.5000113.4S25 T32 F123S25-P28 WeakPolarHBondContact O-CD 3.5Å; P28-T32 WeakPolarHBondContact O-CB 3.45Å; P28-T32 PolarHBondContact O-N 3.22Å; P28-T32 VanDerWaalsContact O-N 3.08Å; P28-T32 PolarHBondContact O-OG1 3.07Å; P28-F123 HydrophobicContact CB-CE2 3.71Å; P28-F123 HydrophobicContact CB-CZ 4.01Å; P28-F123 HydrophobicContact CG-CD2 4.24Å; P28-F123 HydrophobicContact CG-CE1 4.01Å; P28-F123 HydrophobicContact CG-CE2 3.37Å; P28-F123 HydrophobicContact CG-CZ 3.25Å
29I97.9Very high96.6Very high1 Ų155.5 Ų55.51%0.00530%0.301CS..Hα-helixtrans-70.5-50.2176.3-64158.7000110.4L20 A24 S25 P26 K27 T32 I33 F65 L97 I120 F123L20-I29 HydrophobicContact CD1-CD1 3.64Å; L20-I29 HydrophobicContact CD2-CD1 3.87Å; L20-I29 HydrophobicContact CD2-CG1 4.43Å; L20-I29 HydrophobicContact CG-CD1 4.35Å; A24-I29 HydrophobicContact CB-CD1 4.17Å; S25-I29 WeakPolarHBondContact O-CD1 3.26Å; P26-I29 WeakPolarHBondContact O-CB 3.5Å; P26-I29 PolarHBondContact O-N 3.23Å; K27-I29 PolarHBondContact O-N 3.32Å; I29-T32 WeakPolarHBondContact O-CB 3.27Å; I29-T32 PolarHBondContact O-N 3.22Å; I29-I33 HydrophobicContact CG2-CD1 3.88Å; I29-I33 WeakPolarHBondContact O-CD1 3.49Å; I29-I33 WeakPolarHBondContact O-CG1 3.24Å; I29-I33 PolarHBondContact O-N 3.19Å; I29-F65 HydrophobicContact CG2-CE2 4.31Å; I29-F65 HydrophobicContact CG2-CZ 3.91Å; I29-L97 HydrophobicContact CG2-CD1 3.69Å; I29-I120 HydrophobicContact CB-CG2 4.49Å; I29-I120 HydrophobicContact CG1-CB 4.49Å; I29-I120 HydrophobicContact CG1-CG2 4.16Å; I29-F123 HydrophobicContact CD1-CB 3.93Å; I29-F123 HydrophobicContact CD1-CG 4.1Å; I29-F123 HydrophobicContact CG1-CB 4.14Å; I29-F123 HydrophobicContact CG1-CD2 4Å; I29-F123 HydrophobicContact CG1-CG 4.1Å
30I97.8Very high96.5Very high0 Ų052.8 Ų52.80%029%0.289CS..Hα-helixtrans-65.3-38.5178.4-67.5-61000111.4P26 K27 T32 I33 D34 F61 F65 V69 I283 V284 V287P26-I30 WeakPolarHBondContact O-CG1 3.32Å; P26-I30 PolarHBondContact O-N 2.76Å; K27-I30 PolarHBondContact O-N 2.85Å; I30-T32 PolarHBondContact O-N 2.94Å; I30-I33 HydrophobicContact CD1-CD1 4.1Å; I30-I33 WeakPolarHBondContact O-CB 3.32Å; I30-I33 PolarHBondContact O-N 3.39Å; I30-I33 VanDerWaalsContact O-N 3.16Å; I30-D34 PolarHBondContact O-N 3.35Å; I30-F61 HydrophobicContact CD1-CE2 3.96Å; I30-F61 HydrophobicContact CD1-CZ 3.86Å; I30-F65 HydrophobicContact CD1-CE1 3.83Å; I30-F65 HydrophobicContact CD1-CZ 3.87Å; I30-F65 HydrophobicContact CG1-CZ 4.39Å; I30-V69 HydrophobicContact CD1-CG2 4.39Å; I30-V69 HydrophobicContact CG1-CG1 4.39Å; I30-I283 HydrophobicContact CD1-CG2 3.83Å; I30-I283 HydrophobicContact CG1-CG2 4.25Å; I30-I283 HydrophobicContact CG2-CG2 4.11Å; I30-V284 HydrophobicContact CG2-CB 4.27Å; I30-V284 HydrophobicContact CG2-CG2 3.62Å; I30-V287 HydrophobicContact CB-CG2 3.98Å; I30-V287 HydrophobicContact CG1-CG1 4.18Å; I30-V287 HydrophobicContact CG1-CG2 4.35Å; I30-V287 HydrophobicContact CG2-CG2 3.84Å
31E96.1Very high96.4Very high82 Ų8254.3 Ų54.338%0.38330%0.297SS..Hα-helixtrans-60.2-44.3172.7-73.2171.3170.200111.1K27 I33 D34 E35K27-E31 VanDerWaalsContact CE-OE1 3.24Å; K27-E31 WeakPolarHBondContact CE-OE1 3.22Å; K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 WeakPolarHBondContact CG-OE1 3.3Å; K27-E31 WeakPolarHBondContact O-CB 3.42Å; K27-E31 WeakPolarHBondContact O-CG 3.48Å; K27-E31 PolarHBondContact O-N 2.83Å; E31-I33 VanDerWaalsContact C-N 3.28Å; E31-I33 PolarHBondContact O-N 3Å; E31-D34 PolarHBondContact O-N 2.98Å; E31-E35 WeakPolarHBondContact O-CG 3.49Å; E31-E35 PolarHBondContact O-N 3.44Å; E31-E35 VanDerWaalsContact O-N 3.07Å
32T96.8Very high96.4Very high13 Ų1356.4 Ų56.48%0.0831%0.308CS..Hα-helixtrans-61.9-36.7174.5-60.30000112.1P28 I29 I30 E35 L36 K119 I120P28-T32 WeakPolarHBondContact O-CB 3.45Å; P28-T32 PolarHBondContact O-N 3.22Å; P28-T32 VanDerWaalsContact O-N 3.08Å; P28-T32 PolarHBondContact O-OG1 3.07Å; I29-T32 WeakPolarHBondContact O-CB 3.27Å; I29-T32 PolarHBondContact O-N 3.22Å; I30-T32 PolarHBondContact O-N 2.94Å; T32-E35 PolarHBondContact O-N 2.97Å; T32-L36 PolarHBondContact O-N 3.43Å; T32-K119 HydrophobicContact CG2-CB 3.84Å; T32-K119 HydrophobicContact CG2-CD 3.98Å; T32-I120 HydrophobicContact CG2-CG2 4.01Å; T32-I120 WeakPolarHBondContact OG1-CG2 3.42Å
33I96.7Very high96.5Very high9 Ų947.7 Ų47.75%0.04627%0.272CS..Hα-helixtrans-67-41.4177.1-74.1158.2000111.6I29 I30 E31 E35 L36 V59 F61 L97 L280I29-I33 HydrophobicContact CG2-CD1 3.88Å; I29-I33 WeakPolarHBondContact O-CD1 3.49Å; I29-I33 WeakPolarHBondContact O-CG1 3.24Å; I29-I33 PolarHBondContact O-N 3.19Å; I30-I33 HydrophobicContact CD1-CD1 4.1Å; I30-I33 WeakPolarHBondContact O-CB 3.32Å; I30-I33 PolarHBondContact O-N 3.39Å; I30-I33 VanDerWaalsContact O-N 3.16Å; E31-I33 VanDerWaalsContact C-N 3.28Å; E31-I33 PolarHBondContact O-N 3Å; I33-E35 PolarHBondContact O-N 3Å; I33-L36 HydrophobicContact CG2-CD1 4.44Å; I33-L36 WeakPolarHBondContact O-CB 3.49Å; I33-L36 VanDerWaalsContact O-CG 3.22Å; I33-L36 WeakPolarHBondContact O-CG 3.45Å; I33-L36 PolarHBondContact O-N 2.73Å; I33-V59 HydrophobicContact CG1-CG1 4.49Å; I33-V59 HydrophobicContact CG2-CG1 3.51Å; I33-F61 HydrophobicContact CD1-CE1 3.74Å; I33-F61 HydrophobicContact CD1-CZ 4.02Å; I33-F61 HydrophobicContact CG2-CE1 4.29Å; I33-F61 HydrophobicContact CG2-CZ 4.17Å; I33-L97 HydrophobicContact CD1-CD1 4.07Å; I33-L97 HydrophobicContact CD1-CD2 3.7Å; I33-L280 HydrophobicContact CG2-CD1 3.74Å; I33-L280 HydrophobicContact CG2-CD2 3.95Å
34D95.6Very high96.6Very high81 Ų8144 Ų4443%0.43323%0.233SC..Hα-helixtrans-64.8-29.7175.6-16347.4000111.8I30 E31 L280 V284I30-D34 PolarHBondContact O-N 3.35Å; E31-D34 PolarHBondContact O-N 2.98Å; D34-L280 HydrophobicContact CB-CD2 4.47Å; D34-V284 HydrophobicContact CB-CG2 3.8Å
35E95.6Very high96.6Very high71 Ų7144.9 Ų44.933%0.33224%0.237SC..THydrogen-bonded Turntrans-82.7-1.7176.5-68.7-178.6176.500114.8E31 T32 I33 Q37 L38 L39 K119E31-E35 WeakPolarHBondContact O-CG 3.49Å; E31-E35 PolarHBondContact O-N 3.44Å; E31-E35 VanDerWaalsContact O-N 3.07Å; T32-E35 PolarHBondContact O-N 2.97Å; I33-E35 PolarHBondContact O-N 3Å; E35-Q37 PolarHBondContact O-N 3.39Å; E35-Q37 VanDerWaalsContact O-N 3.09Å; E35-L38 HydrophobicContact CB-CD1 4.44Å; E35-L38 HydrophobicContact CG-CD1 4.24Å; E35-L38 WeakPolarHBondContact O-CA 3.42Å; E35-L38 WeakPolarHBondContact O-CB 3.22Å; E35-L38 PolarHBondContact O-N 2.96Å; E35-L39 PolarHBondContact O-N 3.09Å; E35-L39 VanDerWaalsContact O-N 3.12Å; E35-K119 IonicContact OE2-NZ 2.76Å; E35-K119 PolarHBondContact OE2-NZ 3.06Å
36L96.6Very high96.4Very high3 Ų344.5 Ų44.52%0.01623%0.232CC..Hα-helixtrans-55.9-35.6-174-73.4178000113.5T32 I33 L38 L39 A40 V59 F112 I116T32-L36 PolarHBondContact O-N 3.43Å; I33-L36 HydrophobicContact CG2-CD1 4.44Å; I33-L36 WeakPolarHBondContact O-CB 3.49Å; I33-L36 VanDerWaalsContact O-CG 3.22Å; I33-L36 WeakPolarHBondContact O-CG 3.45Å; I33-L36 PolarHBondContact O-N 2.73Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L39 HydrophobicContact CD2-CD1 4.29Å; L36-L39 PolarHBondContact O-N 3.34Å; L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.09Å; L36-V59 HydrophobicContact CD1-CB 4.19Å; L36-V59 HydrophobicContact CD1-CG1 4.12Å; L36-F112 HydrophobicContact CB-CZ 4.31Å; L36-F112 HydrophobicContact CD2-CE2 4.38Å; L36-F112 HydrophobicContact CD2-CZ 4.02Å; L36-I116 HydrophobicContact CD2-CD1 3.5Å; L36-I116 HydrophobicContact CD2-CG1 3.53Å
37Q95.7Very high96.3Very high79 Ų7950.1 Ų50.137%0.36926%0.255SS..Hα-helixtrans-65.7-37.1175.9-171.658.849.300112E35 L39 A40 D41 H57E35-Q37 PolarHBondContact O-N 3.39Å; E35-Q37 VanDerWaalsContact O-N 3.09Å; Q37-L39 VanDerWaalsContact C-N 3.35Å; Q37-A40 WeakPolarHBondContact O-CB 3.49Å; Q37-A40 PolarHBondContact O-N 3.37Å; Q37-D41 PolarHBondContact NE2-OD1 3.32Å; Q37-D41 WeakPolarHBondContact O-CB 3.47Å; Q37-D41 PolarHBondContact O-N 3.48Å; Q37-H57 PolarHBondContact OE1-NE2 3.16Å
38L96.5Very high96.2Very high115 Ų11552.2 Ų52.260%0.60227%0.274SS*.Hα-helixtrans-65.5-39.7176.5-61.1175.7000111.1E35 L36 D41 E42E35-L38 HydrophobicContact CB-CD1 4.44Å; E35-L38 HydrophobicContact CG-CD1 4.24Å; E35-L38 WeakPolarHBondContact O-CA 3.42Å; E35-L38 WeakPolarHBondContact O-CB 3.22Å; E35-L38 PolarHBondContact O-N 2.96Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L38-D41 PolarHBondContact O-N 3.45Å; L38-E42 WeakPolarHBondContact O-CB 3.46Å; L38-E42 PolarHBondContact O-N 3.26Å
39L97Very high96Very high4 Ų452 Ų522%0.02127%0.273CS..Hα-helixtrans-65.7-39.7174.8-53.9178.9000111.8E35 L36 Q37 D41 E42 I43 F112 L115 I116 K119E35-L39 PolarHBondContact O-N 3.09Å; E35-L39 VanDerWaalsContact O-N 3.12Å; L36-L39 HydrophobicContact CD2-CD1 4.29Å; L36-L39 PolarHBondContact O-N 3.34Å; Q37-L39 VanDerWaalsContact C-N 3.35Å; L39-D41 VanDerWaalsContact C-N 3.35Å; L39-E42 PolarHBondContact O-N 3.31Å; L39-I43 WeakPolarHBondContact O-CD1 3.37Å; L39-I43 VanDerWaalsContact O-CG1 3.31Å; L39-I43 WeakPolarHBondContact O-CG1 3.46Å; L39-I43 PolarHBondContact O-N 2.94Å; L39-F112 HydrophobicContact CB-CD2 4.31Å; L39-F112 HydrophobicContact CB-CE2 4.09Å; L39-L115 HydrophobicContact CB-CD1 4.43Å; L39-L115 HydrophobicContact CD1-CB 4.45Å; L39-I116 HydrophobicContact CD1-CG1 4.09Å; L39-K119 HydrophobicContact CD1-CD 4.04Å; L39-K119 HydrophobicContact CD2-CD 4.07Å; L39-K119 VanDerWaalsContact CD2-CE 3.48Å
40A97.3Very high95.9Very high2 Ų258.8 Ų58.82%0.01730%0.302CS..Hα-helixtrans-62.7-42.8175.200000111.9L36 Q37 I43 C44 L55 F112L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.09Å; Q37-A40 WeakPolarHBondContact O-CB 3.49Å; Q37-A40 PolarHBondContact O-N 3.37Å; A40-I43 PolarHBondContact O-N 3.15Å; A40-C44 PolarHBondContact O-N 3.47Å; A40-L55 HydrophobicContact CB-CB 3.93Å; A40-L55 HydrophobicContact CB-CD1 4.05Å; A40-F112 HydrophobicContact CB-CE2 4.06Å
41D96.8Very high95.6Very high53 Ų5364.7 Ų64.728%0.28333%0.333SS..Hα-helixtrans-71.8-30.7179-66.7-17000111.9Q37 L38 L39 C44 P45 P46Q37-D41 PolarHBondContact NE2-OD1 3.32Å; Q37-D41 WeakPolarHBondContact O-CB 3.47Å; Q37-D41 PolarHBondContact O-N 3.48Å; L38-D41 PolarHBondContact O-N 3.45Å; L39-D41 VanDerWaalsContact C-N 3.35Å; D41-C44 CarbonylContact O-C 3.39Å; D41-P45 WeakPolarHBondContact O-CA 3.48Å; D41-P45 WeakPolarHBondContact O-CD 3.41Å; D41-P45 WeakPolarHBondContact O-CG 3.31Å; D41-P45 VanDerWaalsContact O-N 3.1Å; D41-P46 HydrophobicContact CB-CG 4.33Å
42E96.9Very high95.5Very high131 Ų13162.5 Ų62.561%0.61233%0.327SS*.Hα-helixtrans-62.1-44.1171.5-177.4179.3169.300111.5L38 L39L38-E42 WeakPolarHBondContact O-CB 3.46Å; L38-E42 PolarHBondContact O-N 3.26Å; L39-E42 PolarHBondContact O-N 3.31Å
43I97.6Very high95.5Very high34 Ų3463.6 Ų63.617%0.17433%0.332CS..Hα-helixtrans-72-41.1-179.8-64.6164.9000111.5L39 A40 L55 N108 E111 F112 L115L39-I43 WeakPolarHBondContact O-CD1 3.37Å; L39-I43 VanDerWaalsContact O-CG1 3.31Å; L39-I43 WeakPolarHBondContact O-CG1 3.46Å; L39-I43 PolarHBondContact O-N 2.94Å; A40-I43 PolarHBondContact O-N 3.15Å; I43-L55 HydrophobicContact CB-CD1 3.96Å; I43-L55 HydrophobicContact CD1-CD1 3.84Å; I43-L55 HydrophobicContact CG2-CD1 3.98Å; I43-N108 HydrophobicContact CG2-CB 3.68Å; I43-E111 HydrophobicContact CD1-CB 4Å; I43-E111 HydrophobicContact CD1-CG 3.96Å; I43-E111 HydrophobicContact CG1-CB 4.19Å; I43-E111 HydrophobicContact CG1-CG 3.76Å; I43-E111 HydrophobicContact CG2-CB 4.4Å; I43-F112 VanDerWaalsContact CD1-CA 3.42Å; I43-F112 HydrophobicContact CD1-CB 3.65Å; I43-F112 HydrophobicContact CD1-CD2 3.91Å; I43-F112 HydrophobicContact CD1-CG 4.29Å; I43-F112 VanDerWaalsContact CD1-N 3.33Å; I43-L115 HydrophobicContact CD1-CD1 3.91Å; I43-L115 HydrophobicContact CG1-CD1 3.91Å
44C97.1Very high95.5Very high3 Ų366.2 Ų66.22%0.0234%0.343CS..SBendtrans-137.979.7-172.7175.60000109.7A40 D41 C49 D53 K54A40-C44 PolarHBondContact O-N 3.47Å; D41-C44 CarbonylContact O-C 3.39Å; C44-C49 VanDerWaalsContact CA-SG 3.59Å; C44-C49 HydrophobicContact CB-CB 3.91Å; C44-C49 WeakPolarHBondContact CB-SG 3.43Å; C44-C49 WeakPolarHBondContact SG-CB 3.3Å; C44-C49 CovalentContact SG-SG 2.01Å; C44-C49 PolarHBondContact SG-SG 3.36Å; C44-D53 PolarHBondContact SG-O 3.36Å; C44-D53 VanDerWaalsContact SG-O 3.4Å; C44-K54 WeakPolarHBondContact SG-CA 3.35Å; C44-K54 PolarHBondContact SG-N 3.24Å; C44-K54 VanDerWaalsContact SG-N 3.42Å
45P96.5Very high95.5Very high46 Ų4662.9 Ų62.930%0.29933%0.326SS..  trans-55.9132.7-174.2-27.534.3000112.6D41 E47 T48 C49D41-P45 WeakPolarHBondContact O-CA 3.48Å; D41-P45 WeakPolarHBondContact O-CD 3.41Å; D41-P45 WeakPolarHBondContact O-CG 3.31Å; D41-P45 VanDerWaalsContact O-N 3.1Å; P45-E47 PolarHBondContact O-N 3.39Å; P45-T48 PolarHBondContact O-N 3.34Å; P45-C49 WeakPolarHBondContact O-CB 3.44Å; P45-C49 PolarHBondContact O-N 3.25Å
46P91.6Very high95.6Very high53 Ų5360.6 Ų60.634%0.34432%0.316SS..THydrogen-bonded Turntrans-54.7-29.6-173.8-29.735.7000115.4D41 K54D41-P46 HydrophobicContact CB-CG 4.33Å; P46-K54 PolarHBondContact O-NZ 3.07Å
47E93.2Very high95.6Very high163 Ų16360.6 Ų60.676%0.76232%0.316SS*.THydrogen-bonded Turntrans-84.5-32.4-175.1-55.178.7-171.500113.4P45P45-E47 PolarHBondContact O-N 3.39Å
48T94.2Very high95.6Very high118 Ų11856.8 Ų56.872%0.72430%0.298SS*.THydrogen-bonded Turntrans-112.7-23.5-171.658.90000113.4P45P45-T48 PolarHBondContact O-N 3.34Å
49C93.8Very high95.7Very high30 Ų3051.4 Ų51.420%0.20327%0.27CS..SBendtrans-79.7144.5-174.4-164.50000112C44 P45 L51C44-C49 VanDerWaalsContact CA-SG 3.59Å; C44-C49 HydrophobicContact CB-CB 3.91Å; C44-C49 WeakPolarHBondContact CB-SG 3.43Å; C44-C49 WeakPolarHBondContact SG-CB 3.3Å; C44-C49 CovalentContact SG-SG 2.01Å; C44-C49 PolarHBondContact SG-SG 3.36Å; P45-C49 WeakPolarHBondContact O-CB 3.44Å; P45-C49 PolarHBondContact O-N 3.25Å; C49-L51 PolarHBondContact O-N 2.91Å
50K94.4Very high95.8Very high145 Ų14551.2 Ų51.263%0.6327%0.269SS*.  trans-62.3137.6174.6-65.1178.4-174.71690109.5S52 D53 K54K50-S52 PolarHBondContact O-N 2.95Å; K50-S52 VanDerWaalsContact O-N 3.1Å; K50-D53 HydrophobicContact CB-CB 4.31Å; K50-D53 PolarHBondContact O-N 3.37Å; K50-K54 PolarHBondContact O-N 3.42Å
51L92.4Very high95.8Very high124 Ų12451.1 Ų51.165%0.64927%0.268SS*.THydrogen-bonded Turntrans-56.1-30.9179.2-177.359.8000113.2R10 C49 D53 K54R10-L51 PolarHBondContact NH2-O 2.95Å; C49-L51 PolarHBondContact O-N 2.91Å; L51-D53 VanDerWaalsContact C-N 3.32Å; L51-K54 HydrophobicContact CD1-CD 3.95Å
52S94.1Very high95.9Very high36 Ų3648.6 Ų48.625%0.25226%0.255SS..THydrogen-bonded Turntrans-66.8-31.6174.956.70000113.5K50 D104K50-S52 PolarHBondContact O-N 2.95Å; K50-S52 VanDerWaalsContact O-N 3.1Å; S52-D104 VanDerWaalsContact O-CB 3.32Å; S52-D104 WeakPolarHBondContact O-CB 3.23Å; S52-D104 PolarHBondContact O-N 3.28Å
53D96.7Very high95.9Very high36 Ų3645.2 Ų45.219%0.19324%0.24CC..THydrogen-bonded Turntrans-92.7-9-171.9-57.6-8.6000111.3C44 K50 L51 L55 S103 N108C44-D53 PolarHBondContact SG-O 3.36Å; C44-D53 VanDerWaalsContact SG-O 3.4Å; K50-D53 HydrophobicContact CB-CB 4.31Å; K50-D53 PolarHBondContact O-N 3.37Å; L51-D53 VanDerWaalsContact C-N 3.32Å; D53-L55 PolarHBondContact O-N 3.13Å; D53-S103 VanDerWaalsContact C-OG 3.27Å; D53-S103 WeakPolarHBondContact CA-OG 3.43Å; D53-S103 PolarHBondContact O-OG 2.99Å; D53-N108 PolarHBondContact O-ND2 2.76Å
54K95.9Very high95.9Very high64 Ų6447.6 Ų47.628%0.27826%0.264SS..SBendtrans-56.3130172.4-68-163.1-178.2-168.80110.7C44 P46 K50 L51 V56C44-K54 WeakPolarHBondContact SG-CA 3.35Å; C44-K54 PolarHBondContact SG-N 3.24Å; C44-K54 VanDerWaalsContact SG-N 3.42Å; P46-K54 PolarHBondContact O-NZ 3.07Å; K50-K54 PolarHBondContact O-N 3.42Å; L51-K54 HydrophobicContact CD1-CD 3.95Å; K54-V56 PolarHBondContact O-N 2.99Å
55L96.5Very high96Very high11 Ų1148.3 Ų48.36%0.05827%0.267CS..  trans-75114176.7-71.7157.9000108.9A40 I43 D53 N108 L109 F112A40-L55 HydrophobicContact CB-CB 3.93Å; A40-L55 HydrophobicContact CB-CD1 4.05Å; I43-L55 HydrophobicContact CB-CD1 3.96Å; I43-L55 HydrophobicContact CD1-CD1 3.84Å; I43-L55 HydrophobicContact CG2-CD1 3.98Å; D53-L55 PolarHBondContact O-N 3.13Å; L55-N108 HydrophobicContact CD1-CB 4.36Å; L55-N108 HydrophobicContact CD2-CB 4.16Å; L55-N108 HydrophobicContact CG-CB 4.26Å; L55-L109 HydrophobicContact CD2-CD2 3.56Å; L55-L109 HydrophobicContact CD2-CG 4.23Å; L55-F112 HydrophobicContact CD1-CB 4.16Å; L55-F112 HydrophobicContact CD1-CD2 4.11Å; L55-F112 HydrophobicContact CD1-CG 4.23Å; L55-F112 HydrophobicContact CD2-CB 4.25Å; L55-F112 HydrophobicContact CD2-CG 4.43Å
56V96.2Very high96Very high22 Ų2246.3 Ų46.313%0.13325%0.253CS..EExtended strand (participates in β ladder)trans-98.7122.3167.7-174.50000107.2D3 D4 S7 K54 A101 K102D3-V56 VanDerWaalsContact C-CG1 3.45Å; D3-V56 HydrophobicContact CB-CG1 4.12Å; D3-V56 WeakPolarHBondContact O-CG1 3.47Å; D4-V56 HydrophobicContact CB-CG1 4.37Å; S7-V56 VanDerWaalsContact OG-CG1 3.32Å; S7-V56 WeakPolarHBondContact OG-CG1 3.24Å; K54-V56 PolarHBondContact O-N 2.99Å; V56-A101 CarbonylContact O-C 3.43Å; V56-A101 WeakPolarHBondContact O-CA 3.42Å; V56-K102 PolarHBondContact N-O 2.66Å; V56-K102 PolarHBondContact O-N 3.42Å
57H97.1Very high96.3Very high3 Ų346.3 Ų46.31%0.01425%0.251CS..EExtended strand (participates in β ladder)trans-143.7155.9-167.665.585.8000113.9M1 Q37 H100 A101 F112M1-H57 PolarHBondContact N-O 2.98Å; Q37-H57 PolarHBondContact OE1-NE2 3.16Å; H57-H100 WeakPolarHBondContact CA-O 3.48Å; H57-A101 HydrophobicContact CB-CB 3.82Å; H57-F112 HydrophobicContact CB-CE1 3.87Å; H57-F112 HydrophobicContact CB-CZ 3.98Å; H57-F112 AromaticContact CG-CZ 3.81Å
58G96.9Very high96.5Very high0 Ų041.4 Ų41.40%024%0.244CC..EExtended strand (participates in β ladder)trans-150.8156.3173.900000110.7H100G58-H100 PolarHBondContact N-O 2.85Å; G58-H100 PolarHBondContact O-N 3.36Å
59V97.9Very high96.6Very high1 Ų136.1 Ų36.11%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-123.4130.8172.761.70000110M1 I33 L36 F61 L97 F98 V99 F274M1-V59 HydrophobicContact SD-CG1 3.67Å; I33-V59 HydrophobicContact CG1-CG1 4.49Å; I33-V59 HydrophobicContact CG2-CG1 3.51Å; L36-V59 HydrophobicContact CD1-CB 4.19Å; L36-V59 HydrophobicContact CD1-CG1 4.12Å; V59-F61 HydrophobicContact CB-CE1 4.48Å; V59-F61 HydrophobicContact CG1-CE1 3.81Å; V59-F61 HydrophobicContact CG2-CD1 4.12Å; V59-F61 HydrophobicContact CG2-CE1 3.88Å; V59-L97 HydrophobicContact CG2-CB 4.39Å; V59-L97 HydrophobicContact CG2-CD2 4.46Å; V59-F98 CarbonylContact C-O 3.55Å; V59-F98 WeakPolarHBondContact CA-O 3.48Å; V59-V99 HydrophobicContact CB-CG2 4.41Å; V59-V99 HydrophobicContact CG2-CG2 4.06Å; V59-F274 WeakPolarHBondContact O-CD1 3.37Å
60G98.1Very high96.8Very high0 Ų035.7 Ų35.70%021%0.208CC..EExtended strand (participates in β ladder)trans-100.5139.7170.800000110.8L97 F98 Y273 F274G60-L97 CarbonylContact O-C 3.6Å; G60-L97 WeakPolarHBondContact O-CA 3.4Å; G60-F98 PolarHBondContact N-O 3.24Å; G60-F98 PolarHBondContact O-N 3.04Å; G60-Y273 CarbonylContact C-O 3.47Å; G60-Y273 WeakPolarHBondContact CA-O 3.45Å; G60-F274 VanDerWaalsContact CA-CD2 3.42Å; G60-F274 VanDerWaalsContact CA-CE2 3.41Å
61F98.3Very high97Very high0 Ų030.7 Ų30.70%019%0.19CC..EExtended strand (participates in β ladder)trans-100.5134.2175.3-63.8-4000109.6I30 I33 V59 F65 L66 L97 W272 Y273 P275 L280 I283I30-F61 HydrophobicContact CD1-CE2 3.96Å; I30-F61 HydrophobicContact CD1-CZ 3.86Å; I33-F61 HydrophobicContact CD1-CE1 3.74Å; I33-F61 HydrophobicContact CD1-CZ 4.02Å; I33-F61 HydrophobicContact CG2-CE1 4.29Å; I33-F61 HydrophobicContact CG2-CZ 4.17Å; V59-F61 HydrophobicContact CB-CE1 4.48Å; V59-F61 HydrophobicContact CG1-CE1 3.81Å; V59-F61 HydrophobicContact CG2-CD1 4.12Å; V59-F61 HydrophobicContact CG2-CE1 3.88Å; F61-F65 HydrophobicContact CB-CD1 4.01Å; F61-F65 HydrophobicContact CD1-CD1 4.23Å; F61-F65 HydrophobicContact CD1-CE1 4.17Å; F61-F65 HydrophobicContact CD2-CD1 4.08Å; F61-F65 HydrophobicContact CD2-CE1 4.07Å; F61-F65 HydrophobicContact CE1-CE1 4.36Å; F61-F65 HydrophobicContact CE2-CE1 4.23Å; F61-F65 AromaticContact CG-CD1 3.84Å; F61-F65 HydrophobicContact CG-CD1 3.84Å; F61-F65 HydrophobicContact CG-CE1 4.06Å; F61-F65 HydrophobicContact CZ-CE1 4.39Å; F61-L66 HydrophobicContact CB-CB 3.99Å; F61-L66 HydrophobicContact CD2-CD1 3.8Å; F61-L97 HydrophobicContact CD1-CD2 3.73Å; F61-L97 HydrophobicContact CE1-CD2 3.96Å; F61-W272 WeakPolarHBondContact O-CA 3.35Å; F61-Y273 PolarHBondContact N-O 2.77Å; F61-Y273 PolarHBondContact O-N 3.15Å; F61-P275 HydrophobicContact CE2-CG 4.19Å; F61-P275 HydrophobicContact CZ-CG 4.27Å; F61-L280 HydrophobicContact CZ-CD1 4.09Å; F61-I283 HydrophobicContact CD2-CD1 4.45Å; F61-I283 HydrophobicContact CE2-CD1 3.89Å; F61-I283 HydrophobicContact CE2-CG2 4.42Å
62G98.4Very high97.1Very high1 Ų133.4 Ų33.41%0.0120%0.2CC..PPolyproline II helixtrans-66.7154.3167.900000110.9A64 F65 L66 G95 D96G62-A64 PolarHBondContact O-N 3.5Å; G62-F65 PolarHBondContact O-N 2.89Å; G62-F65 VanDerWaalsContact O-N 3.14Å; G62-L66 PolarHBondContact O-N 3.22Å; G62-G95 WeakPolarHBondContact CA-O 3.29Å; G62-D96 PolarHBondContact N-O 3.08Å
63E98.1Very high97.2Very high60 Ų6039.1 Ų39.128%0.2822%0.222SC..Hα-helixtrans-53.3-49.2-176-176.1-179.3122.400112.9F65 L66 N67 F78 P79E63-F65 PolarHBondContact O-N 3.21Å; E63-L66 PolarHBondContact O-N 3Å; E63-N67 WeakPolarHBondContact O-CB 3.4Å; E63-N67 VanDerWaalsContact O-CG 3.27Å; E63-N67 PolarHBondContact O-N 3.4Å; E63-N67 PolarHBondContact O-ND2 2.75Å; E63-F78 HydrophobicContact CB-CD1 4.33Å; E63-F78 HydrophobicContact CB-CD2 4.17Å; E63-F78 HydrophobicContact CB-CE1 3.94Å; E63-F78 HydrophobicContact CB-CE2 3.78Å; E63-F78 HydrophobicContact CB-CG 4.45Å; E63-F78 HydrophobicContact CB-CZ 3.69Å; E63-F78 HydrophobicContact CG-CD1 4.2Å; E63-F78 HydrophobicContact CG-CE1 4.01Å; E63-F78 HydrophobicContact CG-CZ 4.29Å; E63-F78 WeakPolarHBondContact OE2-CA 3.31Å; E63-F78 PolarHBondContact OE2-N 3.01Å; E63-P79 WeakPolarHBondContact OE2-CA 3.43Å
64A96.9Very high97.2Very high83 Ų8340.9 Ų40.969%0.68623%0.231SC*.Hα-helixtrans-64.2-40-179.400000112.3G62 G68G62-A64 PolarHBondContact O-N 3.5Å; A64-G68 PolarHBondContact O-N 3.32Å; A64-G68 VanDerWaalsContact O-N 3.16Å
65F98Very high97.2Very high18 Ų1840 Ų408%0.07924%0.236CC..Hα-helixtrans-67.6-49.6178.2-179.4-96.7000111.1L20 I29 I30 F61 G62 E63 N67 G68 V69 D96 L97L20-F65 HydrophobicContact CD1-CD2 3.63Å; L20-F65 HydrophobicContact CD1-CE2 3.47Å; L20-F65 VanDerWaalsContact CD1-CE2 3.47Å; L20-F65 HydrophobicContact CD1-CZ 4.47Å; I29-F65 HydrophobicContact CG2-CE2 4.31Å; I29-F65 HydrophobicContact CG2-CZ 3.91Å; I30-F65 HydrophobicContact CD1-CE1 3.83Å; I30-F65 HydrophobicContact CD1-CZ 3.87Å; I30-F65 HydrophobicContact CG1-CZ 4.39Å; F61-F65 HydrophobicContact CB-CD1 4.01Å; F61-F65 HydrophobicContact CD1-CD1 4.23Å; F61-F65 HydrophobicContact CD1-CE1 4.17Å; F61-F65 HydrophobicContact CD2-CD1 4.08Å; F61-F65 HydrophobicContact CD2-CE1 4.07Å; F61-F65 HydrophobicContact CE1-CE1 4.36Å; F61-F65 HydrophobicContact CE2-CE1 4.23Å; F61-F65 AromaticContact CG-CD1 3.84Å; F61-F65 HydrophobicContact CG-CD1 3.84Å; F61-F65 HydrophobicContact CG-CE1 4.06Å; F61-F65 HydrophobicContact CZ-CE1 4.39Å; G62-F65 PolarHBondContact O-N 2.89Å; G62-F65 VanDerWaalsContact O-N 3.14Å; E63-F65 PolarHBondContact O-N 3.21Å; F65-N67 VanDerWaalsContact C-N 3.35Å; F65-N67 PolarHBondContact O-N 3.42Å; F65-G68 PolarHBondContact O-N 3.31Å; F65-V69 HydrophobicContact CE1-CG1 4.25Å; F65-V69 HydrophobicContact CE1-CG2 4.37Å; F65-V69 HydrophobicContact CE2-CG1 4.28Å; F65-V69 HydrophobicContact CZ-CG1 4.02Å; F65-V69 PolarHBondContact O-N 3.05Å; F65-D96 HydrophobicContact CB-CB 4.02Å; F65-D96 HydrophobicContact CD2-CB 4.14Å; F65-D96 HydrophobicContact CG-CB 4.2Å; F65-L97 HydrophobicContact CD1-CD2 3.77Å; F65-L97 HydrophobicContact CE1-CD2 3.48Å; F65-L97 VanDerWaalsContact CE1-CD2 3.48Å; F65-L97 HydrophobicContact CE2-CD2 4.49Å; F65-L97 HydrophobicContact CG-CD2 4.4Å; F65-L97 HydrophobicContact CZ-CD2 3.88Å
66L97.9Very high97.2Very high4 Ų441 Ų412%0.02124%0.24CC..Hα-helixtrans-54.9-51.7177.9178.167.7000110.8F61 G62 E63 G68 V69 V70 K76 F78 Y273 I283F61-L66 HydrophobicContact CB-CB 3.99Å; F61-L66 HydrophobicContact CD2-CD1 3.8Å; G62-L66 PolarHBondContact O-N 3.22Å; E63-L66 PolarHBondContact O-N 3Å; L66-G68 PolarHBondContact O-N 3.21Å; L66-V69 VanDerWaalsContact O-CG2 3.3Å; L66-V69 WeakPolarHBondContact O-CG2 3.21Å; L66-V69 PolarHBondContact O-N 3.3Å; L66-V70 HydrophobicContact CD1-CG1 3.89Å; L66-V70 HydrophobicContact CG-CG1 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.35Å; L66-V70 PolarHBondContact O-N 2.8Å; L66-K76 HydrophobicContact CD2-CB 4.09Å; L66-K76 HydrophobicContact CD2-CD 3.89Å; L66-K76 HydrophobicContact CD2-CG 4.17Å; L66-F78 HydrophobicContact CD2-CE1 3.82Å; L66-F78 HydrophobicContact CD2-CZ 4.19Å; L66-Y273 HydrophobicContact CD2-CD1 3.9Å; L66-Y273 HydrophobicContact CD2-CG 4.18Å; L66-I283 HydrophobicContact CD1-CD1 4.14Å
67N97.6Very high97.3Very high53 Ų5344.5 Ų44.528%0.28327%0.265SS..Hα-helixtrans-67.3-16.6-178-67.4-17.6000113.1E63 F65 A75 K76E63-N67 WeakPolarHBondContact O-CB 3.4Å; E63-N67 VanDerWaalsContact O-CG 3.27Å; E63-N67 PolarHBondContact O-N 3.4Å; E63-N67 PolarHBondContact O-ND2 2.75Å; F65-N67 VanDerWaalsContact C-N 3.35Å; F65-N67 PolarHBondContact O-N 3.42Å; N67-A75 HydrophobicContact CB-CB 4.37Å; N67-A75 VanDerWaalsContact OD1-CA 3.24Å; N67-A75 WeakPolarHBondContact OD1-CA 3.39Å; N67-A75 WeakPolarHBondContact OD1-CB 3.33Å; N67-K76 PolarHBondContact ND2-O 3.07Å; N67-K76 PolarHBondContact OD1-N 3.3Å; N67-K76 PolarHBondContact OD1-O 2.88Å
68G96.8Very high97.3Very high60 Ų6044.4 Ų44.462%0.61927%0.265SS*.Hα-helixtrans-83.9-15.2172.100000114.6A64 F65 L66A64-G68 PolarHBondContact O-N 3.32Å; A64-G68 VanDerWaalsContact O-N 3.16Å; F65-G68 PolarHBondContact O-N 3.31Å; L66-G68 PolarHBondContact O-N 3.21Å
69V97.5Very high97.3Very high8 Ų847.9 Ų47.95%0.04829%0.287CS..Hα-helixtrans-115.2-0.5-177.3-56.80000114P26 I30 F65 L66 I283 V287P26-V69 HydrophobicContact CB-CG1 3.51Å; P26-V69 HydrophobicContact CG-CG1 4.4Å; I30-V69 HydrophobicContact CD1-CG2 4.39Å; I30-V69 HydrophobicContact CG1-CG1 4.39Å; F65-V69 HydrophobicContact CE1-CG1 4.25Å; F65-V69 HydrophobicContact CE1-CG2 4.37Å; F65-V69 HydrophobicContact CE2-CG1 4.28Å; F65-V69 HydrophobicContact CZ-CG1 4.02Å; F65-V69 PolarHBondContact O-N 3.05Å; L66-V69 VanDerWaalsContact O-CG2 3.3Å; L66-V69 WeakPolarHBondContact O-CG2 3.21Å; L66-V69 PolarHBondContact O-N 3.3Å; V69-I283 HydrophobicContact CB-CG2 4.23Å; V69-I283 HydrophobicContact CG2-CG2 3.81Å; V69-V287 HydrophobicContact CB-CG1 3.92Å; V69-V287 HydrophobicContact CG1-CG1 4.21Å
70V97.9Very high97.2Very high20 Ų2048.2 Ų48.212%0.12129%0.288CS..SBendtrans-118.6153.6175.5-57.30000111.6L66 L74 I283 Y286L66-V70 HydrophobicContact CD1-CG1 3.89Å; L66-V70 HydrophobicContact CG-CG1 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.35Å; L66-V70 PolarHBondContact O-N 2.8Å; V70-L74 HydrophobicContact CB-CB 4.25Å; V70-L74 HydrophobicContact CG2-CB 4.28Å; V70-I283 HydrophobicContact CG1-CD1 4.28Å; V70-I283 HydrophobicContact CG1-CG1 3.89Å; V70-Y286 HydrophobicContact CG1-CD2 4.47Å
71P97Very high97.1Very high41 Ų4152.2 Ų52.227%0.26631%0.313SS..  trans-55.1146.4166.8-25.733.7000112.3H73 L74 A75 Y286P71-H73 VanDerWaalsContact CB-CE1 3.5Å; P71-H73 WeakPolarHBondContact CB-CE1 3.38Å; P71-H73 PolarHBondContact O-N 2.74Å; P71-H73 VanDerWaalsContact O-N 3.08Å; P71-L74 HydrophobicContact CG-CD1 4.43Å; P71-L74 WeakPolarHBondContact O-CA 3.47Å; P71-L74 PolarHBondContact O-N 3.05Å; P71-A75 PolarHBondContact O-N 2.95Å; P71-Y286 HydrophobicContact CG-CD1 4.05Å; P71-Y286 HydrophobicContact CG-CD2 4.21Å; P71-Y286 HydrophobicContact CG-CE1 4.09Å; P71-Y286 HydrophobicContact CG-CE2 4.24Å; P71-Y286 HydrophobicContact CG-CG 4.13Å
72E96.2Very high96.9Very high181 Ų18155 Ų5585%0.84634%0.335SS*.G310 helixtrans-52.8-36.8-175.8-173.4179.8-178.700114L74 A75E72-L74 PolarHBondContact O-N 3.18Å; E72-A75 WeakPolarHBondContact O-CB 3.47Å; E72-A75 PolarHBondContact O-N 2.93Å; E72-A75 VanDerWaalsContact O-N 3.14Å
73H95.8Very high96.7Very high156 Ų15655.5 Ų55.572%0.72234%0.337SS*.G310 helixtrans-71.2-12.8179.471.8-83.8000114.3P71P71-H73 VanDerWaalsContact CB-CE1 3.5Å; P71-H73 WeakPolarHBondContact CB-CE1 3.38Å; P71-H73 PolarHBondContact O-N 2.74Å; P71-H73 VanDerWaalsContact O-N 3.08Å
74L96.1Very high96.1Very high72 Ų7255.2 Ų55.238%0.37735%0.35SS..G310 helixtrans-104-1.7174-58.9-178.4000112.4V70 P71 E72 Y286V70-L74 HydrophobicContact CB-CB 4.25Å; V70-L74 HydrophobicContact CG2-CB 4.28Å; P71-L74 HydrophobicContact CG-CD1 4.43Å; P71-L74 WeakPolarHBondContact O-CA 3.47Å; P71-L74 PolarHBondContact O-N 3.05Å; E72-L74 PolarHBondContact O-N 3.18Å; L74-Y286 HydrophobicContact CD1-CE2 3.82Å; L74-Y286 WeakPolarHBondContact CD1-OH 3.33Å
75A96.5Very high95.3Very high46 Ų4655.7 Ų55.738%0.3835%0.349SS..  trans-57.9140.417700000110.6N67 P71 E72N67-A75 HydrophobicContact CB-CB 4.37Å; N67-A75 VanDerWaalsContact OD1-CA 3.24Å; N67-A75 WeakPolarHBondContact OD1-CA 3.39Å; N67-A75 WeakPolarHBondContact OD1-CB 3.33Å; P71-A75 PolarHBondContact O-N 2.95Å; E72-A75 WeakPolarHBondContact O-CB 3.47Å; E72-A75 PolarHBondContact O-N 2.93Å; E72-A75 VanDerWaalsContact O-N 3.14Å
76K96.6Very high94.3Very high32 Ų3258.2 Ų58.214%0.13938%0.38CS..  trans-114.1144179-61.9179.5-171.5-96.80109.4L66 N67 F78 E162 Y273 E279L66-K76 HydrophobicContact CD2-CB 4.09Å; L66-K76 HydrophobicContact CD2-CD 3.89Å; L66-K76 HydrophobicContact CD2-CG 4.17Å; N67-K76 PolarHBondContact ND2-O 3.07Å; N67-K76 PolarHBondContact OD1-N 3.3Å; N67-K76 PolarHBondContact OD1-O 2.88Å; K76-F78 HydrophobicContact CB-CD1 3.75Å; K76-F78 HydrophobicContact CB-CE1 3.82Å; K76-E162 IonicContact NZ-OE1 3.37Å; K76-E162 IonicContact NZ-OE2 2.77Å; K76-E162 PolarHBondContact NZ-OE2 2.76Å; K76-Y273 HydrophobicContact CD-CD1 4.17Å; K76-Y273 HydrophobicContact CD-CD2 3.91Å; K76-Y273 HydrophobicContact CD-CE1 4.06Å; K76-Y273 HydrophobicContact CD-CE2 3.79Å; K76-Y273 HydrophobicContact CD-CG 4.08Å; K76-Y273 WeakPolarHBondContact CE-OH 3.2Å; K76-Y273 PolarHBondContact NZ-OH 3.04Å; K76-E279 IonicContact NZ-OE1 3.39Å
77S97.4Very high93.3Very high95 Ų9563.2 Ų63.266%0.66441%0.405SS*.  trans-112.2119.9170.4-174.10000108.8
78F97.9Very high92.6Very high2 Ų262.6 Ų62.61%0.00940%0.404CS..  trans-148.455.8-178.653.1-85.7000110.2E63 L66 K76 H80 Y169 T238E63-F78 HydrophobicContact CB-CD1 4.33Å; E63-F78 HydrophobicContact CB-CD2 4.17Å; E63-F78 HydrophobicContact CB-CE1 3.94Å; E63-F78 HydrophobicContact CB-CE2 3.78Å; E63-F78 HydrophobicContact CB-CG 4.45Å; E63-F78 HydrophobicContact CB-CZ 3.69Å; E63-F78 HydrophobicContact CG-CD1 4.2Å; E63-F78 HydrophobicContact CG-CE1 4.01Å; E63-F78 HydrophobicContact CG-CZ 4.29Å; E63-F78 WeakPolarHBondContact OE2-CA 3.31Å; E63-F78 PolarHBondContact OE2-N 3.01Å; L66-F78 HydrophobicContact CD2-CE1 3.82Å; L66-F78 HydrophobicContact CD2-CZ 4.19Å; K76-F78 HydrophobicContact CB-CD1 3.75Å; K76-F78 HydrophobicContact CB-CE1 3.82Å; F78-H80 PolarHBondContact O-N 3.15Å; F78-Y169 HydrophobicContact CB-CD1 3.97Å; F78-Y169 HydrophobicContact CB-CE1 3.75Å; F78-Y169 HydrophobicContact CD1-CE1 4.12Å; F78-Y169 HydrophobicContact CG-CD1 4.23Å; F78-Y169 HydrophobicContact CG-CE1 4.02Å; F78-T238 HydrophobicContact CB-CG2 3.66Å
79P97Very high92.3Very high72 Ų7260.2 Ų60.247%0.46838%0.379SS..PPolyproline II helixtrans-66.9129.4-170.127.8-35.8000110.5E63E63-P79 WeakPolarHBondContact OE2-CA 3.43Å
80H96.4Very high92.1Very high8 Ų860 Ų604%0.03738%0.378CS..PPolyproline II helixtrans-81.4118.5168.1177.249000110F78 P91 N92 S269 Y271F78-H80 PolarHBondContact O-N 3.15Å; H80-P91 PolarHBondContact NE2-O 3.22Å; H80-N92 PolarHBondContact O-ND2 3.35Å; H80-S269 PolarHBondContact CD2-O 2.83Å; H80-S269 PolarHBondContact CE1-OG 3.01Å; H80-S269 PolarHBondContact NE2-OG 3.11Å; H80-Y271 HydrophobicContact CB-CD1 4.17Å; H80-Y271 HydrophobicContact CB-CD2 3.94Å; H80-Y271 HydrophobicContact CB-CE2 4.45Å; H80-Y271 HydrophobicContact CB-CG 3.78Å; H80-Y271 AromaticContact ND1-CD1 3.85Å; H80-Y271 AromaticContact ND1-CE1 3.61Å; H80-Y271 AromaticContact ND1-CZ 3.85Å
81V95Very high92Very high85 Ų8561.2 Ų61.252%0.51539%0.386SS..PPolyproline II helixtrans-94.3127178.5-176.90000109.2R83V81-R83 PolarHBondContact O-NH1 3.09Å
82A95Very high92Very high57 Ų5762.9 Ų62.947%0.47139%0.392SS..PPolyproline II helixtrans-61.8140.1171.600000110.1M90 N92A82-M90 CarbonylContact C-O 3.6Å; A82-M90 VanDerWaalsContact CA-O 3.31Å; A82-M90 WeakPolarHBondContact CA-O 3.25Å; A82-N92 HydrophobicContact CB-CB 4.33Å
83R93Very high92Very high13 Ų1356.4 Ų56.45%0.04937%0.367CS..BIsolated β-bridgetrans-127.9148.4-174.6-69.2168.9177.596.4-7.8111.2V81 G89 M90 D242 D246 F249V81-R83 PolarHBondContact O-NH1 3.09Å; R83-G89 CarbonylContact O-C 3.48Å; R83-G89 VanDerWaalsContact O-CA 3.29Å; R83-G89 WeakPolarHBondContact O-CA 3.3Å; R83-M90 PolarHBondContact N-O 3.18Å; R83-M90 PolarHBondContact O-N 3.33Å; R83-D242 IonicContact CZ-OD1 3.26Å; R83-D242 IonicContact NH2-OD1 3.81Å; R83-D242 PolarHBondContact NH2-OD1 2.82Å; R83-D246 IonicContact CZ-OD1 3.84Å; R83-D246 IonicContact NE-OD1 3.46Å; R83-D246 PolarHBondContact NE-OD1 3.23Å; R83-D246 IonicContact NH2-OD1 2.8Å; R83-D246 PolarHBondContact NH2-OD1 3.31Å; R83-F249 HydrophobicContact CB-CB 4.09Å; R83-F249 HydrophobicContact CB-CD1 4.33Å; R83-F249 HydrophobicContact CB-CD2 3.35Å; R83-F249 HydrophobicContact CB-CE2 3.79Å; R83-F249 HydrophobicContact CB-CG 3.65Å; R83-F249 HydrophobicContact CB-CZ 4.5Å; R83-F249 HydrophobicContact CG-CD2 4.1Å
84G86.6Confident92Very high54 Ų5450.2 Ų50.256%0.55735%0.345SS*.SBendtrans61.6-164.4-174.400000112.7
85S78.4Confident92Very high93 Ų9347.4 Ų47.465%0.6533%0.334SS*.  trans-150.8162.8176.464.60000111.8T88 G89S85-T88 PolarHBondContact O-N 2.78Å; S85-T88 PolarHBondContact O-OG1 3.15Å; S85-G89 PolarHBondContact O-N 3.35Å
86G77.8Confident92.1Very high71 Ų7147 Ų4773%0.73233%0.325SS*.G310 helixtrans60-138.417500000113.3T88 G89G86-T88 VanDerWaalsContact C-N 3.27Å; G86-T88 PolarHBondContact O-N 3.42Å; G86-G89 PolarHBondContact O-N 3.44Å
87I76.3Confident92.2Very high108 Ų10845.6 Ų45.655%0.55432%0.32SS*.G310 helixtrans-69.9-24.3-173.9-156.1172.4000112.7K178 K265I87-K178 HydrophobicContact CD1-CD 4.22Å; I87-K178 HydrophobicContact CG1-CD 4.1Å; I87-K178 WeakPolarHBondContact O-CE 3.44Å; I87-K178 PolarHBondContact O-NZ 3Å; I87-K265 HydrophobicContact CG1-CD 4.45Å
88T83.2Confident92.2Very high41 Ų4141.1 Ų41.125%0.25229%0.288SS..G310 helixtrans-95.56.317754.40000112.5S85 G86 F249S85-T88 PolarHBondContact O-N 2.78Å; S85-T88 PolarHBondContact O-OG1 3.15Å; G86-T88 VanDerWaalsContact C-N 3.27Å; G86-T88 PolarHBondContact O-N 3.42Å; T88-F249 WeakPolarHBondContact O-CE1 3.46Å
89G90.5Very high92.2Very high10 Ų1041.1 Ų41.110%0.10329%0.288CS..  trans-80.5157.3179.500000113.7R83 S85 G86R83-G89 CarbonylContact O-C 3.48Å; R83-G89 VanDerWaalsContact O-CA 3.29Å; R83-G89 WeakPolarHBondContact O-CA 3.3Å; S85-G89 PolarHBondContact O-N 3.35Å; G86-G89 PolarHBondContact O-N 3.44Å
90M94.4Very high92.3Very high4 Ų437.8 Ų37.82%0.0227%0.266CS..BIsolated β-bridgetrans-106.8112.1161.3172.9174.1-72.500108.7A82 R83 L245 M248 F249 C266 S269A82-M90 CarbonylContact C-O 3.6Å; A82-M90 VanDerWaalsContact CA-O 3.31Å; A82-M90 WeakPolarHBondContact CA-O 3.25Å; R83-M90 PolarHBondContact N-O 3.18Å; R83-M90 PolarHBondContact O-N 3.33Å; M90-L245 HydrophobicContact CE-CD2 3.69Å; M90-L245 HydrophobicContact SD-CD1 3.99Å; M90-L245 HydrophobicContact SD-CD2 3.88Å; M90-M248 HydrophobicContact CE-CE 3.89Å; M90-F249 HydrophobicContact CB-CE1 4.35Å; M90-F249 HydrophobicContact CB-CE2 3.61Å; M90-F249 HydrophobicContact CB-CZ 3.4Å; M90-F249 HydrophobicContact CE-CE2 4.08Å; M90-F249 HydrophobicContact CE-CZ 4.32Å; M90-F249 HydrophobicContact CG-CE2 4.46Å; M90-F249 HydrophobicContact SD-CE2 4.11Å; M90-C266 HydrophobicContact CB-CB 4.3Å; M90-S269 PolarHBondContact SD-OG 2.92Å
91P95.5Very high92.4Very high44 Ų4437.4 Ų37.429%0.28627%0.265SS..  trans-69164177.130.6-34.8000111.1H80 C266 S269H80-P91 PolarHBondContact NE2-O 3.22Å; P91-C266 WeakPolarHBondContact CD-O 3.41Å; P91-S269 WeakPolarHBondContact O-CB 3.35Å
92N95.7Very high92.5Very high77 Ų7733.4 Ų33.441%0.41224%0.24SC..  trans-99.9109.2152.6176.8-0.5000107.3H80 A82 G94H80-N92 PolarHBondContact O-ND2 3.35Å; A82-N92 HydrophobicContact CB-CB 4.33Å; N92-G94 PolarHBondContact OD1-N 3.3Å
93S96.1Very high92.6Very high44 Ų4430.7 Ų30.731%0.30822%0.218SC..  trans-86.6-12.9-178.7-62.60000113H19 Q268 S269H19-S93 PolarHBondContact CE1-O 2.72Å; S93-Q268 WeakPolarHBondContact OG-CA 3.37Å; S93-Q268 WeakPolarHBondContact OG-CB 3.16Å; S93-S269 PolarHBondContact N-O 3.4Å; S93-S269 PolarHBondContact OG-N 3.34Å
94G95.7Very high92.9Very high26 Ų2631.8 Ų31.827%0.26823%0.225SC..  trans59.5-152.5-170.300000112.3N92 N270N92-G94 PolarHBondContact OD1-N 3.3Å; G94-N270 VanDerWaalsContact C-ND2 3.31Å; G94-N270 WeakPolarHBondContact O-CB 3.42Å; G94-N270 PolarHBondContact O-ND2 2.95Å
95G96.6Very high93.4Very high14 Ų1430.4 Ų30.414%0.14421%0.207CC..  trans125.6153.3-178.700000111.4H19 G62H19-G95 WeakPolarHBondContact CE1-CA 3.35Å; H19-G95 PolarHBondContact CE1-N 3.13Å; G62-G95 WeakPolarHBondContact CA-O 3.29Å
96D98.4Very high94.3Very high37 Ų3732.5 Ų32.520%0.19820%0.2CC..SBendtrans-100-45.4-172.3-59.7-68.5000110.9I18 H19 L20 G62 F65I18-D96 PolarHBondContact O-N 2.92Å; H19-D96 WeakPolarHBondContact CA-OD2 3.33Å; L20-D96 HydrophobicContact CB-CB 4.36Å; L20-D96 HydrophobicContact CD1-CB 3.72Å; L20-D96 HydrophobicContact CG-CB 3.83Å; L20-D96 PolarHBondContact N-OD2 2.89Å; G62-D96 PolarHBondContact N-O 3.08Å; F65-D96 HydrophobicContact CB-CB 4.02Å; F65-D96 HydrophobicContact CD2-CB 4.14Å; F65-D96 HydrophobicContact CG-CB 4.2Å
97L98.5Very high95.3Very high3 Ų333.3 Ų33.32%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-128.2143176.7-49.6170.5000110.6I18 I29 I33 V59 G60 F61 F65 I120 W272I18-L97 HydrophobicContact CB-CB 4.17Å; I18-L97 HydrophobicContact CD1-CD1 4.43Å; I18-L97 PolarHBondContact N-O 3.07Å; I18-L97 PolarHBondContact O-N 3.2Å; I29-L97 HydrophobicContact CG2-CD1 3.69Å; I33-L97 HydrophobicContact CD1-CD1 4.07Å; I33-L97 HydrophobicContact CD1-CD2 3.7Å; V59-L97 HydrophobicContact CG2-CB 4.39Å; V59-L97 HydrophobicContact CG2-CD2 4.46Å; G60-L97 CarbonylContact O-C 3.6Å; G60-L97 WeakPolarHBondContact O-CA 3.4Å; F61-L97 HydrophobicContact CD1-CD2 3.73Å; F61-L97 HydrophobicContact CE1-CD2 3.96Å; F65-L97 HydrophobicContact CD1-CD2 3.77Å; F65-L97 HydrophobicContact CE1-CD2 3.48Å; F65-L97 VanDerWaalsContact CE1-CD2 3.48Å; F65-L97 HydrophobicContact CE2-CD2 4.49Å; F65-L97 HydrophobicContact CG-CD2 4.4Å; F65-L97 HydrophobicContact CZ-CD2 3.88Å; L97-I120 HydrophobicContact CD1-CD1 4.22Å; L97-W272 VanDerWaalsContact C-CZ3 3.46Å
98F98.4Very high96.3Very high0 Ų029.3 Ų29.30%018%0.175CC..EExtended strand (participates in β ladder)trans-129111.7169.7174.4-118.8000109.3F15 L16 W17 V59 G60 H100 I232 W272 F274F15-F98 HydrophobicContact CB-CE2 4.07Å; F15-F98 HydrophobicContact CB-CZ 4.47Å; F15-F98 HydrophobicContact CD1-CE2 4.07Å; F15-F98 AromaticContact CD1-CZ 3.71Å; F15-F98 HydrophobicContact CD1-CZ 3.71Å; F15-F98 HydrophobicContact CE1-CZ 4.4Å; F15-F98 HydrophobicContact CG-CE2 4.49Å; F15-F98 HydrophobicContact CG-CZ 4.4Å; L16-F98 CarbonylContact O-C 3.52Å; L16-F98 WeakPolarHBondContact O-CA 3.47Å; W17-F98 AromaticContact CD1-CD2 3.54Å; W17-F98 HydrophobicContact CD2-CD2 4.15Å; W17-F98 HydrophobicContact CD2-CE2 4.13Å; W17-F98 AromaticContact CE2-CD2 3.82Å; W17-F98 AromaticContact CE2-CE2 3.56Å; W17-F98 HydrophobicContact CG-CD2 4.02Å; W17-F98 HydrophobicContact CG-CE2 4.48Å; W17-F98 HydrophobicContact CH2-CE2 4.5Å; W17-F98 AromaticContact CZ2-CE2 3.79Å; W17-F98 HydrophobicContact CZ2-CE2 3.79Å; W17-F98 AromaticContact NE1-CD2 3.39Å; W17-F98 AromaticContact NE1-CE2 3.53Å; V59-F98 CarbonylContact C-O 3.55Å; V59-F98 WeakPolarHBondContact CA-O 3.48Å; G60-F98 PolarHBondContact N-O 3.24Å; G60-F98 PolarHBondContact O-N 3.04Å; F98-H100 HydrophobicContact CE1-CB 3.98Å; F98-H100 HydrophobicContact CZ-CB 4.11Å; F98-I232 HydrophobicContact CE1-CD1 3.73Å; F98-I232 HydrophobicContact CZ-CD1 4.1Å; F98-W272 HydrophobicContact CB-CD2 3.32Å; F98-W272 VanDerWaalsContact CB-CE2 3.44Å; F98-W272 HydrophobicContact CB-CE3 3.41Å; F98-W272 VanDerWaalsContact CB-CE3 3.41Å; F98-W272 HydrophobicContact CB-CG 3.95Å; F98-W272 HydrophobicContact CB-CH2 3.76Å; F98-W272 HydrophobicContact CB-CZ2 3.71Å; F98-W272 HydrophobicContact CB-CZ3 3.62Å; F98-W272 AromaticContact CD1-CD1 3.9Å; F98-W272 HydrophobicContact CD1-CD2 4.31Å; F98-W272 HydrophobicContact CD1-CG 4.12Å; F98-W272 AromaticContact CD1-NE1 3.98Å; F98-W272 HydrophobicContact CG-CD2 4.06Å; F98-W272 AromaticContact CG-CE2 3.85Å; F98-W272 HydrophobicContact CG-CG 4.34Å; F98-W272 HydrophobicContact CG-CZ2 4.24Å; F98-W272 AromaticContact CG-NE1 3.95Å; F98-F274 HydrophobicContact CD1-CE2 4.01Å; F98-F274 AromaticContact CD1-CZ 3.82Å; F98-F274 HydrophobicContact CD1-CZ 3.82Å; F98-F274 HydrophobicContact CE1-CZ 4.14Å
99V98.2Very high97Very high3 Ų327.4 Ų27.42%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-96.7121.8175.5-178.80000108.1L16 V59 F112 I116L16-V99 HydrophobicContact CB-CB 4.14Å; L16-V99 HydrophobicContact CD2-CB 4.22Å; L16-V99 HydrophobicContact CD2-CG2 4.37Å; L16-V99 HydrophobicContact CG-CB 4.43Å; L16-V99 PolarHBondContact N-O 2.91Å; L16-V99 PolarHBondContact O-N 3.27Å; V59-V99 HydrophobicContact CB-CG2 4.41Å; V59-V99 HydrophobicContact CG2-CG2 4.06Å; V99-F112 HydrophobicContact CG1-CE1 3.99Å; V99-I116 HydrophobicContact CG1-CD1 4.04Å; V99-I116 HydrophobicContact CG2-CD1 4.46Å
100H98.3Very high97.4Very high1 Ų132.3 Ų32.31%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-112.4128.7169.7-177.2-117000108.7D4 L14 F15 H57 G58 F98 I232D4-H100 IonicContact OD1-CE1 2.76Å; D4-H100 PolarHBondContact OD1-CE1 3.46Å; D4-H100 IonicContact OD1-ND1 2.69Å; D4-H100 PolarHBondContact OD1-ND1 3.28Å; D4-H100 IonicContact OD2-CE1 3.8Å; D4-H100 IonicContact OD2-CG 2.75Å; D4-H100 IonicContact OD2-ND1 3.74Å; D4-H100 PolarHBondContact OD2-ND1 3.04Å; L14-H100 WeakPolarHBondContact O-CA 3.43Å; L14-H100 PolarHBondContact O-CD2 3.3Å; L14-H100 VanDerWaalsContact O-CD2 3.3Å; F15-H100 AromaticContact CE1-CD2 3.97Å; F15-H100 AromaticContact CE2-CD2 3.81Å; F15-H100 AromaticContact CE2-NE2 3.7Å; F15-H100 AromaticContact CZ-CD2 3.76Å; F15-H100 AromaticContact CZ-NE2 3.56Å; H57-H100 WeakPolarHBondContact CA-O 3.48Å; G58-H100 PolarHBondContact N-O 2.85Å; G58-H100 PolarHBondContact O-N 3.36Å; F98-H100 HydrophobicContact CE1-CB 3.98Å; F98-H100 HydrophobicContact CZ-CB 4.11Å; H100-I232 HydrophobicContact CB-CD1 4.07Å
101A98Very high97.6Very high0 Ų035.5 Ų35.50%020%0.196CC..EExtended strand (participates in β ladder)trans-142150.7178.500000111.2G13 L14 V56 H57 L109 F112G13-A101 CarbonylContact C-O 3.44Å; G13-A101 VanDerWaalsContact CA-O 3.25Å; G13-A101 WeakPolarHBondContact CA-O 3.39Å; L14-A101 HydrophobicContact CB-CB 4.24Å; L14-A101 HydrophobicContact CD2-CB 4.37Å; L14-A101 PolarHBondContact N-O 3.4Å; L14-A101 PolarHBondContact O-N 3.4Å; L14-A101 VanDerWaalsContact O-N 3.13Å; V56-A101 CarbonylContact O-C 3.43Å; V56-A101 WeakPolarHBondContact O-CA 3.42Å; H57-A101 HydrophobicContact CB-CB 3.82Å; A101-L109 HydrophobicContact CB-CD2 3.78Å; A101-F112 HydrophobicContact CB-CD1 3.93Å; A101-F112 HydrophobicContact CB-CE1 3.89Å
102K97.8Very high97.7Very high2 Ų233.4 Ų33.41%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-132.2137.6-176.3-61177.5-64.7-167.40110.3D4 S7 D8 R10 N12 V56D4-K102 PolarHBondContact O-NZ 2.9Å; D4-K102 WeakPolarHBondContact OD1-CE 3.41Å; D4-K102 IonicContact OD1-NZ 3.18Å; S7-K102 PolarHBondContact O-NZ 3.41Å; S7-K102 WeakPolarHBondContact OG-CE 2.93Å; S7-K102 PolarHBondContact OG-NZ 2.91Å; D8-K102 WeakPolarHBondContact O-CE 3.14Å; D8-K102 PolarHBondContact O-NZ 3.4Å; R10-K102 HydrophobicContact CB-CB 3.87Å; R10-K102 HydrophobicContact CG-CB 3.62Å; N12-K102 WeakPolarHBondContact O-CA 3.18Å; V56-K102 PolarHBondContact N-O 2.66Å; V56-K102 PolarHBondContact O-N 3.42Å
103S97.8Very high97.9Very high0 Ų030 Ų300%017%0.165CC..EExtended strand (participates in β ladder)trans-161152.7174.8177.40000110.7N12 D53 S105N12-S103 WeakPolarHBondContact CB-O 3.43Å; N12-S103 PolarHBondContact N-O 2.77Å; N12-S103 VanDerWaalsContact N-O 3.07Å; N12-S103 PolarHBondContact ND2-O 3.44Å; N12-S103 VanDerWaalsContact ND2-O 3.15Å; N12-S103 PolarHBondContact O-N 2.81Å; N12-S103 VanDerWaalsContact O-N 3.09Å; D53-S103 VanDerWaalsContact C-OG 3.27Å; D53-S103 WeakPolarHBondContact CA-OG 3.43Å; D53-S103 PolarHBondContact O-OG 2.99Å; S103-S105 PolarHBondContact O-N 2.59Å; S103-S105 PolarHBondContact OG-N 3.08Å
104D97.9Very high98Very high36 Ų3633.7 Ų33.719%0.19317%0.172CC..SBendtrans-70.9-16.8167.9-80.920.4000112.7K11 N12 S52K11-D104 HydrophobicContact CB-CB 4.44Å; K11-D104 HydrophobicContact CD-CB 4.21Å; K11-D104 WeakPolarHBondContact CD-OD2 3.29Å; K11-D104 VanDerWaalsContact CE-OD2 3.29Å; K11-D104 WeakPolarHBondContact CE-OD2 3.26Å; K11-D104 HydrophobicContact CG-CB 4.46Å; K11-D104 WeakPolarHBondContact CG-OD1 3.42Å; K11-D104 PolarHBondContact N-OD1 2.73Å; K11-D104 IonicContact NZ-OD2 2.76Å; K11-D104 PolarHBondContact NZ-OD2 3.29Å; N12-D104 PolarHBondContact ND2-O 2.91Å; S52-D104 VanDerWaalsContact O-CB 3.32Å; S52-D104 WeakPolarHBondContact O-CB 3.23Å; S52-D104 PolarHBondContact O-N 3.28Å
105S97.9Very high98.1Very high25 Ų2533.5 Ų33.518%0.17517%0.165CC..  trans-98.5106.4173.7177.60000111.1S103 S107 N108 L109S103-S105 PolarHBondContact O-N 2.59Å; S103-S105 PolarHBondContact OG-N 3.08Å; S105-S107 PolarHBondContact O-N 3.41Å; S105-S107 PolarHBondContact OG-N 3.38Å; S105-N108 VanDerWaalsContact CB-CG 3.4Å; S105-N108 WeakPolarHBondContact CB-OD1 3.48Å; S105-N108 PolarHBondContact O-N 3.17Å; S105-N108 VanDerWaalsContact O-N 3.15Å; S105-N108 PolarHBondContact OG-N 3.36Å; S105-N108 VanDerWaalsContact OG-N 3.09Å; S105-N108 PolarHBondContact OG-OD1 2.97Å; S105-L109 PolarHBondContact O-N 2.71Å
106R97.4Very high98.2Very high136 Ų13633.1 Ų33.151%0.51316%0.159SC..Hα-helixtrans-60.3-31.1169.1-172.9178.6176.1-146.70111.9N12 N108 L109 F110 Y131N12-R106 HydrophobicContact CB-CB 4.5Å; R106-N108 VanDerWaalsContact C-N 3.32Å; R106-N108 PolarHBondContact O-N 2.9Å; R106-L109 PolarHBondContact O-N 3.46Å; R106-F110 PolarHBondContact O-N 3.43Å; R106-Y131 HydrophobicContact CG-CD1 4.18Å; R106-Y131 HydrophobicContact CG-CG 4.5Å
107S98Very high98.1Very high88 Ų8831.9 Ų31.962%0.61515%0.153SC*.Hα-helixtrans-62.2-40.5175.2-166.20000111.5S105 L109 F110 E111S105-S107 PolarHBondContact O-N 3.41Å; S105-S107 PolarHBondContact OG-N 3.38Å; S107-L109 VanDerWaalsContact C-N 3.35Å; S107-F110 PolarHBondContact O-N 3.4Å; S107-E111 PolarHBondContact O-N 3.16Å
108N98.1Very high98.1Very high25 Ų2535.1 Ų35.113%0.13417%0.171CC..Hα-helixtrans-66.7-40.1178.3-65.613.6000110.7I43 D53 L55 S105 R106 F110 E111 F112I43-N108 HydrophobicContact CG2-CB 3.68Å; D53-N108 PolarHBondContact O-ND2 2.76Å; L55-N108 HydrophobicContact CD1-CB 4.36Å; L55-N108 HydrophobicContact CD2-CB 4.16Å; L55-N108 HydrophobicContact CG-CB 4.26Å; S105-N108 VanDerWaalsContact CB-CG 3.4Å; S105-N108 WeakPolarHBondContact CB-OD1 3.48Å; S105-N108 PolarHBondContact O-N 3.17Å; S105-N108 VanDerWaalsContact O-N 3.15Å; S105-N108 PolarHBondContact OG-N 3.36Å; S105-N108 VanDerWaalsContact OG-N 3.09Å; S105-N108 PolarHBondContact OG-OD1 2.97Å; R106-N108 VanDerWaalsContact C-N 3.32Å; R106-N108 PolarHBondContact O-N 2.9Å; N108-F110 VanDerWaalsContact C-N 3.34Å; N108-E111 PolarHBondContact O-N 3.07Å; N108-F112 VanDerWaalsContact O-CB 3.3Å; N108-F112 WeakPolarHBondContact O-CB 3.22Å; N108-F112 PolarHBondContact O-N 3.34Å
109L98.5Very high98.1Very high0 Ų039.8 Ų39.80%019%0.191CC..Hα-helixtrans-64-39.7175.5-67.1172000112.2N12 L14 L55 A101 S105 R106 S107 F112 S113 Y131N12-L109 HydrophobicContact CB-CD1 3.56Å; L14-L109 HydrophobicContact CB-CB 4.22Å; L14-L109 HydrophobicContact CB-CD2 3.92Å; L14-L109 HydrophobicContact CB-CG 4.45Å; L55-L109 HydrophobicContact CD2-CD2 3.56Å; L55-L109 HydrophobicContact CD2-CG 4.23Å; A101-L109 HydrophobicContact CB-CD2 3.78Å; S105-L109 PolarHBondContact O-N 2.71Å; R106-L109 PolarHBondContact O-N 3.46Å; S107-L109 VanDerWaalsContact C-N 3.35Å; L109-F112 PolarHBondContact O-N 2.91Å; L109-S113 PolarHBondContact O-N 2.98Å; L109-Y131 HydrophobicContact CB-CD1 4.11Å; L109-Y131 HydrophobicContact CB-CE1 3.9Å
110F98.6Very high98.1Very high113 Ų11339.7 Ų39.750%0.49619%0.19SC..Hα-helixtrans-62.1-50.3175.8178.4-86.4000111.4R106 S107 N108 F112 S113 W114 Y131R106-F110 PolarHBondContact O-N 3.43Å; S107-F110 PolarHBondContact O-N 3.4Å; N108-F110 VanDerWaalsContact C-N 3.34Å; F110-F112 VanDerWaalsContact C-N 3.27Å; F110-F112 PolarHBondContact O-N 2.84Å; F110-S113 WeakPolarHBondContact O-CB 3.3Å; F110-S113 PolarHBondContact O-N 3.01Å; F110-W114 WeakPolarHBondContact O-CB 3.32Å; F110-W114 PolarHBondContact O-N 3.42Å; F110-Y131 WeakPolarHBondContact CA-OH 3.42Å; F110-Y131 HydrophobicContact CB-CE1 4.43Å
111E98.5Very high98Very high72 Ų7246.8 Ų46.834%0.33622%0.221SC..Hα-helixtrans-60.4-39.6177.7-169.565.8-169.100111.2I43 S107 N108 W114 L115I43-E111 HydrophobicContact CD1-CB 4Å; I43-E111 HydrophobicContact CD1-CG 3.96Å; I43-E111 HydrophobicContact CG1-CB 4.19Å; I43-E111 HydrophobicContact CG1-CG 3.76Å; I43-E111 HydrophobicContact CG2-CB 4.4Å; S107-E111 PolarHBondContact O-N 3.16Å; N108-E111 PolarHBondContact O-N 3.07Å; E111-W114 WeakPolarHBondContact O-CB 3.39Å; E111-W114 PolarHBondContact O-N 2.95Å; E111-W114 VanDerWaalsContact OE1-CE3 3.3Å; E111-W114 WeakPolarHBondContact OE1-CZ3 2.94Å; E111-L115 HydrophobicContact CG-CD1 4.42Å; E111-L115 HydrophobicContact CG-CG 4.46Å; E111-L115 WeakPolarHBondContact O-CG 3.15Å; E111-L115 PolarHBondContact O-N 3.3Å
112F98.3Very high98Very high0 Ų053 Ų530%025%0.25CS..Hα-helixtrans-62.3-47.6177.3-168.6-120000112L14 L36 L39 A40 I43 L55 H57 V99 A101 N108 L109 F110 W114 L115 I116L14-F112 HydrophobicContact CD2-CD1 4.16Å; L36-F112 HydrophobicContact CB-CZ 4.31Å; L36-F112 HydrophobicContact CD2-CE2 4.38Å; L36-F112 HydrophobicContact CD2-CZ 4.02Å; L39-F112 HydrophobicContact CB-CD2 4.31Å; L39-F112 HydrophobicContact CB-CE2 4.09Å; A40-F112 HydrophobicContact CB-CE2 4.06Å; I43-F112 VanDerWaalsContact CD1-CA 3.42Å; I43-F112 HydrophobicContact CD1-CB 3.65Å; I43-F112 HydrophobicContact CD1-CD2 3.91Å; I43-F112 HydrophobicContact CD1-CG 4.29Å; I43-F112 VanDerWaalsContact CD1-N 3.33Å; L55-F112 HydrophobicContact CD1-CB 4.16Å; L55-F112 HydrophobicContact CD1-CD2 4.11Å; L55-F112 HydrophobicContact CD1-CG 4.23Å; L55-F112 HydrophobicContact CD2-CB 4.25Å; L55-F112 HydrophobicContact CD2-CG 4.43Å; H57-F112 HydrophobicContact CB-CE1 3.87Å; H57-F112 HydrophobicContact CB-CZ 3.98Å; H57-F112 AromaticContact CG-CZ 3.81Å; V99-F112 HydrophobicContact CG1-CE1 3.99Å; A101-F112 HydrophobicContact CB-CD1 3.93Å; A101-F112 HydrophobicContact CB-CE1 3.89Å; N108-F112 VanDerWaalsContact O-CB 3.3Å; N108-F112 WeakPolarHBondContact O-CB 3.22Å; N108-F112 PolarHBondContact O-N 3.34Å; L109-F112 PolarHBondContact O-N 2.91Å; F110-F112 VanDerWaalsContact C-N 3.27Å; F110-F112 PolarHBondContact O-N 2.84Å; F112-W114 VanDerWaalsContact C-N 3.3Å; F112-W114 PolarHBondContact O-N 3.37Å; F112-L115 PolarHBondContact O-N 2.99Å; F112-I116 HydrophobicContact CD1-CD1 3.76Å; F112-I116 HydrophobicContact CD2-CD1 4.27Å; F112-I116 HydrophobicContact CE1-CD1 3.57Å; F112-I116 HydrophobicContact CE2-CD1 4.1Å; F112-I116 HydrophobicContact CG-CD1 4.12Å; F112-I116 HydrophobicContact CZ-CD1 3.76Å; F112-I116 WeakPolarHBondContact O-CD1 3.08Å; F112-I116 VanDerWaalsContact O-CG1 3.22Å; F112-I116 WeakPolarHBondContact O-CG1 3.19Å; F112-I116 PolarHBondContact O-N 2.79Å; F112-I116 VanDerWaalsContact O-N 3.13Å
113S98.4Very high98.1Very high4 Ų454.2 Ų54.23%0.02826%0.255CS..Hα-helixtrans-57-44.7173.3-173.80000111.4L109 F110 T117 Y131L109-S113 PolarHBondContact O-N 2.98Å; F110-S113 WeakPolarHBondContact O-CB 3.3Å; F110-S113 PolarHBondContact O-N 3.01Å; S113-T117 WeakPolarHBondContact O-CB 3.09Å; S113-T117 VanDerWaalsContact O-CG2 3.31Å; S113-T117 WeakPolarHBondContact O-CG2 3.38Å; S113-T117 PolarHBondContact O-N 2.79Å; S113-T117 PolarHBondContact O-OG1 2.91Å; S113-Y131 WeakPolarHBondContact CB-OH 3.27Å
114W98.4Very high98.1Very high122 Ų12255 Ų5546%0.46226%0.259SS..Hα-helixtrans-64.7-46.5180-179.276.8000112.9F110 E111 F112 T117 N118F110-W114 WeakPolarHBondContact O-CB 3.32Å; F110-W114 PolarHBondContact O-N 3.42Å; E111-W114 WeakPolarHBondContact O-CB 3.39Å; E111-W114 PolarHBondContact O-N 2.95Å; E111-W114 VanDerWaalsContact OE1-CE3 3.3Å; E111-W114 WeakPolarHBondContact OE1-CZ3 2.94Å; F112-W114 VanDerWaalsContact C-N 3.3Å; F112-W114 PolarHBondContact O-N 3.37Å; W114-T117 PolarHBondContact O-OG1 3Å; W114-N118 VanDerWaalsContact CD2-ND2 3.26Å; W114-N118 WeakPolarHBondContact CZ2-ND2 3.39Å; W114-N118 PolarHBondContact NE1-ND2 3.01Å; W114-N118 VanDerWaalsContact O-CB 3.26Å; W114-N118 WeakPolarHBondContact O-CB 3.14Å; W114-N118 VanDerWaalsContact O-CG 3.27Å; W114-N118 PolarHBondContact O-N 3.26Å; W114-N118 PolarHBondContact O-ND2 3.19Å
115L98.1Very high98.1Very high22 Ų2259.1 Ų59.112%0.11528%0.278CS..Hα-helixtrans-62.8-45.1178.9-72.3-179.7000111.9L39 I43 E111 F112 K119L39-L115 HydrophobicContact CB-CD1 4.43Å; L39-L115 HydrophobicContact CD1-CB 4.45Å; I43-L115 HydrophobicContact CD1-CD1 3.91Å; I43-L115 HydrophobicContact CG1-CD1 3.91Å; E111-L115 HydrophobicContact CG-CD1 4.42Å; E111-L115 HydrophobicContact CG-CG 4.46Å; E111-L115 WeakPolarHBondContact O-CG 3.15Å; E111-L115 PolarHBondContact O-N 3.3Å; F112-L115 PolarHBondContact O-N 2.99Å; L115-K119 WeakPolarHBondContact O-CG 3.36Å; L115-K119 PolarHBondContact O-N 3Å; L115-K119 VanDerWaalsContact O-N 3.07Å
116I98.1Very high98.1Very high6 Ų661.6 Ų61.63%0.03129%0.291CS..Hα-helixtrans-60.8-55.5177.9-65166.7000109.9I18 L36 L39 V99 F112 N118 K119 I120I18-I116 HydrophobicContact CD1-CG2 4.39Å; L36-I116 HydrophobicContact CD2-CD1 3.5Å; L36-I116 HydrophobicContact CD2-CG1 3.53Å; L39-I116 HydrophobicContact CD1-CG1 4.09Å; V99-I116 HydrophobicContact CG1-CD1 4.04Å; V99-I116 HydrophobicContact CG2-CD1 4.46Å; F112-I116 HydrophobicContact CD1-CD1 3.76Å; F112-I116 HydrophobicContact CD2-CD1 4.27Å; F112-I116 HydrophobicContact CE1-CD1 3.57Å; F112-I116 HydrophobicContact CE2-CD1 4.1Å; F112-I116 HydrophobicContact CG-CD1 4.12Å; F112-I116 HydrophobicContact CZ-CD1 3.76Å; F112-I116 WeakPolarHBondContact O-CD1 3.08Å; F112-I116 VanDerWaalsContact O-CG1 3.22Å; F112-I116 WeakPolarHBondContact O-CG1 3.19Å; F112-I116 PolarHBondContact O-N 2.79Å; F112-I116 VanDerWaalsContact O-N 3.13Å; I116-N118 VanDerWaalsContact C-N 3.28Å; I116-N118 PolarHBondContact O-N 2.92Å; I116-K119 PolarHBondContact O-N 3.28Å; I116-I120 VanDerWaalsContact O-CG1 3.3Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 2.95Å
117T98.1Very high98.2Very high11 Ų1159.7 Ų59.77%0.06729%0.287CS..Hα-helixtrans-64.9-31.7-17553.40000112.5L16 S113 W114 K121 I124 F127L16-T117 HydrophobicContact CD1-CG2 4.14Å; L16-T117 HydrophobicContact CD2-CG2 4.08Å; S113-T117 WeakPolarHBondContact O-CB 3.09Å; S113-T117 VanDerWaalsContact O-CG2 3.31Å; S113-T117 WeakPolarHBondContact O-CG2 3.38Å; S113-T117 PolarHBondContact O-N 2.79Å; S113-T117 PolarHBondContact O-OG1 2.91Å; W114-T117 PolarHBondContact O-OG1 3Å; T117-K121 VanDerWaalsContact O-CA 3.23Å; T117-K121 WeakPolarHBondContact O-CA 3.41Å; T117-K121 WeakPolarHBondContact O-CB 3.24Å; T117-K121 PolarHBondContact O-N 2.9Å; T117-I124 HydrophobicContact CG2-CD1 4.16Å; T117-F127 HydrophobicContact CG2-CD1 4.32Å; T117-F127 HydrophobicContact CG2-CD2 3.92Å; T117-F127 HydrophobicContact CG2-CE1 4.39Å; T117-F127 HydrophobicContact CG2-CE2 4.01Å; T117-F127 HydrophobicContact CG2-CG 4.07Å; T117-F127 HydrophobicContact CG2-CZ 4.24Å
118N98Very high98.1Very high72 Ų7258.8 Ų58.839%0.38528%0.275SS..Hα-helixtrans-70.3-41.1173.6-79.4-28.3000113.5W114 I116 I120 K121W114-N118 VanDerWaalsContact CD2-ND2 3.26Å; W114-N118 WeakPolarHBondContact CZ2-ND2 3.39Å; W114-N118 PolarHBondContact NE1-ND2 3.01Å; W114-N118 VanDerWaalsContact O-CB 3.26Å; W114-N118 WeakPolarHBondContact O-CB 3.14Å; W114-N118 VanDerWaalsContact O-CG 3.27Å; W114-N118 PolarHBondContact O-N 3.26Å; W114-N118 PolarHBondContact O-ND2 3.19Å; I116-N118 VanDerWaalsContact C-N 3.28Å; I116-N118 PolarHBondContact O-N 2.92Å; N118-I120 VanDerWaalsContact C-N 3.29Å; N118-I120 PolarHBondContact O-N 2.86Å; N118-K121 VanDerWaalsContact O-CB 3.32Å; N118-K121 WeakPolarHBondContact O-CB 3.15Å; N118-K121 PolarHBondContact O-N 2.86Å
119K97.7Very high98Very high97 Ų9760 Ų6042%0.42228%0.282SS..Hα-helixtrans-61-38.4-179.7-86.7-176.9169.4-113.90112.6T32 E35 L39 L115 I116T32-K119 HydrophobicContact CG2-CB 3.84Å; T32-K119 HydrophobicContact CG2-CD 3.98Å; E35-K119 IonicContact OE2-NZ 2.76Å; E35-K119 PolarHBondContact OE2-NZ 3.06Å; L39-K119 HydrophobicContact CD1-CD 4.04Å; L39-K119 HydrophobicContact CD2-CD 4.07Å; L39-K119 VanDerWaalsContact CD2-CE 3.48Å; L115-K119 WeakPolarHBondContact O-CG 3.36Å; L115-K119 PolarHBondContact O-N 3Å; L115-K119 VanDerWaalsContact O-N 3.07Å; I116-K119 PolarHBondContact O-N 3.28Å
120I97.7Very high97.9Very high2 Ų261 Ų611%0.0129%0.287CS..THydrogen-bonded Turntrans-107.415.6-179.557.5157.8000113.4I18 I29 T32 L97 I116 N118 E122 F123 I124I18-I120 HydrophobicContact CD1-CD1 4.15Å; I29-I120 HydrophobicContact CB-CG2 4.49Å; I29-I120 HydrophobicContact CG1-CB 4.49Å; I29-I120 HydrophobicContact CG1-CG2 4.16Å; T32-I120 HydrophobicContact CG2-CG2 4.01Å; T32-I120 WeakPolarHBondContact OG1-CG2 3.42Å; L97-I120 HydrophobicContact CD1-CD1 4.22Å; I116-I120 VanDerWaalsContact O-CG1 3.3Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 2.95Å; N118-I120 VanDerWaalsContact C-N 3.29Å; N118-I120 PolarHBondContact O-N 2.86Å; I120-E122 PolarHBondContact O-N 3.03Å; I120-F123 HydrophobicContact CB-CD2 4.15Å; I120-F123 HydrophobicContact CG2-CD2 4.48Å; I120-F123 WeakPolarHBondContact O-CB 3.33Å; I120-F123 PolarHBondContact O-N 2.84Å; I120-I124 HydrophobicContact CD1-CD1 3.94Å; I120-I124 HydrophobicContact CD1-CG1 3.97Å; I120-I124 HydrophobicContact CG1-CD1 3.87Å; I120-I124 HydrophobicContact CG1-CG1 4.1Å; I120-I124 PolarHBondContact O-N 2.95Å
121K98Very high97.9Very high149 Ų14956.9 Ų56.965%0.64827%0.269SS*.THydrogen-bonded Turntrans-46-42-176.5154.6179.8168.3-178.90113.7T117 N118 F123 I124T117-K121 VanDerWaalsContact O-CA 3.23Å; T117-K121 WeakPolarHBondContact O-CA 3.41Å; T117-K121 WeakPolarHBondContact O-CB 3.24Å; T117-K121 PolarHBondContact O-N 2.9Å; N118-K121 VanDerWaalsContact O-CB 3.32Å; N118-K121 WeakPolarHBondContact O-CB 3.15Å; N118-K121 PolarHBondContact O-N 2.86Å; K121-F123 PolarHBondContact O-N 2.89Å; K121-I124 PolarHBondContact O-N 3.21Å
122E98Very high97.8Very high132 Ų13253.6 Ų53.662%0.61725%0.254SS*.THydrogen-bonded Turntrans-67.6-23-17667.3-176.3136.600112.8K21 I120K21-E122 WeakPolarHBondContact CD-O 3.48Å; K21-E122 WeakPolarHBondContact CE-O 3.36Å; K21-E122 PolarHBondContact NZ-O 3.05Å; I120-E122 PolarHBondContact O-N 3.03Å
123F98.3Very high97.8Very high26 Ų2656.6 Ų56.611%0.11427%0.267CS..THydrogen-bonded Turntrans-96.2-16.4-179.2-52.4-66.9000113.7L20 K21 A24 P28 I29 I120 K121L20-F123 CarbonylContact C-O 3.5Å; L20-F123 VanDerWaalsContact CA-O 3.29Å; L20-F123 WeakPolarHBondContact CA-O 3.26Å; L20-F123 HydrophobicContact CD2-CB 4.17Å; K21-F123 PolarHBondContact N-O 3.19Å; A24-F123 HydrophobicContact CB-CB 3.97Å; A24-F123 HydrophobicContact CB-CD1 3.95Å; A24-F123 HydrophobicContact CB-CG 4.37Å; P28-F123 HydrophobicContact CB-CE2 3.71Å; P28-F123 HydrophobicContact CB-CZ 4.01Å; P28-F123 HydrophobicContact CG-CD2 4.24Å; P28-F123 HydrophobicContact CG-CE1 4.01Å; P28-F123 HydrophobicContact CG-CE2 3.37Å; P28-F123 HydrophobicContact CG-CZ 3.25Å; I29-F123 HydrophobicContact CD1-CB 3.93Å; I29-F123 HydrophobicContact CD1-CG 4.1Å; I29-F123 HydrophobicContact CG1-CB 4.14Å; I29-F123 HydrophobicContact CG1-CD2 4Å; I29-F123 HydrophobicContact CG1-CG 4.1Å; I120-F123 HydrophobicContact CB-CD2 4.15Å; I120-F123 HydrophobicContact CG2-CD2 4.48Å; I120-F123 WeakPolarHBondContact O-CB 3.33Å; I120-F123 PolarHBondContact O-N 2.84Å; K121-F123 PolarHBondContact O-N 2.89Å
124I98.4Very high97.6Very high16 Ų1659.5 Ų59.58%0.08228%0.284CS..EExtended strand (participates in β ladder)trans-78127.6-179.6-62.6178.1000110.5I18 L20 K21 T117 I120 K121 T126 F127I18-I124 HydrophobicContact CG2-CD1 4Å; I18-I124 HydrophobicContact CG2-CG1 3.73Å; I18-I124 HydrophobicContact CG2-CG2 4.2Å; L20-I124 HydrophobicContact CD2-CG1 4.49Å; K21-I124 WeakPolarHBondContact CE-O 3.2Å; T117-I124 HydrophobicContact CG2-CD1 4.16Å; I120-I124 HydrophobicContact CD1-CD1 3.94Å; I120-I124 HydrophobicContact CD1-CG1 3.97Å; I120-I124 HydrophobicContact CG1-CD1 3.87Å; I120-I124 HydrophobicContact CG1-CG1 4.1Å; I120-I124 PolarHBondContact O-N 2.95Å; K121-I124 PolarHBondContact O-N 3.21Å; I124-T126 WeakPolarHBondContact CG2-O 3.24Å; I124-F127 HydrophobicContact CD1-CD1 4.46Å; I124-F127 HydrophobicContact CG2-CB 4.18Å; I124-F127 HydrophobicContact CG2-CD1 3.97Å
125E98.3Very high97.3Very high124 Ų12455.8 Ų55.858%0.57927%0.27SS*.EExtended strand (participates in β ladder)trans-83.2-53.8166.9178.863.1-163.300110H19 K21H19-E125 PolarHBondContact O-N 2.74Å; K21-E125 HydrophobicContact CG-CB 4.03Å
126T98.1Very high96.9Very high76 Ų7661.1 Ų61.147%0.46629%0.293SS..EExtended strand (participates in β ladder)trans-146153.617456.30000110.1H19 I124H19-T126 PolarHBondContact N-O 3.19Å; H19-T126 PolarHBondContact O-N 3.2Å; H19-T126 VanDerWaalsContact O-O 3.11Å; I124-T126 WeakPolarHBondContact CG2-O 3.24Å
127F97.8Very high96.3Very high96 Ų9665.5 Ų65.542%0.42132%0.316SS..EExtended strand (participates in β ladder)trans-142.3160.6167.172.9-87.1000109.8L16 W17 I18 T117 I124L16-F127 HydrophobicContact CD1-CB 4.17Å; L16-F127 HydrophobicContact CD1-CD2 3.72Å; L16-F127 HydrophobicContact CD1-CG 4.35Å; W17-F127 CarbonylContact O-C 3.59Å; W17-F127 WeakPolarHBondContact O-CA 3.33Å; W17-F127 WeakPolarHBondContact O-CB 3.37Å; I18-F127 HydrophobicContact CG1-CB 4.18Å; T117-F127 HydrophobicContact CG2-CD1 4.32Å; T117-F127 HydrophobicContact CG2-CD2 3.92Å; T117-F127 HydrophobicContact CG2-CE1 4.39Å; T117-F127 HydrophobicContact CG2-CE2 4.01Å; T117-F127 HydrophobicContact CG2-CG 4.07Å; T117-F127 HydrophobicContact CG2-CZ 4.24Å; I124-F127 HydrophobicContact CD1-CD1 4.46Å; I124-F127 HydrophobicContact CG2-CB 4.18Å; I124-F127 HydrophobicContact CG2-CD1 3.97Å
128N96.2Very high95.7Very high69 Ų6966.3 Ų66.337%0.36933%0.327SS..EExtended strand (participates in β ladder)trans-140.6125.6174.4-179.741.3000108.7L16 W17 Q268L16-N128 WeakPolarHBondContact CA-O 3.31Å; W17-N128 PolarHBondContact N-O 2.79Å; W17-N128 PolarHBondContact O-N 2.84Å; N128-Q268 PolarHBondContact ND2-NE2 3.15Å
129D96.9Very high95Very high50 Ų5066.7 Ų66.727%0.26732%0.323SS..EExtended strand (participates in β ladder)trans-110.3128.7172.863.2-31.1000111L14 F15 L16 Y131L14-D129 HydrophobicContact CD1-CB 3.97Å; F15-D129 WeakPolarHBondContact O-CA 3.47Å; L16-D129 HydrophobicContact CD1-CB 4.11Å; D129-Y131 HydrophobicContact CB-CE2 4.28Å; D129-Y131 WeakPolarHBondContact OD2-CE2 3.4Å; D129-Y131 VanDerWaalsContact OD2-CZ 3.31Å; D129-Y131 PolarHBondContact OD2-OH 3.48Å
130I97.2Very high94.3Very high22 Ų2263 Ų6311%0.11331%0.308CS..EExtended strand (participates in β ladder)trans-124.6134.1171.5-50.1177.7000108.5F15 W17 F220 L230F15-I130 PolarHBondContact N-O 2.76Å; F15-I130 PolarHBondContact O-N 3.29Å; W17-I130 HydrophobicContact CH2-CD1 4.46Å; W17-I130 HydrophobicContact CZ3-CB 4.22Å; W17-I130 HydrophobicContact CZ3-CD1 3.97Å; W17-I130 HydrophobicContact CZ3-CG1 3.97Å; I130-F220 HydrophobicContact CD1-CE2 4.42Å; I130-F220 HydrophobicContact CG2-CB 3.83Å; I130-F220 HydrophobicContact CG2-CD2 3.49Å; I130-F220 VanDerWaalsContact CG2-CD2 3.49Å; I130-F220 HydrophobicContact CG2-CE2 4.16Å; I130-F220 HydrophobicContact CG2-CG 3.71Å; I130-L230 HydrophobicContact CB-CD1 4.03Å; I130-L230 HydrophobicContact CB-CD2 4.16Å; I130-L230 HydrophobicContact CD1-CD2 4.02Å; I130-L230 HydrophobicContact CG2-CD1 3.76Å; I130-L230 HydrophobicContact CG2-CD2 3.97Å; I130-L230 HydrophobicContact CG2-CG 4.36Å
131Y97.8Very high93.6Very high27 Ų2764.4 Ų64.411%0.10632%0.315CS..EExtended strand (participates in β ladder)trans-100.9116.9178-57.7-93.8000109.4G13 L14 R106 L109 F110 S113 D129G13-Y131 CarbonylContact O-C 3.12Å; G13-Y131 VanDerWaalsContact O-CA 3.24Å; G13-Y131 WeakPolarHBondContact O-CA 3.25Å; L14-Y131 HydrophobicContact CD1-CD1 4.22Å; L14-Y131 HydrophobicContact CD1-CE1 3.66Å; R106-Y131 HydrophobicContact CG-CD1 4.18Å; R106-Y131 HydrophobicContact CG-CG 4.5Å; L109-Y131 HydrophobicContact CB-CD1 4.11Å; L109-Y131 HydrophobicContact CB-CE1 3.9Å; F110-Y131 WeakPolarHBondContact CA-OH 3.42Å; F110-Y131 HydrophobicContact CB-CE1 4.43Å; S113-Y131 WeakPolarHBondContact CB-OH 3.27Å; D129-Y131 HydrophobicContact CB-CE2 4.28Å; D129-Y131 WeakPolarHBondContact OD2-CE2 3.4Å; D129-Y131 VanDerWaalsContact OD2-CZ 3.31Å; D129-Y131 PolarHBondContact OD2-OH 3.48Å
132G97Very high92.4Very high2 Ų257.8 Ų57.82%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-86.1160.2169.900000111.7N12 G13 P219N12-G132 VanDerWaalsContact CA-O 3.3Å; N12-G132 WeakPolarHBondContact CA-O 3.43Å; G13-G132 PolarHBondContact N-O 3.46Å; G13-G132 PolarHBondContact O-N 2.99Å; G132-P219 CarbonylContact C-O 3.4Å; G132-P219 WeakPolarHBondContact CA-O 3.35Å
133F96.7Very high91.2Very high64 Ų6452.3 Ų52.328%0.28127%0.266SS..EExtended strand (participates in β ladder)trans-136.3152.817658.1-92.4000111.1K11 Y135 L141 P219K11-F133 CarbonylContact O-C 3.53Å; K11-F133 WeakPolarHBondContact O-CA 3.46Å; F133-Y135 HydrophobicContact CE2-CD2 4.05Å; F133-Y135 HydrophobicContact CE2-CG 4.28Å; F133-Y135 PolarHBondContact O-N 3.02Å; F133-L141 HydrophobicContact CZ-CD2 4.31Å; F133-P219 HydrophobicContact CD2-CG 4.24Å; F133-P219 HydrophobicContact CE2-CB 4.46Å; F133-P219 HydrophobicContact CE2-CG 4.07Å; F133-P219 HydrophobicContact CZ-CB 4.39Å; F133-P219 HydrophobicContact CZ-CG 4.45Å; F133-P219 PolarHBondContact N-O 3.24Å; F133-P219 WeakPolarHBondContact O-CD 3.3Å; F133-P219 WeakPolarHBondContact O-CG 3.45Å
134V94.7Very high90Very high64 Ų6454.4 Ų54.439%0.38828%0.276SS..  trans-73.6119.1167.41740000108.7R10 K11 M218R10-V134 WeakPolarHBondContact O-CG2 3.16Å; K11-V134 PolarHBondContact O-N 2.87Å; V134-M218 HydrophobicContact CG2-CE 4.01Å
135Y91.7Very high89.1Confident44 Ų4456.2 Ų56.217%0.17329%0.287CS..BIsolated β-bridgetrans-96.1123.3176.7179.9-122.5000110.5F133 D137 G138 R139 D140 L141F133-Y135 HydrophobicContact CE2-CD2 4.05Å; F133-Y135 HydrophobicContact CE2-CG 4.28Å; F133-Y135 PolarHBondContact O-N 3.02Å; Y135-D137 PolarHBondContact O-N 3.29Å; Y135-G138 PolarHBondContact O-N 3.3Å; Y135-G138 VanDerWaalsContact O-N 3.13Å; Y135-R139 WeakPolarHBondContact CB-O 3.09Å; Y135-R139 HydrophobicContact CD1-CB 4.17Å; Y135-R139 PolarHBondContact O-N 3.22Å; Y135-D140 WeakPolarHBondContact CD1-O 3.36Å; Y135-L141 HydrophobicContact CD1-CD2 4.13Å; Y135-L141 HydrophobicContact CE1-CD2 4.33Å; Y135-L141 HydrophobicContact CG-CD2 4.23Å
136K89.4Confident87.9Confident135 Ų13551.8 Ų51.859%0.58727%0.268SS*.THydrogen-bonded Turntrans51.8-124.6-178-59.5179.3174.2177.70111.4G138K136-G138 VanDerWaalsContact C-N 3.29Å; K136-G138 PolarHBondContact O-N 2.75Å
137D86.5Confident86.9Confident97 Ų9749 Ų4952%0.51925%0.254SS..THydrogen-bonded Turntrans-89.632.5-179.254.3-43.4000112.8Y135 R139Y135-D137 PolarHBondContact O-N 3.29Å; D137-R139 VanDerWaalsContact CG-NE 3.33Å; D137-R139 VanDerWaalsContact OD1-CD 3.27Å; D137-R139 WeakPolarHBondContact OD1-CD 3.14Å; D137-R139 IonicContact OD1-CZ 2.8Å; D137-R139 IonicContact OD1-NE 3.85Å; D137-R139 PolarHBondContact OD1-NE 3.39Å; D137-R139 IonicContact OD1-NH2 2.97Å; D137-R139 IonicContact OD2-CZ 3.2Å; D137-R139 IonicContact OD2-NE 2.66Å; D137-R139 PolarHBondContact OD2-NE 2.87Å; D137-R139 VanDerWaalsContact OD2-NE 3.16Å; D137-R139 IonicContact OD2-NH2 3.84Å; D137-R139 PolarHBondContact OD2-NH2 3.13Å
138G84.8Confident85.9Confident29 Ų2949 Ų4930%0.29926%0.262SS..THydrogen-bonded Turntrans89.932-179.400000113.7Y135 K136 D146Y135-G138 PolarHBondContact O-N 3.3Å; Y135-G138 VanDerWaalsContact O-N 3.13Å; K136-G138 VanDerWaalsContact C-N 3.29Å; K136-G138 PolarHBondContact O-N 2.75Å; G138-D146 PolarHBondContact O-N 2.64Å; G138-D146 VanDerWaalsContact O-N 3.1Å
139R84.1Confident85.3Confident80 Ų8051.4 Ų51.430%0.30227%0.271SS..BIsolated β-bridgetrans-91.7154.5-178.7-64.8177.8-173.2-86-13.8112.4Y135 D137 G143 F144 V145Y135-R139 WeakPolarHBondContact CB-O 3.09Å; Y135-R139 HydrophobicContact CD1-CB 4.17Å; Y135-R139 PolarHBondContact O-N 3.22Å; D137-R139 VanDerWaalsContact CG-NE 3.33Å; D137-R139 VanDerWaalsContact OD1-CD 3.27Å; D137-R139 WeakPolarHBondContact OD1-CD 3.14Å; D137-R139 IonicContact OD1-CZ 2.8Å; D137-R139 IonicContact OD1-NE 3.85Å; D137-R139 PolarHBondContact OD1-NE 3.39Å; D137-R139 IonicContact OD1-NH2 2.97Å; D137-R139 IonicContact OD2-CZ 3.2Å; D137-R139 IonicContact OD2-NE 2.66Å; D137-R139 PolarHBondContact OD2-NE 2.87Å; D137-R139 VanDerWaalsContact OD2-NE 3.16Å; D137-R139 IonicContact OD2-NH2 3.84Å; D137-R139 PolarHBondContact OD2-NH2 3.13Å; R139-G143 WeakPolarHBondContact CD-O 3.47Å; R139-G143 PolarHBondContact NH1-O 3.29Å; R139-F144 CarbonylContact C-O 3.58Å; R139-F144 WeakPolarHBondContact CA-O 3.27Å; R139-F144 WeakPolarHBondContact CB-O 3.35Å; R139-V145 HydrophobicContact CG-CG2 4.08Å
140D82.6Confident85Confident20 Ų2051 Ų5111%0.10727%0.268CS..  trans-76.9174.7158.667.331.1000111.3Y135 S142 G143 F144 L229Y135-D140 WeakPolarHBondContact CD1-O 3.36Å; D140-S142 PolarHBondContact O-N 2.85Å; D140-S142 VanDerWaalsContact OD1-C 3.31Å; D140-S142 VanDerWaalsContact OD1-CA 3.25Å; D140-S142 WeakPolarHBondContact OD1-CA 3.3Å; D140-S142 WeakPolarHBondContact OD1-CB 3.19Å; D140-S142 PolarHBondContact OD1-N 3.21Å; D140-S142 PolarHBondContact OD1-OG 2.96Å; D140-S142 PolarHBondContact OD2-OG 2.83Å; D140-G143 PolarHBondContact O-N 2.73Å; D140-G143 VanDerWaalsContact O-N 3.09Å; D140-G143 PolarHBondContact OD1-N 2.96Å; D140-F144 PolarHBondContact N-O 3.05Å; D140-F144 PolarHBondContact OD1-N 2.65Å; D140-F144 VanDerWaalsContact OD1-N 3.13Å; D140-L229 HydrophobicContact CB-CD1 4.02Å
141L83.3Confident84.7Confident31 Ų3150.3 Ų50.316%0.16227%0.266CS..THydrogen-bonded Turntrans-71.8-10.1178.8-62.2-176.2000114.1F133 Y135 G143 W190 L194 P219 A227F133-L141 HydrophobicContact CZ-CD2 4.31Å; Y135-L141 HydrophobicContact CD1-CD2 4.13Å; Y135-L141 HydrophobicContact CE1-CD2 4.33Å; Y135-L141 HydrophobicContact CG-CD2 4.23Å; L141-G143 VanDerWaalsContact C-N 3.33Å; L141-W190 HydrophobicContact CB-CE3 4.32Å; L141-W190 HydrophobicContact CB-CZ3 4.38Å; L141-L194 WeakPolarHBondContact O-CD2 3.48Å; L141-P219 HydrophobicContact CD1-CB 4.22Å; L141-P219 HydrophobicContact CD2-CB 3.74Å; L141-P219 HydrophobicContact CD2-CG 4.47Å; L141-P219 HydrophobicContact CG-CB 3.54Å; L141-A227 HydrophobicContact CD1-CB 3.56Å
142S72.8Confident84.5Confident9 Ų951.3 Ų51.36%0.06328%0.277CS..THydrogen-bonded Turntrans-87.2-8.2170.772.30000112.8D140 F144 L194D140-S142 PolarHBondContact O-N 2.85Å; D140-S142 VanDerWaalsContact OD1-C 3.31Å; D140-S142 VanDerWaalsContact OD1-CA 3.25Å; D140-S142 WeakPolarHBondContact OD1-CA 3.3Å; D140-S142 WeakPolarHBondContact OD1-CB 3.19Å; D140-S142 PolarHBondContact OD1-N 3.21Å; D140-S142 PolarHBondContact OD1-OG 2.96Å; D140-S142 PolarHBondContact OD2-OG 2.83Å; S142-F144 WeakPolarHBondContact OG-CD2 3.28Å; S142-L194 WeakPolarHBondContact O-CD2 3.14Å
143G72.6Confident84.2Confident17 Ų1758 Ų5818%0.17531%0.307CS..SBendtrans98.15.3171.900000114.3R139 D140 L141R139-G143 WeakPolarHBondContact CD-O 3.47Å; R139-G143 PolarHBondContact NH1-O 3.29Å; D140-G143 PolarHBondContact O-N 2.73Å; D140-G143 VanDerWaalsContact O-N 3.09Å; D140-G143 PolarHBondContact OD1-N 2.96Å; L141-G143 VanDerWaalsContact C-N 3.33Å
144F72.1Confident84.1Confident71 Ų7163.1 Ų63.131%0.31133%0.332SS..  trans-84.5145.4173.5-72.1-88.7000111.7R139 D140 S142 D146 A198 S201R139-F144 CarbonylContact C-O 3.58Å; R139-F144 WeakPolarHBondContact CA-O 3.27Å; R139-F144 WeakPolarHBondContact CB-O 3.35Å; D140-F144 PolarHBondContact N-O 3.05Å; D140-F144 PolarHBondContact OD1-N 2.65Å; D140-F144 VanDerWaalsContact OD1-N 3.13Å; S142-F144 WeakPolarHBondContact OG-CD2 3.28Å; F144-D146 PolarHBondContact O-N 2.99Å; F144-D146 VanDerWaalsContact O-N 3.17Å; F144-A198 HydrophobicContact CD2-CB 4.32Å; F144-A198 HydrophobicContact CE1-CB 4.11Å; F144-A198 HydrophobicContact CE2-CB 3.36Å; F144-A198 HydrophobicContact CZ-CB 3.27Å; F144-A198 WeakPolarHBondContact CZ-O 3.04Å; F144-S201 WeakPolarHBondContact CE2-OG 3.19Å; F144-S201 WeakPolarHBondContact CZ-OG 3.34Å
145V79.4Confident84Confident54 Ų5464.3 Ų64.333%0.32734%0.337SS..BIsolated β-bridgetrans-69.7109.6167-178.80000107.8R139 T148R139-V145 HydrophobicContact CG-CG2 4.08Å; V145-T148 WeakPolarHBondContact CG1-OG1 3.43Å; V145-T148 PolarHBondContact O-OG1 2.87Å
146D73.3Confident84.2Confident31 Ų3163.6 Ų63.617%0.16633%0.334CS..THydrogen-bonded Turntrans-78.8142176.2-16514.8000109.8G138 F144 R215 S217G138-D146 PolarHBondContact O-N 2.64Å; G138-D146 VanDerWaalsContact O-N 3.1Å; F144-D146 PolarHBondContact O-N 2.99Å; F144-D146 VanDerWaalsContact O-N 3.17Å; D146-R215 IonicContact OD1-CZ 3.77Å; D146-R215 IonicContact OD1-NE 2.74Å; D146-R215 IonicContact OD1-NH1 3.88Å; D146-R215 PolarHBondContact OD1-NH1 2.78Å; D146-R215 IonicContact OD1-NH2 2.67Å; D146-R215 PolarHBondContact OD1-NH2 2.79Å; D146-S217 WeakPolarHBondContact OD2-CB 3.35Å; D146-S217 PolarHBondContact OD2-OG 2.84Å
147G77.2Confident84.4Confident17 Ų1759.9 Ų59.918%0.17533%0.325CS..THydrogen-bonded Turntrans83.27.1-178.300000116E149 N150G147-E149 PolarHBondContact O-N 2.9Å; G147-E149 VanDerWaalsContact O-N 3.15Å; G147-N150 WeakPolarHBondContact CA-ND2 3.44Å; G147-N150 VanDerWaalsContact O-CB 3.24Å; G147-N150 WeakPolarHBondContact O-CB 3.39Å; G147-N150 PolarHBondContact O-N 3.26Å
148T77.8Confident84.8Confident96 Ų9658.6 Ų58.659%0.58933%0.327SS*.THydrogen-bonded Turntrans-52.4-36.9174.9-560000112.7V145V145-T148 WeakPolarHBondContact CG1-OG1 3.43Å; V145-T148 PolarHBondContact O-OG1 2.87Å
149E83.9Confident85.3Confident119 Ų11958.5 Ų58.556%0.55632%0.32SS*.THydrogen-bonded Turntrans-95.614.4-179.1-66.4-71.2117.900113.7G147 K209G147-E149 PolarHBondContact O-N 2.9Å; G147-E149 VanDerWaalsContact O-N 3.15Å; E149-K209 IonicContact OE2-NZ 3.04Å; E149-K209 PolarHBondContact OE2-NZ 3.08Å
150N90.4Very high85.9Confident41 Ų4154.7 Ų54.722%0.21931%0.305CS..PPolyproline II helixtrans-65.9148176.4-82.5-19.5000111.1G147 Y214 R215G147-N150 WeakPolarHBondContact CA-ND2 3.44Å; G147-N150 VanDerWaalsContact O-CB 3.24Å; G147-N150 WeakPolarHBondContact O-CB 3.39Å; G147-N150 PolarHBondContact O-N 3.26Å; N150-Y214 HydrophobicContact CB-CD2 3.84Å; N150-Y214 HydrophobicContact CB-CE2 4.06Å; N150-R215 PolarHBondContact ND2-O 3Å; N150-R215 PolarHBondContact OD1-N 2.94Å
151P91.4Very high86.6Confident9 Ų955.3 Ų55.36%0.05831%0.309CS..PPolyproline II helixtrans-58.5151.4173.225.3-34.8000111.5D155 R156 I159 I213 Y214P151-D155 HydrophobicContact CB-CB 4.09Å; P151-R156 HydrophobicContact CG-CG 4.04Å; P151-I159 HydrophobicContact CB-CG1 4.06Å; P151-I159 HydrophobicContact CG-CB 4.35Å; P151-I159 HydrophobicContact CG-CG1 4.33Å; P151-I159 HydrophobicContact CG-CG2 4.33Å; P151-I213 WeakPolarHBondContact CD-O 3.24Å; P151-Y214 HydrophobicContact CG-CD2 4.26Å; P151-Y214 HydrophobicContact CG-CG 4.47Å
152S92.1Very high87.3Confident48 Ų4855.7 Ų55.734%0.33631%0.31SS..PPolyproline II helixtrans-59.9156.6171.582.80000110.4Q154 D155 R156S152-Q154 PolarHBondContact O-N 3.14Å; S152-Q154 VanDerWaalsContact O-N 3.14Å; S152-Q154 PolarHBondContact OG-N 2.78Å; S152-D155 PolarHBondContact O-N 3.32Å; S152-D155 PolarHBondContact OG-N 3.03Å; S152-D155 PolarHBondContact OG-OD2 2.82Å; S152-R156 WeakPolarHBondContact O-CG 3.49Å; S152-R156 PolarHBondContact O-N 2.9Å
153E91.8Very high88.3Confident141 Ų14164.7 Ų64.766%0.65935%0.35SS*.THydrogen-bonded Turntrans-52.7-37.6178.1-171.3-177.3168.900112.6D155E153-D155 VanDerWaalsContact C-N 3.33Å; E153-D155 PolarHBondContact O-N 3.44Å
154Q93.3Very high89.3Confident173 Ų17373.1 Ų73.181%0.80838%0.382SS*.THydrogen-bonded Turntrans-70.1-28.7179.6-65127.312.600112.9S152S152-Q154 PolarHBondContact O-N 3.14Å; S152-Q154 VanDerWaalsContact O-N 3.14Å; S152-Q154 PolarHBondContact OG-N 2.78Å
155D94.3Very high90.4Very high89 Ų8971.6 Ų71.648%0.47638%0.379SS..THydrogen-bonded Turntrans-91.7-19.6-178-59-45.1000112.9P151 S152 E153 S157 A158 I159P151-D155 HydrophobicContact CB-CB 4.09Å; S152-D155 PolarHBondContact O-N 3.32Å; S152-D155 PolarHBondContact OG-N 3.03Å; S152-D155 PolarHBondContact OG-OD2 2.82Å; E153-D155 VanDerWaalsContact C-N 3.33Å; E153-D155 PolarHBondContact O-N 3.44Å; D155-S157 VanDerWaalsContact C-N 3.29Å; D155-S157 PolarHBondContact O-N 2.88Å; D155-A158 PolarHBondContact O-N 2.88Å; D155-A158 VanDerWaalsContact O-N 3.08Å; D155-I159 PolarHBondContact O-N 3.27Å
156R94.3Very high91.1Very high29 Ų2970.1 Ų70.111%0.10937%0.374CS..Hα-helixtrans-50.9-45.5-173.8-79.4174-165.2175.33.3112.7L6 D8 P151 S152 A158 I159 C160 Y214L6-R156 HydrophobicContact CD2-CB 4Å; L6-R156 PolarHBondContact O-NH1 3.01Å; D8-R156 IonicContact OD1-CZ 3.58Å; D8-R156 VanDerWaalsContact OD1-CZ 3.24Å; D8-R156 IonicContact OD1-NH1 3.55Å; D8-R156 PolarHBondContact OD1-NH1 3.39Å; D8-R156 IonicContact OD1-NH2 2.76Å; D8-R156 PolarHBondContact OD1-NH2 3.48Å; P151-R156 HydrophobicContact CG-CG 4.04Å; S152-R156 WeakPolarHBondContact O-CG 3.49Å; S152-R156 PolarHBondContact O-N 2.9Å; R156-A158 PolarHBondContact O-N 3.32Å; R156-I159 PolarHBondContact O-N 3.27Å; R156-C160 VanDerWaalsContact O-CB 3.25Å; R156-C160 WeakPolarHBondContact O-CB 3.19Å; R156-C160 PolarHBondContact O-N 3.18Å; R156-C160 PolarHBondContact O-SG 3.42Å; R156-Y214 HydrophobicContact CG-CD2 4.48Å; R156-Y214 HydrophobicContact CG-CG 4.49Å; R156-Y214 PolarHBondContact NH1-OH 3.17Å
157S95.2Very high92.3Very high57 Ų5768.6 Ų68.640%0.39937%0.366SS..Hα-helixtrans-60.8-43.6-178.3-60.50000112.3D155 I159 C160 L161D155-S157 VanDerWaalsContact C-N 3.29Å; D155-S157 PolarHBondContact O-N 2.88Å; S157-I159 VanDerWaalsContact C-N 3.32Å; S157-I159 PolarHBondContact O-N 3.37Å; S157-C160 PolarHBondContact O-N 3.46Å; S157-L161 WeakPolarHBondContact O-CB 3.45Å; S157-L161 PolarHBondContact O-N 2.69Å
158A94.9Very high93.3Very high70 Ų7067.8 Ų67.858%0.57936%0.358SS*.Hα-helixtrans-67.5-33.6179.500000112.3D155 R156 N236D155-A158 PolarHBondContact O-N 2.88Å; D155-A158 VanDerWaalsContact O-N 3.08Å; R156-A158 PolarHBondContact O-N 3.32Å; A158-N236 PolarHBondContact O-ND2 3.48Å
159I95.2Very high94.3Very high26 Ų2664.3 Ų64.313%0.13333%0.334CS..Hα-helixtrans-77.1-39.8177.8-61.7-47.9000112P151 D155 R156 S157 Q212 A235 N236P151-I159 HydrophobicContact CB-CG1 4.06Å; P151-I159 HydrophobicContact CG-CB 4.35Å; P151-I159 HydrophobicContact CG-CG1 4.33Å; P151-I159 HydrophobicContact CG-CG2 4.33Å; D155-I159 PolarHBondContact O-N 3.27Å; R156-I159 PolarHBondContact O-N 3.27Å; S157-I159 VanDerWaalsContact C-N 3.32Å; S157-I159 PolarHBondContact O-N 3.37Å; I159-Q212 HydrophobicContact CD1-CB 3.98Å; I159-Q212 HydrophobicContact CG1-CB 4.32Å; I159-Q212 HydrophobicContact CG2-CB 3.92Å; I159-A235 CarbonylContact O-C 3.6Å; I159-A235 WeakPolarHBondContact O-CA 3.42Å; I159-N236 WeakPolarHBondContact O-CB 3.1Å; I159-N236 PolarHBondContact O-N 3.41Å
160C97Very high95Very high0 Ų058.6 Ų58.60%031%0.307CS..Hα-helixtrans-95.7-30.5-167.2-580000114.1V5 L6 R156 S157 S168 Y214 F234 A235 N236V5-C160 HydrophobicContact CG1-CB 3.99Å; L6-C160 HydrophobicContact CD2-CB 3.77Å; R156-C160 VanDerWaalsContact O-CB 3.25Å; R156-C160 WeakPolarHBondContact O-CB 3.19Å; R156-C160 PolarHBondContact O-N 3.18Å; R156-C160 PolarHBondContact O-SG 3.42Å; S157-C160 PolarHBondContact O-N 3.46Å; C160-S168 VanDerWaalsContact O-CB 3.28Å; C160-S168 WeakPolarHBondContact O-CB 3.5Å; C160-S168 PolarHBondContact O-OG 3.17Å; C160-Y214 WeakPolarHBondContact SG-CB 3.49Å; C160-F234 HydrophobicContact CB-CB 4.24Å; C160-A235 CarbonylContact O-C 3.49Å; C160-N236 PolarHBondContact O-N 3.23Å
161L97.3Very high95.3Very high34 Ų3456.7 Ų56.718%0.17830%0.297CS..SBendtrans-100.9134.4-169.6-52.7-173.1000112.1L2 V5 L6 S157 E163 G167 N236L2-L161 HydrophobicContact CD2-CD2 3.93Å; V5-L161 HydrophobicContact CG1-CD2 4.1Å; L6-L161 HydrophobicContact CD1-CD1 4.13Å; L6-L161 HydrophobicContact CD2-CD2 4.27Å; L6-L161 HydrophobicContact CD2-CG 4.41Å; S157-L161 WeakPolarHBondContact O-CB 3.45Å; S157-L161 PolarHBondContact O-N 2.69Å; L161-E163 PolarHBondContact O-N 3.38Å; L161-G167 CarbonylContact C-O 3.51Å; L161-G167 WeakPolarHBondContact CA-O 3.2Å; L161-N236 WeakPolarHBondContact O-CB 3.05Å
162E96.3Very high95.6Very high39 Ų3956.3 Ų56.318%0.18230%0.295CS..  trans-67120.8169.1179.2177-122.300109.4K76 K164 T165 G166 G167 Y169 Y273K76-E162 IonicContact NZ-OE1 3.37Å; K76-E162 IonicContact NZ-OE2 2.77Å; K76-E162 PolarHBondContact NZ-OE2 2.76Å; E162-K164 PolarHBondContact O-N 3.01Å; E162-K164 VanDerWaalsContact O-N 3.09Å; E162-T165 WeakPolarHBondContact CB-OG1 3.29Å; E162-T165 PolarHBondContact O-N 2.64Å; E162-T165 WeakPolarHBondContact OE2-CB 3.49Å; E162-T165 VanDerWaalsContact OE2-CG2 3.24Å; E162-T165 WeakPolarHBondContact OE2-CG2 3.5Å; E162-T165 PolarHBondContact OE2-OG1 3.49Å; E162-G166 WeakPolarHBondContact O-CA 3.27Å; E162-G166 PolarHBondContact O-N 3.14Å; E162-G167 PolarHBondContact N-O 3.16Å; E162-Y169 PolarHBondContact OE1-OH 2.69Å; E162-Y273 PolarHBondContact OE2-OH 2.8Å
163E94.1Very high95.8Very high197 Ų19754 Ų5492%0.92128%0.279SS*.THydrogen-bonded Turntrans-54.2-35.6-172.2-174.1-177.6177.700113.5L161L161-E163 PolarHBondContact O-N 3.38Å
164K93.8Very high95.9Very high195 Ų19547.4 Ų47.485%0.84825%0.248SC*.THydrogen-bonded Turntrans-78.7-31.4-174.3-68.7-175.4179.1-179.80114.1E162E162-K164 PolarHBondContact O-N 3.01Å; E162-K164 VanDerWaalsContact O-N 3.09Å
165T94.9Very high95.8Very high39 Ų3940.1 Ų40.124%0.23921%0.214CC..THydrogen-bonded Turntrans-120-21.7-164.957.40000112.8E162 G167 Y273 S276 E279E162-T165 WeakPolarHBondContact CB-OG1 3.29Å; E162-T165 PolarHBondContact O-N 2.64Å; E162-T165 WeakPolarHBondContact OE2-CB 3.49Å; E162-T165 VanDerWaalsContact OE2-CG2 3.24Å; E162-T165 WeakPolarHBondContact OE2-CG2 3.5Å; E162-T165 PolarHBondContact OE2-OG1 3.49Å; T165-G167 PolarHBondContact O-N 3.34Å; T165-G167 PolarHBondContact OG1-N 3.03Å; T165-Y273 WeakPolarHBondContact CB-OH 3.37Å; T165-Y273 PolarHBondContact OG1-OH 3.04Å; T165-S276 VanDerWaalsContact O-CB 3.3Å; T165-S276 WeakPolarHBondContact O-CB 3.49Å; T165-S276 PolarHBondContact O-OG 3.47Å; T165-E279 WeakPolarHBondContact CB-OE1 3.41Å
166G95.7Very high95.6Very high22 Ų2238.4 Ų38.423%0.22720%0.202CC..SBendtrans72.2-1-169.700000113.9L2 E162L2-G166 VanDerWaalsContact CD1-O 3.27Å; L2-G166 WeakPolarHBondContact CD1-O 3.1Å; E162-G166 WeakPolarHBondContact O-CA 3.27Å; E162-G166 PolarHBondContact O-N 3.14Å
167G97.1Very high94.9Very high0 Ų037.8 Ų37.80%020%0.203CC..  trans-74.8177.5174.700000112.2L161 E162 T165 F274L161-G167 CarbonylContact C-O 3.51Å; L161-G167 WeakPolarHBondContact CA-O 3.2Å; E162-G167 PolarHBondContact N-O 3.16Å; T165-G167 PolarHBondContact O-N 3.34Å; T165-G167 PolarHBondContact OG1-N 3.03Å; G167-F274 CarbonylContact C-O 3.54Å; G167-F274 WeakPolarHBondContact CA-O 3.39Å
168S98.3Very high93.8Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-139.2142.7-178.8-169.50000111.6C160 F274C160-S168 VanDerWaalsContact O-CB 3.28Å; C160-S168 WeakPolarHBondContact O-CB 3.5Å; C160-S168 PolarHBondContact O-OG 3.17Å; S168-F274 PolarHBondContact N-O 3.13Å; S168-F274 PolarHBondContact O-N 2.94Å
169Y98.4Very high91.8Very high22 Ų2236.4 Ų36.49%0.08618%0.18CC..EExtended strand (participates in β ladder)trans-86.2141.4167.1-61.8-89.8000109F78 E162 F234 A235 N236 T238 F241 W272 Y273F78-Y169 HydrophobicContact CB-CD1 3.97Å; F78-Y169 HydrophobicContact CB-CE1 3.75Å; F78-Y169 HydrophobicContact CD1-CE1 4.12Å; F78-Y169 HydrophobicContact CG-CD1 4.23Å; F78-Y169 HydrophobicContact CG-CE1 4.02Å; E162-Y169 PolarHBondContact OE1-OH 2.69Å; Y169-F234 WeakPolarHBondContact O-CA 3.46Å; Y169-A235 WeakPolarHBondContact CB-O 3.19Å; Y169-A235 PolarHBondContact N-O 2.81Å; Y169-A235 PolarHBondContact O-N 2.91Å; Y169-N236 WeakPolarHBondContact CD2-O 3.22Å; Y169-N236 WeakPolarHBondContact CE2-O 3.39Å; Y169-T238 HydrophobicContact CD1-CG2 3.69Å; Y169-T238 HydrophobicContact CE1-CG2 4.35Å; Y169-T238 HydrophobicContact CG-CG2 4.08Å; Y169-F241 WeakPolarHBondContact O-CZ 3.45Å; Y169-W272 WeakPolarHBondContact CA-O 3.41Å; Y169-Y273 AromaticContact CD1-CD2 3.96Å; Y169-Y273 HydrophobicContact CD1-CD2 3.96Å; Y169-Y273 AromaticContact CE1-CD2 3.74Å; Y169-Y273 HydrophobicContact CE1-CD2 3.74Å; Y169-Y273 HydrophobicContact CE1-CE2 4.33Å; Y169-Y273 HydrophobicContact CE2-CD2 4.36Å; Y169-Y273 HydrophobicContact CE2-CE2 4.24Å; Y169-Y273 HydrophobicContact CG-CD2 4.36Å; Y169-Y273 AromaticContact CZ-CD2 3.96Å
170C98.4Very high89.6Confident0 Ų043.9 Ų43.90%021%0.213CC..EExtended strand (participates in β ladder)trans-129.2138.5179.7172.20000109.9A233 F234 Y271 W272 F274C170-A233 CarbonylContact C-O 3.47Å; C170-A233 VanDerWaalsContact CA-O 3.25Å; C170-A233 WeakPolarHBondContact CA-O 3.27Å; C170-F234 HydrophobicContact CB-CD1 3.79Å; C170-F234 HydrophobicContact CB-CE1 3.75Å; C170-Y271 CarbonylContact O-C 3.54Å; C170-Y271 WeakPolarHBondContact O-CA 3.44Å; C170-W272 HydrophobicContact CB-CB 4.2Å; C170-W272 PolarHBondContact N-O 3.39Å; C170-W272 PolarHBondContact O-N 3.08Å; C170-F274 HydrophobicContact CB-CD2 3.53Å; C170-F274 HydrophobicContact CB-CE2 3.37Å; C170-F274 HydrophobicContact CB-CZ 4.42Å
171V98.1Very high87Confident1 Ų153.1 Ų53.11%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-106.2131.1162.754.20000108.2F231 I232 A233 F241 Y271V171-F231 HydrophobicContact CG1-CD1 4.34Å; V171-F231 HydrophobicContact CG1-CE1 3.55Å; V171-F231 HydrophobicContact CG1-CZ 4.37Å; V171-F231 HydrophobicContact CG2-CE1 4.27Å; V171-I232 VanDerWaalsContact O-CA 3.29Å; V171-I232 WeakPolarHBondContact O-CA 3.35Å; V171-A233 HydrophobicContact CG1-CB 3.92Å; V171-A233 PolarHBondContact N-O 2.78Å; V171-A233 PolarHBondContact O-N 3.36Å; V171-A233 VanDerWaalsContact O-N 3.07Å; V171-F241 HydrophobicContact CB-CD1 4.3Å; V171-F241 HydrophobicContact CB-CD2 4.02Å; V171-F241 HydrophobicContact CB-CE2 4.27Å; V171-F241 HydrophobicContact CB-CG 4.04Å; V171-F241 HydrophobicContact CG1-CB 4.38Å; V171-F241 HydrophobicContact CG1-CD1 3.48Å; V171-F241 VanDerWaalsContact CG1-CD1 3.48Å; V171-F241 HydrophobicContact CG1-CD2 4.07Å; V171-F241 HydrophobicContact CG1-CE1 3.64Å; V171-F241 HydrophobicContact CG1-CE2 4.21Å; V171-F241 HydrophobicContact CG1-CG 3.72Å; V171-F241 HydrophobicContact CG1-CZ 4Å; V171-Y271 HydrophobicContact CB-CD1 3.78Å; V171-Y271 HydrophobicContact CB-CE1 3.82Å; V171-Y271 HydrophobicContact CG2-CD1 3.87Å; V171-Y271 HydrophobicContact CG2-CE1 3.74Å
172S97.8Very high84.2Confident0 Ų054.4 Ų54.40%027%0.268CS..EExtended strand (participates in β ladder)trans-119.313717078.20000109.2W17 F231 S269 N270 W272W17-S172 PolarHBondContact NE1-OG 2.99Å; S172-F231 CarbonylContact C-O 3.54Å; S172-F231 WeakPolarHBondContact CA-O 3.47Å; S172-S269 VanDerWaalsContact O-CA 3.27Å; S172-S269 WeakPolarHBondContact O-CA 3.44Å; S172-S269 PolarHBondContact O-OG 2.96Å; S172-N270 PolarHBondContact N-O 3.17Å; S172-N270 VanDerWaalsContact N-O 3.08Å; S172-N270 PolarHBondContact O-N 3.43Å; S172-N270 VanDerWaalsContact O-N 3.12Å; S172-W272 PolarHBondContact OG-NE1 3.48Å
173S95.8Very high81.6Confident1 Ų160.1 Ų60.11%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-148.3143.4168.154.10000112.9H175 L230 F231 Q268S173-H175 WeakPolarHBondContact CB-NE2 3.24Å; S173-H175 PolarHBondContact OG-CD2 3.16Å; S173-H175 PolarHBondContact OG-NE2 3.45Å; S173-L230 CarbonylContact O-C 3.46Å; S173-F231 PolarHBondContact N-O 3.02Å; S173-F231 PolarHBondContact O-N 2.78Å; S173-F231 WeakPolarHBondContact OG-CB 3.35Å; S173-F231 WeakPolarHBondContact OG-CD1 3.48Å; S173-Q268 CarbonylContact C-O 3.51Å; S173-Q268 WeakPolarHBondContact CA-O 3.38Å; S173-Q268 WeakPolarHBondContact CB-O 3.39Å
174S94Very high79.2Confident1 Ų156.6 Ų56.61%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-104.6120.4174.5-178.70000109.7V267 Q268S174-V267 PolarHBondContact O-N 2.8Å; S174-Q268 PolarHBondContact N-O 3.39Å
175H91.4Very high76.8Confident21 Ų2154.5 Ų54.510%0.09728%0.278CS..EExtended strand (participates in β ladder)trans-112.8117.3-177.3-68.3-100.5000109.4S173 G228 L229 K265S173-H175 WeakPolarHBondContact CB-NE2 3.24Å; S173-H175 PolarHBondContact OG-CD2 3.16Å; S173-H175 PolarHBondContact OG-NE2 3.45Å; H175-G228 CarbonylContact O-C 3.58Å; H175-G228 WeakPolarHBondContact O-CA 3.25Å; H175-L229 HydrophobicContact CB-CB 4.46Å; H175-L229 PolarHBondContact N-O 3.45Å; H175-L229 PolarHBondContact O-N 2.97Å; H175-K265 WeakPolarHBondContact CA-O 3.43Å
176K89.6Confident74.2Confident53 Ų5353.4 Ų53.423%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-93.8138174.3-62.9-172.5-174.2-173.90109.8K178 F220 E226 T264 K265 V267K176-K178 PolarHBondContact O-N 3.15Å; K176-F220 HydrophobicContact CG-CZ 4.16Å; K176-E226 HydrophobicContact CD-CB 4.48Å; K176-E226 VanDerWaalsContact CD-OE2 3.27Å; K176-E226 WeakPolarHBondContact CD-OE2 3.29Å; K176-E226 VanDerWaalsContact CE-CD 3.46Å; K176-E226 WeakPolarHBondContact CE-OE1 2.97Å; K176-E226 VanDerWaalsContact CE-OE2 3.27Å; K176-E226 WeakPolarHBondContact CE-OE2 3.49Å; K176-E226 IonicContact NZ-OE1 2.98Å; K176-E226 PolarHBondContact NZ-OE1 3.08Å; K176-E226 IonicContact NZ-OE2 3.16Å; K176-E226 PolarHBondContact NZ-OE2 2.88Å; K176-T264 CarbonylContact O-C 3.57Å; K176-T264 WeakPolarHBondContact O-CA 3.36Å; K176-K265 PolarHBondContact N-O 3.46Å; K176-K265 PolarHBondContact O-N 2.99Å; K176-V267 HydrophobicContact CB-CG2 4.19Å; K176-V267 HydrophobicContact CD-CG2 3.64Å; K176-V267 HydrophobicContact CG-CG2 3.67Å
177A80.5Confident71.6Confident16 Ų1653.3 Ų53.313%0.13227%0.266CS..EExtended strand (participates in β ladder)trans-58.2131.3171.700000110.8L179 W190 A227A177-L179 HydrophobicContact CB-CD1 3.84Å; A177-L179 HydrophobicContact CB-CD2 4.35Å; A177-L179 HydrophobicContact CB-CG 3.93Å; A177-L179 PolarHBondContact O-N 2.85Å; A177-W190 HydrophobicContact CB-CD2 4.1Å; A177-W190 VanDerWaalsContact CB-CE2 3.47Å; A177-W190 HydrophobicContact CB-CH2 4.1Å; A177-W190 HydrophobicContact CB-CZ2 3.47Å; A177-W190 VanDerWaalsContact CB-CZ2 3.47Å; A177-A227 WeakPolarHBondContact CB-O 3.31Å; A177-A227 PolarHBondContact N-O 2.76Å
178K70.6Confident68.9Low38 Ų3859 Ų5917%0.16529%0.292CS..  trans-79.2108171.8-68.8177.6-171.6164.30108.4I87 K176 I261 H262 F263 T264 K265I87-K178 HydrophobicContact CD1-CD 4.22Å; I87-K178 HydrophobicContact CG1-CD 4.1Å; I87-K178 WeakPolarHBondContact O-CE 3.44Å; I87-K178 PolarHBondContact O-NZ 3Å; K176-K178 PolarHBondContact O-N 3.15Å; K178-I261 PolarHBondContact NZ-O 3.5Å; K178-H262 WeakPolarHBondContact CD-O 3.47Å; K178-F263 WeakPolarHBondContact CB-O 3.45Å; K178-F263 PolarHBondContact N-O 3.05Å; K178-T264 WeakPolarHBondContact CE-O 2.98Å; K178-T264 PolarHBondContact NZ-O 2.92Å; K178-K265 HydrophobicContact CD-CB 4.5Å; K178-K265 HydrophobicContact CG-CB 3.96Å
179L53.4Low66.3Low60 Ų6065 Ų6531%0.31432%0.319SS..  trans-116.7113.6-171.8-67.6157.9000109.4A177 H181 V186 W190A177-L179 HydrophobicContact CB-CD1 3.84Å; A177-L179 HydrophobicContact CB-CD2 4.35Å; A177-L179 HydrophobicContact CB-CG 3.93Å; A177-L179 PolarHBondContact O-N 2.85Å; L179-H181 PolarHBondContact O-N 2.8Å; L179-H181 VanDerWaalsContact O-N 3.12Å; L179-V186 HydrophobicContact CB-CG1 4.07Å; L179-V186 HydrophobicContact CB-CG2 4.03Å; L179-V186 HydrophobicContact CD1-CG1 3.26Å; L179-V186 HydrophobicContact CD2-CB 4.23Å; L179-V186 HydrophobicContact CD2-CG1 3.6Å; L179-V186 HydrophobicContact CD2-CG2 4.08Å; L179-V186 HydrophobicContact CG-CG1 3.77Å; L179-V186 HydrophobicContact CG-CG2 4.46Å; L179-W190 HydrophobicContact CD2-CG 4.22Å
180H50.4Low63.7Low182 Ų18265.9 Ų65.984%0.84332%0.322SS*.  trans-68.1103.7172.8-79.5-86.1000110.5S182H180-S182 PolarHBondContact O-N 3.12Å; H180-S182 VanDerWaalsContact O-N 3.09Å
181H40.5Very low61.4Low194 Ų19469.4 Ų69.490%0.89834%0.34SS*.SBendtrans4447.4144.3-81.646.8000119.2L179L179-H181 PolarHBondContact O-N 2.8Å; L179-H181 VanDerWaalsContact O-N 3.12Å
182S39.7Very low59Low61 Ų6175.6 Ų75.643%0.42737%0.368SS..  trans-167.2110.5146.3560000112.2H180 T184 V186H180-S182 PolarHBondContact O-N 3.12Å; H180-S182 VanDerWaalsContact O-N 3.09Å; S182-T184 VanDerWaalsContact C-N 3.27Å; S182-T184 PolarHBondContact O-N 2.82Å; S182-V186 WeakPolarHBondContact O-CG2 3.37Å
183Q41.4Very low56.9Low160 Ų16078.7 Ų78.775%0.74839%0.385SS*.THydrogen-bonded Turntrans-65.7-7.1-163.7-70.7178.3-18.700117.2
184T44Very low54.7Low123 Ų12380.2 Ų80.276%0.75539%0.393SS*.THydrogen-bonded Turntrans-111.4-19.6-178.147.50000115.5S182 V186S182-T184 VanDerWaalsContact C-N 3.27Å; S182-T184 PolarHBondContact O-N 2.82Å; T184-V186 VanDerWaalsContact C-N 3.26Å
185K42.1Very low52.5Low151 Ų15183.9 Ų83.966%0.65742%0.424SS*.SBendtrans-85.3-4172.6-75.1-172.7175.5-177.30112.8K189K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 2.8Å
186V42.1Very low50.8Low15 Ų1587.6 Ų87.69%0.09144%0.44CS..Hα-helixtrans-84.8-47-152.8136.60000112.7L179 S182 T184 K189 W190L179-V186 HydrophobicContact CB-CG1 4.07Å; L179-V186 HydrophobicContact CB-CG2 4.03Å; L179-V186 HydrophobicContact CD1-CG1 3.26Å; L179-V186 HydrophobicContact CD2-CB 4.23Å; L179-V186 HydrophobicContact CD2-CG1 3.6Å; L179-V186 HydrophobicContact CD2-CG2 4.08Å; L179-V186 HydrophobicContact CG-CG1 3.77Å; L179-V186 HydrophobicContact CG-CG2 4.46Å; S182-V186 WeakPolarHBondContact O-CG2 3.37Å; T184-V186 VanDerWaalsContact C-N 3.26Å; V186-K189 PolarHBondContact O-N 3.24Å; V186-W190 PolarHBondContact O-N 3.09Å
187T39.4Very low49.1Very low20 Ų2085.5 Ų85.512%0.12343%0.431CS..Hα-helixtrans-67.5-41170.114.40000110.8K189 W190 I191 V223T187-K189 PolarHBondContact O-N 3.37Å; T187-W190 PolarHBondContact O-N 2.79Å; T187-I191 WeakPolarHBondContact O-CB 3.5Å; T187-I191 VanDerWaalsContact O-CD1 3.29Å; T187-I191 WeakPolarHBondContact O-CD1 3.27Å; T187-I191 WeakPolarHBondContact O-CG1 3.27Å; T187-I191 PolarHBondContact O-N 3.17Å; T187-V223 HydrophobicContact CG2-CB 4.18Å; T187-V223 HydrophobicContact CG2-CG1 4.16Å; T187-V223 HydrophobicContact CG2-CG2 4.26Å; T187-V223 WeakPolarHBondContact OG1-CG1 3.38Å; T187-V223 PolarHBondContact OG1-O 3.49Å
188Q42Very low47.6Very low119 Ų11986.4 Ų86.456%0.55644%0.438SS*.Hα-helixtrans-57.2-48.6171.9-86.4-172.3-1600111I191 H192Q188-I191 CarbonylContact O-C 3.55Å; Q188-I191 PolarHBondContact O-N 3.1Å; Q188-H192 VanDerWaalsContact C-ND1 3.34Å; Q188-H192 VanDerWaalsContact O-CB 3.25Å; Q188-H192 WeakPolarHBondContact O-CB 3.16Å; Q188-H192 PolarHBondContact O-N 2.83Å; Q188-H192 PolarHBondContact O-ND1 2.87Å
189K42.5Very low46.7Very low128 Ų12888.1 Ų88.156%0.55746%0.455SS*.Hα-helixtrans-67.7-38.7-177.8-165.4174.4-179.5-175.50112.8K185 V186 T187 I191 H192 D193K185-K189 WeakPolarHBondContact O-CB 3.45Å; K185-K189 PolarHBondContact O-N 2.8Å; V186-K189 PolarHBondContact O-N 3.24Å; T187-K189 PolarHBondContact O-N 3.37Å; K189-I191 VanDerWaalsContact C-N 3.34Å; K189-H192 PolarHBondContact O-N 3.2Å; K189-D193 WeakPolarHBondContact CE-OD2 3.41Å; K189-D193 VanDerWaalsContact CG-OD2 3.25Å; K189-D193 WeakPolarHBondContact CG-OD2 3.24Å; K189-D193 VanDerWaalsContact O-CB 3.29Å; K189-D193 WeakPolarHBondContact O-CB 3.4Å; K189-D193 PolarHBondContact O-N 3.28Å
190W45Very low46.8Very low40 Ų4088.3 Ų88.315%0.15245%0.454CS..Hα-helixtrans-63.1-39.8170.6-106.766.6000112.4L141 A177 L179 V186 T187 H192 L194 I197 F263 T264L141-W190 HydrophobicContact CB-CE3 4.32Å; L141-W190 HydrophobicContact CB-CZ3 4.38Å; A177-W190 HydrophobicContact CB-CD2 4.1Å; A177-W190 VanDerWaalsContact CB-CE2 3.47Å; A177-W190 HydrophobicContact CB-CH2 4.1Å; A177-W190 HydrophobicContact CB-CZ2 3.47Å; A177-W190 VanDerWaalsContact CB-CZ2 3.47Å; L179-W190 HydrophobicContact CD2-CG 4.22Å; V186-W190 PolarHBondContact O-N 3.09Å; T187-W190 PolarHBondContact O-N 2.79Å; W190-H192 VanDerWaalsContact C-N 3.31Å; W190-H192 PolarHBondContact O-N 2.66Å; W190-L194 VanDerWaalsContact O-CD2 3.23Å; W190-L194 WeakPolarHBondContact O-CD2 3.33Å; W190-L194 WeakPolarHBondContact O-CG 3.32Å; W190-L194 PolarHBondContact O-N 2.75Å; W190-I197 HydrophobicContact CD2-CD1 3.82Å; W190-I197 HydrophobicContact CE3-CD1 3.94Å; W190-I197 HydrophobicContact CG-CD1 4.39Å; W190-I197 HydrophobicContact CH2-CD1 4.16Å; W190-I197 HydrophobicContact CZ2-CD1 4.04Å; W190-I197 HydrophobicContact CZ3-CD1 4.1Å; W190-F263 HydrophobicContact CZ2-CB 4.33Å; W190-T264 HydrophobicContact CH2-CG2 4.16Å
191I48.7Very low46.9Very low73 Ų7381.4 Ų81.437%0.37443%0.426SS..Hα-helixtrans-70.5-23.7174.3-65.7165.1000112.2T187 Q188 K189 L194T187-I191 WeakPolarHBondContact O-CB 3.5Å; T187-I191 VanDerWaalsContact O-CD1 3.29Å; T187-I191 WeakPolarHBondContact O-CD1 3.27Å; T187-I191 WeakPolarHBondContact O-CG1 3.27Å; T187-I191 PolarHBondContact O-N 3.17Å; Q188-I191 CarbonylContact O-C 3.55Å; Q188-I191 PolarHBondContact O-N 3.1Å; K189-I191 VanDerWaalsContact C-N 3.34Å; I191-L194 WeakPolarHBondContact O-CD1 3.38Å; I191-L194 WeakPolarHBondContact O-CG 3.25Å
192H48.6Very low47.1Very low131 Ų13174.7 Ų74.761%0.60641%0.41SS*.Hα-helixtrans-96.7-31.3-179.2-65.8133.1000113.2Q188 K189 W190 L194Q188-H192 VanDerWaalsContact C-ND1 3.34Å; Q188-H192 VanDerWaalsContact O-CB 3.25Å; Q188-H192 WeakPolarHBondContact O-CB 3.16Å; Q188-H192 PolarHBondContact O-N 2.83Å; Q188-H192 PolarHBondContact O-ND1 2.87Å; K189-H192 PolarHBondContact O-N 3.2Å; W190-H192 VanDerWaalsContact C-N 3.31Å; W190-H192 PolarHBondContact O-N 2.66Å; H192-L194 VanDerWaalsContact C-N 3.27Å; H192-L194 PolarHBondContact O-N 2.92Å
193D53.5Low47.4Very low65 Ų6577 Ų7735%0.34842%0.422SS..SBendtrans-90.315.2175.2-72.3-23.9000111.8K189 A195 F196 I197K189-D193 WeakPolarHBondContact CE-OD2 3.41Å; K189-D193 VanDerWaalsContact CG-OD2 3.25Å; K189-D193 WeakPolarHBondContact CG-OD2 3.24Å; K189-D193 VanDerWaalsContact O-CB 3.29Å; K189-D193 WeakPolarHBondContact O-CB 3.4Å; K189-D193 PolarHBondContact O-N 3.28Å; D193-A195 PolarHBondContact O-N 3.24Å; D193-A195 VanDerWaalsContact O-N 3.15Å; D193-F196 HydrophobicContact CB-CB 4.32Å; D193-F196 WeakPolarHBondContact O-CA 3.35Å; D193-F196 WeakPolarHBondContact O-CB 3.46Å; D193-F196 PolarHBondContact O-N 2.93Å; D193-I197 PolarHBondContact O-N 3.25Å
194L50.1Low47.8Very low33 Ų3376.9 Ų76.917%0.17342%0.421CS..Hα-helixtrans-49-41.7174.2-65.3171000111.1L141 S142 W190 I191 H192 F196 A198L141-L194 WeakPolarHBondContact O-CD2 3.48Å; S142-L194 WeakPolarHBondContact O-CD2 3.14Å; W190-L194 VanDerWaalsContact O-CD2 3.23Å; W190-L194 WeakPolarHBondContact O-CD2 3.33Å; W190-L194 WeakPolarHBondContact O-CG 3.32Å; W190-L194 PolarHBondContact O-N 2.75Å; I191-L194 WeakPolarHBondContact O-CD1 3.38Å; I191-L194 WeakPolarHBondContact O-CG 3.25Å; H192-L194 VanDerWaalsContact C-N 3.27Å; H192-L194 PolarHBondContact O-N 2.92Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 2.95Å; L194-A198 WeakPolarHBondContact O-CB 3.37Å; L194-A198 PolarHBondContact O-N 2.67Å
195A47.1Very low48.1Very low79 Ų7976 Ų7665%0.65340%0.404SS*.Hα-helixtrans-65.6-35.2178.400000112.7D193 S199D193-A195 PolarHBondContact O-N 3.24Å; D193-A195 VanDerWaalsContact O-N 3.15Å; A195-S199 WeakPolarHBondContact O-CB 3.37Å; A195-S199 PolarHBondContact O-N 3.09Å
196F55Low48.6Very low98 Ų9878 Ų7843%0.4341%0.413SS..Hα-helixtrans-72.1-50.6177.5176.4-99.6000110.7D193 L194 A198 S199 Q200 F263D193-F196 HydrophobicContact CB-CB 4.32Å; D193-F196 WeakPolarHBondContact O-CA 3.35Å; D193-F196 WeakPolarHBondContact O-CB 3.46Å; D193-F196 PolarHBondContact O-N 2.93Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 2.95Å; F196-A198 PolarHBondContact O-N 2.61Å; F196-S199 PolarHBondContact O-N 2.72Å; F196-S199 PolarHBondContact O-OG 3.07Å; F196-Q200 HydrophobicContact CE1-CG 4.21Å; F196-Q200 HydrophobicContact CE2-CG 4.39Å; F196-Q200 HydrophobicContact CZ-CG 4.08Å; F196-Q200 WeakPolarHBondContact O-CG 3.35Å; F196-Q200 PolarHBondContact O-N 2.82Å; F196-F263 HydrophobicContact CD1-CE1 4.45Å; F196-F263 AromaticContact CE1-CE1 3.81Å; F196-F263 HydrophobicContact CE1-CE1 3.81Å; F196-F263 AromaticContact CE1-CZ 3.78Å; F196-F263 HydrophobicContact CE1-CZ 3.78Å
197I54.5Low49.3Very low10 Ų1078.8 Ų78.85%0.05143%0.425CS..Hα-helixtrans-57.3-41175.7-59.9172.5000109W190 D193 S199 Q200 S201W190-I197 HydrophobicContact CD2-CD1 3.82Å; W190-I197 HydrophobicContact CE3-CD1 3.94Å; W190-I197 HydrophobicContact CG-CD1 4.39Å; W190-I197 HydrophobicContact CH2-CD1 4.16Å; W190-I197 HydrophobicContact CZ2-CD1 4.04Å; W190-I197 HydrophobicContact CZ3-CD1 4.1Å; D193-I197 PolarHBondContact O-N 3.25Å; I197-S199 VanDerWaalsContact C-N 3.31Å; I197-S199 PolarHBondContact O-N 2.98Å; I197-Q200 PolarHBondContact O-N 2.87Å; I197-S201 PolarHBondContact O-N 3.28Å; I197-S201 VanDerWaalsContact O-N 3.16Å; I197-S201 PolarHBondContact O-OG 2.81Å; I197-S201 VanDerWaalsContact O-OG 3.05Å
198A49.7Very low50.4Low34 Ų3482.4 Ų82.428%0.28146%0.456SS..Hα-helixtrans-67.3-26.9177.200000116.1F144 L194 F196 Q200F144-A198 HydrophobicContact CD2-CB 4.32Å; F144-A198 HydrophobicContact CE1-CB 4.11Å; F144-A198 HydrophobicContact CE2-CB 3.36Å; F144-A198 HydrophobicContact CZ-CB 3.27Å; F144-A198 WeakPolarHBondContact CZ-O 3.04Å; L194-A198 WeakPolarHBondContact O-CB 3.37Å; L194-A198 PolarHBondContact O-N 2.67Å; F196-A198 PolarHBondContact O-N 2.61Å; A198-Q200 VanDerWaalsContact C-N 3.27Å; A198-Q200 PolarHBondContact O-N 3.13Å
199S51.3Low51.8Low75 Ų7582 Ų8252%0.52445%0.453SS..Hα-helixtrans-72.4-22.4172.171.80000113.1A195 F196 I197A195-S199 WeakPolarHBondContact O-CB 3.37Å; A195-S199 PolarHBondContact O-N 3.09Å; F196-S199 PolarHBondContact O-N 2.72Å; F196-S199 PolarHBondContact O-OG 3.07Å; I197-S199 VanDerWaalsContact C-N 3.31Å; I197-S199 PolarHBondContact O-N 2.98Å
200Q54.2Low53.8Low63 Ų6379.7 Ų79.729%0.29445%0.45SS..Hα-helixtrans-95-35.9-174.1-59.3-61.4-28.800113F196 I197 A198 G202 D259 F263F196-Q200 HydrophobicContact CE1-CG 4.21Å; F196-Q200 HydrophobicContact CE2-CG 4.39Å; F196-Q200 HydrophobicContact CZ-CG 4.08Å; F196-Q200 WeakPolarHBondContact O-CG 3.35Å; F196-Q200 PolarHBondContact O-N 2.82Å; I197-Q200 PolarHBondContact O-N 2.87Å; A198-Q200 VanDerWaalsContact C-N 3.27Å; A198-Q200 PolarHBondContact O-N 3.13Å; Q200-G202 PolarHBondContact O-N 2.79Å; Q200-G202 VanDerWaalsContact O-N 3.09Å; Q200-D259 HydrophobicContact CB-CB 4.38Å; Q200-F263 HydrophobicContact CB-CE2 4.17Å; Q200-F263 HydrophobicContact CG-CE2 4.37Å; Q200-F263 HydrophobicContact CG-CZ 4.26Å
201S52.4Low56Low37 Ų3781.6 Ų81.626%0.25946%0.458SS..SBendtrans-74.56.2178.643.10000114.3F144 I197F144-S201 WeakPolarHBondContact CE2-OG 3.19Å; F144-S201 WeakPolarHBondContact CZ-OG 3.34Å; I197-S201 PolarHBondContact O-N 3.28Å; I197-S201 VanDerWaalsContact O-N 3.16Å; I197-S201 PolarHBondContact O-OG 2.81Å; I197-S201 VanDerWaalsContact O-OG 3.05Å
202G46.5Very low58.1Low53 Ų5382.7 Ų82.755%0.54646%0.462SS..  trans-94.625-17200000116.4Q200 E204Q200-G202 PolarHBondContact O-N 2.79Å; Q200-G202 VanDerWaalsContact O-N 3.09Å; G202-E204 PolarHBondContact O-N 3.14Å
203T44.5Very low60.3Low110 Ų11077.1 Ų77.168%0.67544%0.436SS*.  trans-76.472.5170.557.40000110.5Y205T203-Y205 PolarHBondContact O-N 3.36Å
204E50.2Low62.2Low157 Ų15774.4 Ų74.473%0.73442%0.421SS*.  trans-59112.3177.4-164.6179.2-15000110G202 K206G202-E204 PolarHBondContact O-N 3.14Å; E204-K206 PolarHBondContact O-N 3.48Å
205Y50.5Low64.3Low104 Ų10476.1 Ų76.141%0.40843%0.426SS..  trans-70.6111.2174.9-176.8-104.7000109.7T203 G207T203-Y205 PolarHBondContact O-N 3.36Å; Y205-G207 VanDerWaalsContact C-N 3.3Å; Y205-G207 WeakPolarHBondContact CD1-O 3.4Å; Y205-G207 VanDerWaalsContact CE1-C 3.43Å; Y205-G207 WeakPolarHBondContact CE1-O 3.45Å; Y205-G207 PolarHBondContact O-N 2.79Å
206K52.4Low66.6Low194 Ų19473.3 Ų73.384%0.84340%0.399SS*.  trans-83.13.7-178.8-64.3-170.3176.8-176.20114.9E204E204-K206 PolarHBondContact O-N 3.48Å
207G56.7Low68.4Low32 Ų3269.4 Ų69.433%0.3338%0.384SS..SBendtrans-89.7165.7177.900000112.7Y205 K209Y205-G207 VanDerWaalsContact C-N 3.3Å; Y205-G207 WeakPolarHBondContact CD1-O 3.4Å; Y205-G207 VanDerWaalsContact CE1-C 3.43Å; Y205-G207 WeakPolarHBondContact CE1-O 3.45Å; Y205-G207 PolarHBondContact O-N 2.79Å; G207-K209 PolarHBondContact O-N 3.2Å
208A62.9Low70.4Confident95 Ų9569.4 Ų69.479%0.78538%0.383SS*.  trans-56.8125.9170.200000109.6P210A208-P210 WeakPolarHBondContact O-CD 3.36Å
209K72.2Confident72.5Confident112 Ų11268 Ų6849%0.48737%0.372SS..  trans-82106.1175.7-62.4176.3-173.9174.70107.3E149 G207 Y211E149-K209 IonicContact OE2-NZ 3.04Å; E149-K209 PolarHBondContact OE2-NZ 3.08Å; G207-K209 PolarHBondContact O-N 3.2Å; K209-Y211 PolarHBondContact O-N 2.74Å; K209-Y211 VanDerWaalsContact O-N 3.16Å
210P84Confident74.5Confident78 Ų7864.8 Ų64.851%0.50635%0.348SS..SBendtrans-69.5-12.4-176.128.3-34.1000113A208 Y243A208-P210 WeakPolarHBondContact O-CD 3.36Å; P210-Y243 HydrophobicContact CG-CD2 4.39Å; P210-Y243 HydrophobicContact CG-CE1 4.17Å; P210-Y243 HydrophobicContact CG-CE2 3.92Å
211Y90.5Very high76.3Confident81 Ų8163.1 Ų63.132%0.31835%0.348SS..  trans-137145.8-175-61.7-65.2000110K209 K239 N240 Y243K209-Y211 PolarHBondContact O-N 2.74Å; K209-Y211 VanDerWaalsContact O-N 3.16Å; Y211-K239 HydrophobicContact CE1-CB 4.23Å; Y211-N240 VanDerWaalsContact CB-OD1 3.29Å; Y211-N240 WeakPolarHBondContact CB-OD1 3.49Å; Y211-N240 WeakPolarHBondContact CD1-OD1 3.39Å; Y211-N240 HydrophobicContact CG-CB 4.49Å; Y211-Y243 VanDerWaalsContact CD2-CB 3.48Å; Y211-Y243 AromaticContact CD2-CD1 3.87Å; Y211-Y243 HydrophobicContact CD2-CD1 3.87Å; Y211-Y243 AromaticContact CD2-CD2 3.91Å; Y211-Y243 HydrophobicContact CD2-CD2 3.91Å; Y211-Y243 AromaticContact CD2-CG 3.47Å; Y211-Y243 HydrophobicContact CD2-CG 3.47Å; Y211-Y243 VanDerWaalsContact CD2-CG 3.47Å; Y211-Y243 AromaticContact CE2-CD2 3.91Å; Y211-Y243 HydrophobicContact CE2-CD2 3.91Å; Y211-Y243 AromaticContact CE2-CG 3.89Å; Y211-Y243 HydrophobicContact CE2-CG 3.89Å
212Q92.1Very high77.9Confident95 Ų9566.7 Ų66.744%0.44436%0.361SS..  trans-128.8153.7175.8-67.7-178.2-80.200109.2I159 N240I159-Q212 HydrophobicContact CD1-CB 3.98Å; I159-Q212 HydrophobicContact CG1-CB 4.32Å; I159-Q212 HydrophobicContact CG2-CB 3.92Å; Q212-N240 PolarHBondContact N-OD1 3.21Å; Q212-N240 PolarHBondContact O-OD1 2.88Å; Q212-N240 VanDerWaalsContact O-OD1 3.07Å
213I94.8Very high79.6Confident15 Ų1569 Ų698%0.07736%0.364CS..  trans-137157.2176.466.4177.9000108.2P151 R215 F231 A233 F234 A235 N240 F241 M244P151-I213 WeakPolarHBondContact CD-O 3.24Å; I213-R215 HydrophobicContact CD1-CG 3.67Å; I213-R215 HydrophobicContact CG1-CG 3.86Å; I213-F231 HydrophobicContact CD1-CZ 4.22Å; I213-A233 HydrophobicContact CB-CB 4.22Å; I213-A233 HydrophobicContact CD1-CB 3.68Å; I213-A233 HydrophobicContact CG1-CB 4.21Å; I213-F234 WeakPolarHBondContact CA-O 3.2Å; I213-A235 HydrophobicContact CG2-CB 4.17Å; I213-N240 HydrophobicContact CG2-CB 3.76Å; I213-F241 HydrophobicContact CB-CE1 4.21Å; I213-F241 HydrophobicContact CG2-CD1 3.78Å; I213-F241 HydrophobicContact CG2-CE1 3.66Å; I213-M244 HydrophobicContact CD1-CE 4.3Å; I213-M244 HydrophobicContact CD1-SD 3.5Å; I213-M244 WeakPolarHBondContact CD1-SD 3.22Å; I213-M244 HydrophobicContact CG1-CE 4.08Å; I213-M244 HydrophobicContact CG1-SD 3.95Å; I213-M244 HydrophobicContact CG2-CE 3.89Å; I213-M244 HydrophobicContact CG2-SD 3.99Å
214Y95.2Very high81.3Confident8 Ų867.6 Ų67.63%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-105.2110.7168.8179.6-134.8000109.7V5 S7 N150 P151 R156 C160 Q216 A233 F234V5-Y214 WeakPolarHBondContact O-CD1 3.46Å; V5-Y214 VanDerWaalsContact O-CE1 3.3Å; V5-Y214 WeakPolarHBondContact O-CE1 3.43Å; S7-Y214 PolarHBondContact O-OH 2.86Å; N150-Y214 HydrophobicContact CB-CD2 3.84Å; N150-Y214 HydrophobicContact CB-CE2 4.06Å; P151-Y214 HydrophobicContact CG-CD2 4.26Å; P151-Y214 HydrophobicContact CG-CG 4.47Å; R156-Y214 HydrophobicContact CG-CD2 4.48Å; R156-Y214 HydrophobicContact CG-CG 4.49Å; R156-Y214 PolarHBondContact NH1-OH 3.17Å; C160-Y214 WeakPolarHBondContact SG-CB 3.49Å; Y214-Q216 HydrophobicContact CD1-CG 4.2Å; Y214-Q216 HydrophobicContact CE1-CG 3.8Å; Y214-A233 CarbonylContact O-C 3.53Å; Y214-A233 VanDerWaalsContact O-CA 3.22Å; Y214-A233 WeakPolarHBondContact O-CA 3.39Å; Y214-F234 PolarHBondContact N-O 3.31Å; Y214-F234 PolarHBondContact O-N 2.86Å
215R94.5Very high82.8Confident69 Ų6964.3 Ų64.326%0.2635%0.349SS..EExtended strand (participates in β ladder)trans-91.1138.9-178.2-61.5-173.9-69.9149.47110.9D146 N150 I213 F231 I232 A233D146-R215 IonicContact OD1-CZ 3.77Å; D146-R215 IonicContact OD1-NE 2.74Å; D146-R215 IonicContact OD1-NH1 3.88Å; D146-R215 PolarHBondContact OD1-NH1 2.78Å; D146-R215 IonicContact OD1-NH2 2.67Å; D146-R215 PolarHBondContact OD1-NH2 2.79Å; N150-R215 PolarHBondContact ND2-O 3Å; N150-R215 PolarHBondContact OD1-N 2.94Å; I213-R215 HydrophobicContact CD1-CG 3.67Å; I213-R215 HydrophobicContact CG1-CG 3.86Å; R215-F231 HydrophobicContact CG-CE2 4.23Å; R215-I232 WeakPolarHBondContact CA-O 3.03Å; R215-A233 HydrophobicContact CG-CB 4.02Å
216Q93.9Very high84.4Confident19 Ų1963.4 Ų63.49%0.08935%0.349CS..  trans-132.534.2174-53.7-173.931.500111.2D4 V5 Y214 I232 F234D4-Q216 PolarHBondContact O-NE2 3.1Å; V5-Q216 PolarHBondContact O-NE2 2.01Å; Y214-Q216 HydrophobicContact CD1-CG 4.2Å; Y214-Q216 HydrophobicContact CE1-CG 3.8Å; Q216-I232 HydrophobicContact CB-CG2 3.9Å; Q216-I232 PolarHBondContact N-O 3.38Å; Q216-I232 WeakPolarHBondContact O-CG2 3.13Å; Q216-F234 HydrophobicContact CG-CD2 4.5Å; Q216-F234 HydrophobicContact CG-CE2 4.37Å
217S93.7Very high86.2Confident16 Ų1654.9 Ų54.911%0.11231%0.314CS..  trans-61.1152-175.8-23.40000112.2D146 L230D146-S217 WeakPolarHBondContact OD2-CB 3.35Å; D146-S217 PolarHBondContact OD2-OG 2.84Å; S217-L230 CarbonylContact C-O 3.44Å; S217-L230 WeakPolarHBondContact CA-O 3.15Å; S217-L230 WeakPolarHBondContact CB-O 3.21Å
218M95.2Very high87.9Confident10 Ų1053.6 Ų53.65%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-133.9138.4174.1-70.1-167.7154.400111.6R10 G13 F15 V134 L230R10-M218 WeakPolarHBondContact O-CE 3.15Å; G13-M218 VanDerWaalsContact CA-SD 3.54Å; G13-M218 PolarHBondContact N-SD 2.81Å; F15-M218 HydrophobicContact CE2-CB 4.32Å; V134-M218 HydrophobicContact CG2-CE 4.01Å; M218-L230 PolarHBondContact N-O 2.88Å; M218-L230 WeakPolarHBondContact O-CB 3.07Å; M218-L230 PolarHBondContact O-N 3.36Å
219P94.4Very high89.3Confident6 Ų650.7 Ų50.74%0.03927%0.272CS..EExtended strand (participates in β ladder)trans-65.2154.316629.7-35.4000111.1G132 F133 L141 G228G132-P219 CarbonylContact C-O 3.4Å; G132-P219 WeakPolarHBondContact CA-O 3.35Å; F133-P219 HydrophobicContact CD2-CG 4.24Å; F133-P219 HydrophobicContact CE2-CB 4.46Å; F133-P219 HydrophobicContact CE2-CG 4.07Å; F133-P219 HydrophobicContact CZ-CB 4.39Å; F133-P219 HydrophobicContact CZ-CG 4.45Å; F133-P219 PolarHBondContact N-O 3.24Å; F133-P219 WeakPolarHBondContact O-CD 3.3Å; F133-P219 WeakPolarHBondContact O-CG 3.45Å; L141-P219 HydrophobicContact CD1-CB 4.22Å; L141-P219 HydrophobicContact CD2-CB 3.74Å; L141-P219 HydrophobicContact CD2-CG 4.47Å; L141-P219 HydrophobicContact CG-CB 3.54Å; P219-G228 VanDerWaalsContact CA-O 3.27Å; P219-G228 WeakPolarHBondContact CA-O 3.45Å
220F94.8Very high90.4Very high6 Ų645.3 Ų45.33%0.02625%0.249CC..EExtended strand (participates in β ladder)trans-143.7165174.976.9-80.1000111I130 K176 A227 G228 L230I130-F220 HydrophobicContact CD1-CE2 4.42Å; I130-F220 HydrophobicContact CG2-CB 3.83Å; I130-F220 HydrophobicContact CG2-CD2 3.49Å; I130-F220 VanDerWaalsContact CG2-CD2 3.49Å; I130-F220 HydrophobicContact CG2-CE2 4.16Å; I130-F220 HydrophobicContact CG2-CG 3.71Å; K176-F220 HydrophobicContact CG-CZ 4.16Å; F220-A227 CarbonylContact O-C 3.56Å; F220-A227 WeakPolarHBondContact O-CA 3.06Å; F220-A227 WeakPolarHBondContact O-CB 3.23Å; F220-G228 VanDerWaalsContact CD1-C 3.41Å; F220-G228 WeakPolarHBondContact CD1-O 3.32Å; F220-G228 VanDerWaalsContact CE1-C 3.46Å; F220-G228 PolarHBondContact N-O 3.45Å; F220-G228 PolarHBondContact O-N 2.79Å; F220-L230 HydrophobicContact CB-CD1 4.03Å; F220-L230 HydrophobicContact CB-CG 4.08Å; F220-L230 HydrophobicContact CD1-CD1 4.35Å; F220-L230 HydrophobicContact CD1-CD2 3.45Å; F220-L230 VanDerWaalsContact CD1-CD2 3.45Å; F220-L230 HydrophobicContact CD1-CG 3.51Å; F220-L230 HydrophobicContact CE1-CD2 3.62Å; F220-L230 HydrophobicContact CE1-CG 4.17Å; F220-L230 HydrophobicContact CG-CD1 4.35Å; F220-L230 HydrophobicContact CG-CD2 3.99Å; F220-L230 HydrophobicContact CG-CG 3.99Å; F220-L230 HydrophobicContact CZ-CD2 4.31Å
221G90.1Very high90.9Very high28 Ų2843.4 Ų43.429%0.28923%0.233SC..EExtended strand (participates in β ladder)trans118.2-176.9166.700000115.2E226G221-E226 CarbonylContact C-O 3.52Å; G221-E226 WeakPolarHBondContact CA-O 3.25Å
222E87.4Confident91.2Very high113 Ų11339.5 Ų39.553%0.52822%0.217SC..  trans-121.5151.2-176.9-62.5-66.8170.200110.6S224 T225 E226E222-S224 PolarHBondContact O-N 2.83Å; E222-T225 PolarHBondContact O-N 3.12Å; E222-E226 PolarHBondContact N-O 3.41Å
223V82.2Confident91.4Very high100 Ų10035 Ų3561%0.60620%0.196SC*.THydrogen-bonded Turntrans-61.2-35.8179176.60000111.7T187T187-V223 HydrophobicContact CG2-CB 4.18Å; T187-V223 HydrophobicContact CG2-CG1 4.16Å; T187-V223 HydrophobicContact CG2-CG2 4.26Å; T187-V223 WeakPolarHBondContact OG1-CG1 3.38Å; T187-V223 PolarHBondContact OG1-O 3.49Å
224S80Confident91.6Very high82 Ų8234.3 Ų34.357%0.57319%0.193SC*.THydrogen-bonded Turntrans-83-16-176.351.90000114.9E222E222-S224 PolarHBondContact O-N 2.83Å
225T81.1Confident91.7Very high87 Ų8733.9 Ų33.953%0.53419%0.191SC..SBendtrans-128.2-126.5-172.963.70000111.1E222E222-T225 PolarHBondContact O-N 3.12Å
226E85.4Confident91.8Very high86 Ų8633.2 Ų33.240%0.40219%0.193SC..  trans-94.4143.7179.658.4-175-145.900110.4K176 G221 E222K176-E226 HydrophobicContact CD-CB 4.48Å; K176-E226 VanDerWaalsContact CD-OE2 3.27Å; K176-E226 WeakPolarHBondContact CD-OE2 3.29Å; K176-E226 VanDerWaalsContact CE-CD 3.46Å; K176-E226 WeakPolarHBondContact CE-OE1 2.97Å; K176-E226 VanDerWaalsContact CE-OE2 3.27Å; K176-E226 WeakPolarHBondContact CE-OE2 3.49Å; K176-E226 IonicContact NZ-OE1 2.98Å; K176-E226 PolarHBondContact NZ-OE1 3.08Å; K176-E226 IonicContact NZ-OE2 3.16Å; K176-E226 PolarHBondContact NZ-OE2 2.88Å; G221-E226 CarbonylContact C-O 3.52Å; G221-E226 WeakPolarHBondContact CA-O 3.25Å; E222-E226 PolarHBondContact N-O 3.41Å
227A90Very high91.9Very high14 Ų1433.9 Ų33.912%0.11620%0.2CC..EExtended strand (participates in β ladder)trans-139157.1170.400000109.7L141 A177 F220L141-A227 HydrophobicContact CD1-CB 3.56Å; A177-A227 WeakPolarHBondContact CB-O 3.31Å; A177-A227 PolarHBondContact N-O 2.76Å; F220-A227 CarbonylContact O-C 3.56Å; F220-A227 WeakPolarHBondContact O-CA 3.06Å; F220-A227 WeakPolarHBondContact O-CB 3.23Å
228G91.5Very high92.1Very high5 Ų534 Ų345%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-177.4-163.4-169.600000114.2H175 P219 F220H175-G228 CarbonylContact O-C 3.58Å; H175-G228 WeakPolarHBondContact O-CA 3.25Å; P219-G228 VanDerWaalsContact CA-O 3.27Å; P219-G228 WeakPolarHBondContact CA-O 3.45Å; F220-G228 VanDerWaalsContact CD1-C 3.41Å; F220-G228 WeakPolarHBondContact CD1-O 3.32Å; F220-G228 VanDerWaalsContact CE1-C 3.46Å; F220-G228 PolarHBondContact N-O 3.45Å; F220-G228 PolarHBondContact O-N 2.79Å
229L92.7Very high92.1Very high34 Ų3439.7 Ų39.718%0.17822%0.224CC..EExtended strand (participates in β ladder)trans-122.3129.5178.7-172.471.1000109.9D140 H175D140-L229 HydrophobicContact CB-CD1 4.02Å; H175-L229 HydrophobicContact CB-CB 4.46Å; H175-L229 PolarHBondContact N-O 3.45Å; H175-L229 PolarHBondContact O-N 2.97Å
230L95.6Very high92.1Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-91.693.7165.3-54.3177.2000107F15 W17 I130 S173 S217 M218 F220F15-L230 HydrophobicContact CB-CD1 4.21Å; F15-L230 HydrophobicContact CD1-CB 3.91Å; F15-L230 HydrophobicContact CD1-CD1 4.34Å; F15-L230 HydrophobicContact CD2-CB 4.15Å; F15-L230 HydrophobicContact CD2-CD1 3.35Å; F15-L230 HydrophobicContact CD2-CG 4.35Å; F15-L230 HydrophobicContact CE1-CB 3.64Å; F15-L230 HydrophobicContact CE2-CB 3.93Å; F15-L230 HydrophobicContact CE2-CD1 3.72Å; F15-L230 HydrophobicContact CE2-CG 4.48Å; F15-L230 HydrophobicContact CG-CB 4.17Å; F15-L230 HydrophobicContact CG-CD1 3.73Å; F15-L230 HydrophobicContact CG-CG 4.45Å; F15-L230 HydrophobicContact CZ-CB 3.67Å; F15-L230 HydrophobicContact CZ-CD1 4.34Å; W17-L230 HydrophobicContact CH2-CD2 4.18Å; I130-L230 HydrophobicContact CB-CD1 4.03Å; I130-L230 HydrophobicContact CB-CD2 4.16Å; I130-L230 HydrophobicContact CD1-CD2 4.02Å; I130-L230 HydrophobicContact CG2-CD1 3.76Å; I130-L230 HydrophobicContact CG2-CD2 3.97Å; I130-L230 HydrophobicContact CG2-CG 4.36Å; S173-L230 CarbonylContact O-C 3.46Å; S217-L230 CarbonylContact C-O 3.44Å; S217-L230 WeakPolarHBondContact CA-O 3.15Å; S217-L230 WeakPolarHBondContact CB-O 3.21Å; M218-L230 PolarHBondContact N-O 2.88Å; M218-L230 WeakPolarHBondContact O-CB 3.07Å; M218-L230 PolarHBondContact O-N 3.36Å; F220-L230 HydrophobicContact CB-CD1 4.03Å; F220-L230 HydrophobicContact CB-CG 4.08Å; F220-L230 HydrophobicContact CD1-CD1 4.35Å; F220-L230 HydrophobicContact CD1-CD2 3.45Å; F220-L230 VanDerWaalsContact CD1-CD2 3.45Å; F220-L230 HydrophobicContact CD1-CG 3.51Å; F220-L230 HydrophobicContact CE1-CD2 3.62Å; F220-L230 HydrophobicContact CE1-CG 4.17Å; F220-L230 HydrophobicContact CG-CD1 4.35Å; F220-L230 HydrophobicContact CG-CD2 3.99Å; F220-L230 HydrophobicContact CG-CG 3.99Å; F220-L230 HydrophobicContact CZ-CD2 4.31Å
231F94.8Very high92.1Very high37 Ų3739.9 Ų39.916%0.16223%0.225CC..EExtended strand (participates in β ladder)trans-76.5128.2176.4177.3-98.2000109.8V171 S172 S173 I213 R215 A233V171-F231 HydrophobicContact CG1-CD1 4.34Å; V171-F231 HydrophobicContact CG1-CE1 3.55Å; V171-F231 HydrophobicContact CG1-CZ 4.37Å; V171-F231 HydrophobicContact CG2-CE1 4.27Å; S172-F231 CarbonylContact C-O 3.54Å; S172-F231 WeakPolarHBondContact CA-O 3.47Å; S173-F231 PolarHBondContact N-O 3.02Å; S173-F231 PolarHBondContact O-N 2.78Å; S173-F231 WeakPolarHBondContact OG-CB 3.35Å; S173-F231 WeakPolarHBondContact OG-CD1 3.48Å; I213-F231 HydrophobicContact CD1-CZ 4.22Å; R215-F231 HydrophobicContact CG-CE2 4.23Å; F231-A233 HydrophobicContact CE1-CB 4.22Å; F231-A233 HydrophobicContact CZ-CB 3.92Å
232I96.6Very high92.2Very high0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-139.5137.9169.5-178.6173.9000109.1F15 F98 H100 V171 R215 Q216 F234F15-I232 HydrophobicContact CE1-CB 3.79Å; F15-I232 HydrophobicContact CE1-CD1 4.47Å; F15-I232 HydrophobicContact CE1-CG2 3.63Å; F15-I232 HydrophobicContact CZ-CB 4.4Å; F15-I232 HydrophobicContact CZ-CG2 3.72Å; F98-I232 HydrophobicContact CE1-CD1 3.73Å; F98-I232 HydrophobicContact CZ-CD1 4.1Å; H100-I232 HydrophobicContact CB-CD1 4.07Å; V171-I232 VanDerWaalsContact O-CA 3.29Å; V171-I232 WeakPolarHBondContact O-CA 3.35Å; R215-I232 WeakPolarHBondContact CA-O 3.03Å; Q216-I232 HydrophobicContact CB-CG2 3.9Å; Q216-I232 PolarHBondContact N-O 3.38Å; Q216-I232 WeakPolarHBondContact O-CG2 3.13Å; I232-F234 HydrophobicContact CD1-CE1 4.5Å; I232-F234 HydrophobicContact CD1-CE2 3.83Å; I232-F234 HydrophobicContact CD1-CZ 3.61Å; I232-F234 HydrophobicContact CG1-CE2 4.04Å; I232-F234 HydrophobicContact CG1-CZ 4.13Å
233A96.3Very high92.4Very high0 Ų038.3 Ų38.30%021%0.209CC..EExtended strand (participates in β ladder)trans-147.4148.117300000112.3C170 V171 I213 Y214 R215 F231 F241C170-A233 CarbonylContact C-O 3.47Å; C170-A233 VanDerWaalsContact CA-O 3.25Å; C170-A233 WeakPolarHBondContact CA-O 3.27Å; V171-A233 HydrophobicContact CG1-CB 3.92Å; V171-A233 PolarHBondContact N-O 2.78Å; V171-A233 PolarHBondContact O-N 3.36Å; V171-A233 VanDerWaalsContact O-N 3.07Å; I213-A233 HydrophobicContact CB-CB 4.22Å; I213-A233 HydrophobicContact CD1-CB 3.68Å; I213-A233 HydrophobicContact CG1-CB 4.21Å; Y214-A233 CarbonylContact O-C 3.53Å; Y214-A233 VanDerWaalsContact O-CA 3.22Å; Y214-A233 WeakPolarHBondContact O-CA 3.39Å; R215-A233 HydrophobicContact CG-CB 4.02Å; F231-A233 HydrophobicContact CE1-CB 4.22Å; F231-A233 HydrophobicContact CZ-CB 3.92Å; A233-F241 HydrophobicContact CB-CE1 4.04Å; A233-F241 VanDerWaalsContact O-CZ 3.31Å; A233-F241 WeakPolarHBondContact O-CZ 3.44Å
234F97.7Very high92.8Very high0 Ų036.5 Ų36.50%019%0.194CC..EExtended strand (participates in β ladder)trans-112.3144.9179-61.5-80.7000111.3V5 C160 Y169 C170 I213 Y214 Q216 I232 F274V5-F234 HydrophobicContact CB-CD1 4.28Å; V5-F234 HydrophobicContact CB-CE1 4.38Å; V5-F234 HydrophobicContact CB-CG 4.49Å; V5-F234 HydrophobicContact CG1-CB 3.99Å; V5-F234 HydrophobicContact CG1-CD1 3.83Å; V5-F234 HydrophobicContact CG1-CD2 4.47Å; V5-F234 HydrophobicContact CG1-CE1 4.42Å; V5-F234 HydrophobicContact CG1-CG 3.84Å; V5-F234 HydrophobicContact CG2-CD1 3.99Å; V5-F234 HydrophobicContact CG2-CE1 3.81Å; V5-F234 HydrophobicContact CG2-CZ 4.36Å; C160-F234 HydrophobicContact CB-CB 4.24Å; Y169-F234 WeakPolarHBondContact O-CA 3.46Å; C170-F234 HydrophobicContact CB-CD1 3.79Å; C170-F234 HydrophobicContact CB-CE1 3.75Å; I213-F234 WeakPolarHBondContact CA-O 3.2Å; Y214-F234 PolarHBondContact N-O 3.31Å; Y214-F234 PolarHBondContact O-N 2.86Å; Q216-F234 HydrophobicContact CG-CD2 4.5Å; Q216-F234 HydrophobicContact CG-CE2 4.37Å; I232-F234 HydrophobicContact CD1-CE1 4.5Å; I232-F234 HydrophobicContact CD1-CE2 3.83Å; I232-F234 HydrophobicContact CD1-CZ 3.61Å; I232-F234 HydrophobicContact CG1-CE2 4.04Å; I232-F234 HydrophobicContact CG1-CZ 4.13Å; F234-F274 HydrophobicContact CE1-CD1 4.13Å; F234-F274 HydrophobicContact CE1-CD2 4.02Å; F234-F274 HydrophobicContact CE1-CE1 4.03Å; F234-F274 AromaticContact CE1-CE2 3.94Å; F234-F274 HydrophobicContact CE1-CE2 3.94Å; F234-F274 HydrophobicContact CE1-CG 4.13Å; F234-F274 AromaticContact CE1-CZ 3.94Å; F234-F274 HydrophobicContact CE1-CZ 3.94Å; F234-F274 HydrophobicContact CZ-CE1 4.33Å; F234-F274 HydrophobicContact CZ-CZ 4.28Å
235A97.2Very high93.3Very high0 Ų033.1 Ų33.10%017%0.17CC..EExtended strand (participates in β ladder)trans-158.2157.6176.300000110.9I159 C160 Y169 I213 S237 N240 F241I159-A235 CarbonylContact O-C 3.6Å; I159-A235 WeakPolarHBondContact O-CA 3.42Å; C160-A235 CarbonylContact O-C 3.49Å; Y169-A235 WeakPolarHBondContact CB-O 3.19Å; Y169-A235 PolarHBondContact N-O 2.81Å; Y169-A235 PolarHBondContact O-N 2.91Å; I213-A235 HydrophobicContact CG2-CB 4.17Å; A235-S237 PolarHBondContact O-N 3.45Å; A235-N240 HydrophobicContact CB-CB 3.81Å; A235-F241 HydrophobicContact CB-CD1 4.48Å; A235-F241 HydrophobicContact CB-CE1 3.63Å; A235-F241 HydrophobicContact CB-CE2 4.24Å; A235-F241 HydrophobicContact CB-CZ 3.5Å; A235-F241 VanDerWaalsContact CB-CZ 3.5Å
236N96.3Very high93.7Very high55 Ų5531.8 Ų31.829%0.29416%0.159SC..SBendtrans-71.7-8.4176.364.321000114A158 I159 C160 L161 Y169 N240A158-N236 PolarHBondContact O-ND2 3.48Å; I159-N236 WeakPolarHBondContact O-CB 3.1Å; I159-N236 PolarHBondContact O-N 3.41Å; C160-N236 PolarHBondContact O-N 3.23Å; L161-N236 WeakPolarHBondContact O-CB 3.05Å; Y169-N236 WeakPolarHBondContact CD2-O 3.22Å; Y169-N236 WeakPolarHBondContact CE2-O 3.39Å; N236-N240 PolarHBondContact OD1-ND2 3.38Å
237S97Very high93.7Very high33 Ų3329.8 Ų29.823%0.23115%0.148CC..SBendtrans-159.1145.4179.3-179.20000111.4A235 K239 N240A235-S237 PolarHBondContact O-N 3.45Å; S237-K239 PolarHBondContact O-N 2.86Å; S237-K239 PolarHBondContact OG-N 2.9Å; S237-N240 PolarHBondContact O-N 3.27Å; S237-N240 PolarHBondContact O-ND2 3Å
238T97.1Very high93.4Very high19 Ų1930.8 Ų30.812%0.11715%0.151CC..Hα-helixtrans-61.9-21.8173.6570000114.1F78 Y169 N240 F241 D242 Y271F78-T238 HydrophobicContact CB-CG2 3.66Å; Y169-T238 HydrophobicContact CD1-CG2 3.69Å; Y169-T238 HydrophobicContact CE1-CG2 4.35Å; Y169-T238 HydrophobicContact CG-CG2 4.08Å; T238-N240 PolarHBondContact O-N 3.09Å; T238-N240 VanDerWaalsContact O-N 3.09Å; T238-F241 WeakPolarHBondContact O-CA 3.43Å; T238-F241 WeakPolarHBondContact O-CB 3.16Å; T238-F241 PolarHBondContact O-N 3.01Å; T238-D242 PolarHBondContact O-N 3.31Å; T238-Y271 HydrophobicContact CG2-CD2 3.67Å; T238-Y271 HydrophobicContact CG2-CE2 4.01Å; T238-Y271 HydrophobicContact CG2-CG 4.39Å
239K95.3Very high93.2Very high129 Ų12931.8 Ų31.856%0.56115%0.154SC*.Hα-helixtrans-54.1-32.5176.2-68.3179.3-178.6175.10112.8Y211 S237 Y243Y211-K239 HydrophobicContact CE1-CB 4.23Å; S237-K239 PolarHBondContact O-N 2.86Å; S237-K239 PolarHBondContact OG-N 2.9Å; K239-Y243 WeakPolarHBondContact O-CB 3.29Å; K239-Y243 PolarHBondContact O-N 3.27Å
240N94.3Very high92.7Very high12 Ų1231.6 Ų31.66%0.06416%0.16CC..Hα-helixtrans-63.2-46.7176.6-61.3-93.7000110.7Y211 Q212 I213 A235 N236 S237 T238 M244Y211-N240 VanDerWaalsContact CB-OD1 3.29Å; Y211-N240 WeakPolarHBondContact CB-OD1 3.49Å; Y211-N240 WeakPolarHBondContact CD1-OD1 3.39Å; Y211-N240 HydrophobicContact CG-CB 4.49Å; Q212-N240 PolarHBondContact N-OD1 3.21Å; Q212-N240 PolarHBondContact O-OD1 2.88Å; Q212-N240 VanDerWaalsContact O-OD1 3.07Å; I213-N240 HydrophobicContact CG2-CB 3.76Å; A235-N240 HydrophobicContact CB-CB 3.81Å; N236-N240 PolarHBondContact OD1-ND2 3.38Å; S237-N240 PolarHBondContact O-N 3.27Å; S237-N240 PolarHBondContact O-ND2 3Å; T238-N240 PolarHBondContact O-N 3.09Å; T238-N240 VanDerWaalsContact O-N 3.09Å; N240-M244 WeakPolarHBondContact O-CG 2.9Å; N240-M244 PolarHBondContact O-N 3.15Å
241F94.8Very high92Very high3 Ų335.6 Ų35.61%0.01319%0.188CC..Hα-helixtrans-69.9-43.4177.5-49.3-41.6000111.5Y169 V171 I213 A233 A235 T238 Y243 M244 L245 Y271Y169-F241 WeakPolarHBondContact O-CZ 3.45Å; V171-F241 HydrophobicContact CB-CD1 4.3Å; V171-F241 HydrophobicContact CB-CD2 4.02Å; V171-F241 HydrophobicContact CB-CE2 4.27Å; V171-F241 HydrophobicContact CB-CG 4.04Å; V171-F241 HydrophobicContact CG1-CB 4.38Å; V171-F241 HydrophobicContact CG1-CD1 3.48Å; V171-F241 VanDerWaalsContact CG1-CD1 3.48Å; V171-F241 HydrophobicContact CG1-CD2 4.07Å; V171-F241 HydrophobicContact CG1-CE1 3.64Å; V171-F241 HydrophobicContact CG1-CE2 4.21Å; V171-F241 HydrophobicContact CG1-CG 3.72Å; V171-F241 HydrophobicContact CG1-CZ 4Å; I213-F241 HydrophobicContact CB-CE1 4.21Å; I213-F241 HydrophobicContact CG2-CD1 3.78Å; I213-F241 HydrophobicContact CG2-CE1 3.66Å; A233-F241 HydrophobicContact CB-CE1 4.04Å; A233-F241 VanDerWaalsContact O-CZ 3.31Å; A233-F241 WeakPolarHBondContact O-CZ 3.44Å; A235-F241 HydrophobicContact CB-CD1 4.48Å; A235-F241 HydrophobicContact CB-CE1 3.63Å; A235-F241 HydrophobicContact CB-CE2 4.24Å; A235-F241 HydrophobicContact CB-CZ 3.5Å; A235-F241 VanDerWaalsContact CB-CZ 3.5Å; T238-F241 WeakPolarHBondContact O-CA 3.43Å; T238-F241 WeakPolarHBondContact O-CB 3.16Å; T238-F241 PolarHBondContact O-N 3.01Å; F241-Y243 VanDerWaalsContact C-N 3.33Å; F241-Y243 PolarHBondContact O-N 3.37Å; F241-M244 PolarHBondContact O-N 2.82Å; F241-M244 VanDerWaalsContact O-N 3.15Å; F241-L245 WeakPolarHBondContact O-CB 2.95Å; F241-L245 VanDerWaalsContact O-CG 3.31Å; F241-L245 WeakPolarHBondContact O-CG 3.5Å; F241-L245 PolarHBondContact O-N 2.85Å; F241-Y271 HydrophobicContact CB-CE1 3.87Å; F241-Y271 WeakPolarHBondContact CB-OH 3.4Å; F241-Y271 HydrophobicContact CD2-CD1 4.37Å; F241-Y271 HydrophobicContact CD2-CE1 4.11Å; F241-Y271 HydrophobicContact CG-CE1 4.35Å
242D93.7Very high91.1Very high39 Ų3935.2 Ų35.221%0.20919%0.19CC..Hα-helixtrans-59.7-45.9-179.4-67.5-36000111.3R83 T238 M244 L245 D246 Y271R83-D242 IonicContact CZ-OD1 3.26Å; R83-D242 IonicContact NH2-OD1 3.81Å; R83-D242 PolarHBondContact NH2-OD1 2.82Å; T238-D242 PolarHBondContact O-N 3.31Å; D242-M244 VanDerWaalsContact C-N 3.34Å; D242-M244 PolarHBondContact O-N 3.46Å; D242-L245 PolarHBondContact O-N 3.48Å; D242-D246 WeakPolarHBondContact O-CB 3.41Å; D242-D246 PolarHBondContact O-N 3.07Å; D242-Y271 WeakPolarHBondContact OD1-CE2 3.31Å; D242-Y271 PolarHBondContact OD1-OH 3.1Å
243Y90.7Very high90.1Very high69 Ų6945.8 Ų45.827%0.27124%0.236SC..Hα-helixtrans-56.7-46.9175176.9-93.9000112.4P210 Y211 K239 F241 R247P210-Y243 HydrophobicContact CG-CD2 4.39Å; P210-Y243 HydrophobicContact CG-CE1 4.17Å; P210-Y243 HydrophobicContact CG-CE2 3.92Å; Y211-Y243 VanDerWaalsContact CD2-CB 3.48Å; Y211-Y243 AromaticContact CD2-CD1 3.87Å; Y211-Y243 HydrophobicContact CD2-CD1 3.87Å; Y211-Y243 AromaticContact CD2-CD2 3.91Å; Y211-Y243 HydrophobicContact CD2-CD2 3.91Å; Y211-Y243 AromaticContact CD2-CG 3.47Å; Y211-Y243 HydrophobicContact CD2-CG 3.47Å; Y211-Y243 VanDerWaalsContact CD2-CG 3.47Å; Y211-Y243 AromaticContact CE2-CD2 3.91Å; Y211-Y243 HydrophobicContact CE2-CD2 3.91Å; Y211-Y243 AromaticContact CE2-CG 3.89Å; Y211-Y243 HydrophobicContact CE2-CG 3.89Å; K239-Y243 WeakPolarHBondContact O-CB 3.29Å; K239-Y243 PolarHBondContact O-N 3.27Å; F241-Y243 VanDerWaalsContact C-N 3.33Å; F241-Y243 PolarHBondContact O-N 3.37Å; Y243-R247 WeakPolarHBondContact O-CG 3.25Å; Y243-R247 PolarHBondContact O-N 3.19Å; Y243-R247 PolarHBondContact OH-NH1 3.38Å; Y243-R247 VanDerWaalsContact OH-NH1 3.13Å
244M89.7Confident89.1Confident62 Ų6249.1 Ų49.131%0.30525%0.253SS..Hα-helixtrans-71.1-42.7-176.9-67.7-175.8-173.700112I213 N240 F241 D242 R247 M248I213-M244 HydrophobicContact CD1-CE 4.3Å; I213-M244 HydrophobicContact CD1-SD 3.5Å; I213-M244 WeakPolarHBondContact CD1-SD 3.22Å; I213-M244 HydrophobicContact CG1-CE 4.08Å; I213-M244 HydrophobicContact CG1-SD 3.95Å; I213-M244 HydrophobicContact CG2-CE 3.89Å; I213-M244 HydrophobicContact CG2-SD 3.99Å; N240-M244 WeakPolarHBondContact O-CG 2.9Å; N240-M244 PolarHBondContact O-N 3.15Å; F241-M244 PolarHBondContact O-N 2.82Å; F241-M244 VanDerWaalsContact O-N 3.15Å; D242-M244 VanDerWaalsContact C-N 3.34Å; D242-M244 PolarHBondContact O-N 3.46Å; M244-R247 PolarHBondContact O-N 3.2Å; M244-M248 WeakPolarHBondContact O-CB 3.04Å; M244-M248 PolarHBondContact O-N 2.93Å
245L91.5Very high88Confident11 Ų1151.7 Ų51.76%0.05828%0.28CS..Hα-helixtrans-70.9-40179.6-67.5176.5000111.8M90 F241 D242 R247 M248 F249 Y271M90-L245 HydrophobicContact CE-CD2 3.69Å; M90-L245 HydrophobicContact SD-CD1 3.99Å; M90-L245 HydrophobicContact SD-CD2 3.88Å; F241-L245 WeakPolarHBondContact O-CB 2.95Å; F241-L245 VanDerWaalsContact O-CG 3.31Å; F241-L245 WeakPolarHBondContact O-CG 3.5Å; F241-L245 PolarHBondContact O-N 2.85Å; D242-L245 PolarHBondContact O-N 3.48Å; L245-R247 VanDerWaalsContact C-N 3.27Å; L245-R247 PolarHBondContact O-N 2.88Å; L245-M248 HydrophobicContact CD2-CE 3.65Å; L245-M248 WeakPolarHBondContact O-CB 3.45Å; L245-M248 PolarHBondContact O-N 2.97Å; L245-M248 VanDerWaalsContact O-N 3.15Å; L245-F249 VanDerWaalsContact O-CD2 3.25Å; L245-F249 WeakPolarHBondContact O-CD2 3.38Å; L245-F249 PolarHBondContact O-N 2.73Å; L245-Y271 HydrophobicContact CD1-CE1 4.07Å; L245-Y271 WeakPolarHBondContact CD1-OH 3.49Å
246D88.9Confident86.9Confident59 Ų5956.9 Ų56.932%0.31631%0.307SS..Hα-helixtrans-62.7-38.1177-69.8-5.5000111.1R83 D242 G250 S251 S252R83-D246 IonicContact CZ-OD1 3.84Å; R83-D246 IonicContact NE-OD1 3.46Å; R83-D246 PolarHBondContact NE-OD1 3.23Å; R83-D246 IonicContact NH2-OD1 2.8Å; R83-D246 PolarHBondContact NH2-OD1 3.31Å; D242-D246 WeakPolarHBondContact O-CB 3.41Å; D242-D246 PolarHBondContact O-N 3.07Å; D246-G250 PolarHBondContact O-N 2.81Å; D246-S251 WeakPolarHBondContact O-CA 3.48Å; D246-S251 WeakPolarHBondContact O-CB 3.29Å; D246-S251 PolarHBondContact O-N 3.07Å; D246-S252 PolarHBondContact O-N 2.59Å
247R85.6Confident86.1Confident45 Ų4556.8 Ų56.817%0.1731%0.311CS..Hα-helixtrans-65.5-47170.1-73.2-174.569.3110.121.4112.3Y243 M244 L245 F249 G250 S252 D254Y243-R247 WeakPolarHBondContact O-CG 3.25Å; Y243-R247 PolarHBondContact O-N 3.19Å; Y243-R247 PolarHBondContact OH-NH1 3.38Å; Y243-R247 VanDerWaalsContact OH-NH1 3.13Å; M244-R247 PolarHBondContact O-N 3.2Å; L245-R247 VanDerWaalsContact C-N 3.27Å; L245-R247 PolarHBondContact O-N 2.88Å; R247-F249 PolarHBondContact O-N 3.09Å; R247-F249 VanDerWaalsContact O-N 3.15Å; R247-G250 PolarHBondContact O-N 3.28Å; R247-G250 VanDerWaalsContact O-N 3.09Å; R247-S252 WeakPolarHBondContact CA-OG 3.42Å; R247-D254 IonicContact CZ-OD2 3.24Å; R247-D254 VanDerWaalsContact CZ-OD2 3.26Å; R247-D254 IonicContact NH1-OD2 2.79Å; R247-D254 IonicContact NH2-OD2 2.66Å; R247-D254 PolarHBondContact NH2-OD2 2.72Å
248M84.9Confident85.2Confident35 Ų3557.3 Ų57.317%0.17231%0.311CS..Hα-helixtrans-55.5-35.7-179.4-165.3177.669.100111.9M90 M244 L245 D258 I260 I261M90-M248 HydrophobicContact CE-CE 3.89Å; M244-M248 WeakPolarHBondContact O-CB 3.04Å; M244-M248 PolarHBondContact O-N 2.93Å; L245-M248 HydrophobicContact CD2-CE 3.65Å; L245-M248 WeakPolarHBondContact O-CB 3.45Å; L245-M248 PolarHBondContact O-N 2.97Å; L245-M248 VanDerWaalsContact O-N 3.15Å; M248-D258 HydrophobicContact CB-CB 4.39Å; M248-D258 HydrophobicContact CG-CB 3.63Å; M248-D258 PolarHBondContact O-N 3.4Å; M248-I260 HydrophobicContact SD-CG2 4.39Å; M248-I261 HydrophobicContact CE-CG2 4.4Å; M248-I261 HydrophobicContact CG-CG2 3.92Å; M248-I261 HydrophobicContact SD-CG2 4.43Å
249F86.5Confident84.3Confident26 Ų2659.1 Ų59.111%0.11432%0.32CS..BIsolated β-bridgetrans-98.49.1-179.3-70.3-72.2000115.3R83 T88 M90 L245 R247 S251 I261R83-F249 HydrophobicContact CB-CB 4.09Å; R83-F249 HydrophobicContact CB-CD1 4.33Å; R83-F249 HydrophobicContact CB-CD2 3.35Å; R83-F249 HydrophobicContact CB-CE2 3.79Å; R83-F249 HydrophobicContact CB-CG 3.65Å; R83-F249 HydrophobicContact CB-CZ 4.5Å; R83-F249 HydrophobicContact CG-CD2 4.1Å; T88-F249 WeakPolarHBondContact O-CE1 3.46Å; M90-F249 HydrophobicContact CB-CE1 4.35Å; M90-F249 HydrophobicContact CB-CE2 3.61Å; M90-F249 HydrophobicContact CB-CZ 3.4Å; M90-F249 HydrophobicContact CE-CE2 4.08Å; M90-F249 HydrophobicContact CE-CZ 4.32Å; M90-F249 HydrophobicContact CG-CE2 4.46Å; M90-F249 HydrophobicContact SD-CE2 4.11Å; L245-F249 VanDerWaalsContact O-CD2 3.25Å; L245-F249 WeakPolarHBondContact O-CD2 3.38Å; L245-F249 PolarHBondContact O-N 2.73Å; R247-F249 PolarHBondContact O-N 3.09Å; R247-F249 VanDerWaalsContact O-N 3.15Å; F249-S251 VanDerWaalsContact C-N 3.3Å; F249-S251 PolarHBondContact O-N 2.77Å; F249-I261 HydrophobicContact CD1-CD1 4.24Å; F249-I261 HydrophobicContact CD1-CG2 4.3Å; F249-I261 HydrophobicContact CE1-CB 4.35Å; F249-I261 HydrophobicContact CE1-CG2 3.84Å; F249-I261 HydrophobicContact CZ-CG2 4.29Å
250G82.5Confident83.3Confident29 Ų2955.3 Ų55.330%0.29931%0.305SS..THydrogen-bonded Turntrans73.217.4176.800000115.4D246 R247 S252 L256D246-G250 PolarHBondContact O-N 2.81Å; R247-G250 PolarHBondContact O-N 3.28Å; R247-G250 VanDerWaalsContact O-N 3.09Å; G250-S252 VanDerWaalsContact C-N 3.31Å; G250-L256 VanDerWaalsContact CA-O 3.26Å; G250-L256 WeakPolarHBondContact CA-O 3.41Å
251S81.2Confident82.6Confident85 Ų8555.5 Ų55.559%0.59431%0.306SS*.  trans-84.5-5.5174.8-60.10000112.9D246 F249D246-S251 WeakPolarHBondContact O-CA 3.48Å; D246-S251 WeakPolarHBondContact O-CB 3.29Å; D246-S251 PolarHBondContact O-N 3.07Å; F249-S251 VanDerWaalsContact C-N 3.3Å; F249-S251 PolarHBondContact O-N 2.77Å
252S75.8Confident81.9Confident28 Ų2860.1 Ų60.120%0.19633%0.328CS..SBendtrans-77.3159.2175.349.90000112.9D246 R247 G250 D254 G255D246-S252 PolarHBondContact O-N 2.59Å; R247-S252 WeakPolarHBondContact CA-OG 3.42Å; G250-S252 VanDerWaalsContact C-N 3.31Å; S252-D254 WeakPolarHBondContact CB-OD1 3.49Å; S252-D254 PolarHBondContact O-N 2.99Å; S252-D254 VanDerWaalsContact O-N 3.11Å; S252-D254 PolarHBondContact OG-OD1 2.94Å; S252-G255 PolarHBondContact O-N 3.12Å
253K74.7Confident81.2Confident223 Ų22360.7 Ų60.797%0.9733%0.328SS*.THydrogen-bonded Turntrans-61.8-19.6-177.2-64.6-174.1178.6179.90114.8G255K253-G255 VanDerWaalsContact C-N 3.34Å
254D76.7Confident80.9Confident69 Ų6958.3 Ų58.337%0.36932%0.321SS..THydrogen-bonded Turntrans-83.5-10.8178.157.61.9000113.2R247 S252 L256R247-D254 IonicContact CZ-OD2 3.24Å; R247-D254 VanDerWaalsContact CZ-OD2 3.26Å; R247-D254 IonicContact NH1-OD2 2.79Å; R247-D254 IonicContact NH2-OD2 2.66Å; R247-D254 PolarHBondContact NH2-OD2 2.72Å; S252-D254 WeakPolarHBondContact CB-OD1 3.49Å; S252-D254 PolarHBondContact O-N 2.99Å; S252-D254 VanDerWaalsContact O-N 3.11Å; S252-D254 PolarHBondContact OG-OD1 2.94Å; D254-L256 HydrophobicContact CB-CD1 4.45Å; D254-L256 HydrophobicContact CB-CG 4.29Å; D254-L256 PolarHBondContact O-N 2.74Å; D254-L256 PolarHBondContact OD1-N 2.74Å
255G73.2Confident81Confident55 Ų5560.2 Ų60.257%0.56733%0.328SS*.  trans66.811.2178.700000114.6S252 K253S252-G255 PolarHBondContact O-N 3.12Å; K253-G255 VanDerWaalsContact C-N 3.34Å
256L75.2Confident81Confident108 Ų10860.1 Ų60.157%0.56533%0.328SS*.  trans-83.2138.3177.2-61.6177.3000109.6G250 D254G250-L256 VanDerWaalsContact CA-O 3.26Å; G250-L256 WeakPolarHBondContact CA-O 3.41Å; D254-L256 HydrophobicContact CB-CD1 4.45Å; D254-L256 HydrophobicContact CB-CG 4.29Å; D254-L256 PolarHBondContact O-N 2.74Å; D254-L256 PolarHBondContact OD1-N 2.74Å
257S78.3Confident81.2Confident53 Ų5360.1 Ų60.137%0.37133%0.33SS..BIsolated β-bridgetrans-118.3153.716956.10000110.2
258D79.2Confident81.7Confident45 Ų4559.1 Ų59.124%0.24133%0.327CS..  trans-80.7126.1174.7-170-22.7000110M248 I260 I261M248-D258 HydrophobicContact CB-CB 4.39Å; M248-D258 HydrophobicContact CG-CB 3.63Å; M248-D258 PolarHBondContact O-N 3.4Å; D258-I260 HydrophobicContact CB-CG2 4.04Å; D258-I260 PolarHBondContact O-N 3.37Å; D258-I260 VanDerWaalsContact O-N 3.11Å; D258-I260 WeakPolarHBondContact OD1-CB 3.31Å; D258-I260 WeakPolarHBondContact OD1-CG2 2.94Å; D258-I260 PolarHBondContact OD1-N 3.01Å; D258-I260 WeakPolarHBondContact OD2-CG2 3.25Å; D258-I261 VanDerWaalsContact O-CG1 3.29Å; D258-I261 WeakPolarHBondContact O-CG1 2.99Å; D258-I261 PolarHBondContact O-N 3.16Å
259D77.4Confident82.3Confident57 Ų5757.5 Ų57.531%0.30532%0.319SS..THydrogen-bonded Turntrans-63.3-17.6179.4-74.7-38.7000113Q200 I261 H262 F263Q200-D259 HydrophobicContact CB-CB 4.38Å; D259-I261 PolarHBondContact O-N 3.09Å; D259-I261 VanDerWaalsContact O-N 3.1Å; D259-H262 WeakPolarHBondContact O-CB 3.44Å; D259-H262 PolarHBondContact O-N 2.93Å; D259-H262 IonicContact OD1-CD2 3.57Å; D259-F263 HydrophobicContact CB-CE2 4.42Å; D259-F263 WeakPolarHBondContact O-CD2 2.95Å; D259-F263 WeakPolarHBondContact O-CE2 3.32Å
260I75.3Confident82.8Confident48 Ų4856.9 Ų56.925%0.24632%0.317CS..Hα-helixtrans-54.7-32.3176.9-156.9170.5000112.6M248 D258 H262 F263 T264M248-I260 HydrophobicContact SD-CG2 4.39Å; D258-I260 HydrophobicContact CB-CG2 4.04Å; D258-I260 PolarHBondContact O-N 3.37Å; D258-I260 VanDerWaalsContact O-N 3.11Å; D258-I260 WeakPolarHBondContact OD1-CB 3.31Å; D258-I260 WeakPolarHBondContact OD1-CG2 2.94Å; D258-I260 PolarHBondContact OD1-N 3.01Å; D258-I260 WeakPolarHBondContact OD2-CG2 3.25Å; I260-H262 PolarHBondContact O-N 3.25Å; I260-H262 VanDerWaalsContact O-N 3.13Å; I260-F263 PolarHBondContact O-N 3.06Å; I260-T264 HydrophobicContact CG1-CG2 4.48Å; I260-T264 PolarHBondContact O-N 3.16Å; I260-T264 VanDerWaalsContact O-N 3.09Å; I260-T264 PolarHBondContact O-OG1 3.49Å
261I79Confident83.6Confident16 Ų1655.6 Ų55.68%0.08230%0.303CS..Hα-helixtrans-64.6-19.4-18075.5-173.8000112.2K178 M248 F249 D258 D259 T264K178-I261 PolarHBondContact NZ-O 3.5Å; M248-I261 HydrophobicContact CE-CG2 4.4Å; M248-I261 HydrophobicContact CG-CG2 3.92Å; M248-I261 HydrophobicContact SD-CG2 4.43Å; F249-I261 HydrophobicContact CD1-CD1 4.24Å; F249-I261 HydrophobicContact CD1-CG2 4.3Å; F249-I261 HydrophobicContact CE1-CB 4.35Å; F249-I261 HydrophobicContact CE1-CG2 3.84Å; F249-I261 HydrophobicContact CZ-CG2 4.29Å; D258-I261 VanDerWaalsContact O-CG1 3.29Å; D258-I261 WeakPolarHBondContact O-CG1 2.99Å; D258-I261 PolarHBondContact O-N 3.16Å; D259-I261 PolarHBondContact O-N 3.09Å; D259-I261 VanDerWaalsContact O-N 3.1Å; I261-T264 VanDerWaalsContact O-O 3.11Å
262H80.3Confident84.4Confident101 Ų10151.5 Ų51.547%0.46828%0.275SS..Hα-helixtrans-80.6-20175.2-64.3-61.3000112.5K178 D259 I260K178-H262 WeakPolarHBondContact CD-O 3.47Å; D259-H262 WeakPolarHBondContact O-CB 3.44Å; D259-H262 PolarHBondContact O-N 2.93Å; D259-H262 IonicContact OD1-CD2 3.57Å; I260-H262 PolarHBondContact O-N 3.25Å; I260-H262 VanDerWaalsContact O-N 3.13Å
263F79.3Confident85.5Confident50 Ų5050.2 Ų50.222%0.21927%0.266CS..Hα-helixtrans-101-22.7-179-58.1-74.9000113.4K178 W190 F196 Q200 D259 I260K178-F263 WeakPolarHBondContact CB-O 3.45Å; K178-F263 PolarHBondContact N-O 3.05Å; W190-F263 HydrophobicContact CZ2-CB 4.33Å; F196-F263 HydrophobicContact CD1-CE1 4.45Å; F196-F263 AromaticContact CE1-CE1 3.81Å; F196-F263 HydrophobicContact CE1-CE1 3.81Å; F196-F263 AromaticContact CE1-CZ 3.78Å; F196-F263 HydrophobicContact CE1-CZ 3.78Å; Q200-F263 HydrophobicContact CB-CE2 4.17Å; Q200-F263 HydrophobicContact CG-CE2 4.37Å; Q200-F263 HydrophobicContact CG-CZ 4.26Å; D259-F263 HydrophobicContact CB-CE2 4.42Å; D259-F263 WeakPolarHBondContact O-CD2 2.95Å; D259-F263 WeakPolarHBondContact O-CE2 3.32Å; I260-F263 PolarHBondContact O-N 3.06Å
264T84.8Confident86.6Confident19 Ų1939.7 Ų39.712%0.11722%0.22CC..EExtended strand (participates in β ladder)trans-122.6142.4-178.665.10000112.1K176 K178 W190 I260 I261K176-T264 CarbonylContact O-C 3.57Å; K176-T264 WeakPolarHBondContact O-CA 3.36Å; K178-T264 WeakPolarHBondContact CE-O 2.98Å; K178-T264 PolarHBondContact NZ-O 2.92Å; W190-T264 HydrophobicContact CH2-CG2 4.16Å; I260-T264 HydrophobicContact CG1-CG2 4.48Å; I260-T264 PolarHBondContact O-N 3.16Å; I260-T264 VanDerWaalsContact O-N 3.09Å; I260-T264 PolarHBondContact O-OG1 3.49Å; I261-T264 VanDerWaalsContact O-O 3.11Å
265K90.2Very high87.6Confident103 Ų10336.5 Ų36.545%0.44820%0.203SC..EExtended strand (participates in β ladder)trans-103.8114.8172.3-179.1-177.5177.4-176.70107.8I87 H175 K176 K178 V267I87-K265 HydrophobicContact CG1-CD 4.45Å; H175-K265 WeakPolarHBondContact CA-O 3.43Å; K176-K265 PolarHBondContact N-O 3.46Å; K176-K265 PolarHBondContact O-N 2.99Å; K178-K265 HydrophobicContact CD-CB 4.5Å; K178-K265 HydrophobicContact CG-CB 3.96Å; K265-V267 HydrophobicContact CG-CG2 4.43Å; K265-V267 PolarHBondContact O-N 2.81Å
266C92.8Very high88.7Confident9 Ų934 Ų346%0.06118%0.176CC..EExtended strand (participates in β ladder)trans-70.7117.2169.5-172.20000109.1M90 P91M90-C266 HydrophobicContact CB-CB 4.3Å; P91-C266 WeakPolarHBondContact CD-O 3.41Å
267V93.4Very high89.6Confident59 Ų5933.2 Ų33.236%0.35817%0.169SC..EExtended strand (participates in β ladder)trans-96.4-36.7-175.7178.30000111.5S174 K176 K265S174-V267 PolarHBondContact O-N 2.8Å; K176-V267 HydrophobicContact CB-CG2 4.19Å; K176-V267 HydrophobicContact CD-CG2 3.64Å; K176-V267 HydrophobicContact CG-CG2 3.67Å; K265-V267 HydrophobicContact CG-CG2 4.43Å; K265-V267 PolarHBondContact O-N 2.81Å
268Q95.1Very high90.3Very high24 Ų2436.2 Ų36.211%0.11218%0.177CC..EExtended strand (participates in β ladder)trans-142143.6173.153.1175.3-9.300110.4W17 S93 N128 S173 S174W17-Q268 VanDerWaalsContact CH2-NE2 3.26Å; S93-Q268 WeakPolarHBondContact OG-CA 3.37Å; S93-Q268 WeakPolarHBondContact OG-CB 3.16Å; N128-Q268 PolarHBondContact ND2-NE2 3.15Å; S173-Q268 CarbonylContact C-O 3.51Å; S173-Q268 WeakPolarHBondContact CA-O 3.38Å; S173-Q268 WeakPolarHBondContact CB-O 3.39Å; S174-Q268 PolarHBondContact N-O 3.39Å
269S97.2Very high91.1Very high1 Ų135.6 Ų35.61%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-155.7141.8174.2-1760000111.1H80 M90 P91 S93 S172H80-S269 PolarHBondContact CD2-O 2.83Å; H80-S269 PolarHBondContact CE1-OG 3.01Å; H80-S269 PolarHBondContact NE2-OG 3.11Å; M90-S269 PolarHBondContact SD-OG 2.92Å; P91-S269 WeakPolarHBondContact O-CB 3.35Å; S93-S269 PolarHBondContact N-O 3.4Å; S93-S269 PolarHBondContact OG-N 3.34Å; S172-S269 VanDerWaalsContact O-CA 3.27Å; S172-S269 WeakPolarHBondContact O-CA 3.44Å; S172-S269 PolarHBondContact O-OG 2.96Å
270N98.2Very high92Very high13 Ų1333.1 Ų33.17%0.0716%0.159CC..EExtended strand (participates in β ladder)trans-158.3160.7175.5-165.929000111.1G94 S172 W272G94-N270 VanDerWaalsContact C-ND2 3.31Å; G94-N270 WeakPolarHBondContact O-CB 3.42Å; G94-N270 PolarHBondContact O-ND2 2.95Å; S172-N270 PolarHBondContact N-O 3.17Å; S172-N270 VanDerWaalsContact N-O 3.08Å; S172-N270 PolarHBondContact O-N 3.43Å; S172-N270 VanDerWaalsContact O-N 3.12Å; N270-W272 HydrophobicContact CB-CH2 4.44Å; N270-W272 HydrophobicContact CB-CZ2 3.62Å; N270-W272 WeakPolarHBondContact ND2-CZ2 3.43Å; N270-W272 PolarHBondContact O-NE1 3.01Å
271Y98.6Very high92.9Very high1 Ų136.8 Ų36.80%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-96.2146.6165.3-68.5-11.2000110.5H80 C170 V171 T238 F241 D242 L245H80-Y271 HydrophobicContact CB-CD1 4.17Å; H80-Y271 HydrophobicContact CB-CD2 3.94Å; H80-Y271 HydrophobicContact CB-CE2 4.45Å; H80-Y271 HydrophobicContact CB-CG 3.78Å; H80-Y271 AromaticContact ND1-CD1 3.85Å; H80-Y271 AromaticContact ND1-CE1 3.61Å; H80-Y271 AromaticContact ND1-CZ 3.85Å; C170-Y271 CarbonylContact O-C 3.54Å; C170-Y271 WeakPolarHBondContact O-CA 3.44Å; V171-Y271 HydrophobicContact CB-CD1 3.78Å; V171-Y271 HydrophobicContact CB-CE1 3.82Å; V171-Y271 HydrophobicContact CG2-CD1 3.87Å; V171-Y271 HydrophobicContact CG2-CE1 3.74Å; T238-Y271 HydrophobicContact CG2-CD2 3.67Å; T238-Y271 HydrophobicContact CG2-CE2 4.01Å; T238-Y271 HydrophobicContact CG2-CG 4.39Å; F241-Y271 HydrophobicContact CB-CE1 3.87Å; F241-Y271 WeakPolarHBondContact CB-OH 3.4Å; F241-Y271 HydrophobicContact CD2-CD1 4.37Å; F241-Y271 HydrophobicContact CD2-CE1 4.11Å; F241-Y271 HydrophobicContact CG-CE1 4.35Å; D242-Y271 WeakPolarHBondContact OD1-CE2 3.31Å; D242-Y271 PolarHBondContact OD1-OH 3.1Å; L245-Y271 HydrophobicContact CD1-CE1 4.07Å; L245-Y271 WeakPolarHBondContact CD1-OH 3.49Å
272W98.6Very high93.8Very high0 Ų039.9 Ų39.90%019%0.19CC..EExtended strand (participates in β ladder)trans-135.1152.5-178.2-46.589.6000109.9W17 F61 L97 F98 Y169 C170 S172 N270 F274W17-W272 AromaticContact CD1-CZ2 3.48Å; W17-W272 VanDerWaalsContact CD1-CZ2 3.48Å; W17-W272 AromaticContact NE1-CZ2 3.94Å; F61-W272 WeakPolarHBondContact O-CA 3.35Å; L97-W272 VanDerWaalsContact C-CZ3 3.46Å; F98-W272 HydrophobicContact CB-CD2 3.32Å; F98-W272 VanDerWaalsContact CB-CE2 3.44Å; F98-W272 HydrophobicContact CB-CE3 3.41Å; F98-W272 VanDerWaalsContact CB-CE3 3.41Å; F98-W272 HydrophobicContact CB-CG 3.95Å; F98-W272 HydrophobicContact CB-CH2 3.76Å; F98-W272 HydrophobicContact CB-CZ2 3.71Å; F98-W272 HydrophobicContact CB-CZ3 3.62Å; F98-W272 AromaticContact CD1-CD1 3.9Å; F98-W272 HydrophobicContact CD1-CD2 4.31Å; F98-W272 HydrophobicContact CD1-CG 4.12Å; F98-W272 AromaticContact CD1-NE1 3.98Å; F98-W272 HydrophobicContact CG-CD2 4.06Å; F98-W272 AromaticContact CG-CE2 3.85Å; F98-W272 HydrophobicContact CG-CG 4.34Å; F98-W272 HydrophobicContact CG-CZ2 4.24Å; F98-W272 AromaticContact CG-NE1 3.95Å; Y169-W272 WeakPolarHBondContact CA-O 3.41Å; C170-W272 HydrophobicContact CB-CB 4.2Å; C170-W272 PolarHBondContact N-O 3.39Å; C170-W272 PolarHBondContact O-N 3.08Å; S172-W272 PolarHBondContact OG-NE1 3.48Å; N270-W272 HydrophobicContact CB-CH2 4.44Å; N270-W272 HydrophobicContact CB-CZ2 3.62Å; N270-W272 WeakPolarHBondContact ND2-CZ2 3.43Å; N270-W272 PolarHBondContact O-NE1 3.01Å; W272-F274 HydrophobicContact CB-CD2 4.31Å; W272-F274 HydrophobicContact CB-CE2 4.05Å
273Y98.4Very high94.6Very high0 Ų035.4 Ų35.40%017%0.17CC..EExtended strand (participates in β ladder)trans-111.2119.1168-174.7-101.6000110G60 F61 L66 K76 E162 T165 Y169 P275 E279G60-Y273 CarbonylContact C-O 3.47Å; G60-Y273 WeakPolarHBondContact CA-O 3.45Å; F61-Y273 PolarHBondContact N-O 2.77Å; F61-Y273 PolarHBondContact O-N 3.15Å; L66-Y273 HydrophobicContact CD2-CD1 3.9Å; L66-Y273 HydrophobicContact CD2-CG 4.18Å; K76-Y273 HydrophobicContact CD-CD1 4.17Å; K76-Y273 HydrophobicContact CD-CD2 3.91Å; K76-Y273 HydrophobicContact CD-CE1 4.06Å; K76-Y273 HydrophobicContact CD-CE2 3.79Å; K76-Y273 HydrophobicContact CD-CG 4.08Å; K76-Y273 WeakPolarHBondContact CE-OH 3.2Å; K76-Y273 PolarHBondContact NZ-OH 3.04Å; E162-Y273 PolarHBondContact OE2-OH 2.8Å; T165-Y273 WeakPolarHBondContact CB-OH 3.37Å; T165-Y273 PolarHBondContact OG1-OH 3.04Å; Y169-Y273 AromaticContact CD1-CD2 3.96Å; Y169-Y273 HydrophobicContact CD1-CD2 3.96Å; Y169-Y273 AromaticContact CE1-CD2 3.74Å; Y169-Y273 HydrophobicContact CE1-CD2 3.74Å; Y169-Y273 HydrophobicContact CE1-CE2 4.33Å; Y169-Y273 HydrophobicContact CE2-CD2 4.36Å; Y169-Y273 HydrophobicContact CE2-CE2 4.24Å; Y169-Y273 HydrophobicContact CG-CD2 4.36Å; Y169-Y273 AromaticContact CZ-CD2 3.96Å; Y273-P275 HydrophobicContact CD1-CB 4.47Å; Y273-P275 HydrophobicContact CE1-CB 4.15Å; Y273-P275 VanDerWaalsContact O-CD 3.26Å; Y273-P275 WeakPolarHBondContact O-CD 3.25Å; Y273-E279 PolarHBondContact OH-OE1 3.31Å; Y273-E279 PolarHBondContact OH-OE2 2.64Å
274F98.2Very high95.4Very high3 Ų333.6 Ų33.61%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-92.1104.1174.2-79.6-116.9000108.1V5 V59 G60 F98 G167 S168 C170 F234 W272V5-F274 HydrophobicContact CG2-CB 4.19Å; V5-F274 HydrophobicContact CG2-CD1 4.03Å; V5-F274 HydrophobicContact CG2-CG 4.32Å; V59-F274 WeakPolarHBondContact O-CD1 3.37Å; G60-F274 VanDerWaalsContact CA-CD2 3.42Å; G60-F274 VanDerWaalsContact CA-CE2 3.41Å; F98-F274 HydrophobicContact CD1-CE2 4.01Å; F98-F274 AromaticContact CD1-CZ 3.82Å; F98-F274 HydrophobicContact CD1-CZ 3.82Å; F98-F274 HydrophobicContact CE1-CZ 4.14Å; G167-F274 CarbonylContact C-O 3.54Å; G167-F274 WeakPolarHBondContact CA-O 3.39Å; S168-F274 PolarHBondContact N-O 3.13Å; S168-F274 PolarHBondContact O-N 2.94Å; C170-F274 HydrophobicContact CB-CD2 3.53Å; C170-F274 HydrophobicContact CB-CE2 3.37Å; C170-F274 HydrophobicContact CB-CZ 4.42Å; F234-F274 HydrophobicContact CE1-CD1 4.13Å; F234-F274 HydrophobicContact CE1-CD2 4.02Å; F234-F274 HydrophobicContact CE1-CE1 4.03Å; F234-F274 AromaticContact CE1-CE2 3.94Å; F234-F274 HydrophobicContact CE1-CE2 3.94Å; F234-F274 HydrophobicContact CE1-CG 4.13Å; F234-F274 AromaticContact CE1-CZ 3.94Å; F234-F274 HydrophobicContact CE1-CZ 3.94Å; F234-F274 HydrophobicContact CZ-CE1 4.33Å; F234-F274 HydrophobicContact CZ-CZ 4.28Å; W272-F274 HydrophobicContact CB-CD2 4.31Å; W272-F274 HydrophobicContact CB-CE2 4.05Å
275P97.2Very high95.9Very high1 Ų137.5 Ų37.51%0.00618%0.18CC..  trans-66.2151.9179.526.3-32.9000111.8M1 F61 Y273 E279 I283M1-P275 HydrophobicContact CE-CG 3.88Å; F61-P275 HydrophobicContact CE2-CG 4.19Å; F61-P275 HydrophobicContact CZ-CG 4.27Å; Y273-P275 HydrophobicContact CD1-CB 4.47Å; Y273-P275 HydrophobicContact CE1-CB 4.15Å; Y273-P275 VanDerWaalsContact O-CD 3.26Å; Y273-P275 WeakPolarHBondContact O-CD 3.25Å; P275-E279 WeakPolarHBondContact CA-OE2 3.48Å; P275-E279 HydrophobicContact CB-CB 3.74Å; P275-I283 HydrophobicContact CB-CD1 4.25Å; P275-I283 HydrophobicContact CG-CD1 4.48Å
276S96Very high96.2Very high2 Ų237.1 Ų37.11%0.01418%0.176CC..  trans-64.5169.3167.469.10000111.8T165 E278 E279 L280T165-S276 VanDerWaalsContact O-CB 3.3Å; T165-S276 WeakPolarHBondContact O-CB 3.49Å; T165-S276 PolarHBondContact O-OG 3.47Å; S276-E278 PolarHBondContact O-N 3.24Å; S276-E279 PolarHBondContact N-OE2 2.69Å; S276-E279 PolarHBondContact O-N 3.21Å; S276-E279 WeakPolarHBondContact OG-CG 3.17Å; S276-E279 PolarHBondContact OG-N 3.22Å; S276-L280 PolarHBondContact O-N 3.36Å
277K93.4Very high96.3Very high92 Ų9237.8 Ų37.840%0.418%0.18SC..Hα-helixtrans-62.1-34.6175.4-72.6179.7180170.40110.6M1 D3 K281M1-K277 HydrophobicContact CB-CG 4.14Å; D3-K277 IonicContact OD1-NZ 3.05Å; D3-K277 PolarHBondContact OD1-NZ 3.21Å; D3-K277 VanDerWaalsContact OD2-CE 3.31Å; D3-K277 WeakPolarHBondContact OD2-CE 3.46Å; D3-K277 IonicContact OD2-NZ 2.74Å; D3-K277 PolarHBondContact OD2-NZ 3.43Å; K277-K281 WeakPolarHBondContact O-CG 3.19Å; K277-K281 PolarHBondContact O-N 3.31Å
278E94.4Very high95.7Very high116 Ų11642.5 Ų42.554%0.54220%0.195SC..Hα-helixtrans-70.7-49.4177.7-67.363.8-142.400110.9S276 L280 K281 D282S276-E278 PolarHBondContact O-N 3.24Å; E278-L280 VanDerWaalsContact C-N 3.29Å; E278-L280 PolarHBondContact O-N 2.84Å; E278-K281 WeakPolarHBondContact O-CB 3.42Å; E278-K281 PolarHBondContact O-N 2.96Å; E278-K281 VanDerWaalsContact O-N 3.15Å; E278-D282 PolarHBondContact O-N 3.06Å
279E96.2Very high95.8Very high32 Ų3243.5 Ų43.515%0.1520%0.2CC..Hα-helixtrans-58.2-41.2176.3-77.2-179.6117.900111.9K76 T165 Y273 P275 S276 K281 D282 I283K76-E279 IonicContact NZ-OE1 3.39Å; T165-E279 WeakPolarHBondContact CB-OE1 3.41Å; Y273-E279 PolarHBondContact OH-OE1 3.31Å; Y273-E279 PolarHBondContact OH-OE2 2.64Å; P275-E279 WeakPolarHBondContact CA-OE2 3.48Å; P275-E279 HydrophobicContact CB-CB 3.74Å; S276-E279 PolarHBondContact N-OE2 2.69Å; S276-E279 PolarHBondContact O-N 3.21Å; S276-E279 WeakPolarHBondContact OG-CG 3.17Å; S276-E279 PolarHBondContact OG-N 3.22Å; E279-K281 VanDerWaalsContact C-N 3.34Å; E279-K281 PolarHBondContact O-N 3.09Å; E279-D282 PolarHBondContact O-N 3.15Å; E279-I283 VanDerWaalsContact O-CG1 3.24Å; E279-I283 WeakPolarHBondContact O-CG1 3.29Å; E279-I283 PolarHBondContact O-N 3.13Å
280L95.4Very high95.7Very high6 Ų645.7 Ų45.73%0.03121%0.21CC..Hα-helixtrans-62.9-41.1178.3-176.765.8000112.3M1 I33 D34 F61 S276 E278 D282 I283 V284M1-L280 HydrophobicContact CE-CB 3.3Å; M1-L280 HydrophobicContact CE-CD1 4.08Å; M1-L280 HydrophobicContact CE-CD2 3.18Å; M1-L280 HydrophobicContact CE-CG 3.64Å; M1-L280 HydrophobicContact CG-CD2 4.3Å; M1-L280 HydrophobicContact SD-CD2 3.71Å; I33-L280 HydrophobicContact CG2-CD1 3.74Å; I33-L280 HydrophobicContact CG2-CD2 3.95Å; D34-L280 HydrophobicContact CB-CD2 4.47Å; F61-L280 HydrophobicContact CZ-CD1 4.09Å; S276-L280 PolarHBondContact O-N 3.36Å; E278-L280 VanDerWaalsContact C-N 3.29Å; E278-L280 PolarHBondContact O-N 2.84Å; L280-D282 PolarHBondContact O-N 2.79Å; L280-I283 PolarHBondContact O-N 3.09Å; L280-V284 HydrophobicContact CG-CG2 4.47Å; L280-V284 VanDerWaalsContact O-CG2 3.27Å; L280-V284 WeakPolarHBondContact O-CG2 3.29Å; L280-V284 PolarHBondContact O-N 3.24Å
281K95.1Very high95.6Very high124 Ų12447.5 Ų47.554%0.53922%0.218SC..Hα-helixtrans-60.1-38.7176.8-73.3170.6-178.2173.10111.8K277 E278 E279 Q285K277-K281 WeakPolarHBondContact O-CG 3.19Å; K277-K281 PolarHBondContact O-N 3.31Å; E278-K281 WeakPolarHBondContact O-CB 3.42Å; E278-K281 PolarHBondContact O-N 2.96Å; E278-K281 VanDerWaalsContact O-N 3.15Å; E279-K281 VanDerWaalsContact C-N 3.34Å; E279-K281 PolarHBondContact O-N 3.09Å; K281-Q285 WeakPolarHBondContact O-CG 3.45Å; K281-Q285 PolarHBondContact O-N 3.23Å; K281-Q285 PolarHBondContact O-NE2 3.2Å
282D96.7Very high95.4Very high82 Ų8250.2 Ų50.244%0.43923%0.23SC..Hα-helixtrans-67.7-44.8176.1-69.6-19.6000111E278 E279 L280 V284 Q285 Y286E278-D282 PolarHBondContact O-N 3.06Å; E279-D282 PolarHBondContact O-N 3.15Å; L280-D282 PolarHBondContact O-N 2.79Å; D282-V284 VanDerWaalsContact C-N 3.3Å; D282-V284 PolarHBondContact O-N 3.37Å; D282-Q285 WeakPolarHBondContact O-CA 3.48Å; D282-Q285 WeakPolarHBondContact O-CB 3.48Å; D282-Q285 PolarHBondContact O-N 3.18Å; D282-Y286 HydrophobicContact CB-CE2 3.96Å; D282-Y286 WeakPolarHBondContact O-CD2 3.33Å; D282-Y286 VanDerWaalsContact O-CG 3.32Å; D282-Y286 PolarHBondContact O-N 3.05Å
283I97.1Very high95.2Very high6 Ų653.4 Ų53.43%0.03125%0.245CC..Hα-helixtrans-57.5-42.8175.1-66.5167.4000111.2I30 F61 L66 V69 V70 P275 E279 L280 Q285 Y286 V287I30-I283 HydrophobicContact CD1-CG2 3.83Å; I30-I283 HydrophobicContact CG1-CG2 4.25Å; I30-I283 HydrophobicContact CG2-CG2 4.11Å; F61-I283 HydrophobicContact CD2-CD1 4.45Å; F61-I283 HydrophobicContact CE2-CD1 3.89Å; F61-I283 HydrophobicContact CE2-CG2 4.42Å; L66-I283 HydrophobicContact CD1-CD1 4.14Å; V69-I283 HydrophobicContact CB-CG2 4.23Å; V69-I283 HydrophobicContact CG2-CG2 3.81Å; V70-I283 HydrophobicContact CG1-CD1 4.28Å; V70-I283 HydrophobicContact CG1-CG1 3.89Å; P275-I283 HydrophobicContact CB-CD1 4.25Å; P275-I283 HydrophobicContact CG-CD1 4.48Å; E279-I283 VanDerWaalsContact O-CG1 3.24Å; E279-I283 WeakPolarHBondContact O-CG1 3.29Å; E279-I283 PolarHBondContact O-N 3.13Å; L280-I283 PolarHBondContact O-N 3.09Å; I283-Q285 PolarHBondContact O-N 2.66Å; I283-Y286 PolarHBondContact O-N 3.11Å; I283-Y286 VanDerWaalsContact O-N 3.07Å; I283-V287 PolarHBondContact O-N 3.41Å
284V96.4Very high95Very high13 Ų1356.9 Ų56.98%0.07926%0.261CS..Hα-helixtrans-58.2-33.4173.9172.20000111.4I30 D34 L280 D282 K288I30-V284 HydrophobicContact CG2-CB 4.27Å; I30-V284 HydrophobicContact CG2-CG2 3.62Å; D34-V284 HydrophobicContact CB-CG2 3.8Å; L280-V284 HydrophobicContact CG-CG2 4.47Å; L280-V284 VanDerWaalsContact O-CG2 3.27Å; L280-V284 WeakPolarHBondContact O-CG2 3.29Å; L280-V284 PolarHBondContact O-N 3.24Å; D282-V284 VanDerWaalsContact C-N 3.3Å; D282-V284 PolarHBondContact O-N 3.37Å; V284-K288 WeakPolarHBondContact O-CG 3.26Å
285Q96.3Very high94.7Very high100 Ų10060.8 Ų60.847%0.46728%0.279SS..Hα-helixtrans-75.5-33.9174.7-56.5-39.8-64.700113K281 D282 I283 V287 K288K281-Q285 WeakPolarHBondContact O-CG 3.45Å; K281-Q285 PolarHBondContact O-N 3.23Å; K281-Q285 PolarHBondContact O-NE2 3.2Å; D282-Q285 WeakPolarHBondContact O-CA 3.48Å; D282-Q285 WeakPolarHBondContact O-CB 3.48Å; D282-Q285 PolarHBondContact O-N 3.18Å; I283-Q285 PolarHBondContact O-N 2.66Å; Q285-V287 VanDerWaalsContact C-N 3.28Å; Q285-V287 PolarHBondContact O-N 3.46Å; Q285-K288 PolarHBondContact O-N 2.57Å
286Y96.2Very high94.6Very high96 Ų9665.4 Ų65.438%0.37630%0.299SS..Hα-helixtrans-69.1-25.7-177.6-57.8-33.8000113.7V70 P71 L74 D282 I283V70-Y286 HydrophobicContact CG1-CD2 4.47Å; P71-Y286 HydrophobicContact CG-CD1 4.05Å; P71-Y286 HydrophobicContact CG-CD2 4.21Å; P71-Y286 HydrophobicContact CG-CE1 4.09Å; P71-Y286 HydrophobicContact CG-CE2 4.24Å; P71-Y286 HydrophobicContact CG-CG 4.13Å; L74-Y286 HydrophobicContact CD1-CE2 3.82Å; L74-Y286 WeakPolarHBondContact CD1-OH 3.33Å; D282-Y286 HydrophobicContact CB-CE2 3.96Å; D282-Y286 WeakPolarHBondContact O-CD2 3.33Å; D282-Y286 VanDerWaalsContact O-CG 3.32Å; D282-Y286 PolarHBondContact O-N 3.05Å; I283-Y286 PolarHBondContact O-N 3.11Å; I283-Y286 VanDerWaalsContact O-N 3.07Å
287V93.6Very high94.4Very high22 Ų2270.7 Ų70.713%0.13332%0.323CS..THydrogen-bonded Turntrans-94.41.3179.8-58.50000114.2P26 K27 I30 V69 I283 Q285P26-V287 HydrophobicContact CB-CG1 4.21Å; P26-V287 HydrophobicContact CG-CG1 4.36Å; K27-V287 HydrophobicContact CB-CB 4.49Å; K27-V287 HydrophobicContact CB-CG2 4.49Å; I30-V287 HydrophobicContact CB-CG2 3.98Å; I30-V287 HydrophobicContact CG1-CG1 4.18Å; I30-V287 HydrophobicContact CG1-CG2 4.35Å; I30-V287 HydrophobicContact CG2-CG2 3.84Å; V69-V287 HydrophobicContact CB-CG1 3.92Å; V69-V287 HydrophobicContact CG1-CG1 4.21Å; I283-V287 PolarHBondContact O-N 3.41Å; Q285-V287 VanDerWaalsContact C-N 3.28Å; Q285-V287 PolarHBondContact O-N 3.46Å
288K82.5Confident94.5Very high159 Ų15968.7 Ų68.769%0.69132%0.316SS*.  trans-730-177.2-88.8177.5-174.8179.70113.4K27 V284 Q285K27-K288 PolarHBondContact NZ-O 3.45Å; V284-K288 WeakPolarHBondContact O-CG 3.26Å; Q285-K288 PolarHBondContact O-N 2.57Å

Retrieved 288 of 288 residues in 137.3 ms (Link to these results)

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