A0A3Q0KUB8_SCHMA Loading...

Putative 2,3-cyclic-nucleotide 2-phosphodiesterase

AlphaFold DB , UniProt , Accession A0A3Q0KUB8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 574 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
1M46.3Very low83Confident193 Ų19353.5 Ų53.595%0.95128%0.279SS*.  0109.50-64-176.9-158.700105.2T3M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 HydrophobicContact CB-CG2 4.37Å; M1-T3 PolarHBondContact O-N 2.87Å; M1-T3 VanDerWaalsContact O-N 3.1Å
2D51.9Low84.3Confident148 Ų14849.2 Ų49.279%0.79126%0.256SS*.  trans-69.699.3164.8-101.3-22.5000106
3T59Low85.4Confident70 Ų7045.4 Ų45.443%0.42924%0.237SC..  trans-90.4102.2171.545.50000107.6M1 L268M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 HydrophobicContact CB-CG2 4.37Å; M1-T3 PolarHBondContact O-N 2.87Å; M1-T3 VanDerWaalsContact O-N 3.1Å; T3-L268 HydrophobicContact CG2-CD1 4.16Å
4D76.9Confident86.2Confident50 Ų5042.3 Ų42.327%0.26722%0.221SC..EExtended strand (participates in β ladder)trans-69.4130169.4-66.9-39.6000108.6Y260D4-Y260 PolarHBondContact O-N 3.01Å
5I91.4Very high86.9Confident74 Ų7439.6 Ų39.638%0.37921%0.206SC..EExtended strand (participates in β ladder)trans-99.6112.4172.5-57.7179.5000107.1R257I5-R257 HydrophobicContact CG2-CB 3.92Å
6L94.9Very high87.4Confident2 Ų238.3 Ų38.31%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-88.4124.617317368.3000109.1I8 I45 H129 L132 I134 L180 V258L6-I8 HydrophobicContact CD2-CD1 4.01Å; L6-I8 HydrophobicContact CD2-CG1 4.21Å; L6-I8 HydrophobicContact CG-CD1 4.4Å; L6-I8 HydrophobicContact CG-CG1 4.07Å; L6-I45 HydrophobicContact CD1-CD1 3.71Å; L6-I45 HydrophobicContact CD1-CG1 4.3Å; L6-H129 HydrophobicContact CD1-CB 4.26Å; L6-H129 VanDerWaalsContact CD1-CD2 3.42Å; L6-H129 WeakPolarHBondContact CD1-CD2 3.16Å; L6-L132 HydrophobicContact CB-CD1 4.25Å; L6-I134 HydrophobicContact CD1-CD1 4.07Å; L6-I134 HydrophobicContact CD2-CD1 3.58Å; L6-I134 HydrophobicContact CD2-CG1 4.35Å; L6-I134 HydrophobicContact CG-CD1 4.48Å; L6-L180 HydrophobicContact CD2-CD1 3.81Å; L6-V258 HydrophobicContact CB-CB 4.13Å; L6-V258 PolarHBondContact N-O 3.07Å; L6-V258 PolarHBondContact O-N 3.3Å
7H97.3Very high88Confident49 Ų4936.1 Ų36.123%0.22719%0.188CC..EExtended strand (participates in β ladder)trans-97.2124.5177.1-66.3-85.3000110.7S44 I45 H255 L256H7-S44 VanDerWaalsContact CB-OG 3.28Å; H7-S44 WeakPolarHBondContact CB-OG 3.24Å; H7-S44 WeakPolarHBondContact O-CA 3.46Å; H7-I45 PolarHBondContact O-N 2.82Å; H7-H255 AromaticContact CG-NE2 3.68Å; H7-H255 AromaticContact ND1-CE1 3.5Å; H7-H255 PolarHBondContact ND1-CE1 2.94Å; H7-H255 AromaticContact ND1-NE2 3Å; H7-H255 PolarHBondContact ND1-NE2 3.04Å; H7-L256 WeakPolarHBondContact CA-O 3.34Å
8I98.5Very high88.3Confident1 Ų135.4 Ų35.41%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-124128.5176.6-52.2178.3000108.7L6 I45 L47 I182 L204 L206 L256 V258L6-I8 HydrophobicContact CD2-CD1 4.01Å; L6-I8 HydrophobicContact CD2-CG1 4.21Å; L6-I8 HydrophobicContact CG-CD1 4.4Å; L6-I8 HydrophobicContact CG-CG1 4.07Å; I8-I45 CarbonylContact C-O 3.59Å; I8-I45 VanDerWaalsContact CA-O 3.31Å; I8-I45 WeakPolarHBondContact CA-O 3.07Å; I8-L47 HydrophobicContact CG2-CD1 3.81Å; I8-L47 HydrophobicContact CG2-CG 4.19Å; I8-I182 HydrophobicContact CD1-CD1 3.52Å; I8-L204 HydrophobicContact CD1-CD2 4.11Å; I8-L206 HydrophobicContact CG2-CD1 4.21Å; I8-L256 HydrophobicContact CB-CB 4.25Å; I8-L256 PolarHBondContact N-O 3.14Å; I8-L256 PolarHBondContact O-N 3.26Å; I8-V258 HydrophobicContact CD1-CG2 3.96Å; I8-V258 HydrophobicContact CG1-CG2 4.42Å
9L98.9Very high88.6Confident0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-104.4126.2170.6-50.3-177.8000108L35 H38 A40 I45 V46 L47 F253 S254 H255L9-L35 HydrophobicContact CB-CD2 3.97Å; L9-L35 HydrophobicContact CD1-CD2 3.72Å; L9-L35 HydrophobicContact CG-CD2 4.45Å; L9-H38 HydrophobicContact CD1-CB 3.96Å; L9-H38 HydrophobicContact CD2-CB 3.81Å; L9-A40 HydrophobicContact CD1-CB 3.98Å; L9-I45 PolarHBondContact N-O 3.5Å; L9-V46 HydrophobicContact CB-CG2 4.29Å; L9-V46 HydrophobicContact CD1-CG2 4.18Å; L9-V46 CarbonylContact O-C 3.57Å; L9-V46 WeakPolarHBondContact O-CA 3.08Å; L9-L47 PolarHBondContact O-N 2.92Å; L9-F253 HydrophobicContact CB-CD2 4.49Å; L9-F253 HydrophobicContact CD2-CE2 4.07Å; L9-S254 CarbonylContact C-O 3.54Å; L9-S254 VanDerWaalsContact CA-O 3.29Å; L9-S254 WeakPolarHBondContact CA-O 3.35Å; L9-H255 HydrophobicContact CD2-CB 3.83Å; L9-H255 WeakPolarHBondContact CD2-CD2 3.27Å
10H98.9Very high88.7Confident0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-127.9138-177.9172.8-104000112.1L47 S49 L206 G207 S246 F253 S254H10-L47 WeakPolarHBondContact CA-O 3.13Å; H10-L47 PolarHBondContact CD2-O 3.39Å; H10-S49 WeakPolarHBondContact NE2-CB 3.43Å; H10-S49 PolarHBondContact NE2-OG 3.42Å; H10-L206 HydrophobicContact CB-CD1 4.15Å; H10-L206 HydrophobicContact CB-CD2 4.27Å; H10-G207 PolarHBondContact CE1-O 2.88Å; H10-S246 PolarHBondContact ND1-OG 2.92Å; H10-S246 VanDerWaalsContact O-CB 3.3Å; H10-S246 WeakPolarHBondContact O-CB 3.4Å; H10-S246 PolarHBondContact O-OG 2.85Å; H10-F253 WeakPolarHBondContact O-CA 3.48Å; H10-F253 VanDerWaalsContact O-CB 3.29Å; H10-F253 WeakPolarHBondContact O-CB 2.92Å; H10-S254 PolarHBondContact N-O 3.06Å; H10-S254 PolarHBondContact O-N 3.34Å
11F98.8Very high88.6Confident1 Ų139.9 Ų39.90%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-150167.1172.567-78.6000112V14 F31 L35 V46 L47 F48 S49 M71 M74 I76 F253F11-V14 HydrophobicContact CD2-CG1 3.83Å; F11-V14 HydrophobicContact CD2-CG2 4.29Å; F11-V14 HydrophobicContact CE2-CG1 4.38Å; F11-V14 HydrophobicContact CE2-CG2 4.09Å; F11-F31 HydrophobicContact CB-CE1 4.41Å; F11-F31 HydrophobicContact CB-CZ 3.67Å; F11-F31 HydrophobicContact CD1-CE1 4.1Å; F11-F31 HydrophobicContact CD1-CZ 4.17Å; F11-F31 HydrophobicContact CD2-CE1 4.01Å; F11-F31 AromaticContact CD2-CZ 3.93Å; F11-F31 HydrophobicContact CD2-CZ 3.93Å; F11-F31 HydrophobicContact CE1-CE1 4.35Å; F11-F31 HydrophobicContact CE2-CE1 4.25Å; F11-F31 AromaticContact CG-CE1 3.93Å; F11-F31 HydrophobicContact CG-CE1 3.93Å; F11-F31 AromaticContact CG-CZ 3.68Å; F11-F31 HydrophobicContact CG-CZ 3.68Å; F11-F31 HydrophobicContact CZ-CE1 4.42Å; F11-L35 HydrophobicContact CE1-CD1 4.46Å; F11-V46 HydrophobicContact CD1-CG1 4.32Å; F11-V46 HydrophobicContact CE1-CG1 3.66Å; F11-L47 PolarHBondContact N-O 3.44Å; F11-F48 AromaticContact CD2-CD2 3.4Å; F11-F48 HydrophobicContact CD2-CD2 3.4Å; F11-F48 VanDerWaalsContact CD2-CD2 3.4Å; F11-F48 AromaticContact CD2-CE2 3.77Å; F11-F48 HydrophobicContact CD2-CE2 3.77Å; F11-F48 HydrophobicContact CD2-CG 4.43Å; F11-F48 HydrophobicContact CE1-CB 4.27Å; F11-F48 HydrophobicContact CE1-CD2 4.42Å; F11-F48 HydrophobicContact CE2-CB 4.37Å; F11-F48 AromaticContact CE2-CD2 3.25Å; F11-F48 HydrophobicContact CE2-CD2 3.25Å; F11-F48 AromaticContact CE2-CE2 3.7Å; F11-F48 HydrophobicContact CE2-CE2 3.7Å; F11-F48 AromaticContact CE2-CG 3.94Å; F11-F48 HydrophobicContact CE2-CG 3.94Å; F11-F48 HydrophobicContact CG-CD2 4.07Å; F11-F48 HydrophobicContact CZ-CB 4.05Å; F11-F48 AromaticContact CZ-CD2 3.82Å; F11-F48 HydrophobicContact CZ-CD2 3.82Å; F11-F48 HydrophobicContact CZ-CG 4.08Å; F11-F48 WeakPolarHBondContact O-CA 3.46Å; F11-F48 VanDerWaalsContact O-CD2 3.29Å; F11-F48 WeakPolarHBondContact O-CD2 3.34Å; F11-S49 PolarHBondContact O-N 2.85Å; F11-M71 HydrophobicContact CE2-CE 3.92Å; F11-M71 HydrophobicContact CE2-SD 4.46Å; F11-M71 HydrophobicContact CZ-CE 4.11Å; F11-M74 HydrophobicContact CE2-SD 4.33Å; F11-M74 HydrophobicContact CZ-SD 4.09Å; F11-I76 HydrophobicContact CE1-CG1 4.24Å; F11-I76 HydrophobicContact CZ-CD1 3.94Å; F11-I76 HydrophobicContact CZ-CG1 3.99Å; F11-F253 HydrophobicContact CB-CB 3.94Å
12N98.7Very high90.5Very high2 Ų234.3 Ų34.31%0.01117%0.172CC..  trans-156.5161.8-175.861.3-81.7000109.9V14 G207 S246 G247N12-V14 WeakPolarHBondContact O-CG1 3.17Å; N12-G207 PolarHBondContact OD1-O 2.91Å; N12-S246 WeakPolarHBondContact OD1-CA 3.26Å; N12-S246 WeakPolarHBondContact OD1-CB 3.3Å; N12-S246 PolarHBondContact OD1-N 3Å; N12-G247 PolarHBondContact ND2-O 3.31Å
13D98.1Very high92.5Very high0 Ų032 Ų320%016%0.157CC..  trans5664.7166-65-108.4000114.4Y15 G50 D51 H186 G208 H209 H211 S248 D249D13-Y15 HydrophobicContact CB-CE2 3.93Å; D13-Y15 PolarHBondContact OD1-OH 3.39Å; D13-G50 PolarHBondContact N-O 3.03Å; D13-D51 CarbonylContact C-O 3.57Å; D13-D51 VanDerWaalsContact CA-O 3.26Å; D13-D51 WeakPolarHBondContact CA-O 3.47Å; D13-D51 HydrophobicContact CB-CB 4.48Å; D13-H186 IonicContact OD2-CE1 3.51Å; D13-G208 WeakPolarHBondContact OD2-CA 3.3Å; D13-H209 PolarHBondContact OD2-N 3.33Å; D13-H211 IonicContact OD1-CD2 3.35Å; D13-H211 PolarHBondContact OD1-CD2 3.05Å; D13-H211 VanDerWaalsContact OD1-CD2 3.28Å; D13-H211 IonicContact OD1-NE2 3.68Å; D13-H211 PolarHBondContact OD1-NE2 3.15Å; D13-S248 CarbonylContact O-C 3.53Å; D13-S248 WeakPolarHBondContact O-CA 3.43Å; D13-S248 WeakPolarHBondContact O-CB 3.46Å; D13-D249 PolarHBondContact O-N 2.8Å
14V97.8Very high94.2Very high2 Ų229.8 Ų29.81%0.01214%0.143CC..  trans-119.189.8-170.5-66.50000113.3F11 N12 F48 D51 C52 M71 Y250F11-V14 HydrophobicContact CD2-CG1 3.83Å; F11-V14 HydrophobicContact CD2-CG2 4.29Å; F11-V14 HydrophobicContact CE2-CG1 4.38Å; F11-V14 HydrophobicContact CE2-CG2 4.09Å; N12-V14 WeakPolarHBondContact O-CG1 3.17Å; V14-F48 HydrophobicContact CG2-CE2 3.78Å; V14-F48 HydrophobicContact CG2-CZ 3.94Å; V14-D51 PolarHBondContact N-O 2.75Å; V14-C52 HydrophobicContact CG2-CB 3.96Å; V14-M71 HydrophobicContact CG2-CE 4.34Å; V14-M71 HydrophobicContact CG2-SD 4.31Å; V14-Y250 HydrophobicContact CB-CD1 3.91Å; V14-Y250 HydrophobicContact CB-CD2 3.96Å; V14-Y250 HydrophobicContact CB-CE1 3.54Å; V14-Y250 HydrophobicContact CB-CE2 3.6Å; V14-Y250 HydrophobicContact CB-CG 4.12Å; V14-Y250 HydrophobicContact CG1-CD1 3.86Å; V14-Y250 HydrophobicContact CG1-CD2 4.4Å; V14-Y250 HydrophobicContact CG1-CE1 3.93Å; V14-Y250 HydrophobicContact CG1-CE2 4.47Å; V14-Y250 HydrophobicContact CG1-CG 4.12Å; V14-Y250 HydrophobicContact CG2-CE1 3.76Å; V14-Y250 HydrophobicContact CG2-CE2 4.34Å; V14-Y250 WeakPolarHBondContact CG2-OH 3.18Å; V14-Y250 PolarHBondContact O-OH 3.27Å
15Y96.3Very high95.1Very high2 Ų228.2 Ų28.21%0.00814%0.136CC..  trans-100.1-46.6-164.4-44.9-69.1000114.4D13 D51 S54 P55 S56 H211 D249 R352D13-Y15 HydrophobicContact CB-CE2 3.93Å; D13-Y15 PolarHBondContact OD1-OH 3.39Å; Y15-D51 HydrophobicContact CE1-CB 3.68Å; Y15-D51 PolarHBondContact OH-OD2 3.4Å; Y15-S54 VanDerWaalsContact CD1-C 3.48Å; Y15-S54 WeakPolarHBondContact CD1-O 3.24Å; Y15-S54 WeakPolarHBondContact CE1-O 3.33Å; Y15-P55 VanDerWaalsContact CB-O 3.25Å; Y15-P55 WeakPolarHBondContact CB-O 3.25Å; Y15-P55 VanDerWaalsContact CD1-CD 3.43Å; Y15-P55 VanDerWaalsContact CE1-CD 3.48Å; Y15-S56 WeakPolarHBondContact O-CB 3.42Å; Y15-H211 AromaticContact CE2-CE1 3.9Å; Y15-H211 PolarHBondContact OH-NE2 3.21Å; Y15-D249 WeakPolarHBondContact CA-OD1 3.39Å; Y15-D249 VanDerWaalsContact CB-OD1 3.26Å; Y15-D249 WeakPolarHBondContact CB-OD1 3.45Å; Y15-D249 WeakPolarHBondContact CD2-OD1 3.4Å; Y15-D249 PolarHBondContact N-OD1 3.28Å; Y15-R352 VanDerWaalsContact CE2-NH2 3.32Å; Y15-R352 PolarHBondContact OH-NH2 3.44Å
16N95.2Very high95.3Very high18 Ų1824.8 Ų24.810%0.09612%0.118CC..  trans-95.4108-176.1-63.1-72.3000110.1D249 Y250N16-D249 PolarHBondContact N-OD1 2.9Å; N16-D249 PolarHBondContact ND2-OD1 3.33Å; N16-D249 PolarHBondContact ND2-OD2 3.16Å; N16-Y250 WeakPolarHBondContact O-CD2 3.4Å; N16-Y250 WeakPolarHBondContact O-CE2 3.44Å
17V96.4Very high95.4Very high1 Ų124.8 Ų24.81%0.00612%0.118CC..  trans-77.3-23.2-174.1-640000113.4A28 I58 I67 I70 Y250 V291V17-A28 HydrophobicContact CB-CB 4.13Å; V17-A28 HydrophobicContact CG1-CB 4.45Å; V17-A28 PolarHBondContact O-N 2.74Å; V17-I58 HydrophobicContact CG2-CD1 4.28Å; V17-I67 HydrophobicContact CG1-CD1 3.65Å; V17-I70 HydrophobicContact CB-CD1 4.09Å; V17-I70 HydrophobicContact CG1-CD1 3.85Å; V17-I70 HydrophobicContact CG2-CD1 4.24Å; V17-Y250 HydrophobicContact CG1-CE2 4.22Å; V17-V291 HydrophobicContact CB-CG2 4.2Å; V17-V291 HydrophobicContact CG2-CG1 4.27Å; V17-V291 HydrophobicContact CG2-CG2 4.31Å
18E94.1Very high95.5Very high25 Ų2522.4 Ų22.412%0.11711%0.108CC..SBendtrans-76.4160.5174.361.8-89.6-156.600113.6I58 V291 R365E18-I58 WeakPolarHBondContact OE2-CD1 3.35Å; E18-V291 HydrophobicContact CB-CG1 4.45Å; E18-R365 IonicContact OE1-NH1 3.96Å
19E93.8Very high95.5Very high68 Ų6822.5 Ų22.532%0.31811%0.108SC..PPolyproline II helixtrans-68.7145.7171.9-60.1-179.8-18000111.4V25 R30E19-V25 CarbonylContact C-O 3.57Å; E19-V25 WeakPolarHBondContact CA-O 3.34Å; E19-R30 VanDerWaalsContact CD-NE 3.34Å; E19-R30 IonicContact OE1-CZ 2.73Å; E19-R30 IonicContact OE1-NE 3.51Å; E19-R30 PolarHBondContact OE1-NE 3.31Å; E19-R30 IonicContact OE1-NH2 3.73Å; E19-R30 PolarHBondContact OE1-NH2 2.83Å; E19-R30 IonicContact OE2-NE 2.8Å; E19-R30 IonicContact OE2-NH2 3.76Å
20Q90.8Very high95.5Very high22 Ų2224 Ų2410%0.10311%0.114CC..PPolyproline II helixtrans-91159.4168.657.517838.400111.5Q22 P24 V25 A26Q20-Q22 VanDerWaalsContact C-N 3.3Å; Q20-Q22 WeakPolarHBondContact CG-O 3.46Å; Q20-Q22 PolarHBondContact NE2-O 3.37Å; Q20-Q22 PolarHBondContact O-N 3.49Å; Q20-P24 VanDerWaalsContact CD-O 3.23Å; Q20-P24 VanDerWaalsContact CG-O 3.28Å; Q20-P24 WeakPolarHBondContact CG-O 3.16Å; Q20-P24 PolarHBondContact NE2-O 3.43Å; Q20-V25 WeakPolarHBondContact CG-O 3.37Å; Q20-V25 PolarHBondContact N-O 3.26Å; Q20-A26 HydrophobicContact CG-CB 4.41Å
21K85.8Confident95.5Very high110 Ų11024 Ų2448%0.47811%0.114SC..SBendtrans-72.8-19-175.4-65.1178.6-172.3159.40114.6T363 D366K21-T363 PolarHBondContact NZ-OG1 3.12Å; K21-D366 IonicContact NZ-OD1 3.22Å; K21-D366 IonicContact NZ-OD2 3.78Å; K21-D366 PolarHBondContact NZ-OD2 2.96Å
22Q87.6Confident95.5Very high76 Ų7624 Ų2436%0.35511%0.114SC..SBendtrans-119.6151-172.3-62.5-175.44.100109.8Q20 P24 V25 I356Q20-Q22 VanDerWaalsContact C-N 3.3Å; Q20-Q22 WeakPolarHBondContact CG-O 3.46Å; Q20-Q22 PolarHBondContact NE2-O 3.37Å; Q20-Q22 PolarHBondContact O-N 3.49Å; Q22-P24 CarbonylContact O-C 3.46Å; Q22-P24 VanDerWaalsContact O-O 3.06Å; Q22-V25 PolarHBondContact O-N 2.88Å; Q22-I356 PolarHBondContact OE1-O 3.12Å
23E92.7Very high95.5Very high100 Ų10024.9 Ų24.947%0.46712%0.119SC..SBendtrans-66.7143.1174.8-69.5-69.8-170.700111.9V25 D278 S279E23-V25 PolarHBondContact OE2-N 2.97Å; E23-D278 WeakPolarHBondContact OE2-CA 3.45Å; E23-D278 WeakPolarHBondContact OE2-CB 3.44Å; E23-S279 WeakPolarHBondContact OE1-CB 3.38Å; E23-S279 PolarHBondContact OE1-N 2.6Å; E23-S279 VanDerWaalsContact OE1-N 3.09Å; E23-S279 PolarHBondContact OE1-OG 3.47Å; E23-S279 PolarHBondContact OE2-N 2.67Å
24P94.8Very high95.5Very high22 Ų2224.9 Ų24.914%0.14312%0.119CC..SBendcis-66.8127.6-8.228.4-34.6000111.6Q20 Q22 A26 Q251 L276 V277Q20-P24 VanDerWaalsContact CD-O 3.23Å; Q20-P24 VanDerWaalsContact CG-O 3.28Å; Q20-P24 WeakPolarHBondContact CG-O 3.16Å; Q20-P24 PolarHBondContact NE2-O 3.43Å; Q22-P24 CarbonylContact O-C 3.46Å; Q22-P24 VanDerWaalsContact O-O 3.06Å; P24-A26 PolarHBondContact O-N 3.06Å; P24-A26 VanDerWaalsContact O-N 3.13Å; P24-Q251 HydrophobicContact CG-CB 3.85Å; P24-Q251 HydrophobicContact CG-CG 3.98Å; P24-L276 HydrophobicContact CB-CD1 3.7Å; P24-L276 HydrophobicContact CB-CG 4Å; P24-L276 HydrophobicContact CG-CD1 3.8Å; P24-V277 WeakPolarHBondContact CB-O 3.34Å
25V95.7Very high95.5Very high18 Ų1824.8 Ų24.811%0.10912%0.119CC..  trans-63.6-20.6-176.2-66.10000113.4E19 Q20 Q22 E23E19-V25 CarbonylContact C-O 3.57Å; E19-V25 WeakPolarHBondContact CA-O 3.34Å; Q20-V25 WeakPolarHBondContact CG-O 3.37Å; Q20-V25 PolarHBondContact N-O 3.26Å; Q22-V25 PolarHBondContact O-N 2.88Å; E23-V25 PolarHBondContact OE2-N 2.97Å
26A96.7Very high95.6Very high1 Ų128 Ų281%0.00813%0.133CC..  trans55.3-141.6172.200000113.1Q20 P24 D249 Y250 Q251 V277Q20-A26 HydrophobicContact CG-CB 4.41Å; P24-A26 PolarHBondContact O-N 3.06Å; P24-A26 VanDerWaalsContact O-N 3.13Å; A26-D249 WeakPolarHBondContact CB-O 3.45Å; A26-Y250 WeakPolarHBondContact CB-O 3.28Å; A26-Q251 HydrophobicContact CB-CG 3.94Å; A26-V277 WeakPolarHBondContact CA-O 3.17Å; A26-V277 PolarHBondContact N-O 3.45Å
27G97.2Very high95.8Very high2 Ų233.4 Ų33.42%0.02116%0.158CC..  trans85143179.400000113.6A29 R30 F31G27-A29 PolarHBondContact O-N 2.9Å; G27-A29 VanDerWaalsContact O-N 3.11Å; G27-R30 PolarHBondContact O-N 2.9Å; G27-F31 VanDerWaalsContact O-CB 3.31Å; G27-F31 WeakPolarHBondContact O-CB 3.38Å; G27-F31 PolarHBondContact O-N 3.4Å
28A98.5Very high95.9Very high0 Ų034.7 Ų34.70%016%0.163CC..Hα-helixtrans-59-31.7-171.700000113.4V17 T32 I70 M74 Y250 V287 V291V17-A28 HydrophobicContact CB-CB 4.13Å; V17-A28 HydrophobicContact CG1-CB 4.45Å; V17-A28 PolarHBondContact O-N 2.74Å; A28-T32 WeakPolarHBondContact O-CB 3.25Å; A28-T32 PolarHBondContact O-N 2.9Å; A28-T32 PolarHBondContact O-OG1 3.46Å; A28-I70 HydrophobicContact CB-CG2 3.7Å; A28-M74 HydrophobicContact CB-CE 3.81Å; A28-Y250 HydrophobicContact CB-CD1 4.36Å; A28-Y250 HydrophobicContact CB-CE1 4.03Å; A28-Y250 HydrophobicContact CB-CE2 4.33Å; A28-V287 HydrophobicContact CB-CG1 4.04Å; A28-V291 HydrophobicContact CB-CG2 4.38Å
29A98.6Very high96Very high2 Ų234.1 Ų34.12%0.01716%0.164CC..Hα-helixtrans-69.9-48-178.700000112.7G27 T32 T33 P283 D284 V287 Q288G27-A29 PolarHBondContact O-N 2.9Å; G27-A29 VanDerWaalsContact O-N 3.11Å; A29-T32 PolarHBondContact O-N 2.98Å; A29-T33 PolarHBondContact O-N 3.43Å; A29-T33 PolarHBondContact O-OG1 3.32Å; A29-P283 HydrophobicContact CB-CB 3.87Å; A29-D284 WeakPolarHBondContact O-CB 3.21Å; A29-D284 PolarHBondContact O-N 3.22Å; A29-V287 HydrophobicContact CB-CB 4.27Å; A29-V287 HydrophobicContact CB-CG1 4.08Å; A29-Q288 HydrophobicContact CB-CB 4.04Å; A29-Q288 VanDerWaalsContact CB-OE1 3.24Å
30R98.6Very high96.2Very high33 Ų3331 Ų3113%0.12515%0.151CC..Hα-helixtrans-68.3-40.2176.4-64.7-172.5-175.8-105.33.4111.2E19 G27 T32 T33 A34 V277 S279 W281 P283E19-R30 VanDerWaalsContact CD-NE 3.34Å; E19-R30 IonicContact OE1-CZ 2.73Å; E19-R30 IonicContact OE1-NE 3.51Å; E19-R30 PolarHBondContact OE1-NE 3.31Å; E19-R30 IonicContact OE1-NH2 3.73Å; E19-R30 PolarHBondContact OE1-NH2 2.83Å; E19-R30 IonicContact OE2-NE 2.8Å; E19-R30 IonicContact OE2-NH2 3.76Å; G27-R30 PolarHBondContact O-N 2.9Å; R30-T32 VanDerWaalsContact C-N 3.29Å; R30-T32 PolarHBondContact O-N 2.96Å; R30-T33 WeakPolarHBondContact O-CB 3.49Å; R30-T33 PolarHBondContact O-N 3.14Å; R30-T33 VanDerWaalsContact O-N 3.12Å; R30-A34 PolarHBondContact O-N 3.39Å; R30-V277 HydrophobicContact CB-CG1 3.67Å; R30-S279 PolarHBondContact NH1-O 2.88Å; R30-W281 HydrophobicContact CB-CB 4.09Å; R30-W281 VanDerWaalsContact CD-O 3.29Å; R30-W281 WeakPolarHBondContact CD-O 3.45Å; R30-W281 VanDerWaalsContact CG-O 3.26Å; R30-W281 WeakPolarHBondContact CG-O 3.5Å; R30-W281 PolarHBondContact NH1-O 3.44Å; R30-P283 HydrophobicContact CG-CB 4.35Å; R30-P283 HydrophobicContact CG-CG 4.03Å
31F98.8Very high96.5Very high0 Ų032.4 Ų32.40%017%0.17CC..Hα-helixtrans-56.4-44.3174.9-167.2-89.9000112F11 G27 T33 A34 L35 M74 Y250 F253 V277F11-F31 HydrophobicContact CB-CE1 4.41Å; F11-F31 HydrophobicContact CB-CZ 3.67Å; F11-F31 HydrophobicContact CD1-CE1 4.1Å; F11-F31 HydrophobicContact CD1-CZ 4.17Å; F11-F31 HydrophobicContact CD2-CE1 4.01Å; F11-F31 AromaticContact CD2-CZ 3.93Å; F11-F31 HydrophobicContact CD2-CZ 3.93Å; F11-F31 HydrophobicContact CE1-CE1 4.35Å; F11-F31 HydrophobicContact CE2-CE1 4.25Å; F11-F31 AromaticContact CG-CE1 3.93Å; F11-F31 HydrophobicContact CG-CE1 3.93Å; F11-F31 AromaticContact CG-CZ 3.68Å; F11-F31 HydrophobicContact CG-CZ 3.68Å; F11-F31 HydrophobicContact CZ-CE1 4.42Å; G27-F31 VanDerWaalsContact O-CB 3.31Å; G27-F31 WeakPolarHBondContact O-CB 3.38Å; G27-F31 PolarHBondContact O-N 3.4Å; F31-T33 PolarHBondContact O-N 2.97Å; F31-A34 PolarHBondContact O-N 3.02Å; F31-L35 HydrophobicContact CD1-CD1 3.74Å; F31-L35 HydrophobicContact CD1-CG 4.02Å; F31-L35 HydrophobicContact CE1-CD1 3.62Å; F31-L35 HydrophobicContact CE1-CD2 4.32Å; F31-L35 HydrophobicContact CE1-CG 3.92Å; F31-L35 WeakPolarHBondContact O-CG 3.39Å; F31-L35 PolarHBondContact O-N 2.73Å; F31-M74 HydrophobicContact CD1-CE 4.37Å; F31-M74 HydrophobicContact CD1-SD 4.36Å; F31-Y250 HydrophobicContact CB-CD1 4.01Å; F31-Y250 HydrophobicContact CB-CG 4.43Å; F31-Y250 AromaticContact CD1-CD1 3.87Å; F31-Y250 HydrophobicContact CD1-CD1 3.87Å; F31-Y250 HydrophobicContact CD2-CD1 4.05Å; F31-Y250 HydrophobicContact CD2-CG 4.37Å; F31-Y250 VanDerWaalsContact CD2-O 3.28Å; F31-Y250 WeakPolarHBondContact CD2-O 3.34Å; F31-Y250 HydrophobicContact CE1-CD1 4.28Å; F31-Y250 HydrophobicContact CE2-CD1 4.45Å; F31-Y250 AromaticContact CG-CD1 3.72Å; F31-Y250 HydrophobicContact CG-CD1 3.72Å; F31-Y250 HydrophobicContact CG-CG 4.35Å; F31-F253 HydrophobicContact CD2-CD1 4.17Å; F31-F253 HydrophobicContact CE1-CD1 4.43Å; F31-F253 HydrophobicContact CE2-CB 3.96Å; F31-F253 AromaticContact CE2-CD1 3.67Å; F31-F253 HydrophobicContact CE2-CD1 3.67Å; F31-F253 HydrophobicContact CE2-CG 4.29Å; F31-F253 HydrophobicContact CZ-CB 3.7Å; F31-F253 AromaticContact CZ-CD1 3.82Å; F31-F253 HydrophobicContact CZ-CD1 3.82Å; F31-F253 HydrophobicContact CZ-CG 4.14Å; F31-V277 HydrophobicContact CB-CG1 4.33Å; F31-V277 HydrophobicContact CD2-CB 4.5Å; F31-V277 HydrophobicContact CD2-CG2 3.68Å; F31-V277 HydrophobicContact CE2-CG2 4.33Å; F31-V277 HydrophobicContact CG-CG2 4.47Å
32T98.8Very high96.9Very high1 Ų134.1 Ų34.11%0.00618%0.18CC..Hα-helixtrans-64-40.1176.7-59.90000112A28 A29 R30 L35 K36 K73 D284 V287A28-T32 WeakPolarHBondContact O-CB 3.25Å; A28-T32 PolarHBondContact O-N 2.9Å; A28-T32 PolarHBondContact O-OG1 3.46Å; A29-T32 PolarHBondContact O-N 2.98Å; R30-T32 VanDerWaalsContact C-N 3.29Å; R30-T32 PolarHBondContact O-N 2.96Å; T32-L35 PolarHBondContact O-N 3.34Å; T32-K36 HydrophobicContact CG2-CD 4.29Å; T32-K36 WeakPolarHBondContact O-CG 3.35Å; T32-K36 PolarHBondContact O-N 2.85Å; T32-K73 WeakPolarHBondContact CG2-O 3.45Å; T32-D284 HydrophobicContact CG2-CB 4.2Å; T32-V287 HydrophobicContact CG2-CG2 3.9Å
33T98.7Very high97.2Very high19 Ų1935.3 Ų35.312%0.11719%0.189CC..Hα-helixtrans-60.9-46.8173.4-63.60000111.1A29 R30 F31 L35 K36 Q37 W281 E282 D284A29-T33 PolarHBondContact O-N 3.43Å; A29-T33 PolarHBondContact O-OG1 3.32Å; R30-T33 WeakPolarHBondContact O-CB 3.49Å; R30-T33 PolarHBondContact O-N 3.14Å; R30-T33 VanDerWaalsContact O-N 3.12Å; F31-T33 PolarHBondContact O-N 2.97Å; T33-L35 PolarHBondContact O-N 3.38Å; T33-K36 PolarHBondContact O-N 3.26Å; T33-Q37 HydrophobicContact CG2-CG 4.49Å; T33-Q37 WeakPolarHBondContact O-CG 3.39Å; T33-Q37 PolarHBondContact O-N 2.78Å; T33-W281 HydrophobicContact CG2-CE3 4.46Å; T33-E282 WeakPolarHBondContact CB-O 3.42Å; T33-E282 WeakPolarHBondContact CG2-O 3.39Å; T33-E282 PolarHBondContact OG1-O 3.03Å; T33-D284 PolarHBondContact OG1-N 2.71Å; T33-D284 VanDerWaalsContact OG1-N 3.08Å
34A98.6Very high97.4Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-60.6-45.9178.600000111.5R30 F31 K36 Q37 H38 F253 V275 V277 W281R30-A34 PolarHBondContact O-N 3.39Å; F31-A34 PolarHBondContact O-N 3.02Å; A34-K36 PolarHBondContact O-N 2.6Å; A34-Q37 PolarHBondContact O-N 2.9Å; A34-H38 PolarHBondContact O-N 2.93Å; A34-H38 VanDerWaalsContact O-N 3.08Å; A34-H38 PolarHBondContact O-ND1 2.79Å; A34-F253 HydrophobicContact CB-CE1 3.66Å; A34-F253 HydrophobicContact CB-CZ 4.11Å; A34-V275 HydrophobicContact CB-CG1 4.48Å; A34-V277 HydrophobicContact CB-CG2 4.34Å; A34-W281 HydrophobicContact CB-CD2 3.62Å; A34-W281 HydrophobicContact CB-CE3 3.76Å; A34-W281 HydrophobicContact CB-CG 4.09Å; A34-W281 HydrophobicContact CB-CH2 4.31Å; A34-W281 HydrophobicContact CB-CZ2 4.17Å; A34-W281 HydrophobicContact CB-CZ3 4.08Å
35L98.8Very high97.6Very high0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-55.4-47.6173.6-77.8178.6000112.3L9 F11 F31 T32 T33 Q37 H38 G39 A40 M74 F253L9-L35 HydrophobicContact CB-CD2 3.97Å; L9-L35 HydrophobicContact CD1-CD2 3.72Å; L9-L35 HydrophobicContact CG-CD2 4.45Å; F11-L35 HydrophobicContact CE1-CD1 4.46Å; F31-L35 HydrophobicContact CD1-CD1 3.74Å; F31-L35 HydrophobicContact CD1-CG 4.02Å; F31-L35 HydrophobicContact CE1-CD1 3.62Å; F31-L35 HydrophobicContact CE1-CD2 4.32Å; F31-L35 HydrophobicContact CE1-CG 3.92Å; F31-L35 WeakPolarHBondContact O-CG 3.39Å; F31-L35 PolarHBondContact O-N 2.73Å; T32-L35 PolarHBondContact O-N 3.34Å; T33-L35 PolarHBondContact O-N 3.38Å; L35-Q37 VanDerWaalsContact C-N 3.34Å; L35-Q37 PolarHBondContact O-N 3.24Å; L35-H38 CarbonylContact O-C 3.51Å; L35-H38 WeakPolarHBondContact O-CA 3.24Å; L35-H38 PolarHBondContact O-N 2.96Å; L35-G39 PolarHBondContact O-N 3.27Å; L35-A40 VanDerWaalsContact C-CB 3.5Å; L35-A40 HydrophobicContact CB-CB 3.85Å; L35-A40 WeakPolarHBondContact O-CB 3.41Å; L35-A40 PolarHBondContact O-N 2.96Å; L35-M74 HydrophobicContact CD1-CB 3.83Å; L35-M74 HydrophobicContact CD1-CG 4.11Å; L35-F253 HydrophobicContact CD2-CD1 4.2Å; L35-F253 HydrophobicContact CD2-CD2 4.02Å; L35-F253 HydrophobicContact CD2-CE1 4.19Å; L35-F253 HydrophobicContact CD2-CE2 4.02Å; L35-F253 HydrophobicContact CD2-CG 4.11Å; L35-F253 HydrophobicContact CD2-CZ 4.09Å; L35-F253 HydrophobicContact CG-CE1 4.37Å
36K98.5Very high97.7Very high71 Ų7129.2 Ų29.231%0.30916%0.158SC..Hα-helixtrans-60.9-41.7178.4-74.4172.2177.6-179.80112.1T32 T33 A34 H38 G39 F75 D284T32-K36 HydrophobicContact CG2-CD 4.29Å; T32-K36 WeakPolarHBondContact O-CG 3.35Å; T32-K36 PolarHBondContact O-N 2.85Å; T33-K36 PolarHBondContact O-N 3.26Å; A34-K36 PolarHBondContact O-N 2.6Å; K36-H38 PolarHBondContact O-N 3.11Å; K36-G39 PolarHBondContact O-N 3.34Å; K36-G39 VanDerWaalsContact O-N 3.08Å; K36-F75 HydrophobicContact CD-CE2 4.32Å; K36-F75 HydrophobicContact CG-CE2 3.87Å; K36-D284 IonicContact NZ-OD2 2.73Å; K36-D284 PolarHBondContact NZ-OD2 3.22Å
37Q98.1Very high97.8Very high131 Ų13129.1 Ų29.161%0.61216%0.158SC*.Hα-helixtrans-68.7-18.8176.8-68.3-165.525.200113T33 A34 L35 W281T33-Q37 HydrophobicContact CG2-CG 4.49Å; T33-Q37 WeakPolarHBondContact O-CG 3.39Å; T33-Q37 PolarHBondContact O-N 2.78Å; A34-Q37 PolarHBondContact O-N 2.9Å; L35-Q37 VanDerWaalsContact C-N 3.34Å; L35-Q37 PolarHBondContact O-N 3.24Å; Q37-W281 HydrophobicContact CB-CH2 4.48Å; Q37-W281 HydrophobicContact CB-CZ3 3.82Å; Q37-W281 HydrophobicContact CG-CZ3 4.08Å
38H98.2Very high97.9Very high27 Ų2729 Ų2913%0.12516%0.157CC..THydrogen-bonded Turntrans-9717.5171.4-66.379.8000113.3L9 A34 L35 K36 S44 F253 H255 E273 V275 W281L9-H38 HydrophobicContact CD1-CB 3.96Å; L9-H38 HydrophobicContact CD2-CB 3.81Å; A34-H38 PolarHBondContact O-N 2.93Å; A34-H38 VanDerWaalsContact O-N 3.08Å; A34-H38 PolarHBondContact O-ND1 2.79Å; L35-H38 CarbonylContact O-C 3.51Å; L35-H38 WeakPolarHBondContact O-CA 3.24Å; L35-H38 PolarHBondContact O-N 2.96Å; K36-H38 PolarHBondContact O-N 3.11Å; H38-S44 WeakPolarHBondContact O-CB 3.48Å; H38-S44 PolarHBondContact O-OG 2.86Å; H38-F253 HydrophobicContact CB-CE2 4.32Å; H38-F253 HydrophobicContact CB-CZ 4.41Å; H38-F253 AromaticContact ND1-CZ 3.71Å; H38-H255 AromaticContact CD2-ND1 3.6Å; H38-E273 IonicContact NE2-OE1 3.98Å; H38-V275 WeakPolarHBondContact NE2-CG2 3.3Å; H38-W281 AromaticContact CE1-CH2 3.54Å; H38-W281 AromaticContact CE1-CZ2 3.93Å
39G97.9Very high97.9Very high13 Ų1329 Ų2913%0.13416%0.157CC..THydrogen-bonded Turntrans90.810.3170.400000115.9L35 K36 G41 Q42 D43 S44L35-G39 PolarHBondContact O-N 3.27Å; K36-G39 PolarHBondContact O-N 3.34Å; K36-G39 VanDerWaalsContact O-N 3.08Å; G39-G41 PolarHBondContact O-N 3.43Å; G39-Q42 CarbonylContact O-C 3.57Å; G39-Q42 PolarHBondContact O-N 2.94Å; G39-D43 PolarHBondContact O-N 3.46Å; G39-S44 PolarHBondContact O-N 3.47Å; G39-S44 VanDerWaalsContact O-N 3.11Å
40A98Very high97.9Very high4 Ų429 Ų293%0.03316%0.156CC..BIsolated β-bridgetrans-58.2130.617300000111.3L9 L35 Q42 V46 F75L9-A40 HydrophobicContact CD1-CB 3.98Å; L35-A40 VanDerWaalsContact C-CB 3.5Å; L35-A40 HydrophobicContact CB-CB 3.85Å; L35-A40 WeakPolarHBondContact O-CB 3.41Å; L35-A40 PolarHBondContact O-N 2.96Å; A40-Q42 VanDerWaalsContact C-N 3.25Å; A40-Q42 PolarHBondContact O-N 2.89Å; A40-V46 HydrophobicContact CB-CG2 3.71Å; A40-F75 HydrophobicContact CB-CB 4.29Å; A40-F75 HydrophobicContact CB-CD2 4Å
41G95.6Very high97.9Very high50 Ų5027.4 Ų27.452%0.51515%0.15SC..THydrogen-bonded Turntrans78.84.1-174.800000114.7G39G39-G41 PolarHBondContact O-N 3.43Å
42Q94.6Very high97.8Very high146 Ų14627.5 Ų27.568%0.68215%0.151SC*.THydrogen-bonded Turntrans-125.1-104.6174.2-62176.56.200109G39 A40G39-Q42 CarbonylContact O-C 3.57Å; G39-Q42 PolarHBondContact O-N 2.94Å; A40-Q42 VanDerWaalsContact C-N 3.25Å; A40-Q42 PolarHBondContact O-N 2.89Å
43D93.1Very high97.8Very high102 Ų10227.7 Ų27.755%0.54515%0.152SC..THydrogen-bonded Turntrans-98.7-2.8-170.8-59.9-36.1000113.9G39 H129G39-D43 PolarHBondContact O-N 3.46Å; D43-H129 PolarHBondContact O-CE1 3.5Å; D43-H129 PolarHBondContact O-NE2 2.9Å
44S97.7Very high97.6Very high8 Ų826.9 Ų26.96%0.05615%0.147CC..EExtended strand (participates in β ladder)trans-104.8137.9179.4-61.10000112.3H7 H38 G39H7-S44 VanDerWaalsContact CB-OG 3.28Å; H7-S44 WeakPolarHBondContact CB-OG 3.24Å; H7-S44 WeakPolarHBondContact O-CA 3.46Å; H38-S44 WeakPolarHBondContact O-CB 3.48Å; H38-S44 PolarHBondContact O-OG 2.86Å; G39-S44 PolarHBondContact O-N 3.47Å; G39-S44 VanDerWaalsContact O-N 3.11Å
45I98.3Very high97.4Very high3 Ų327 Ų272%0.01515%0.148CC..EExtended strand (participates in β ladder)trans-83.4128.8170.3-57.3178000108.6L6 H7 I8 L9 L47 N77 M127 H129 I134L6-I45 HydrophobicContact CD1-CD1 3.71Å; L6-I45 HydrophobicContact CD1-CG1 4.3Å; H7-I45 PolarHBondContact O-N 2.82Å; I8-I45 CarbonylContact C-O 3.59Å; I8-I45 VanDerWaalsContact CA-O 3.31Å; I8-I45 WeakPolarHBondContact CA-O 3.07Å; L9-I45 PolarHBondContact N-O 3.5Å; I45-L47 HydrophobicContact CG2-CD1 4.45Å; I45-L47 HydrophobicContact CG2-CD2 3.81Å; I45-L47 HydrophobicContact CG2-CG 3.93Å; I45-N77 VanDerWaalsContact CA-OD1 3.32Å; I45-N77 WeakPolarHBondContact CA-OD1 3.49Å; I45-N77 HydrophobicContact CG2-CB 3.93Å; I45-M127 HydrophobicContact CD1-SD 3.84Å; I45-M127 HydrophobicContact CG1-SD 4.44Å; I45-M127 HydrophobicContact CG2-SD 3.74Å; I45-H129 HydrophobicContact CD1-CB 3.78Å; I45-H129 HydrophobicContact CG1-CB 4.28Å; I45-I134 HydrophobicContact CD1-CD1 3.43Å; I45-I134 VanDerWaalsContact CD1-CD1 3.43Å
46V98.8Very high97.2Very high0 Ų027 Ų270%015%0.148CC..EExtended strand (participates in β ladder)trans-104.6123.7175.9-173.50000109.9L9 F11 A40 F75 I76 N77L9-V46 HydrophobicContact CB-CG2 4.29Å; L9-V46 HydrophobicContact CD1-CG2 4.18Å; L9-V46 CarbonylContact O-C 3.57Å; L9-V46 WeakPolarHBondContact O-CA 3.08Å; F11-V46 HydrophobicContact CD1-CG1 4.32Å; F11-V46 HydrophobicContact CE1-CG1 3.66Å; A40-V46 HydrophobicContact CB-CG2 3.71Å; V46-F75 WeakPolarHBondContact CB-O 3.49Å; V46-F75 HydrophobicContact CG2-CB 4.5Å; V46-I76 HydrophobicContact CG1-CG1 4.16Å; V46-N77 PolarHBondContact N-OD1 2.9Å; V46-N77 PolarHBondContact O-N 3.23Å
47L98.9Very high96.8Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-122.5135.5-178.9-60.5178.9000110.6I8 L9 H10 F11 I45 C78 I136 I182 L184 L206I8-L47 HydrophobicContact CG2-CD1 3.81Å; I8-L47 HydrophobicContact CG2-CG 4.19Å; L9-L47 PolarHBondContact O-N 2.92Å; H10-L47 WeakPolarHBondContact CA-O 3.13Å; H10-L47 PolarHBondContact CD2-O 3.39Å; F11-L47 PolarHBondContact N-O 3.44Å; I45-L47 HydrophobicContact CG2-CD1 4.45Å; I45-L47 HydrophobicContact CG2-CD2 3.81Å; I45-L47 HydrophobicContact CG2-CG 3.93Å; L47-C78 HydrophobicContact CD2-CB 3.83Å; L47-I136 HydrophobicContact CD1-CD1 4.26Å; L47-I136 HydrophobicContact CD2-CD1 3.6Å; L47-I182 HydrophobicContact CD1-CD1 4.23Å; L47-I182 HydrophobicContact CD1-CG2 4.19Å; L47-L184 HydrophobicContact CB-CD2 3.94Å; L47-L184 HydrophobicContact CD1-CD2 4.23Å; L47-L206 HydrophobicContact CB-CD1 4.14Å; L47-L206 HydrophobicContact CD1-CD1 3.52Å; L47-L206 HydrophobicContact CG-CD1 4.43Å
48F98.9Very high96.5Very high0 Ų020.7 Ų20.70%012%0.117CC..EExtended strand (participates in β ladder)trans-123123.8-176.7177.3-124.4000111.4F11 V14 G50 C52 M71 I76 C78 S79 L80 W104F11-F48 AromaticContact CD2-CD2 3.4Å; F11-F48 HydrophobicContact CD2-CD2 3.4Å; F11-F48 VanDerWaalsContact CD2-CD2 3.4Å; F11-F48 AromaticContact CD2-CE2 3.77Å; F11-F48 HydrophobicContact CD2-CE2 3.77Å; F11-F48 HydrophobicContact CD2-CG 4.43Å; F11-F48 HydrophobicContact CE1-CB 4.27Å; F11-F48 HydrophobicContact CE1-CD2 4.42Å; F11-F48 HydrophobicContact CE2-CB 4.37Å; F11-F48 AromaticContact CE2-CD2 3.25Å; F11-F48 HydrophobicContact CE2-CD2 3.25Å; F11-F48 AromaticContact CE2-CE2 3.7Å; F11-F48 HydrophobicContact CE2-CE2 3.7Å; F11-F48 AromaticContact CE2-CG 3.94Å; F11-F48 HydrophobicContact CE2-CG 3.94Å; F11-F48 HydrophobicContact CG-CD2 4.07Å; F11-F48 HydrophobicContact CZ-CB 4.05Å; F11-F48 AromaticContact CZ-CD2 3.82Å; F11-F48 HydrophobicContact CZ-CD2 3.82Å; F11-F48 HydrophobicContact CZ-CG 4.08Å; F11-F48 WeakPolarHBondContact O-CA 3.46Å; F11-F48 VanDerWaalsContact O-CD2 3.29Å; F11-F48 WeakPolarHBondContact O-CD2 3.34Å; V14-F48 HydrophobicContact CG2-CE2 3.78Å; V14-F48 HydrophobicContact CG2-CZ 3.94Å; F48-G50 WeakPolarHBondContact CE2-O 3.48Å; F48-G50 WeakPolarHBondContact CZ-O 3.35Å; F48-C52 HydrophobicContact CE1-CB 3.89Å; F48-C52 HydrophobicContact CZ-CB 3.69Å; F48-M71 HydrophobicContact CD1-CE 3.59Å; F48-M71 HydrophobicContact CD2-CE 4.25Å; F48-M71 HydrophobicContact CE1-CE 3.61Å; F48-M71 HydrophobicContact CE2-CE 4.24Å; F48-M71 HydrophobicContact CG-CE 3.97Å; F48-M71 HydrophobicContact CZ-CE 3.95Å; F48-I76 HydrophobicContact CB-CD1 4.34Å; F48-I76 HydrophobicContact CB-CG1 4.45Å; F48-I76 HydrophobicContact CB-CG2 4.09Å; F48-C78 PolarHBondContact N-O 3.34Å; F48-S79 WeakPolarHBondContact CD1-OG 3.43Å; F48-S79 CarbonylContact O-C 3.6Å; F48-S79 WeakPolarHBondContact O-CA 3.34Å; F48-S79 PolarHBondContact O-OG 2.81Å; F48-S79 VanDerWaalsContact O-OG 3.1Å; F48-L80 PolarHBondContact O-N 2.78Å; F48-W104 HydrophobicContact CD1-CH2 4.15Å; F48-W104 HydrophobicContact CD1-CZ3 4.37Å; F48-W104 AromaticContact CE1-CH2 3.98Å; F48-W104 HydrophobicContact CE1-CH2 3.98Å; F48-W104 HydrophobicContact CE1-CZ3 4.29Å
49S98.8Very high96.4Very high0 Ų019.4 Ų19.40%011%0.111CC..  trans-9727.1-175.8-60.60000114H10 F11 L80 H186 L206H10-S49 WeakPolarHBondContact NE2-CB 3.43Å; H10-S49 PolarHBondContact NE2-OG 3.42Å; F11-S49 PolarHBondContact O-N 2.85Å; S49-L80 CarbonylContact C-O 3.55Å; S49-H186 PolarHBondContact O-ND1 2.85Å; S49-L206 PolarHBondContact OG-O 2.78Å; S49-L206 VanDerWaalsContact OG-O 3.08Å
50G98.2Very high96Very high0 Ų020.9 Ų20.90%012%0.116CC..SBendtrans92.6175.7166.500000115.5D13 F48 L80D13-G50 PolarHBondContact N-O 3.03Å; F48-G50 WeakPolarHBondContact CE2-O 3.48Å; F48-G50 WeakPolarHBondContact CZ-O 3.35Å; G50-L80 WeakPolarHBondContact CA-O 3.47Å; G50-L80 PolarHBondContact N-O 2.85Å
51D98.1Very high95.7Very high0 Ų023.9 Ų23.90%014%0.141CC..  trans66.377.5-175.5-84.66.1000113.6D13 V14 Y15 G82 N83 H84 E85 H186D13-D51 CarbonylContact C-O 3.57Å; D13-D51 VanDerWaalsContact CA-O 3.26Å; D13-D51 WeakPolarHBondContact CA-O 3.47Å; D13-D51 HydrophobicContact CB-CB 4.48Å; V14-D51 PolarHBondContact N-O 2.75Å; Y15-D51 HydrophobicContact CE1-CB 3.68Å; Y15-D51 PolarHBondContact OH-OD2 3.4Å; D51-G82 WeakPolarHBondContact OD1-CA 3.46Å; D51-N83 PolarHBondContact OD1-N 3Å; D51-H84 WeakPolarHBondContact OD1-CB 3.35Å; D51-H84 IonicContact OD1-CD2 3.68Å; D51-H84 IonicContact OD1-CG 2.72Å; D51-H84 PolarHBondContact OD1-N 3.01Å; D51-H84 IonicContact OD2-CD2 3.41Å; D51-H84 PolarHBondContact OD2-CD2 2.81Å; D51-H84 IonicContact OD2-CG 2.8Å; D51-E85 WeakPolarHBondContact CA-OE2 3.26Å; D51-E85 PolarHBondContact N-OE2 3.06Å; D51-H186 IonicContact OD1-CE1 3.18Å; D51-H186 IonicContact OD1-NE2 2.8Å; D51-H186 IonicContact OD2-CE1 3.83Å; D51-H186 PolarHBondContact OD2-CE1 2.97Å; D51-H186 IonicContact OD2-NE2 3.31Å; D51-H186 PolarHBondContact OD2-NE2 2.78Å
52C97.8Very high95.6Very high2 Ų223.3 Ų23.31%0.01413%0.127CC..  trans-129.6-26.5175.565.20000114.2V14 F48 I67 M71 E85V14-C52 HydrophobicContact CG2-CB 3.96Å; F48-C52 HydrophobicContact CE1-CB 3.89Å; F48-C52 HydrophobicContact CZ-CB 3.69Å; C52-I67 HydrophobicContact CB-CG2 3.9Å; C52-I67 WeakPolarHBondContact O-CD1 3.42Å; C52-I67 WeakPolarHBondContact O-CG1 3.47Å; C52-M71 HydrophobicContact CB-CE 4.18Å; C52-E85 PolarHBondContact N-OE1 2.7Å; C52-E85 PolarHBondContact SG-OE1 3.27Å
53L97.4Very high95.6Very high5 Ų520.6 Ų20.63%0.02611%0.114CC..SBendtrans-74.9-27.9-174.7-62.7-171.9000113.3S59 G64 I67 E85 C96L53-S59 WeakPolarHBondContact O-CB 3.17Å; L53-G64 WeakPolarHBondContact O-CA 3.37Å; L53-I67 HydrophobicContact CD2-CB 3.87Å; L53-I67 HydrophobicContact CD2-CG1 4.34Å; L53-I67 HydrophobicContact CD2-CG2 3.98Å; L53-E85 HydrophobicContact CD1-CB 4.43Å; L53-E85 HydrophobicContact CD1-CG 3.98Å; L53-E85 HydrophobicContact CG-CG 4.03Å; L53-E85 PolarHBondContact N-OE1 3.31Å; L53-E85 VanDerWaalsContact N-OE1 3.07Å; L53-C96 HydrophobicContact CD1-CB 3.77Å; L53-C96 HydrophobicContact CD2-CB 3.95Å
54S95.6Very high95.8Very high2 Ų215.7 Ų15.71%0.0149%0.088CC..SBendtrans-159155.9-174.2-172.20000109.4Y15 H84 D87Y15-S54 VanDerWaalsContact CD1-C 3.48Å; Y15-S54 WeakPolarHBondContact CD1-O 3.24Å; Y15-S54 WeakPolarHBondContact CE1-O 3.33Å; S54-H84 WeakPolarHBondContact CB-O 3.12Å; S54-H84 WeakPolarHBondContact O-CB 3.35Å; S54-D87 WeakPolarHBondContact CB-OD2 3.4Å; S54-D87 PolarHBondContact OG-OD2 3.03Å
55P94.7Very high95.7Very high3 Ų319.3 Ų19.32%0.01910%0.1CC..SBendcis-97.8134.2-1.637.7-35000113.9Y15 R352 P372 Y373Y15-P55 VanDerWaalsContact CB-O 3.25Å; Y15-P55 WeakPolarHBondContact CB-O 3.25Å; Y15-P55 VanDerWaalsContact CD1-CD 3.43Å; Y15-P55 VanDerWaalsContact CE1-CD 3.48Å; P55-R352 HydrophobicContact CG-CG 4.09Å; P55-R352 VanDerWaalsContact CG-NE 3.3Å; P55-P372 HydrophobicContact CB-CB 4.25Å; P55-P372 HydrophobicContact CB-CG 3.9Å; P55-P372 HydrophobicContact CG-CG 4.24Å; P55-Y373 HydrophobicContact CB-CD1 4.32Å; P55-Y373 HydrophobicContact CB-CE1 3.53Å; P55-Y373 HydrophobicContact CB-CE2 4.29Å; P55-Y373 HydrophobicContact CG-CE1 4.32Å; P55-Y373 HydrophobicContact CG-CE2 4.45Å; P55-Y373 WeakPolarHBondContact CG-OH 3.4Å
56S94.4Very high95.6Very high1 Ų119.6 Ų19.61%0.00710%0.102CC..SBendtrans-147.2161.8162.571.20000110Y15 I58 S59 N60Y15-S56 WeakPolarHBondContact O-CB 3.42Å; S56-I58 PolarHBondContact O-N 2.87Å; S56-S59 PolarHBondContact N-OG 2.9Å; S56-S59 PolarHBondContact O-N 2.65Å; S56-S59 VanDerWaalsContact O-N 3.16Å; S56-S59 PolarHBondContact O-OG 2.9Å; S56-S59 WeakPolarHBondContact OG-CB 3.26Å; S56-S59 PolarHBondContact OG-N 3.09Å; S56-N60 PolarHBondContact O-N 3.41Å; S56-N60 PolarHBondContact O-ND2 2.85Å
57Y90.3Very high95.6Very high68 Ų6819.7 Ų19.727%0.26710%0.102SC..Hα-helixtrans-61-33175.3-174-100.1000111.6L298 L302 T368 L477Y57-L298 HydrophobicContact CD1-CD1 4.2Å; Y57-L298 HydrophobicContact CE1-CD1 4.19Å; Y57-L298 HydrophobicContact CE1-CD2 4.16Å; Y57-L302 HydrophobicContact CD1-CD1 4.45Å; Y57-L302 HydrophobicContact CD1-CD2 3.94Å; Y57-L302 HydrophobicContact CE1-CD2 3.98Å; Y57-T368 HydrophobicContact CD2-CG2 3.6Å; Y57-T368 HydrophobicContact CE2-CG2 3.84Å; Y57-T368 HydrophobicContact CG-CG2 4.08Å; Y57-L477 HydrophobicContact CE2-CD2 4.31Å
58I92.1Very high95.5Very high1 Ų119.7 Ų19.71%0.00510%0.103CC..Hα-helixtrans-73.7-36.1176.7-58.7154.9000110.8V17 E18 S56 N60 A61 T62 T295 L298V17-I58 HydrophobicContact CG2-CD1 4.28Å; E18-I58 WeakPolarHBondContact OE2-CD1 3.35Å; S56-I58 PolarHBondContact O-N 2.87Å; I58-N60 VanDerWaalsContact C-N 3.28Å; I58-N60 PolarHBondContact O-N 2.74Å; I58-A61 PolarHBondContact O-N 3.26Å; I58-A61 VanDerWaalsContact O-N 3.09Å; I58-T62 HydrophobicContact CG2-CG2 4.03Å; I58-T62 WeakPolarHBondContact O-CB 3.17Å; I58-T62 WeakPolarHBondContact O-CG2 3.45Å; I58-T62 PolarHBondContact O-N 2.95Å; I58-T62 PolarHBondContact O-OG1 2.86Å; I58-T295 HydrophobicContact CD1-CG2 3.59Å; I58-L298 HydrophobicContact CG1-CD1 4.06Å
59S94.7Very high95.5Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-61.2-38.517676.60000111.3L53 S56 A61 T62 H63 G64 F88L53-S59 WeakPolarHBondContact O-CB 3.17Å; S56-S59 PolarHBondContact N-OG 2.9Å; S56-S59 PolarHBondContact O-N 2.65Å; S56-S59 VanDerWaalsContact O-N 3.16Å; S56-S59 PolarHBondContact O-OG 2.9Å; S56-S59 WeakPolarHBondContact OG-CB 3.26Å; S56-S59 PolarHBondContact OG-N 3.09Å; S59-A61 VanDerWaalsContact C-N 3.29Å; S59-A61 PolarHBondContact O-N 2.71Å; S59-T62 PolarHBondContact O-N 3.46Å; S59-H63 WeakPolarHBondContact O-CA 3.31Å; S59-H63 PolarHBondContact O-N 3.5Å; S59-G64 PolarHBondContact O-N 2.82Å; S59-F88 WeakPolarHBondContact O-CZ 3.46Å
60N90.7Very high95.5Very high44 Ų4422 Ų2224%0.23512%0.118CC..Hα-helixtrans-60.3-36173.4-75.3-78.6000113.4S56 I58 P372S56-N60 PolarHBondContact O-N 3.41Å; S56-N60 PolarHBondContact O-ND2 2.85Å; I58-N60 VanDerWaalsContact C-N 3.28Å; I58-N60 PolarHBondContact O-N 2.74Å; N60-P372 PolarHBondContact ND2-O 2.98Å
61A90.3Very high95.5Very high67 Ų6722 Ų2255%0.55412%0.118SC*.Hα-helixtrans-80.4-22-18000000113.6I58 S59I58-A61 PolarHBondContact O-N 3.26Å; I58-A61 VanDerWaalsContact O-N 3.09Å; S59-A61 VanDerWaalsContact C-N 3.29Å; S59-A61 PolarHBondContact O-N 2.71Å
62T93.8Very high95.5Very high38 Ų3823.8 Ų23.823%0.23313%0.128CC..Hα-helixtrans-117.4-9.8-171.759.60000113.5I58 S59 G64 R65 H66I58-T62 HydrophobicContact CG2-CG2 4.03Å; I58-T62 WeakPolarHBondContact O-CB 3.17Å; I58-T62 WeakPolarHBondContact O-CG2 3.45Å; I58-T62 PolarHBondContact O-N 2.95Å; I58-T62 PolarHBondContact O-OG1 2.86Å; S59-T62 PolarHBondContact O-N 3.46Å; T62-G64 VanDerWaalsContact C-N 3.31Å; T62-G64 PolarHBondContact OG1-N 2.89Å; T62-R65 WeakPolarHBondContact O-CB 3.21Å; T62-R65 WeakPolarHBondContact O-CG 3.47Å; T62-R65 PolarHBondContact O-N 2.61Å; T62-H66 HydrophobicContact CG2-CB 4.45Å; T62-H66 PolarHBondContact OG1-CE1 2.91Å; T62-H66 PolarHBondContact OG1-ND1 3.31Å
63H95.1Very high95.5Very high88 Ų8827.8 Ų27.841%0.40715%0.145SC..THydrogen-bonded Turntrans47.851.4-165-46.6114.3000111.5S59 R65 F88 I92S59-H63 WeakPolarHBondContact O-CA 3.31Å; S59-H63 PolarHBondContact O-N 3.5Å; H63-R65 PolarHBondContact O-N 3.39Å; H63-F88 VanDerWaalsContact C-CD2 3.45Å; H63-F88 HydrophobicContact CB-CB 4.12Å; H63-F88 HydrophobicContact CB-CD1 4.13Å; H63-F88 HydrophobicContact CB-CD2 4.07Å; H63-F88 HydrophobicContact CB-CG 3.83Å; H63-F88 AromaticContact CD2-CD1 3.79Å; H63-I92 HydrophobicContact CB-CG2 3.99Å; H63-I92 WeakPolarHBondContact O-CG2 3.44Å
64G96.3Very high95.6Very high0 Ų027.5 Ų27.50%014%0.144CC..THydrogen-bonded Turntrans73.4-12.9178.500000116.5L53 S59 T62 H66 I67L53-G64 WeakPolarHBondContact O-CA 3.37Å; S59-G64 PolarHBondContact O-N 2.82Å; T62-G64 VanDerWaalsContact C-N 3.31Å; T62-G64 PolarHBondContact OG1-N 2.89Å; G64-H66 PolarHBondContact O-N 2.72Å; G64-I67 VanDerWaalsContact O-CB 3.3Å; G64-I67 WeakPolarHBondContact O-CB 3.27Å; G64-I67 WeakPolarHBondContact O-CG1 3.42Å; G64-I67 PolarHBondContact O-N 3Å
65R96.7Very high95.7Very high83 Ų8331.6 Ų31.631%0.31316%0.161SC..THydrogen-bonded Turntrans-59.8-12.5-172.9-69.1-177.7175.982-3.6116.8T62 H63 I67 E95T62-R65 WeakPolarHBondContact O-CB 3.21Å; T62-R65 WeakPolarHBondContact O-CG 3.47Å; T62-R65 PolarHBondContact O-N 2.61Å; H63-R65 PolarHBondContact O-N 3.39Å; R65-I67 VanDerWaalsContact C-N 3.33Å; R65-E95 WeakPolarHBondContact CD-OE1 3.46Å; R65-E95 IonicContact CZ-OE1 3.48Å; R65-E95 IonicContact CZ-OE2 3.36Å; R65-E95 VanDerWaalsContact NE-CD 3.33Å; R65-E95 IonicContact NE-OE1 3.15Å; R65-E95 PolarHBondContact NE-OE1 3.13Å; R65-E95 IonicContact NE-OE2 2.77Å; R65-E95 PolarHBondContact NE-OE2 2.88Å; R65-E95 IonicContact NH2-OE1 3.85Å; R65-E95 IonicContact NH2-OE2 3.69Å; R65-E95 PolarHBondContact NH2-OE2 2.8Å
66H96.1Very high95.9Very high9 Ų931.8 Ų31.84%0.04216%0.162CC..THydrogen-bonded Turntrans-76.8-23.4174.664.1-69.9000112.6T62 G64 S69T62-H66 HydrophobicContact CG2-CB 4.45Å; T62-H66 PolarHBondContact OG1-CE1 2.91Å; T62-H66 PolarHBondContact OG1-ND1 3.31Å; G64-H66 PolarHBondContact O-N 2.72Å; H66-S69 PolarHBondContact O-OG 3.04Å; H66-S69 VanDerWaalsContact O-OG 3.08Å
67I98Very high96.1Very high2 Ų234.9 Ų34.91%0.0118%0.179CC..Hα-helixtrans-71-47-170.9-61.5-67.3000113.7V17 C52 L53 G64 R65 S69 I70 M71V17-I67 HydrophobicContact CG1-CD1 3.65Å; C52-I67 HydrophobicContact CB-CG2 3.9Å; C52-I67 WeakPolarHBondContact O-CD1 3.42Å; C52-I67 WeakPolarHBondContact O-CG1 3.47Å; L53-I67 HydrophobicContact CD2-CB 3.87Å; L53-I67 HydrophobicContact CD2-CG1 4.34Å; L53-I67 HydrophobicContact CD2-CG2 3.98Å; G64-I67 VanDerWaalsContact O-CB 3.3Å; G64-I67 WeakPolarHBondContact O-CB 3.27Å; G64-I67 WeakPolarHBondContact O-CG1 3.42Å; G64-I67 PolarHBondContact O-N 3Å; R65-I67 VanDerWaalsContact C-N 3.33Å; I67-S69 VanDerWaalsContact C-N 3.27Å; I67-S69 PolarHBondContact O-N 2.84Å; I67-S69 VanDerWaalsContact O-N 3.15Å; I67-I70 WeakPolarHBondContact O-CB 3.49Å; I67-I70 PolarHBondContact O-N 3.4Å; I67-M71 HydrophobicContact CG2-CG 3.48Å; I67-M71 VanDerWaalsContact CG2-CG 3.48Å; I67-M71 PolarHBondContact O-N 3.06Å
68P98.5Very high96.5Very high1 Ų131.7 Ų31.71%0.00617%0.166CC..Hα-helixtrans-55.3-41.8-175-28.636000113.2I70 M71 N72 C96 Q99P68-I70 VanDerWaalsContact C-N 3.25Å; P68-I70 PolarHBondContact O-N 2.9Å; P68-M71 PolarHBondContact O-N 3.1Å; P68-N72 VanDerWaalsContact O-CB 3.29Å; P68-N72 WeakPolarHBondContact O-CB 3.22Å; P68-N72 PolarHBondContact O-N 3.12Å; P68-N72 PolarHBondContact O-ND2 2.99Å; P68-N72 PolarHBondContact O-OD1 2.66Å; P68-C96 HydrophobicContact CG-CB 3.95Å; P68-C96 VanDerWaalsContact CG-O 3.28Å; P68-C96 WeakPolarHBondContact CG-O 3.49Å; P68-Q99 HydrophobicContact CB-CB 3.65Å; P68-Q99 HydrophobicContact CG-CB 4.13Å
69S98Very high96.8Very high47 Ų4731.6 Ų31.633%0.32917%0.166SC..Hα-helixtrans-62.4-31.5179.272.70000113.8H66 I67 L290H66-S69 PolarHBondContact O-OG 3.04Å; H66-S69 VanDerWaalsContact O-OG 3.08Å; I67-S69 VanDerWaalsContact C-N 3.27Å; I67-S69 PolarHBondContact O-N 2.84Å; I67-S69 VanDerWaalsContact O-N 3.15Å; S69-L290 VanDerWaalsContact O-CD1 3.24Å; S69-L290 WeakPolarHBondContact O-CD1 3.32Å
70I98.5Very high97Very high0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-80.5-50.4178.3-68.4168.8000109.7V17 A28 I67 P68 N72 K73 M74 V287 L290 V291V17-I70 HydrophobicContact CB-CD1 4.09Å; V17-I70 HydrophobicContact CG1-CD1 3.85Å; V17-I70 HydrophobicContact CG2-CD1 4.24Å; A28-I70 HydrophobicContact CB-CG2 3.7Å; I67-I70 WeakPolarHBondContact O-CB 3.49Å; I67-I70 PolarHBondContact O-N 3.4Å; P68-I70 VanDerWaalsContact C-N 3.25Å; P68-I70 PolarHBondContact O-N 2.9Å; I70-N72 VanDerWaalsContact C-N 3.26Å; I70-N72 PolarHBondContact O-N 2.9Å; I70-K73 WeakPolarHBondContact O-CB 3.47Å; I70-K73 PolarHBondContact O-N 3.1Å; I70-M74 HydrophobicContact CG2-CE 3.84Å; I70-V287 HydrophobicContact CG2-CG1 4.04Å; I70-L290 HydrophobicContact CG1-CB 3.88Å; I70-L290 HydrophobicContact CG1-CD1 4.3Å; I70-V291 HydrophobicContact CD1-CG2 4.14Å
71M98.5Very high97.3Very high1 Ų129.5 Ų29.51%0.00516%0.155CC..Hα-helixtrans-60.5-35.3-178.9-67.4-65.5-8300112.3F11 V14 F48 C52 I67 P68 K73 M74 I76 F102F11-M71 HydrophobicContact CE2-CE 3.92Å; F11-M71 HydrophobicContact CE2-SD 4.46Å; F11-M71 HydrophobicContact CZ-CE 4.11Å; V14-M71 HydrophobicContact CG2-CE 4.34Å; V14-M71 HydrophobicContact CG2-SD 4.31Å; F48-M71 HydrophobicContact CD1-CE 3.59Å; F48-M71 HydrophobicContact CD2-CE 4.25Å; F48-M71 HydrophobicContact CE1-CE 3.61Å; F48-M71 HydrophobicContact CE2-CE 4.24Å; F48-M71 HydrophobicContact CG-CE 3.97Å; F48-M71 HydrophobicContact CZ-CE 3.95Å; C52-M71 HydrophobicContact CB-CE 4.18Å; I67-M71 HydrophobicContact CG2-CG 3.48Å; I67-M71 VanDerWaalsContact CG2-CG 3.48Å; I67-M71 PolarHBondContact O-N 3.06Å; P68-M71 PolarHBondContact O-N 3.1Å; M71-K73 PolarHBondContact O-N 3.3Å; M71-M74 WeakPolarHBondContact O-CB 3.36Å; M71-M74 PolarHBondContact O-N 2.94Å; M71-M74 HydrophobicContact SD-CE 4.42Å; M71-M74 HydrophobicContact SD-SD 3.65Å; M71-M74 VanDerWaalsContact SD-SD 3.65Å; M71-I76 HydrophobicContact CB-CD1 4.17Å; M71-I76 HydrophobicContact CE-CD1 3.5Å; M71-I76 VanDerWaalsContact CE-CD1 3.5Å; M71-I76 HydrophobicContact SD-CD1 4.32Å; M71-F102 HydrophobicContact CB-CE1 3.92Å; M71-F102 HydrophobicContact CB-CZ 3.98Å
72N98.6Very high97.6Very high38 Ų3826.3 Ų26.320%0.20313%0.128CC..THydrogen-bonded Turntrans-59.8-14.8174.1-74-12000114.4P68 I70 Q99 C100 N101P68-N72 VanDerWaalsContact O-CB 3.29Å; P68-N72 WeakPolarHBondContact O-CB 3.22Å; P68-N72 PolarHBondContact O-N 3.12Å; P68-N72 PolarHBondContact O-ND2 2.99Å; P68-N72 PolarHBondContact O-OD1 2.66Å; I70-N72 VanDerWaalsContact C-N 3.26Å; I70-N72 PolarHBondContact O-N 2.9Å; N72-Q99 PolarHBondContact ND2-O 3.4Å; N72-C100 VanDerWaalsContact OD1-CA 3.26Å; N72-C100 WeakPolarHBondContact OD1-CA 3.27Å; N72-N101 PolarHBondContact O-ND2 3.43Å; N72-N101 PolarHBondContact OD1-N 2.78Å; N72-N101 PolarHBondContact OD1-OD1 2.97Å; N72-N101 VanDerWaalsContact OD1-OD1 3.1Å
73K98.3Very high97.7Very high85 Ų8524.9 Ų24.937%0.3712%0.119SC..THydrogen-bonded Turntrans-92.2-5.3175.9-59.9-62.1-173.2177.70113.8T32 I70 M71 F75 V287 L290T32-K73 WeakPolarHBondContact CG2-O 3.45Å; I70-K73 WeakPolarHBondContact O-CB 3.47Å; I70-K73 PolarHBondContact O-N 3.1Å; M71-K73 PolarHBondContact O-N 3.3Å; K73-F75 WeakPolarHBondContact O-CE2 3.29Å; K73-V287 HydrophobicContact CB-CG2 3.51Å; K73-V287 HydrophobicContact CG-CG2 3.88Å; K73-L290 HydrophobicContact CG-CD1 4.23Å
74M98.5Very high97.8Very high0 Ų021.5 Ų21.50%010%0.104CC..THydrogen-bonded Turntrans-95.12.4-176.9-63.2177.9179.900113.6F11 A28 F31 L35 I70 M71 I76 Y250F11-M74 HydrophobicContact CE2-SD 4.33Å; F11-M74 HydrophobicContact CZ-SD 4.09Å; A28-M74 HydrophobicContact CB-CE 3.81Å; F31-M74 HydrophobicContact CD1-CE 4.37Å; F31-M74 HydrophobicContact CD1-SD 4.36Å; L35-M74 HydrophobicContact CD1-CB 3.83Å; L35-M74 HydrophobicContact CD1-CG 4.11Å; I70-M74 HydrophobicContact CG2-CE 3.84Å; M71-M74 WeakPolarHBondContact O-CB 3.36Å; M71-M74 PolarHBondContact O-N 2.94Å; M71-M74 HydrophobicContact SD-CE 4.42Å; M71-M74 HydrophobicContact SD-SD 3.65Å; M71-M74 VanDerWaalsContact SD-SD 3.65Å; M74-I76 VanDerWaalsContact C-N 3.27Å; M74-I76 HydrophobicContact CB-CD1 4.38Å; M74-I76 HydrophobicContact CB-CG1 4.22Å; M74-I76 PolarHBondContact O-N 2.7Å; M74-Y250 HydrophobicContact CE-CD1 4.13Å; M74-Y250 HydrophobicContact CE-CE1 3.48Å; M74-Y250 VanDerWaalsContact CE-CE1 3.48Å; M74-Y250 HydrophobicContact SD-CE1 4.17Å
75F97.9Very high97.7Very high87 Ų8721.6 Ų21.638%0.38210%0.104SC..THydrogen-bonded Turntrans57.234.4177.1-52.4-86.3000114.6K36 A40 V46 K73 N77K36-F75 HydrophobicContact CD-CE2 4.32Å; K36-F75 HydrophobicContact CG-CE2 3.87Å; A40-F75 HydrophobicContact CB-CB 4.29Å; A40-F75 HydrophobicContact CB-CD2 4Å; V46-F75 WeakPolarHBondContact CB-O 3.49Å; V46-F75 HydrophobicContact CG2-CB 4.5Å; K73-F75 WeakPolarHBondContact O-CE2 3.29Å; F75-N77 PolarHBondContact O-N 2.82Å; F75-N77 PolarHBondContact O-OD1 2.9Å
76I98.8Very high97.7Very high8 Ų817.9 Ų17.94%0.0419%0.09CC..EExtended strand (participates in β ladder)trans-58.3129.4176.9-60.3158.6000109.3F11 V46 F48 M71 M74 C78 F102F11-I76 HydrophobicContact CE1-CG1 4.24Å; F11-I76 HydrophobicContact CZ-CD1 3.94Å; F11-I76 HydrophobicContact CZ-CG1 3.99Å; V46-I76 HydrophobicContact CG1-CG1 4.16Å; F48-I76 HydrophobicContact CB-CD1 4.34Å; F48-I76 HydrophobicContact CB-CG1 4.45Å; F48-I76 HydrophobicContact CB-CG2 4.09Å; M71-I76 HydrophobicContact CB-CD1 4.17Å; M71-I76 HydrophobicContact CE-CD1 3.5Å; M71-I76 VanDerWaalsContact CE-CD1 3.5Å; M71-I76 HydrophobicContact SD-CD1 4.32Å; M74-I76 VanDerWaalsContact C-N 3.27Å; M74-I76 HydrophobicContact CB-CD1 4.38Å; M74-I76 HydrophobicContact CB-CG1 4.22Å; M74-I76 PolarHBondContact O-N 2.7Å; I76-C78 WeakPolarHBondContact CG2-O 3.35Å; I76-F102 HydrophobicContact CB-CB 4.13Å; I76-F102 HydrophobicContact CB-CD1 3.83Å; I76-F102 HydrophobicContact CB-CD2 3.99Å; I76-F102 HydrophobicContact CB-CE1 4.23Å; I76-F102 HydrophobicContact CB-CE2 4.32Å; I76-F102 HydrophobicContact CB-CG 3.72Å; I76-F102 HydrophobicContact CB-CZ 4.45Å; I76-F102 HydrophobicContact CD1-CD1 4.15Å; I76-F102 HydrophobicContact CD1-CD2 4.5Å; I76-F102 HydrophobicContact CD1-CE1 3.65Å; I76-F102 HydrophobicContact CD1-CE2 3.99Å; I76-F102 HydrophobicContact CD1-CZ 3.55Å; I76-F102 HydrophobicContact CG2-CB 4.13Å; I76-F102 HydrophobicContact CG2-CD1 4.32Å; I76-F102 HydrophobicContact CG2-CD2 3.54Å; I76-F102 HydrophobicContact CG2-CE2 3.94Å; I76-F102 HydrophobicContact CG2-CG 3.75Å; I76-F102 WeakPolarHBondContact O-CB 3.41Å
77N98.5Very high97.6Very high66 Ų6620 Ų2035%0.35310%0.101SC..EExtended strand (participates in β ladder)trans-95.4-28.1179.1-65.3105.5000112.5I45 V46 F75 P103 M127I45-N77 VanDerWaalsContact CA-OD1 3.32Å; I45-N77 WeakPolarHBondContact CA-OD1 3.49Å; I45-N77 HydrophobicContact CG2-CB 3.93Å; V46-N77 PolarHBondContact N-OD1 2.9Å; V46-N77 PolarHBondContact O-N 3.23Å; F75-N77 PolarHBondContact O-N 2.82Å; F75-N77 PolarHBondContact O-OD1 2.9Å; N77-P103 VanDerWaalsContact O-CD 3.31Å; N77-P103 WeakPolarHBondContact O-CD 3.47Å; N77-P103 WeakPolarHBondContact O-CG 3.17Å; N77-M127 HydrophobicContact CB-CE 3.92Å
78C98.6Very high97.4Very high0 Ų021.9 Ų21.90%011%0.11CC..EExtended strand (participates in β ladder)trans-161.3146.3175.2-174.20000109.6L47 F48 I76 P103 Q125 M127 I136L47-C78 HydrophobicContact CD2-CB 3.83Å; F48-C78 PolarHBondContact N-O 3.34Å; I76-C78 WeakPolarHBondContact CG2-O 3.35Å; C78-P103 HydrophobicContact CB-CG 4.44Å; C78-Q125 HydrophobicContact CB-CG 4.44Å; C78-M127 HydrophobicContact CB-CE 4Å; C78-I136 HydrophobicContact CB-CD1 3.96Å
79S98.7Very high97.1Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-138.3146.2179.7-179.50000112.4F48 P103 W104 I105F48-S79 WeakPolarHBondContact CD1-OG 3.43Å; F48-S79 CarbonylContact O-C 3.6Å; F48-S79 WeakPolarHBondContact O-CA 3.34Å; F48-S79 PolarHBondContact O-OG 2.81Å; F48-S79 VanDerWaalsContact O-OG 3.1Å; S79-P103 PolarHBondContact N-O 2.78Å; S79-W104 CarbonylContact O-C 3.53Å; S79-W104 VanDerWaalsContact O-CA 3.27Å; S79-W104 WeakPolarHBondContact O-CA 3.42Å; S79-W104 VanDerWaalsContact OG-CE3 3.27Å; S79-W104 WeakPolarHBondContact OG-CZ3 3.45Å; S79-I105 WeakPolarHBondContact O-CG1 3.36Å; S79-I105 PolarHBondContact O-N 3.38Å
80L98.7Very high96.8Very high0 Ų024 Ų240%012%0.122CC..EExtended strand (participates in β ladder)trans-99.3146.6158.1171.962.6000108F48 S49 G50 I105 L139 I140 L184 H186F48-L80 PolarHBondContact O-N 2.78Å; S49-L80 CarbonylContact C-O 3.55Å; G50-L80 WeakPolarHBondContact CA-O 3.47Å; G50-L80 PolarHBondContact N-O 2.85Å; L80-I105 WeakPolarHBondContact CD1-O 3.5Å; L80-L139 WeakPolarHBondContact CD2-O 3.38Å; L80-I140 HydrophobicContact CD1-CD1 3.95Å; L80-I140 HydrophobicContact CD1-CG1 4Å; L80-I140 HydrophobicContact CD2-CG1 4.42Å; L80-L184 HydrophobicContact CB-CB 3.74Å; L80-L184 HydrophobicContact CB-CD1 4.27Å; L80-L184 HydrophobicContact CD2-CB 4.26Å; L80-L184 VanDerWaalsContact CD2-O 3.32Å; L80-L184 WeakPolarHBondContact CD2-O 3.31Å; L80-H186 HydrophobicContact CD2-CB 3.98Å
81F97.5Very high96.6Very high0 Ų030.7 Ų30.70%016%0.158CC..  trans-86.8150.9168.651.1-102.3000111.3E85 F86 F93 W104 N106 L118 T120 I140 W144F81-E85 WeakPolarHBondContact CA-OE2 3.34Å; F81-E85 HydrophobicContact CB-CB 4.04Å; F81-E85 HydrophobicContact CB-CG 3.78Å; F81-F86 AromaticContact CD2-CE2 3.57Å; F81-F86 HydrophobicContact CD2-CE2 3.57Å; F81-F86 AromaticContact CD2-CZ 3.59Å; F81-F86 HydrophobicContact CD2-CZ 3.59Å; F81-F86 AromaticContact CE2-CE2 3.76Å; F81-F86 HydrophobicContact CE2-CE2 3.76Å; F81-F86 AromaticContact CE2-CZ 3.46Å; F81-F86 HydrophobicContact CE2-CZ 3.46Å; F81-F86 VanDerWaalsContact CE2-CZ 3.46Å; F81-F86 HydrophobicContact CG-CZ 4.37Å; F81-F86 HydrophobicContact CZ-CZ 4.16Å; F81-F93 HydrophobicContact CB-CE2 4.17Å; F81-F93 HydrophobicContact CD1-CE2 4.16Å; F81-F93 AromaticContact CD1-CZ 3.89Å; F81-F93 HydrophobicContact CD1-CZ 3.89Å; F81-F93 HydrophobicContact CE1-CZ 4.13Å; F81-F93 HydrophobicContact CG-CE2 4.12Å; F81-F93 HydrophobicContact CG-CZ 4.26Å; F81-W104 HydrophobicContact CB-CE3 3.79Å; F81-W104 HydrophobicContact CB-CZ3 3.84Å; F81-W104 HydrophobicContact CD1-CE3 4.43Å; F81-N106 HydrophobicContact CE1-CB 3.66Å; F81-N106 HydrophobicContact CE2-CB 4.38Å; F81-N106 HydrophobicContact CZ-CB 3.43Å; F81-N106 VanDerWaalsContact CZ-CB 3.43Å; F81-L118 VanDerWaalsContact CZ-O 3.31Å; F81-L118 WeakPolarHBondContact CZ-O 3.4Å; F81-T120 HydrophobicContact CE1-CG2 4.19Å; F81-I140 HydrophobicContact CD2-CD1 3.96Å; F81-I140 HydrophobicContact CE2-CD1 3.41Å; F81-I140 VanDerWaalsContact CE2-CD1 3.41Å; F81-I140 HydrophobicContact CZ-CD1 4.13Å; F81-W144 HydrophobicContact CD2-CH2 4.08Å; F81-W144 HydrophobicContact CD2-CZ3 4.12Å; F81-W144 HydrophobicContact CE2-CH2 4.48Å; F81-W144 HydrophobicContact CE2-CZ3 4.17Å; F81-W144 WeakPolarHBondContact O-CH2 3.34Å
82G96.8Very high96.4Very high0 Ų032 Ų320%016%0.164CC..  trans-98.1-175.8172.400000112.2D51 H84 E85 F86 W144 H186D51-G82 WeakPolarHBondContact OD1-CA 3.46Å; G82-H84 VanDerWaalsContact C-N 3.29Å; G82-H84 PolarHBondContact O-N 3.23Å; G82-E85 PolarHBondContact N-OE2 3.14Å; G82-F86 WeakPolarHBondContact O-CE2 3.49Å; G82-W144 VanDerWaalsContact O-CH2 3.27Å; G82-W144 WeakPolarHBondContact O-CH2 3.34Å; G82-H186 VanDerWaalsContact CA-CD2 3.45Å; G82-H186 WeakPolarHBondContact CA-CD2 3.35Å
83N95.8Very high96.3Very high7 Ų730.2 Ų30.24%0.03716%0.155CC..G310 helixtrans-71.4-28.3-176.555.7-83.2000111.7D51 E85 F86 W144 V147 I148 H209D51-N83 PolarHBondContact OD1-N 3Å; N83-E85 VanDerWaalsContact C-N 3.25Å; N83-E85 PolarHBondContact O-N 3.1Å; N83-F86 WeakPolarHBondContact O-CD2 3.32Å; N83-F86 PolarHBondContact O-N 2.75Å; N83-W144 HydrophobicContact CB-CD2 3.82Å; N83-W144 HydrophobicContact CB-CE3 4.21Å; N83-W144 HydrophobicContact CB-CG 4.3Å; N83-W144 HydrophobicContact CB-CH2 4.43Å; N83-W144 HydrophobicContact CB-CZ2 4.03Å; N83-W144 VanDerWaalsContact N-CH2 3.28Å; N83-V147 HydrophobicContact CB-CG2 4.4Å; N83-I148 HydrophobicContact CB-CD1 3.76Å; N83-I148 HydrophobicContact CB-CG1 3.88Å; N83-H209 PolarHBondContact OD1-CE1 2.9Å; N83-H209 PolarHBondContact OD1-ND1 2.62Å
84H95.8Very high96.2Very high18 Ų1829.6 Ų29.68%0.08315%0.153CC..G310 helixtrans-80.4-5.7-176.6-72.1-59.4000113.9D51 S54 G82 F86 D87 R352 Y373D51-H84 WeakPolarHBondContact OD1-CB 3.35Å; D51-H84 IonicContact OD1-CD2 3.68Å; D51-H84 IonicContact OD1-CG 2.72Å; D51-H84 PolarHBondContact OD1-N 3.01Å; D51-H84 IonicContact OD2-CD2 3.41Å; D51-H84 PolarHBondContact OD2-CD2 2.81Å; D51-H84 IonicContact OD2-CG 2.8Å; S54-H84 WeakPolarHBondContact CB-O 3.12Å; S54-H84 WeakPolarHBondContact O-CB 3.35Å; G82-H84 VanDerWaalsContact C-N 3.29Å; G82-H84 PolarHBondContact O-N 3.23Å; H84-F86 PolarHBondContact O-N 2.99Å; H84-D87 IonicContact CE1-OD2 3.53Å; H84-D87 IonicContact CG-OD2 3.83Å; H84-D87 IonicContact ND1-OD1 3.38Å; H84-D87 PolarHBondContact ND1-OD1 2.95Å; H84-D87 IonicContact ND1-OD2 2.91Å; H84-D87 PolarHBondContact ND1-OD2 2.8Å; H84-D87 PolarHBondContact O-N 2.82Å; H84-R352 PolarHBondContact NE2-NH1 3.33Å; H84-Y373 PolarHBondContact CE1-OH 2.86Å; H84-Y373 VanDerWaalsContact CE1-OH 3.25Å
85E96.2Very high96.1Very high1 Ų133.1 Ų33.11%0.00517%0.17CC..G310 helixtrans-61.9-22.5166.2-9869.5-113.100112.6D51 C52 L53 F81 G82 N83 F93D51-E85 WeakPolarHBondContact CA-OE2 3.26Å; D51-E85 PolarHBondContact N-OE2 3.06Å; C52-E85 PolarHBondContact N-OE1 2.7Å; C52-E85 PolarHBondContact SG-OE1 3.27Å; L53-E85 HydrophobicContact CD1-CB 4.43Å; L53-E85 HydrophobicContact CD1-CG 3.98Å; L53-E85 HydrophobicContact CG-CG 4.03Å; L53-E85 PolarHBondContact N-OE1 3.31Å; L53-E85 VanDerWaalsContact N-OE1 3.07Å; F81-E85 WeakPolarHBondContact CA-OE2 3.34Å; F81-E85 HydrophobicContact CB-CB 4.04Å; F81-E85 HydrophobicContact CB-CG 3.78Å; G82-E85 PolarHBondContact N-OE2 3.14Å; N83-E85 VanDerWaalsContact C-N 3.25Å; N83-E85 PolarHBondContact O-N 3.1Å; E85-F93 HydrophobicContact CB-CD2 3.7Å; E85-F93 HydrophobicContact CB-CE2 3.85Å; E85-F93 HydrophobicContact CG-CD2 4.15Å; E85-F93 HydrophobicContact CG-CE2 4.1Å
86F95.6Very high96.2Very high5 Ų529 Ų292%0.02215%0.152CC..G310 helixtrans-98.6-2.7-175.6-57.2-76.2000114.7F81 G82 N83 H84 F88 G89 M90 F93 L118 W144 I148 F151F81-F86 AromaticContact CD2-CE2 3.57Å; F81-F86 HydrophobicContact CD2-CE2 3.57Å; F81-F86 AromaticContact CD2-CZ 3.59Å; F81-F86 HydrophobicContact CD2-CZ 3.59Å; F81-F86 AromaticContact CE2-CE2 3.76Å; F81-F86 HydrophobicContact CE2-CE2 3.76Å; F81-F86 AromaticContact CE2-CZ 3.46Å; F81-F86 HydrophobicContact CE2-CZ 3.46Å; F81-F86 VanDerWaalsContact CE2-CZ 3.46Å; F81-F86 HydrophobicContact CG-CZ 4.37Å; F81-F86 HydrophobicContact CZ-CZ 4.16Å; G82-F86 WeakPolarHBondContact O-CE2 3.49Å; N83-F86 WeakPolarHBondContact O-CD2 3.32Å; N83-F86 PolarHBondContact O-N 2.75Å; H84-F86 PolarHBondContact O-N 2.99Å; F86-F88 PolarHBondContact O-N 2.9Å; F86-G89 PolarHBondContact O-N 2.89Å; F86-M90 HydrophobicContact CD1-SD 3.43Å; F86-M90 WeakPolarHBondContact CD1-SD 3.07Å; F86-M90 HydrophobicContact CE1-CE 4.11Å; F86-M90 HydrophobicContact CE1-SD 3.54Å; F86-M90 VanDerWaalsContact CE1-SD 3.54Å; F86-F93 HydrophobicContact CD1-CD2 4.42Å; F86-F93 HydrophobicContact CD1-CG 4.27Å; F86-F93 HydrophobicContact CE1-CD1 4.11Å; F86-F93 HydrophobicContact CE1-CD2 4.1Å; F86-F93 HydrophobicContact CE1-CE1 4.22Å; F86-F93 HydrophobicContact CE1-CE2 4.15Å; F86-F93 HydrophobicContact CE1-CG 4.04Å; F86-F93 HydrophobicContact CE1-CZ 4.21Å; F86-F93 HydrophobicContact CZ-CD2 4.48Å; F86-F93 HydrophobicContact CZ-CE2 4.16Å; F86-F93 HydrophobicContact CZ-CZ 4.27Å; F86-L118 HydrophobicContact CE1-CD2 4.22Å; F86-L118 HydrophobicContact CZ-CD2 4.07Å; F86-W144 HydrophobicContact CD2-CZ3 4.37Å; F86-W144 AromaticContact CE2-CZ3 3.77Å; F86-W144 HydrophobicContact CE2-CZ3 3.77Å; F86-I148 HydrophobicContact CB-CG2 3.87Å; F86-I148 HydrophobicContact CD2-CD1 3.95Å; F86-F151 HydrophobicContact CB-CZ 4.48Å; F86-F151 HydrophobicContact CD1-CE1 4.16Å; F86-F151 AromaticContact CD1-CZ 3.82Å; F86-F151 HydrophobicContact CD1-CZ 3.82Å; F86-F151 HydrophobicContact CD2-CE2 4.45Å; F86-F151 AromaticContact CD2-CZ 3.91Å; F86-F151 HydrophobicContact CD2-CZ 3.91Å; F86-F151 AromaticContact CE1-CZ 3.98Å; F86-F151 HydrophobicContact CE1-CZ 3.98Å; F86-F151 HydrophobicContact CE2-CZ 4.09Å; F86-F151 HydrophobicContact CG-CE1 4.28Å; F86-F151 AromaticContact CG-CZ 3.78Å; F86-F151 HydrophobicContact CG-CZ 3.78Å; F86-F151 HydrophobicContact CZ-CZ 4.11Å
87D93.8Very high96Very high53 Ų5329.3 Ų29.328%0.28315%0.154SC..THydrogen-bonded Turntrans-56.4-29.3-174.2-79.63.1000113.3S54 H84S54-D87 WeakPolarHBondContact CB-OD2 3.4Å; S54-D87 PolarHBondContact OG-OD2 3.03Å; H84-D87 IonicContact CE1-OD2 3.53Å; H84-D87 IonicContact CG-OD2 3.83Å; H84-D87 IonicContact ND1-OD1 3.38Å; H84-D87 PolarHBondContact ND1-OD1 2.95Å; H84-D87 IonicContact ND1-OD2 2.91Å; H84-D87 PolarHBondContact ND1-OD2 2.8Å; H84-D87 PolarHBondContact O-N 2.82Å
88F93.5Very high95.9Very high43 Ų4331.7 Ų31.719%0.18917%0.166CC..THydrogen-bonded Turntrans-102.510.6179.7-53-58.6000113.9S59 H63 F86 I92S59-F88 WeakPolarHBondContact O-CZ 3.46Å; H63-F88 VanDerWaalsContact C-CD2 3.45Å; H63-F88 HydrophobicContact CB-CB 4.12Å; H63-F88 HydrophobicContact CB-CD1 4.13Å; H63-F88 HydrophobicContact CB-CD2 4.07Å; H63-F88 HydrophobicContact CB-CG 3.83Å; H63-F88 AromaticContact CD2-CD1 3.79Å; F86-F88 PolarHBondContact O-N 2.9Å; F88-I92 HydrophobicContact CB-CB 3.87Å; F88-I92 HydrophobicContact CB-CG1 4.05Å; F88-I92 HydrophobicContact CB-CG2 3.75Å; F88-I92 HydrophobicContact CD2-CG2 4.49Å; F88-I92 WeakPolarHBondContact O-CG1 3.42Å
89G92.9Very high95.9Very high25 Ų2535.9 Ų35.926%0.25819%0.186SC..  trans86.4164.6-179.100000114.5F86 D91 I92 F93F86-G89 PolarHBondContact O-N 2.89Å; G89-D91 PolarHBondContact O-N 3.33Å; G89-I92 PolarHBondContact O-N 3.13Å; G89-F93 PolarHBondContact O-N 3.3Å
90M91.3Very high95.9Very high66 Ų6636.9 Ų36.933%0.32519%0.193SC..Hα-helixtrans-62.1-37.1-172.5-69.3-59.8-61.400113.8F86 I92 F93 Q94 L118 F151F86-M90 HydrophobicContact CD1-SD 3.43Å; F86-M90 WeakPolarHBondContact CD1-SD 3.07Å; F86-M90 HydrophobicContact CE1-CE 4.11Å; F86-M90 HydrophobicContact CE1-SD 3.54Å; F86-M90 VanDerWaalsContact CE1-SD 3.54Å; M90-I92 PolarHBondContact O-N 2.83Å; M90-F93 HydrophobicContact CE-CD1 4.14Å; M90-F93 HydrophobicContact CE-CE1 4.5Å; M90-F93 WeakPolarHBondContact O-CB 3.5Å; M90-F93 PolarHBondContact O-N 2.93Å; M90-Q94 WeakPolarHBondContact O-CB 3.47Å; M90-Q94 PolarHBondContact O-N 3.5Å; M90-L118 HydrophobicContact CE-CD1 3.7Å; M90-L118 HydrophobicContact CE-CG 4.32Å; M90-L118 HydrophobicContact SD-CD1 4.28Å; M90-F151 HydrophobicContact SD-CE1 4.35Å
91D93.9Very high95.8Very high142 Ų14242.1 Ų42.176%0.75922%0.221SC*.Hα-helixtrans-64.2-43-179.4-68.2-10.6000111.5G89 Q94 E95G89-D91 PolarHBondContact O-N 3.33Å; D91-Q94 PolarHBondContact O-N 2.82Å; D91-E95 WeakPolarHBondContact O-CB 3.36Å; D91-E95 PolarHBondContact O-N 2.66Å
92I95.8Very high95.8Very high28 Ų2842.6 Ų42.614%0.14422%0.223CC..Hα-helixtrans-70.8-40.7178.7-56.6-61000110.9H63 F88 G89 M90 E95 C96H63-I92 HydrophobicContact CB-CG2 3.99Å; H63-I92 WeakPolarHBondContact O-CG2 3.44Å; F88-I92 HydrophobicContact CB-CB 3.87Å; F88-I92 HydrophobicContact CB-CG1 4.05Å; F88-I92 HydrophobicContact CB-CG2 3.75Å; F88-I92 HydrophobicContact CD2-CG2 4.49Å; F88-I92 WeakPolarHBondContact O-CG1 3.42Å; G89-I92 PolarHBondContact O-N 3.13Å; M90-I92 PolarHBondContact O-N 2.83Å; I92-E95 PolarHBondContact O-N 2.92Å; I92-C96 WeakPolarHBondContact O-CB 3.32Å; I92-C96 PolarHBondContact O-N 2.89Å; I92-C96 PolarHBondContact O-SG 3.06Å; I92-C96 VanDerWaalsContact O-SG 3.34Å
93F96.2Very high95.9Very high1 Ų144.3 Ų44.30%0.00423%0.234CC..Hα-helixtrans-53-57.7171165-98.1000110F81 E85 F86 G89 M90 E95 C96 I97 G119F81-F93 HydrophobicContact CB-CE2 4.17Å; F81-F93 HydrophobicContact CD1-CE2 4.16Å; F81-F93 AromaticContact CD1-CZ 3.89Å; F81-F93 HydrophobicContact CD1-CZ 3.89Å; F81-F93 HydrophobicContact CE1-CZ 4.13Å; F81-F93 HydrophobicContact CG-CE2 4.12Å; F81-F93 HydrophobicContact CG-CZ 4.26Å; E85-F93 HydrophobicContact CB-CD2 3.7Å; E85-F93 HydrophobicContact CB-CE2 3.85Å; E85-F93 HydrophobicContact CG-CD2 4.15Å; E85-F93 HydrophobicContact CG-CE2 4.1Å; F86-F93 HydrophobicContact CD1-CD2 4.42Å; F86-F93 HydrophobicContact CD1-CG 4.27Å; F86-F93 HydrophobicContact CE1-CD1 4.11Å; F86-F93 HydrophobicContact CE1-CD2 4.1Å; F86-F93 HydrophobicContact CE1-CE1 4.22Å; F86-F93 HydrophobicContact CE1-CE2 4.15Å; F86-F93 HydrophobicContact CE1-CG 4.04Å; F86-F93 HydrophobicContact CE1-CZ 4.21Å; F86-F93 HydrophobicContact CZ-CD2 4.48Å; F86-F93 HydrophobicContact CZ-CE2 4.16Å; F86-F93 HydrophobicContact CZ-CZ 4.27Å; G89-F93 PolarHBondContact O-N 3.3Å; M90-F93 HydrophobicContact CE-CD1 4.14Å; M90-F93 HydrophobicContact CE-CE1 4.5Å; M90-F93 WeakPolarHBondContact O-CB 3.5Å; M90-F93 PolarHBondContact O-N 2.93Å; F93-E95 VanDerWaalsContact C-N 3.33Å; F93-E95 PolarHBondContact O-N 3.33Å; F93-C96 PolarHBondContact O-N 2.88Å; F93-C96 VanDerWaalsContact O-N 3.09Å; F93-I97 HydrophobicContact CD1-CG1 4.42Å; F93-I97 HydrophobicContact CD2-CD1 4.24Å; F93-I97 HydrophobicContact CD2-CG1 3.76Å; F93-I97 HydrophobicContact CE1-CG1 4.11Å; F93-I97 HydrophobicContact CE2-CD1 3.7Å; F93-I97 HydrophobicContact CE2-CG1 3.48Å; F93-I97 VanDerWaalsContact CE2-CG1 3.48Å; F93-I97 HydrophobicContact CG-CG1 4.26Å; F93-I97 HydrophobicContact CZ-CD1 4.15Å; F93-I97 HydrophobicContact CZ-CG1 3.67Å; F93-I97 WeakPolarHBondContact O-CB 3.31Å; F93-I97 WeakPolarHBondContact O-CG1 2.83Å; F93-I97 PolarHBondContact O-N 3.27Å; F93-G119 VanDerWaalsContact CE1-CA 3.48Å
94Q95.4Very high96Very high72 Ų7244.5 Ų44.534%0.33623%0.234SC..Hα-helixtrans-60-43.3-177.4-167.563.755.600111.6M90 D91 C96 I97 D98M90-Q94 WeakPolarHBondContact O-CB 3.47Å; M90-Q94 PolarHBondContact O-N 3.5Å; D91-Q94 PolarHBondContact O-N 2.82Å; Q94-C96 VanDerWaalsContact C-N 3.33Å; Q94-C96 PolarHBondContact O-N 3.12Å; Q94-I97 PolarHBondContact O-N 3.49Å; Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 WeakPolarHBondContact O-CB 3.32Å; Q94-D98 PolarHBondContact O-N 2.81Å
95E97.7Very high96.1Very high73 Ų7343.6 Ų43.634%0.34123%0.23SC..Hα-helixtrans-58.6-42.3176.5-169.6-162.8139.200112.5R65 D91 I92 F93 Q99R65-E95 WeakPolarHBondContact CD-OE1 3.46Å; R65-E95 IonicContact CZ-OE1 3.48Å; R65-E95 IonicContact CZ-OE2 3.36Å; R65-E95 VanDerWaalsContact NE-CD 3.33Å; R65-E95 IonicContact NE-OE1 3.15Å; R65-E95 PolarHBondContact NE-OE1 3.13Å; R65-E95 IonicContact NE-OE2 2.77Å; R65-E95 PolarHBondContact NE-OE2 2.88Å; R65-E95 IonicContact NH2-OE1 3.85Å; R65-E95 IonicContact NH2-OE2 3.69Å; R65-E95 PolarHBondContact NH2-OE2 2.8Å; D91-E95 WeakPolarHBondContact O-CB 3.36Å; D91-E95 PolarHBondContact O-N 2.66Å; I92-E95 PolarHBondContact O-N 2.92Å; F93-E95 VanDerWaalsContact C-N 3.33Å; F93-E95 PolarHBondContact O-N 3.33Å; E95-Q99 WeakPolarHBondContact O-CG 3.43Å; E95-Q99 PolarHBondContact O-NE2 3.38Å
96C98.1Very high96.2Very high1 Ų143.6 Ų43.61%0.00723%0.23CC..Hα-helixtrans-69.9-42.4178.8-74.70000111.6L53 P68 I92 F93 Q94 Q99 C100L53-C96 HydrophobicContact CD1-CB 3.77Å; L53-C96 HydrophobicContact CD2-CB 3.95Å; P68-C96 HydrophobicContact CG-CB 3.95Å; P68-C96 VanDerWaalsContact CG-O 3.28Å; P68-C96 WeakPolarHBondContact CG-O 3.49Å; I92-C96 WeakPolarHBondContact O-CB 3.32Å; I92-C96 PolarHBondContact O-N 2.89Å; I92-C96 PolarHBondContact O-SG 3.06Å; I92-C96 VanDerWaalsContact O-SG 3.34Å; F93-C96 PolarHBondContact O-N 2.88Å; F93-C96 VanDerWaalsContact O-N 3.09Å; Q94-C96 VanDerWaalsContact C-N 3.33Å; Q94-C96 PolarHBondContact O-N 3.12Å; C96-Q99 WeakPolarHBondContact O-CB 3.43Å; C96-Q99 PolarHBondContact O-N 3.48Å; C96-C100 PolarHBondContact O-N 3.3Å
97I95.9Very high96.4Very high15 Ų1543.4 Ų43.48%0.07723%0.229CC..Hα-helixtrans-66.2-40.6-179.4-64.2-67.4000111.2F93 Q94 Q99 C100 W104F93-I97 HydrophobicContact CD1-CG1 4.42Å; F93-I97 HydrophobicContact CD2-CD1 4.24Å; F93-I97 HydrophobicContact CD2-CG1 3.76Å; F93-I97 HydrophobicContact CE1-CG1 4.11Å; F93-I97 HydrophobicContact CE2-CD1 3.7Å; F93-I97 HydrophobicContact CE2-CG1 3.48Å; F93-I97 VanDerWaalsContact CE2-CG1 3.48Å; F93-I97 HydrophobicContact CG-CG1 4.26Å; F93-I97 HydrophobicContact CZ-CD1 4.15Å; F93-I97 HydrophobicContact CZ-CG1 3.67Å; F93-I97 WeakPolarHBondContact O-CB 3.31Å; F93-I97 WeakPolarHBondContact O-CG1 2.83Å; F93-I97 PolarHBondContact O-N 3.27Å; Q94-I97 PolarHBondContact O-N 3.49Å; I97-Q99 PolarHBondContact O-N 2.87Å; I97-C100 VanDerWaalsContact O-CB 3.32Å; I97-C100 WeakPolarHBondContact O-CB 3.1Å; I97-C100 PolarHBondContact O-N 3.35Å; I97-W104 HydrophobicContact CD1-CD2 3.33Å; I97-W104 HydrophobicContact CD1-CE3 3.79Å; I97-W104 HydrophobicContact CD1-CG 3.73Å; I97-W104 HydrophobicContact CD1-CH2 3.98Å; I97-W104 HydrophobicContact CD1-CZ2 3.55Å; I97-W104 HydrophobicContact CD1-CZ3 4.09Å; I97-W104 HydrophobicContact CG2-CB 4.24Å; I97-W104 HydrophobicContact CG2-CG 3.89Å
98D96.6Very high96.6Very high116 Ų11640.9 Ų40.962%0.6222%0.216SC*.Hα-helixtrans-63.6-21.6176.1-71.8-9.9000112.9Q94Q94-D98 PolarHBondContact NE2-OD1 2.89Å; Q94-D98 WeakPolarHBondContact O-CB 3.32Å; Q94-D98 PolarHBondContact O-N 2.81Å
99Q98Very high96.8Very high87 Ų8739 Ų3941%0.40721%0.207SC..THydrogen-bonded Turntrans-85.8-10.3175.1-71173.464.400113.2P68 N72 E95 C96 I97P68-Q99 HydrophobicContact CB-CB 3.65Å; P68-Q99 HydrophobicContact CG-CB 4.13Å; N72-Q99 PolarHBondContact ND2-O 3.4Å; E95-Q99 WeakPolarHBondContact O-CG 3.43Å; E95-Q99 PolarHBondContact O-NE2 3.38Å; C96-Q99 WeakPolarHBondContact O-CB 3.43Å; C96-Q99 PolarHBondContact O-N 3.48Å; I97-Q99 PolarHBondContact O-N 2.87Å
100C98.1Very high97Very high22 Ų2239.7 Ų39.715%0.14920%0.203CC..  trans-79142.2176.4-68.50000111N72 C96 I97 F102N72-C100 VanDerWaalsContact OD1-CA 3.26Å; N72-C100 WeakPolarHBondContact OD1-CA 3.27Å; C96-C100 PolarHBondContact O-N 3.3Å; I97-C100 VanDerWaalsContact O-CB 3.32Å; I97-C100 WeakPolarHBondContact O-CB 3.1Å; I97-C100 PolarHBondContact O-N 3.35Å; C100-F102 VanDerWaalsContact C-N 3.31Å; C100-F102 HydrophobicContact CB-CD1 4.12Å; C100-F102 HydrophobicContact CB-CE1 3.78Å; C100-F102 HydrophobicContact CB-CE2 4.22Å; C100-F102 HydrophobicContact CB-CG 4.46Å; C100-F102 HydrophobicContact CB-CZ 3.83Å
101N97.5Very high97.2Very high110 Ų11038.4 Ų38.459%0.58820%0.197SC*.SBendtrans-94.316.4178.868.70.7000113.5N72N72-N101 PolarHBondContact O-ND2 3.43Å; N72-N101 PolarHBondContact OD1-N 2.78Å; N72-N101 PolarHBondContact OD1-OD1 2.97Å; N72-N101 VanDerWaalsContact OD1-OD1 3.1Å
102F97.8Very high97.2Very high10 Ų1036.1 Ų36.14%0.04418%0.181CC..SBendtrans-135.5149.8-177.154.8-93.6000110.5M71 I76 C100 W104M71-F102 HydrophobicContact CB-CE1 3.92Å; M71-F102 HydrophobicContact CB-CZ 3.98Å; I76-F102 HydrophobicContact CB-CB 4.13Å; I76-F102 HydrophobicContact CB-CD1 3.83Å; I76-F102 HydrophobicContact CB-CD2 3.99Å; I76-F102 HydrophobicContact CB-CE1 4.23Å; I76-F102 HydrophobicContact CB-CE2 4.32Å; I76-F102 HydrophobicContact CB-CG 3.72Å; I76-F102 HydrophobicContact CB-CZ 4.45Å; I76-F102 HydrophobicContact CD1-CD1 4.15Å; I76-F102 HydrophobicContact CD1-CD2 4.5Å; I76-F102 HydrophobicContact CD1-CE1 3.65Å; I76-F102 HydrophobicContact CD1-CE2 3.99Å; I76-F102 HydrophobicContact CD1-CZ 3.55Å; I76-F102 HydrophobicContact CG2-CB 4.13Å; I76-F102 HydrophobicContact CG2-CD1 4.32Å; I76-F102 HydrophobicContact CG2-CD2 3.54Å; I76-F102 HydrophobicContact CG2-CE2 3.94Å; I76-F102 HydrophobicContact CG2-CG 3.75Å; I76-F102 WeakPolarHBondContact O-CB 3.41Å; C100-F102 VanDerWaalsContact C-N 3.31Å; C100-F102 HydrophobicContact CB-CD1 4.12Å; C100-F102 HydrophobicContact CB-CE1 3.78Å; C100-F102 HydrophobicContact CB-CE2 4.22Å; C100-F102 HydrophobicContact CB-CG 4.46Å; C100-F102 HydrophobicContact CB-CZ 3.83Å; F102-W104 AromaticContact CD2-NE1 3.8Å; F102-W104 HydrophobicContact CE2-CD2 4.23Å; F102-W104 AromaticContact CE2-CE2 3.37Å; F102-W104 HydrophobicContact CE2-CH2 4.23Å; F102-W104 AromaticContact CE2-CZ2 3.39Å; F102-W104 HydrophobicContact CE2-CZ2 3.39Å; F102-W104 AromaticContact CE2-NE1 3.39Å; F102-W104 AromaticContact CZ-CZ2 3.7Å; F102-W104 HydrophobicContact CZ-CZ2 3.7Å
103P97.7Very high97Very high36 Ų3643.6 Ų43.623%0.23422%0.215CC..  trans-75.8137.9-17529.6-33.5000111.8N77 C78 S79 L122 Q125N77-P103 VanDerWaalsContact O-CD 3.31Å; N77-P103 WeakPolarHBondContact O-CD 3.47Å; N77-P103 WeakPolarHBondContact O-CG 3.17Å; C78-P103 HydrophobicContact CB-CG 4.44Å; S79-P103 PolarHBondContact N-O 2.78Å; P103-L122 HydrophobicContact CB-CD1 3.75Å; P103-Q125 HydrophobicContact CG-CG 4.46Å
104W98.4Very high96.9Very high10 Ų1046.4 Ų46.44%0.03824%0.235CC..EExtended strand (participates in β ladder)trans-102.1129.1170-64.380.1000109.7F48 S79 F81 I97 F102 T120F48-W104 HydrophobicContact CD1-CH2 4.15Å; F48-W104 HydrophobicContact CD1-CZ3 4.37Å; F48-W104 AromaticContact CE1-CH2 3.98Å; F48-W104 HydrophobicContact CE1-CH2 3.98Å; F48-W104 HydrophobicContact CE1-CZ3 4.29Å; S79-W104 CarbonylContact O-C 3.53Å; S79-W104 VanDerWaalsContact O-CA 3.27Å; S79-W104 WeakPolarHBondContact O-CA 3.42Å; S79-W104 VanDerWaalsContact OG-CE3 3.27Å; S79-W104 WeakPolarHBondContact OG-CZ3 3.45Å; F81-W104 HydrophobicContact CB-CE3 3.79Å; F81-W104 HydrophobicContact CB-CZ3 3.84Å; F81-W104 HydrophobicContact CD1-CE3 4.43Å; I97-W104 HydrophobicContact CD1-CD2 3.33Å; I97-W104 HydrophobicContact CD1-CE3 3.79Å; I97-W104 HydrophobicContact CD1-CG 3.73Å; I97-W104 HydrophobicContact CD1-CH2 3.98Å; I97-W104 HydrophobicContact CD1-CZ2 3.55Å; I97-W104 HydrophobicContact CD1-CZ3 4.09Å; I97-W104 HydrophobicContact CG2-CB 4.24Å; I97-W104 HydrophobicContact CG2-CG 3.89Å; F102-W104 AromaticContact CD2-NE1 3.8Å; F102-W104 HydrophobicContact CE2-CD2 4.23Å; F102-W104 AromaticContact CE2-CE2 3.37Å; F102-W104 HydrophobicContact CE2-CH2 4.23Å; F102-W104 AromaticContact CE2-CZ2 3.39Å; F102-W104 HydrophobicContact CE2-CZ2 3.39Å; F102-W104 AromaticContact CE2-NE1 3.39Å; F102-W104 AromaticContact CZ-CZ2 3.7Å; F102-W104 HydrophobicContact CZ-CZ2 3.7Å; W104-T120 WeakPolarHBondContact O-CB 3.49Å; W104-T120 PolarHBondContact O-OG1 3.36Å
105I98.6Very high96.8Very high0 Ų049 Ų490%025%0.25CS..EExtended strand (participates in β ladder)trans-116.8151.1-177.564.4169.9000111.1S79 L80 L122 Q125 I136 I137 G138 L184S79-I105 WeakPolarHBondContact O-CG1 3.36Å; S79-I105 PolarHBondContact O-N 3.38Å; L80-I105 WeakPolarHBondContact CD1-O 3.5Å; I105-L122 WeakPolarHBondContact CA-O 3.39Å; I105-L122 WeakPolarHBondContact CB-O 3.25Å; I105-L122 HydrophobicContact CG2-CB 3.96Å; I105-Q125 HydrophobicContact CG2-CB 4.18Å; I105-I136 HydrophobicContact CD1-CB 4.37Å; I105-I136 HydrophobicContact CD1-CG2 3.8Å; I105-I137 VanDerWaalsContact CD1-C 3.49Å; I105-G138 VanDerWaalsContact CD1-N 3.34Å; I105-L184 HydrophobicContact CD1-CD1 4.47Å
106N98.4Very high96.7Very high0 Ų050.6 Ų50.60%026%0.258CS..  trans-154133.8170.415731.6000106.6F81 N108 V109 L117 L118 T120 L122 P123F81-N106 HydrophobicContact CE1-CB 3.66Å; F81-N106 HydrophobicContact CE2-CB 4.38Å; F81-N106 HydrophobicContact CZ-CB 3.43Å; F81-N106 VanDerWaalsContact CZ-CB 3.43Å; N106-N108 PolarHBondContact OD1-N 2.75Å; N106-V109 PolarHBondContact ND2-O 2.82Å; N106-V109 PolarHBondContact OD1-N 2.94Å; N106-L117 VanDerWaalsContact O-CD1 3.25Å; N106-L117 WeakPolarHBondContact O-CD1 3.42Å; N106-L117 WeakPolarHBondContact O-CD2 3.39Å; N106-L118 PolarHBondContact ND2-N 3.1Å; N106-L118 PolarHBondContact ND2-O 3.38Å; N106-T120 HydrophobicContact CB-CG2 3.75Å; N106-L122 PolarHBondContact N-O 2.81Å; N106-P123 WeakPolarHBondContact O-CA 3.47Å
107S98.6Very high96.6Very high1 Ų151.7 Ų51.71%0.00726%0.264CS..SBendtrans-112.6-25.1-170.4-34.70000113.8Y110 P123 I137 G138 T164S107-Y110 PolarHBondContact O-OH 2.94Å; S107-P123 WeakPolarHBondContact CB-O 3.39Å; S107-P123 PolarHBondContact OG-O 3.38Å; S107-I137 WeakPolarHBondContact OG-CG2 3.32Å; S107-G138 WeakPolarHBondContact CB-O 3.34Å; S107-G138 PolarHBondContact N-O 3.2Å; S107-G138 PolarHBondContact OG-N 2.81Å; S107-G138 PolarHBondContact OG-O 3.42Å; S107-T164 WeakPolarHBondContact O-CG2 3.11Å
108N98.3Very high96.6Very high1 Ų151.4 Ų51.41%0.00526%0.262CS..SBendtrans-128.2-8.1-166.274.2-52.3000115N106 Y110 L139 I140 K159 T164N106-N108 PolarHBondContact OD1-N 2.75Å; N108-Y110 WeakPolarHBondContact O-CD2 3.43Å; N108-L139 HydrophobicContact CB-CD2 3.94Å; N108-I140 PolarHBondContact ND2-O 3.07Å; N108-I140 PolarHBondContact OD1-N 2.91Å; N108-K159 HydrophobicContact CB-CB 4.27Å; N108-K159 PolarHBondContact ND2-O 2.98Å; N108-K159 PolarHBondContact O-N 2.89Å; N108-T164 HydrophobicContact CB-CG2 3.93Å
109V97.5Very high96.4Very high2 Ų246.5 Ų46.51%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-102.7126.1177.3-173.60000110.1N106 L118 I140 I156 V158N106-V109 PolarHBondContact ND2-O 2.82Å; N106-V109 PolarHBondContact OD1-N 2.94Å; V109-L118 HydrophobicContact CB-CB 4.35Å; V109-L118 HydrophobicContact CG1-CB 3.93Å; V109-L118 HydrophobicContact CG1-CD2 3.71Å; V109-L118 HydrophobicContact CG1-CG 4.48Å; V109-L118 PolarHBondContact O-N 3.42Å; V109-I140 HydrophobicContact CG2-CB 3.64Å; V109-I140 HydrophobicContact CG2-CD1 3.84Å; V109-I140 HydrophobicContact CG2-CG1 4.34Å; V109-I140 HydrophobicContact CG2-CG2 3.68Å; V109-I156 HydrophobicContact CG1-CG2 3.56Å; V109-V158 HydrophobicContact CG1-CG2 4.35Å; V109-V158 HydrophobicContact CG2-CG1 4.21Å; V109-V158 HydrophobicContact CG2-CG2 4.28Å
110Y97Very high96.3Very high41 Ų4143.5 Ų43.516%0.16123%0.227CC..EExtended strand (participates in β ladder)trans-122.8145-176.6-65.1-105.3000110.3S107 N108 E116 L117 D157 K159S107-Y110 PolarHBondContact O-OH 2.94Å; N108-Y110 WeakPolarHBondContact O-CD2 3.43Å; Y110-E116 CarbonylContact C-O 3.54Å; Y110-E116 VanDerWaalsContact CA-O 3.24Å; Y110-E116 WeakPolarHBondContact CA-O 3.2Å; Y110-E116 WeakPolarHBondContact CB-O 3.33Å; Y110-L117 HydrophobicContact CD1-CD2 4.18Å; Y110-L117 HydrophobicContact CD1-CG 4.36Å; Y110-L117 HydrophobicContact CD2-CD2 4.22Å; Y110-L117 HydrophobicContact CE1-CD2 3.73Å; Y110-L117 HydrophobicContact CE1-CG 3.89Å; Y110-L117 HydrophobicContact CE2-CD2 3.73Å; Y110-L117 HydrophobicContact CG-CD2 4.4Å; Y110-L117 VanDerWaalsContact CZ-CD2 3.45Å; Y110-D157 PolarHBondContact N-O 2.77Å; Y110-D157 PolarHBondContact O-N 2.72Å; Y110-K159 HydrophobicContact CD2-CD 3.99Å; Y110-K159 HydrophobicContact CD2-CG 4.04Å; Y110-K159 HydrophobicContact CE2-CD 3.48Å; Y110-K159 VanDerWaalsContact CE2-CD 3.48Å; Y110-K159 HydrophobicContact CE2-CG 3.93Å; Y110-K159 VanDerWaalsContact CZ-NZ 3.27Å; Y110-K159 PolarHBondContact OH-NZ 3.16Å
111D95.1Very high96.1Very high39 Ų3949.9 Ų49.921%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-77.6125.3162.1169.452.8000109E113 S114 N115 E116 L118D111-E113 VanDerWaalsContact C-N 3.32Å; D111-E113 PolarHBondContact O-N 2.84Å; D111-S114 WeakPolarHBondContact CB-OG 3.16Å; D111-S114 VanDerWaalsContact OD2-CB 3.24Å; D111-S114 WeakPolarHBondContact OD2-CB 3.45Å; D111-S114 PolarHBondContact OD2-N 3.07Å; D111-S114 PolarHBondContact OD2-OG 2.87Å; D111-N115 WeakPolarHBondContact O-CA 3.49Å; D111-N115 PolarHBondContact O-N 3.47Å; D111-E116 PolarHBondContact N-O 3.12Å; D111-L118 HydrophobicContact CB-CD1 4.39Å
112K94.2Very high96.1Very high94 Ų9447.8 Ų47.841%0.40924%0.243SC..THydrogen-bonded Turntrans-71.4-27.6-176-77.9-175.4170.1178.40113.2L153 N155 I156 D157K112-L153 PolarHBondContact NZ-O 2.89Å; K112-N155 WeakPolarHBondContact CB-O 3.45Å; K112-N155 PolarHBondContact N-O 2.58Å; K112-I156 WeakPolarHBondContact CE-O 3.35Å; K112-D157 HydrophobicContact CD-CB 4.33Å; K112-D157 VanDerWaalsContact CE-CB 3.49Å; K112-D157 HydrophobicContact CG-CB 3.81Å
113E92.6Very high96.1Very high185 Ų18549.1 Ų49.186%0.86425%0.253SS*.THydrogen-bonded Turntrans-73.2-50.7-177.8-174.6174.2175.600111D111D111-E113 VanDerWaalsContact C-N 3.32Å; D111-E113 PolarHBondContact O-N 2.84Å
114S93.2Very high96.1Very high60 Ų6050.1 Ų50.142%0.4225%0.252SS..THydrogen-bonded Turntrans-81-22.6177.761.90000113.8D111 E116D111-S114 WeakPolarHBondContact CB-OG 3.16Å; D111-S114 VanDerWaalsContact OD2-CB 3.24Å; D111-S114 WeakPolarHBondContact OD2-CB 3.45Å; D111-S114 PolarHBondContact OD2-N 3.07Å; D111-S114 PolarHBondContact OD2-OG 2.87Å; S114-E116 PolarHBondContact O-N 2.94Å; S114-E116 PolarHBondContact OG-N 3.09Å
115N93.6Very high96.1Very high125 Ų12552.1 Ų52.167%0.66826%0.262SS*.  trans58.126.3-168.2-17056.2000112.8D111D111-N115 WeakPolarHBondContact O-CA 3.49Å; D111-N115 PolarHBondContact O-N 3.47Å
116E95.7Very high96.1Very high107 Ų10754.2 Ų54.250%0.527%0.272SS..SBendtrans-101.1163.2173.4-62.4-170169.600111.1Y110 D111 S114 L118Y110-E116 CarbonylContact C-O 3.54Å; Y110-E116 VanDerWaalsContact CA-O 3.24Å; Y110-E116 WeakPolarHBondContact CA-O 3.2Å; Y110-E116 WeakPolarHBondContact CB-O 3.33Å; D111-E116 PolarHBondContact N-O 3.12Å; S114-E116 PolarHBondContact O-N 2.94Å; S114-E116 PolarHBondContact OG-N 3.09Å; E116-L118 PolarHBondContact O-N 3.19Å
117L96.6Very high96Very high25 Ų2555.6 Ų55.613%0.13128%0.279CS..BIsolated β-bridgetrans-63.4135.9172.3-80.4167.1000109.9N106 Y110 G119 T120 P123N106-L117 VanDerWaalsContact O-CD1 3.25Å; N106-L117 WeakPolarHBondContact O-CD1 3.42Å; N106-L117 WeakPolarHBondContact O-CD2 3.39Å; Y110-L117 HydrophobicContact CD1-CD2 4.18Å; Y110-L117 HydrophobicContact CD1-CG 4.36Å; Y110-L117 HydrophobicContact CD2-CD2 4.22Å; Y110-L117 HydrophobicContact CE1-CD2 3.73Å; Y110-L117 HydrophobicContact CE1-CG 3.89Å; Y110-L117 HydrophobicContact CE2-CD2 3.73Å; Y110-L117 HydrophobicContact CG-CD2 4.4Å; Y110-L117 VanDerWaalsContact CZ-CD2 3.45Å; L117-G119 PolarHBondContact O-N 2.93Å; L117-T120 WeakPolarHBondContact CB-O 3.27Å; L117-T120 VanDerWaalsContact O-O 3.13Å; L117-P123 HydrophobicContact CD1-CB 3.74Å; L117-P123 HydrophobicContact CD1-CG 4.29Å
118L95.1Very high95.8Very high9 Ų961.3 Ų61.35%0.04731%0.309CS..THydrogen-bonded Turntrans-65.9126.4-179.5-174.771.1000110.2F81 F86 M90 N106 V109 D111 E116 T120 F151 I156F81-L118 VanDerWaalsContact CZ-O 3.31Å; F81-L118 WeakPolarHBondContact CZ-O 3.4Å; F86-L118 HydrophobicContact CE1-CD2 4.22Å; F86-L118 HydrophobicContact CZ-CD2 4.07Å; M90-L118 HydrophobicContact CE-CD1 3.7Å; M90-L118 HydrophobicContact CE-CG 4.32Å; M90-L118 HydrophobicContact SD-CD1 4.28Å; N106-L118 PolarHBondContact ND2-N 3.1Å; N106-L118 PolarHBondContact ND2-O 3.38Å; V109-L118 HydrophobicContact CB-CB 4.35Å; V109-L118 HydrophobicContact CG1-CB 3.93Å; V109-L118 HydrophobicContact CG1-CD2 3.71Å; V109-L118 HydrophobicContact CG1-CG 4.48Å; V109-L118 PolarHBondContact O-N 3.42Å; D111-L118 HydrophobicContact CB-CD1 4.39Å; E116-L118 PolarHBondContact O-N 3.19Å; L118-T120 PolarHBondContact O-N 2.67Å; L118-T120 VanDerWaalsContact O-N 3.1Å; L118-F151 HydrophobicContact CD2-CE1 4.09Å; L118-F151 HydrophobicContact CD2-CE2 3.77Å; L118-F151 HydrophobicContact CD2-CZ 3.36Å; L118-I156 HydrophobicContact CD1-CD1 3.93Å; L118-I156 HydrophobicContact CD2-CD1 4.13Å
119G93Very high95.5Very high12 Ų1263 Ų6312%0.12432%0.316CS..THydrogen-bonded Turntrans72.1-4.1169.400000116.8F93 L117F93-G119 VanDerWaalsContact CE1-CA 3.48Å; L117-G119 PolarHBondContact O-N 2.93Å
120T95.5Very high95Very high25 Ų2566.8 Ų66.815%0.15334%0.337CS..  trans-162.7155.1179.3-179.30000110.8F81 W104 N106 L117 L118 L122F81-T120 HydrophobicContact CE1-CG2 4.19Å; W104-T120 WeakPolarHBondContact O-CB 3.49Å; W104-T120 PolarHBondContact O-OG1 3.36Å; N106-T120 HydrophobicContact CB-CG2 3.75Å; L117-T120 WeakPolarHBondContact CB-O 3.27Å; L117-T120 VanDerWaalsContact O-O 3.13Å; L118-T120 PolarHBondContact O-N 2.67Å; L118-T120 VanDerWaalsContact O-N 3.1Å; T120-L122 PolarHBondContact OG1-N 3.11Å; T120-L122 VanDerWaalsContact OG1-N 3.11Å
121Q94.2Very high94.5Very high156 Ų15670.4 Ų70.473%0.72936%0.359SS*.SBendtrans-95.54.4171.9-64.3-178.9-9.800112.7P123Q121-P123 WeakPolarHBondContact O-CD 3.28Å
122L97Very high94.4Very high66 Ų6668.6 Ų68.635%0.34635%0.349SS..  trans-101.696.3-174.4-59.6177000111.2P103 I105 N106 T120 Y124P103-L122 HydrophobicContact CB-CD1 3.75Å; I105-L122 WeakPolarHBondContact CA-O 3.39Å; I105-L122 WeakPolarHBondContact CB-O 3.25Å; I105-L122 HydrophobicContact CG2-CB 3.96Å; N106-L122 PolarHBondContact N-O 2.81Å; T120-L122 PolarHBondContact OG1-N 3.11Å; T120-L122 VanDerWaalsContact OG1-N 3.11Å; L122-Y124 PolarHBondContact O-N 3.15Å
123P97.5Very high94.5Very high38 Ų3866.7 Ų66.725%0.24734%0.341CS..SBendtrans-65.5-24.4174.123-32.4000113.5N106 S107 L117 Q121N106-P123 WeakPolarHBondContact O-CA 3.47Å; S107-P123 WeakPolarHBondContact CB-O 3.39Å; S107-P123 PolarHBondContact OG-O 3.38Å; L117-P123 HydrophobicContact CD1-CB 3.74Å; L117-P123 HydrophobicContact CD1-CG 4.29Å; Q121-P123 WeakPolarHBondContact O-CD 3.28Å
124Y98.5Very high94.7Very high57 Ų5757.9 Ų57.922%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-160.5163.4-178.458.1-100.3000108.9L122 I126 I136 L168 Y171 L172L122-Y124 PolarHBondContact O-N 3.15Å; Y124-I126 HydrophobicContact CD2-CD1 4.36Å; Y124-I126 HydrophobicContact CD2-CG1 4.03Å; Y124-I126 HydrophobicContact CE2-CD1 3.93Å; Y124-I126 HydrophobicContact CE2-CG1 4.08Å; Y124-I136 CarbonylContact C-O 3.47Å; Y124-I136 WeakPolarHBondContact CA-O 3.47Å; Y124-I136 WeakPolarHBondContact CB-O 3.36Å; Y124-L168 HydrophobicContact CD1-CD2 3.94Å; Y124-L168 HydrophobicContact CE1-CD2 4.36Å; Y124-Y171 HydrophobicContact CE1-CD1 4.16Å; Y124-Y171 AromaticContact CE1-CE1 3.71Å; Y124-Y171 HydrophobicContact CE1-CE1 3.71Å; Y124-Y171 HydrophobicContact CE2-CE1 4.29Å; Y124-Y171 AromaticContact CZ-CE1 3.5Å; Y124-Y171 VanDerWaalsContact OH-CE1 3.26Å; Y124-Y171 WeakPolarHBondContact OH-CE1 3.37Å; Y124-Y171 PolarHBondContact OH-OH 3.15Å; Y124-L172 HydrophobicContact CD2-CD2 3.84Å; Y124-L172 HydrophobicContact CE2-CD2 4.2Å; Y124-L172 HydrophobicContact CG-CD2 4.16Å
125Q98.3Very high94.9Very high52 Ų5255 Ų5524%0.24328%0.28CS..EExtended strand (participates in β ladder)trans-118.1141.3170.4-176.663.517.900109.7C78 P103 I105 M127 G135 I136C78-Q125 HydrophobicContact CB-CG 4.44Å; P103-Q125 HydrophobicContact CG-CG 4.46Å; I105-Q125 HydrophobicContact CG2-CB 4.18Å; Q125-M127 HydrophobicContact CG-CE 4.12Å; Q125-G135 CarbonylContact O-C 3.47Å; Q125-G135 WeakPolarHBondContact O-CA 3.47Å; Q125-I136 HydrophobicContact CB-CB 4.36Å; Q125-I136 PolarHBondContact N-O 3.38Å; Q125-I136 PolarHBondContact O-N 3.35Å
126I98.3Very high95.2Very high43 Ų4349.1 Ų49.122%0.22125%0.248CC..EExtended strand (participates in β ladder)trans-115.6130168.2-63.6174.4000107.8Y124 K133 I134 L172 Q176Y124-I126 HydrophobicContact CD2-CD1 4.36Å; Y124-I126 HydrophobicContact CD2-CG1 4.03Å; Y124-I126 HydrophobicContact CE2-CD1 3.93Å; Y124-I126 HydrophobicContact CE2-CG1 4.08Å; I126-K133 HydrophobicContact CG2-CD 4.25Å; I126-K133 HydrophobicContact CG2-CG 3.79Å; I126-I134 WeakPolarHBondContact CA-O 3.15Å; I126-L172 HydrophobicContact CD1-CD2 3.87Å; I126-L172 HydrophobicContact CG1-CD2 3.81Å; I126-Q176 HydrophobicContact CD1-CB 3.8Å; I126-Q176 HydrophobicContact CD1-CG 3.7Å
127M96.4Very high95.3Very high29 Ų2944 Ų4414%0.14322%0.224CC..EExtended strand (participates in β ladder)trans-130.1153.3174.857.7-176.56000110.9I45 N77 C78 Q125 K133 I134 I136I45-M127 HydrophobicContact CD1-SD 3.84Å; I45-M127 HydrophobicContact CG1-SD 4.44Å; I45-M127 HydrophobicContact CG2-SD 3.74Å; N77-M127 HydrophobicContact CB-CE 3.92Å; C78-M127 HydrophobicContact CB-CE 4Å; Q125-M127 HydrophobicContact CG-CE 4.12Å; M127-K133 CarbonylContact O-C 3.55Å; M127-K133 WeakPolarHBondContact O-CA 3.26Å; M127-I134 HydrophobicContact CG-CB 4.03Å; M127-I134 PolarHBondContact N-O 3.21Å; M127-I134 PolarHBondContact O-N 2.89Å; M127-I136 HydrophobicContact CE-CD1 3.43Å; M127-I136 VanDerWaalsContact CE-CD1 3.43Å; M127-I136 HydrophobicContact CG-CD1 4.46Å; M127-I136 HydrophobicContact SD-CD1 3.82Å
128I94.8Very high95.4Very high122 Ų12242.8 Ų42.863%0.62622%0.218SC*.EExtended strand (participates in β ladder)trans-115.1123.2174-59.1173.9000106.5L132 K133I128-L132 WeakPolarHBondContact CA-O 3.42Å; I128-K133 HydrophobicContact CG1-CB 4.49Å; I128-K133 HydrophobicContact CG1-CG 4.33Å
129H91.5Very high95.6Very high35 Ų3542.4 Ų42.416%0.16222%0.215CC..EExtended strand (participates in β ladder)trans-137.8122.1179.7-164.682.7000109.1L6 D43 I45 D131 L132 I134L6-H129 HydrophobicContact CD1-CB 4.26Å; L6-H129 VanDerWaalsContact CD1-CD2 3.42Å; L6-H129 WeakPolarHBondContact CD1-CD2 3.16Å; D43-H129 PolarHBondContact O-CE1 3.5Å; D43-H129 PolarHBondContact O-NE2 2.9Å; I45-H129 HydrophobicContact CD1-CB 3.78Å; I45-H129 HydrophobicContact CG1-CB 4.28Å; H129-D131 VanDerWaalsContact C-N 3.26Å; H129-D131 PolarHBondContact O-N 2.82Å; H129-L132 PolarHBondContact N-O 3Å; H129-L132 WeakPolarHBondContact O-CA 3.28Å; H129-L132 WeakPolarHBondContact O-CB 3.4Å; H129-L132 PolarHBondContact O-N 2.67Å; H129-I134 HydrophobicContact CB-CD1 4.21Å
130N86.5Confident95.8Very high83 Ų8341.8 Ų41.844%0.44421%0.21SC..THydrogen-bonded Turntrans46.850.2-173.4-62-15.6000112.3L132N130-L132 PolarHBondContact O-N 3.23Å
131D87.7Confident95.8Very high117 Ų11740.8 Ų40.863%0.62620%0.203SC*.THydrogen-bonded Turntrans59.80.2-174.8-60.2-34.5000116.7H129 K133 K262H129-D131 VanDerWaalsContact C-N 3.26Å; H129-D131 PolarHBondContact O-N 2.82Å; D131-K133 PolarHBondContact O-N 2.95Å; D131-K262 IonicContact OD2-NZ 3.45Å
132L92.4Very high95.8Very high1 Ų139.7 Ų39.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-84.4110.7171.5-62.1176.7000109.4L6 I128 H129 N130 I134 H179 Y260 K262L6-L132 HydrophobicContact CB-CD1 4.25Å; I128-L132 WeakPolarHBondContact CA-O 3.42Å; H129-L132 PolarHBondContact N-O 3Å; H129-L132 WeakPolarHBondContact O-CA 3.28Å; H129-L132 WeakPolarHBondContact O-CB 3.4Å; H129-L132 PolarHBondContact O-N 2.67Å; N130-L132 PolarHBondContact O-N 3.23Å; L132-I134 HydrophobicContact CB-CG1 4.45Å; L132-I134 PolarHBondContact O-N 2.98Å; L132-H179 HydrophobicContact CD2-CB 4.38Å; L132-Y260 HydrophobicContact CD1-CD1 4.41Å; L132-Y260 HydrophobicContact CD1-CG 4.49Å; L132-Y260 HydrophobicContact CD2-CD1 3.61Å; L132-Y260 HydrophobicContact CD2-CE1 3.99Å; L132-Y260 HydrophobicContact CD2-CG 4.44Å; L132-K262 HydrophobicContact CD2-CG 4.36Å
133K95.5Very high95.6Very high54 Ų5438.6 Ų38.624%0.23519%0.189CC..EExtended strand (participates in β ladder)trans-71.3115.6164.7-164.2174.8-173.6-1780111.1I126 M127 I128 D131 Q176 C178 H179I126-K133 HydrophobicContact CG2-CD 4.25Å; I126-K133 HydrophobicContact CG2-CG 3.79Å; M127-K133 CarbonylContact O-C 3.55Å; M127-K133 WeakPolarHBondContact O-CA 3.26Å; I128-K133 HydrophobicContact CG1-CB 4.49Å; I128-K133 HydrophobicContact CG1-CG 4.33Å; D131-K133 PolarHBondContact O-N 2.95Å; K133-Q176 WeakPolarHBondContact CD-O 3.17Å; K133-Q176 VanDerWaalsContact CE-O 3.3Å; K133-Q176 WeakPolarHBondContact CE-O 3.43Å; K133-Q176 PolarHBondContact NZ-O 2.99Å; K133-C178 CarbonylContact O-C 3.56Å; K133-C178 WeakPolarHBondContact O-CA 3.31Å; K133-H179 PolarHBondContact N-ND1 3.5Å; K133-H179 PolarHBondContact O-N 3.45Å; K133-H179 PolarHBondContact O-ND1 3.29Å
134I97Very high95.4Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-115.7129.5-176.5-57.1158000108.4L6 I45 I126 M127 H129 L132 I136 L180 I182L6-I134 HydrophobicContact CD1-CD1 4.07Å; L6-I134 HydrophobicContact CD2-CD1 3.58Å; L6-I134 HydrophobicContact CD2-CG1 4.35Å; L6-I134 HydrophobicContact CG-CD1 4.48Å; I45-I134 HydrophobicContact CD1-CD1 3.43Å; I45-I134 VanDerWaalsContact CD1-CD1 3.43Å; I126-I134 WeakPolarHBondContact CA-O 3.15Å; M127-I134 HydrophobicContact CG-CB 4.03Å; M127-I134 PolarHBondContact N-O 3.21Å; M127-I134 PolarHBondContact O-N 2.89Å; H129-I134 HydrophobicContact CB-CD1 4.21Å; L132-I134 HydrophobicContact CB-CG1 4.45Å; L132-I134 PolarHBondContact O-N 2.98Å; I134-I136 HydrophobicContact CG2-CG1 4.21Å; I134-L180 WeakPolarHBondContact CA-O 3.45Å; I134-L180 HydrophobicContact CG1-CB 4.37Å; I134-L180 HydrophobicContact CG2-CB 4.38Å; I134-I182 HydrophobicContact CG2-CD1 3.75Å; I134-I182 HydrophobicContact CG2-CG1 4.06Å
135G98.4Very high95.1Very high0 Ų035.2 Ų35.20%017%0.172CC..EExtended strand (participates in β ladder)trans-99.8139.8169.800000110.9Q125 L180 V181 I182Q125-G135 CarbonylContact O-C 3.47Å; Q125-G135 WeakPolarHBondContact O-CA 3.47Å; G135-L180 PolarHBondContact N-O 2.76Å; G135-V181 CarbonylContact O-C 3.56Å; G135-V181 VanDerWaalsContact O-CA 3.32Å; G135-V181 WeakPolarHBondContact O-CA 3.16Å; G135-I182 PolarHBondContact O-N 3.19Å
136I98.8Very high94.7Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-127.2127.5-178.8-49.3-175.7000109.4L47 C78 I105 Y124 Q125 M127 I134 I182 L184L47-I136 HydrophobicContact CD1-CD1 4.26Å; L47-I136 HydrophobicContact CD2-CD1 3.6Å; C78-I136 HydrophobicContact CB-CD1 3.96Å; I105-I136 HydrophobicContact CD1-CB 4.37Å; I105-I136 HydrophobicContact CD1-CG2 3.8Å; Y124-I136 CarbonylContact C-O 3.47Å; Y124-I136 WeakPolarHBondContact CA-O 3.47Å; Y124-I136 WeakPolarHBondContact CB-O 3.36Å; Q125-I136 HydrophobicContact CB-CB 4.36Å; Q125-I136 PolarHBondContact N-O 3.38Å; Q125-I136 PolarHBondContact O-N 3.35Å; M127-I136 HydrophobicContact CE-CD1 3.43Å; M127-I136 VanDerWaalsContact CE-CD1 3.43Å; M127-I136 HydrophobicContact CG-CD1 4.46Å; M127-I136 HydrophobicContact SD-CD1 3.82Å; I134-I136 HydrophobicContact CG2-CG1 4.21Å; I136-I182 VanDerWaalsContact CA-O 3.26Å; I136-I182 WeakPolarHBondContact CA-O 3.34Å; I136-L184 HydrophobicContact CG2-CD1 4.03Å; I136-L184 HydrophobicContact CG2-CG 3.79Å
137I98.8Very high94.3Very high0 Ų033.8 Ų33.80%017%0.166CC..EExtended strand (participates in β ladder)trans-114143.3178.3-55.8168.8000108.1I105 S107 L139 L168 L172 V181 I182 V183 L184I105-I137 VanDerWaalsContact CD1-C 3.49Å; S107-I137 WeakPolarHBondContact OG-CG2 3.32Å; I137-L139 HydrophobicContact CG2-CD2 4.08Å; I137-L139 HydrophobicContact CG2-CG 3.96Å; I137-L168 HydrophobicContact CD1-CB 3.68Å; I137-L168 HydrophobicContact CG1-CB 4.14Å; I137-L168 HydrophobicContact CG2-CD1 3.97Å; I137-L172 HydrophobicContact CD1-CD1 3.89Å; I137-L172 HydrophobicContact CG1-CD1 3.6Å; I137-V181 HydrophobicContact CD1-CG1 3.86Å; I137-V181 HydrophobicContact CG1-CG1 4.43Å; I137-I182 PolarHBondContact N-O 3.48Å; I137-V183 HydrophobicContact CB-CG1 4.35Å; I137-V183 HydrophobicContact CB-CG2 4.03Å; I137-V183 HydrophobicContact CD1-CG2 4.26Å; I137-V183 CarbonylContact O-C 3.5Å; I137-V183 WeakPolarHBondContact O-CA 3.38Å; I137-L184 PolarHBondContact O-N 2.81Å
138G98.7Very high94.1Very high0 Ų032.5 Ų32.50%016%0.159CC..EExtended strand (participates in β ladder)trans-112.9113.1174.900000111.7I105 S107 L184I105-G138 VanDerWaalsContact CD1-N 3.34Å; S107-G138 WeakPolarHBondContact CB-O 3.34Å; S107-G138 PolarHBondContact N-O 3.2Å; S107-G138 PolarHBondContact OG-N 2.81Å; S107-G138 PolarHBondContact OG-O 3.42Å; G138-L184 CarbonylContact C-O 3.49Å; G138-L184 WeakPolarHBondContact CA-O 3.31Å
139L98.8Very high93.7Very high0 Ų030.4 Ų30.40%015%0.154CC..EExtended strand (participates in β ladder)trans-117136.8-177.2-65.2176.4000112.6L80 N108 I137 M161 T164 V183 L184 T185 H186 M187 L195L80-L139 WeakPolarHBondContact CD2-O 3.38Å; N108-L139 HydrophobicContact CB-CD2 3.94Å; I137-L139 HydrophobicContact CG2-CD2 4.08Å; I137-L139 HydrophobicContact CG2-CG 3.96Å; L139-M161 HydrophobicContact CD1-CB 4.31Å; L139-M161 WeakPolarHBondContact CD1-O 3.28Å; L139-T164 HydrophobicContact CD2-CG2 3.98Å; L139-V183 HydrophobicContact CB-CG1 4.26Å; L139-V183 HydrophobicContact CD1-CG1 3.84Å; L139-V183 HydrophobicContact CG-CG1 3.96Å; L139-L184 PolarHBondContact N-O 3.1Å; L139-T185 HydrophobicContact CB-CG2 4.44Å; L139-T185 WeakPolarHBondContact O-CA 3.43Å; L139-H186 PolarHBondContact O-N 3.28Å; L139-H186 VanDerWaalsContact O-N 3.16Å; L139-M187 HydrophobicContact CB-CE 3.61Å; L139-L195 HydrophobicContact CD1-CD1 3.69Å; L139-L195 HydrophobicContact CD1-CD2 3.85Å; L139-L195 HydrophobicContact CD1-CG 4.45Å
140I98Very high93.4Very high0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-120.2145.1-178-71.2161000109.6L80 F81 N108 V109 W144L80-I140 HydrophobicContact CD1-CD1 3.95Å; L80-I140 HydrophobicContact CD1-CG1 4Å; L80-I140 HydrophobicContact CD2-CG1 4.42Å; F81-I140 HydrophobicContact CD2-CD1 3.96Å; F81-I140 HydrophobicContact CE2-CD1 3.41Å; F81-I140 VanDerWaalsContact CE2-CD1 3.41Å; F81-I140 HydrophobicContact CZ-CD1 4.13Å; N108-I140 PolarHBondContact ND2-O 3.07Å; N108-I140 PolarHBondContact OD1-N 2.91Å; V109-I140 HydrophobicContact CG2-CB 3.64Å; V109-I140 HydrophobicContact CG2-CD1 3.84Å; V109-I140 HydrophobicContact CG2-CG1 4.34Å; V109-I140 HydrophobicContact CG2-CG2 3.68Å; I140-W144 HydrophobicContact CB-CH2 4.36Å; I140-W144 HydrophobicContact CB-CZ2 4.42Å; I140-W144 HydrophobicContact CB-CZ3 4.44Å; I140-W144 HydrophobicContact CD1-CE3 4.38Å; I140-W144 HydrophobicContact CD1-CH2 3.59Å; I140-W144 HydrophobicContact CD1-CZ2 4.41Å; I140-W144 HydrophobicContact CD1-CZ3 3.59Å; I140-W144 HydrophobicContact CG1-CH2 3.6Å; I140-W144 HydrophobicContact CG1-CZ2 3.93Å; I140-W144 HydrophobicContact CG1-CZ3 3.96Å; I140-W144 HydrophobicContact CG2-CB 4.34Å; I140-W144 HydrophobicContact CG2-CD2 3.25Å; I140-W144 VanDerWaalsContact CG2-CE2 3.5Å; I140-W144 HydrophobicContact CG2-CE3 3.36Å; I140-W144 HydrophobicContact CG2-CG 3.73Å; I140-W144 HydrophobicContact CG2-CH2 3.84Å; I140-W144 HydrophobicContact CG2-CZ2 3.79Å; I140-W144 HydrophobicContact CG2-CZ3 3.65Å
141E95.7Very high93.5Very high3 Ų328 Ų281%0.01415%0.146CC..  trans-82.8154.2179.567.2-170.9154.500112.8E143 W144 M187 R188 N191 H209E141-E143 VanDerWaalsContact C-N 3.26Å; E141-E143 HydrophobicContact CG-CB 4.21Å; E141-E143 PolarHBondContact O-N 2.97Å; E141-W144 WeakPolarHBondContact O-CB 3.45Å; E141-W144 PolarHBondContact O-N 3.09Å; E141-M187 HydrophobicContact CB-CB 3.94Å; E141-M187 HydrophobicContact CB-CG 3.66Å; E141-M187 HydrophobicContact CB-SD 3.89Å; E141-M187 VanDerWaalsContact CD-CA 3.45Å; E141-M187 HydrophobicContact CG-CB 4.21Å; E141-M187 HydrophobicContact CG-CG 4.2Å; E141-M187 WeakPolarHBondContact OE1-CA 3.47Å; E141-R188 VanDerWaalsContact CD-N 3.32Å; E141-R188 PolarHBondContact OE1-N 3.26Å; E141-R188 PolarHBondContact OE2-N 3.31Å; E141-N191 PolarHBondContact OE2-ND2 3.33Å; E141-H209 IonicContact OE1-CD2 2.66Å; E141-H209 PolarHBondContact OE1-CD2 3.4Å; E141-H209 IonicContact OE1-NE2 3.09Å; E141-H209 PolarHBondContact OE1-NE2 3.28Å
142K94.2Very high93.4Very high133 Ų13325.2 Ų25.258%0.57813%0.133SC*.THydrogen-bonded Turntrans-70.3-26.7-175.9-178174.8178.5176.30112.5W144 I145 V158K142-W144 PolarHBondContact O-N 2.96Å; K142-W144 VanDerWaalsContact O-N 3.1Å; K142-I145 WeakPolarHBondContact O-CG1 3.49Å; K142-I145 PolarHBondContact O-N 2.92Å; K142-V158 HydrophobicContact CB-CB 4.46Å; K142-V158 HydrophobicContact CB-CG1 4.22Å; K142-V158 HydrophobicContact CG-CB 4.39Å
143E92.5Very high93.1Very high43 Ų4330.4 Ų30.420%0.20116%0.16CC..THydrogen-bonded Turntrans-58.7-19.9179.6-68.487.9149.500112.5E141 I145 E146 N191 K400E141-E143 VanDerWaalsContact C-N 3.26Å; E141-E143 HydrophobicContact CG-CB 4.21Å; E141-E143 PolarHBondContact O-N 2.97Å; E143-I145 PolarHBondContact O-N 3.04Å; E143-I145 VanDerWaalsContact O-N 3.12Å; E143-E146 PolarHBondContact O-N 3.34Å; E143-N191 PolarHBondContact OE1-ND2 2.71Å; E143-N191 VanDerWaalsContact OE1-ND2 3.11Å; E143-N191 PolarHBondContact OE2-ND2 3.37Å; E143-K400 IonicContact OE1-NZ 2.75Å; E143-K400 PolarHBondContact OE1-NZ 3.48Å
144W92.8Very high92.8Very high4 Ų432.6 Ų32.62%0.01518%0.182CC..Hα-helixtrans-52.5-32.2172.6-85.232.8000114.8F81 G82 N83 F86 I140 E141 K142 E146 V147 I148 F151 H186F81-W144 HydrophobicContact CD2-CH2 4.08Å; F81-W144 HydrophobicContact CD2-CZ3 4.12Å; F81-W144 HydrophobicContact CE2-CH2 4.48Å; F81-W144 HydrophobicContact CE2-CZ3 4.17Å; F81-W144 WeakPolarHBondContact O-CH2 3.34Å; G82-W144 VanDerWaalsContact O-CH2 3.27Å; G82-W144 WeakPolarHBondContact O-CH2 3.34Å; N83-W144 HydrophobicContact CB-CD2 3.82Å; N83-W144 HydrophobicContact CB-CE3 4.21Å; N83-W144 HydrophobicContact CB-CG 4.3Å; N83-W144 HydrophobicContact CB-CH2 4.43Å; N83-W144 HydrophobicContact CB-CZ2 4.03Å; N83-W144 VanDerWaalsContact N-CH2 3.28Å; F86-W144 HydrophobicContact CD2-CZ3 4.37Å; F86-W144 AromaticContact CE2-CZ3 3.77Å; F86-W144 HydrophobicContact CE2-CZ3 3.77Å; I140-W144 HydrophobicContact CB-CH2 4.36Å; I140-W144 HydrophobicContact CB-CZ2 4.42Å; I140-W144 HydrophobicContact CB-CZ3 4.44Å; I140-W144 HydrophobicContact CD1-CE3 4.38Å; I140-W144 HydrophobicContact CD1-CH2 3.59Å; I140-W144 HydrophobicContact CD1-CZ2 4.41Å; I140-W144 HydrophobicContact CD1-CZ3 3.59Å; I140-W144 HydrophobicContact CG1-CH2 3.6Å; I140-W144 HydrophobicContact CG1-CZ2 3.93Å; I140-W144 HydrophobicContact CG1-CZ3 3.96Å; I140-W144 HydrophobicContact CG2-CB 4.34Å; I140-W144 HydrophobicContact CG2-CD2 3.25Å; I140-W144 VanDerWaalsContact CG2-CE2 3.5Å; I140-W144 HydrophobicContact CG2-CE3 3.36Å; I140-W144 HydrophobicContact CG2-CG 3.73Å; I140-W144 HydrophobicContact CG2-CH2 3.84Å; I140-W144 HydrophobicContact CG2-CZ2 3.79Å; I140-W144 HydrophobicContact CG2-CZ3 3.65Å; E141-W144 WeakPolarHBondContact O-CB 3.45Å; E141-W144 PolarHBondContact O-N 3.09Å; K142-W144 PolarHBondContact O-N 2.96Å; K142-W144 VanDerWaalsContact O-N 3.1Å; W144-E146 PolarHBondContact O-N 3.32Å; W144-E146 VanDerWaalsContact O-N 3.14Å; W144-V147 PolarHBondContact O-N 3.45Å; W144-V147 VanDerWaalsContact O-N 3.09Å; W144-I148 HydrophobicContact CB-CD1 4.08Å; W144-I148 HydrophobicContact CD2-CD1 3.9Å; W144-I148 HydrophobicContact CE3-CD1 3.41Å; W144-I148 VanDerWaalsContact CE3-CD1 3.41Å; W144-I148 HydrophobicContact CG-CD1 4.22Å; W144-I148 HydrophobicContact CZ3-CD1 4.17Å; W144-I148 PolarHBondContact O-N 2.99Å; W144-I148 VanDerWaalsContact O-N 3.13Å; W144-F151 HydrophobicContact CE3-CE2 4.46Å; W144-H186 HydrophobicContact CZ2-CB 3.82Å; W144-H186 AromaticContact CZ2-CD2 3.58Å; W144-H186 AromaticContact CZ2-CG 3.91Å; W144-H186 PolarHBondContact NE1-O 3.34Å
145I91.4Very high92.5Very high21 Ų2135.2 Ų35.211%0.10820%0.196CC..Hα-helixtrans-58.6-27.9179.5-61.5-62.7000112K142 E143 F151 L153 I156 V158K142-I145 WeakPolarHBondContact O-CG1 3.49Å; K142-I145 PolarHBondContact O-N 2.92Å; E143-I145 PolarHBondContact O-N 3.04Å; E143-I145 VanDerWaalsContact O-N 3.12Å; I145-F151 HydrophobicContact CD1-CB 4.35Å; I145-F151 HydrophobicContact CD1-CD2 4.49Å; I145-L153 HydrophobicContact CG1-CD2 4.31Å; I145-L153 HydrophobicContact CG2-CD2 3.92Å; I145-L153 HydrophobicContact CG2-CG 3.95Å; I145-I156 HydrophobicContact CD1-CB 3.63Å; I145-I156 HydrophobicContact CD1-CG1 4.45Å; I145-I156 HydrophobicContact CD1-CG2 3.56Å; I145-V158 HydrophobicContact CD1-CG2 3.92Å; I145-V158 HydrophobicContact CG1-CG2 4.03Å
146E90Very high92.4Very high47 Ų4735.4 Ų35.422%0.2220%0.197CC..Hα-helixtrans-89.9-16.2-179.2-59.1-165.2149.200113.4E143 W144 R404 N455 D456 R459E143-E146 PolarHBondContact O-N 3.34Å; W144-E146 PolarHBondContact O-N 3.32Å; W144-E146 VanDerWaalsContact O-N 3.14Å; E146-R404 IonicContact OE2-CZ 3.32Å; E146-R404 IonicContact OE2-NH1 3.23Å; E146-R404 PolarHBondContact OE2-NH1 3.22Å; E146-R404 IonicContact OE2-NH2 2.67Å; E146-R404 PolarHBondContact OE2-NH2 2.85Å; E146-N455 CarbonylContact O-C 3.57Å; E146-N455 WeakPolarHBondContact O-CA 3.5Å; E146-D456 PolarHBondContact O-N 3.3Å; E146-R459 IonicContact OE1-CZ 3.6Å; E146-R459 IonicContact OE1-NE 2.81Å; E146-R459 IonicContact OE1-NH2 2.92Å; E146-R459 PolarHBondContact OE1-NH2 2.62Å
147V90.7Very high92.3Very high18 Ų1838.5 Ų38.511%0.10921%0.213CC..Hα-helixtrans-110.6-10.7-172.5-50.90000113.9N83 W144 P149 Y450 D456N83-V147 HydrophobicContact CB-CG2 4.4Å; W144-V147 PolarHBondContact O-N 3.45Å; W144-V147 VanDerWaalsContact O-N 3.09Å; V147-P149 WeakPolarHBondContact O-CD 3.17Å; V147-Y450 WeakPolarHBondContact CA-OH 3.48Å; V147-Y450 PolarHBondContact O-OH 3.11Å; V147-Y450 VanDerWaalsContact O-OH 3.14Å; V147-D456 WeakPolarHBondContact CG1-OD1 3.27Å
148I91.3Very high92.1Very high1 Ų139.6 Ų39.61%0.00522%0.22CC..  trans-104110177.9-61.2171.3000109.1N83 F86 W144 C150 F151N83-I148 HydrophobicContact CB-CD1 3.76Å; N83-I148 HydrophobicContact CB-CG1 3.88Å; F86-I148 HydrophobicContact CB-CG2 3.87Å; F86-I148 HydrophobicContact CD2-CD1 3.95Å; W144-I148 HydrophobicContact CB-CD1 4.08Å; W144-I148 HydrophobicContact CD2-CD1 3.9Å; W144-I148 HydrophobicContact CE3-CD1 3.41Å; W144-I148 VanDerWaalsContact CE3-CD1 3.41Å; W144-I148 HydrophobicContact CG-CD1 4.22Å; W144-I148 HydrophobicContact CZ3-CD1 4.17Å; W144-I148 PolarHBondContact O-N 2.99Å; W144-I148 VanDerWaalsContact O-N 3.13Å; I148-C150 VanDerWaalsContact CG2-SG 3.59Å; I148-C150 PolarHBondContact O-N 3.49Å; I148-C150 VanDerWaalsContact O-N 3.09Å; I148-F151 HydrophobicContact CB-CB 4.09Å; I148-F151 HydrophobicContact CB-CD1 4.41Å; I148-F151 HydrophobicContact CB-CD2 3.78Å; I148-F151 HydrophobicContact CB-CE2 4.23Å; I148-F151 HydrophobicContact CB-CG 3.84Å; I148-F151 HydrophobicContact CD1-CD2 3.55Å; I148-F151 HydrophobicContact CD1-CE2 3.28Å; I148-F151 HydrophobicContact CD1-CG 4.43Å; I148-F151 HydrophobicContact CD1-CZ 3.95Å; I148-F151 HydrophobicContact CG1-CD2 4.24Å; I148-F151 HydrophobicContact CG1-CE2 4.34Å; I148-F151 HydrophobicContact CG2-CB 4.18Å; I148-F151 HydrophobicContact CG2-CD1 3.65Å; I148-F151 HydrophobicContact CG2-CD2 3.82Å; I148-F151 HydrophobicContact CG2-CE1 3.81Å; I148-F151 HydrophobicContact CG2-CE2 4.01Å; I148-F151 HydrophobicContact CG2-CG 3.6Å; I148-F151 HydrophobicContact CG2-CZ 3.95Å; I148-F151 PolarHBondContact O-N 3.36Å
149P86.3Confident92Very high78 Ų7843.5 Ų43.551%0.50624%0.237SC..THydrogen-bonded Turntrans-59.4-26.9-171.7-28.936.2000116.1V147 F151 Y450V147-P149 WeakPolarHBondContact O-CD 3.17Å; P149-F151 VanDerWaalsContact C-N 3.35Å; P149-Y450 HydrophobicContact CG-CD2 4.13Å; P149-Y450 HydrophobicContact CG-CE2 3.93Å
150C86.3Confident92Very high56 Ų5647.6 Ų47.638%0.37826%0.259SS..THydrogen-bonded Turntrans-87.5-3.6178.560.50000113.5I148 N155I148-C150 VanDerWaalsContact CG2-SG 3.59Å; I148-C150 PolarHBondContact O-N 3.49Å; I148-C150 VanDerWaalsContact O-N 3.09Å; C150-N155 PolarHBondContact O-ND2 3Å; C150-N155 VanDerWaalsContact O-ND2 3.07Å
151F88.3Confident92Very high13 Ų1348.6 Ų48.66%0.05726%0.264CS..  trans-99.1144.7-180-696.6000111.1F86 M90 L118 W144 I145 I148 P149 I156F86-F151 HydrophobicContact CB-CZ 4.48Å; F86-F151 HydrophobicContact CD1-CE1 4.16Å; F86-F151 AromaticContact CD1-CZ 3.82Å; F86-F151 HydrophobicContact CD1-CZ 3.82Å; F86-F151 HydrophobicContact CD2-CE2 4.45Å; F86-F151 AromaticContact CD2-CZ 3.91Å; F86-F151 HydrophobicContact CD2-CZ 3.91Å; F86-F151 AromaticContact CE1-CZ 3.98Å; F86-F151 HydrophobicContact CE1-CZ 3.98Å; F86-F151 HydrophobicContact CE2-CZ 4.09Å; F86-F151 HydrophobicContact CG-CE1 4.28Å; F86-F151 AromaticContact CG-CZ 3.78Å; F86-F151 HydrophobicContact CG-CZ 3.78Å; F86-F151 HydrophobicContact CZ-CZ 4.11Å; M90-F151 HydrophobicContact SD-CE1 4.35Å; L118-F151 HydrophobicContact CD2-CE1 4.09Å; L118-F151 HydrophobicContact CD2-CE2 3.77Å; L118-F151 HydrophobicContact CD2-CZ 3.36Å; W144-F151 HydrophobicContact CE3-CE2 4.46Å; I145-F151 HydrophobicContact CD1-CB 4.35Å; I145-F151 HydrophobicContact CD1-CD2 4.49Å; I148-F151 HydrophobicContact CB-CB 4.09Å; I148-F151 HydrophobicContact CB-CD1 4.41Å; I148-F151 HydrophobicContact CB-CD2 3.78Å; I148-F151 HydrophobicContact CB-CE2 4.23Å; I148-F151 HydrophobicContact CB-CG 3.84Å; I148-F151 HydrophobicContact CD1-CD2 3.55Å; I148-F151 HydrophobicContact CD1-CE2 3.28Å; I148-F151 HydrophobicContact CD1-CG 4.43Å; I148-F151 HydrophobicContact CD1-CZ 3.95Å; I148-F151 HydrophobicContact CG1-CD2 4.24Å; I148-F151 HydrophobicContact CG1-CE2 4.34Å; I148-F151 HydrophobicContact CG2-CB 4.18Å; I148-F151 HydrophobicContact CG2-CD1 3.65Å; I148-F151 HydrophobicContact CG2-CD2 3.82Å; I148-F151 HydrophobicContact CG2-CE1 3.81Å; I148-F151 HydrophobicContact CG2-CE2 4.01Å; I148-F151 HydrophobicContact CG2-CG 3.6Å; I148-F151 HydrophobicContact CG2-CZ 3.95Å; I148-F151 PolarHBondContact O-N 3.36Å; P149-F151 VanDerWaalsContact C-N 3.35Å; F151-I156 HydrophobicContact CB-CG1 3.98Å; F151-I156 HydrophobicContact CD1-CD1 4.2Å; F151-I156 HydrophobicContact CD1-CG1 3.88Å; F151-I156 HydrophobicContact CD2-CG1 4Å; F151-I156 HydrophobicContact CE1-CD1 4.35Å; F151-I156 HydrophobicContact CE1-CG1 4.46Å; F151-I156 HydrophobicContact CG-CD1 4.43Å; F151-I156 HydrophobicContact CG-CG1 3.68Å
152T85.9Confident92Very high58 Ų5850.3 Ų50.336%0.35627%0.273SS..  trans-145.6161.1173.671.40000108.7S154 N155 I156T152-S154 PolarHBondContact O-N 3.1Å; T152-S154 PolarHBondContact OG1-N 2.84Å; T152-S154 VanDerWaalsContact OG1-N 3.14Å; T152-S154 PolarHBondContact OG1-OG 2.75Å; T152-N155 WeakPolarHBondContact CA-OD1 3.03Å; T152-N155 PolarHBondContact N-OD1 3.09Å; T152-N155 PolarHBondContact O-N 2.66Å; T152-N155 PolarHBondContact O-OD1 3.28Å; T152-N155 PolarHBondContact OG1-N 3.5Å; T152-N155 PolarHBondContact OG1-OD1 3.3Å; T152-I156 PolarHBondContact O-N 2.9Å
153L85.3Confident92.2Very high109 Ų10950.5 Ų50.557%0.57128%0.276SS*.THydrogen-bonded Turntrans-63.6-12.3170.4-67.7174.4000113.2K112 I145K112-L153 PolarHBondContact NZ-O 2.89Å; I145-L153 HydrophobicContact CG1-CD2 4.31Å; I145-L153 HydrophobicContact CG2-CD2 3.92Å; I145-L153 HydrophobicContact CG2-CG 3.95Å
154S88.7Confident92.5Very high101 Ų10148.8 Ų48.871%0.70627%0.268SS*.THydrogen-bonded Turntrans-83.9-28.1178.871.60000113.4T152T152-S154 PolarHBondContact O-N 3.1Å; T152-S154 PolarHBondContact OG1-N 2.84Å; T152-S154 VanDerWaalsContact OG1-N 3.14Å; T152-S154 PolarHBondContact OG1-OG 2.75Å
155N92.5Very high92.7Very high54 Ų5448.6 Ų48.629%0.28927%0.268SS..THydrogen-bonded Turntrans-111.4-24.1-178.162.9-13.5000113.8K112 C150 T152K112-N155 WeakPolarHBondContact CB-O 3.45Å; K112-N155 PolarHBondContact N-O 2.58Å; C150-N155 PolarHBondContact O-ND2 3Å; C150-N155 VanDerWaalsContact O-ND2 3.07Å; T152-N155 WeakPolarHBondContact CA-OD1 3.03Å; T152-N155 PolarHBondContact N-OD1 3.09Å; T152-N155 PolarHBondContact O-N 2.66Å; T152-N155 PolarHBondContact O-OD1 3.28Å; T152-N155 PolarHBondContact OG1-N 3.5Å; T152-N155 PolarHBondContact OG1-OD1 3.3Å
156I95.7Very high92.9Very high5 Ų550.2 Ų50.23%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-112.5138.3179.7-57.4-58.9000111.1V109 K112 L118 I145 F151 T152 V158V109-I156 HydrophobicContact CG1-CG2 3.56Å; K112-I156 WeakPolarHBondContact CE-O 3.35Å; L118-I156 HydrophobicContact CD1-CD1 3.93Å; L118-I156 HydrophobicContact CD2-CD1 4.13Å; I145-I156 HydrophobicContact CD1-CB 3.63Å; I145-I156 HydrophobicContact CD1-CG1 4.45Å; I145-I156 HydrophobicContact CD1-CG2 3.56Å; F151-I156 HydrophobicContact CB-CG1 3.98Å; F151-I156 HydrophobicContact CD1-CD1 4.2Å; F151-I156 HydrophobicContact CD1-CG1 3.88Å; F151-I156 HydrophobicContact CD2-CG1 4Å; F151-I156 HydrophobicContact CE1-CD1 4.35Å; F151-I156 HydrophobicContact CE1-CG1 4.46Å; F151-I156 HydrophobicContact CG-CD1 4.43Å; F151-I156 HydrophobicContact CG-CG1 3.68Å; T152-I156 PolarHBondContact O-N 2.9Å; I156-V158 HydrophobicContact CG2-CG2 4.02Å
157D95.6Very high93.3Very high64 Ų6454.2 Ų54.234%0.34229%0.291SS..EExtended strand (participates in β ladder)trans-113.7119.3168.5-167.335.8000110.2Y110 K112Y110-D157 PolarHBondContact N-O 2.77Å; Y110-D157 PolarHBondContact O-N 2.72Å; K112-D157 HydrophobicContact CD-CB 4.33Å; K112-D157 VanDerWaalsContact CE-CB 3.49Å; K112-D157 HydrophobicContact CG-CB 3.81Å
158V96.1Very high93.6Very high24 Ų2454.4 Ų54.415%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-106.5106.5174.9-172.90000108.1V109 K142 I145 I156V109-V158 HydrophobicContact CG1-CG2 4.35Å; V109-V158 HydrophobicContact CG2-CG1 4.21Å; V109-V158 HydrophobicContact CG2-CG2 4.28Å; K142-V158 HydrophobicContact CB-CB 4.46Å; K142-V158 HydrophobicContact CB-CG1 4.22Å; K142-V158 HydrophobicContact CG-CB 4.39Å; I145-V158 HydrophobicContact CD1-CG2 3.92Å; I145-V158 HydrophobicContact CG1-CG2 4.03Å; I156-V158 HydrophobicContact CG2-CG2 4.02Å
159K96.9Very high93.9Very high82 Ų8254.4 Ų54.436%0.35729%0.291SS..  trans-70.3150.3174.6-62.4-171.7-174.2167.40110.3N108 Y110 M161N108-K159 HydrophobicContact CB-CB 4.27Å; N108-K159 PolarHBondContact ND2-O 2.98Å; N108-K159 PolarHBondContact O-N 2.89Å; Y110-K159 HydrophobicContact CD2-CD 3.99Å; Y110-K159 HydrophobicContact CD2-CG 4.04Å; Y110-K159 HydrophobicContact CE2-CD 3.48Å; Y110-K159 VanDerWaalsContact CE2-CD 3.48Å; Y110-K159 HydrophobicContact CE2-CG 3.93Å; Y110-K159 VanDerWaalsContact CZ-NZ 3.27Å; Y110-K159 PolarHBondContact OH-NZ 3.16Å; K159-M161 PolarHBondContact O-N 2.7Å
160D97.6Very high94.3Very high85 Ų8553.5 Ų53.546%0.45528%0.28SS..  trans-57.5129.4179.7-178.3-91.4000110.9I162 E163 T164D160-I162 VanDerWaalsContact C-N 3.32Å; D160-I162 PolarHBondContact O-N 3.26Å; D160-I162 WeakPolarHBondContact OD1-CA 3.44Å; D160-I162 VanDerWaalsContact OD1-CB 3.29Å; D160-I162 WeakPolarHBondContact OD1-CB 3.47Å; D160-I162 PolarHBondContact OD1-N 2.82Å; D160-E163 HydrophobicContact CB-CB 4.07Å; D160-E163 PolarHBondContact OD1-N 3.06Å; D160-T164 VanDerWaalsContact O-CB 3.27Å; D160-T164 WeakPolarHBondContact O-CB 3.41Å; D160-T164 PolarHBondContact O-N 3.38Å; D160-T164 PolarHBondContact O-OG1 3.08Å
161M97.5Very high94.8Very high21 Ų2154.7 Ų54.710%0.10328%0.277CS..Hα-helixtrans-68.4-30.4-17657.2164.7175.100112.6L139 K159 G165 M187 N191 L194L139-M161 HydrophobicContact CD1-CB 4.31Å; L139-M161 WeakPolarHBondContact CD1-O 3.28Å; K159-M161 PolarHBondContact O-N 2.7Å; M161-G165 WeakPolarHBondContact O-CA 3.29Å; M161-G165 PolarHBondContact O-N 3.02Å; M161-M187 HydrophobicContact CB-SD 4.49Å; M161-M187 HydrophobicContact SD-CE 3.97Å; M161-M187 HydrophobicContact SD-SD 3.49Å; M161-N191 HydrophobicContact CE-CB 3.68Å; M161-N191 HydrophobicContact SD-CB 4.1Å; M161-L194 HydrophobicContact CE-CB 4.17Å
162I97.4Very high95.3Very high40 Ų4054 Ų5421%0.20528%0.275CS..Hα-helixtrans-75.6-49179.4-62.9169.7000108.7D160 T164 G165 R166 N198 V199D160-I162 VanDerWaalsContact C-N 3.32Å; D160-I162 PolarHBondContact O-N 3.26Å; D160-I162 WeakPolarHBondContact OD1-CA 3.44Å; D160-I162 VanDerWaalsContact OD1-CB 3.29Å; D160-I162 WeakPolarHBondContact OD1-CB 3.47Å; D160-I162 PolarHBondContact OD1-N 2.82Å; I162-T164 PolarHBondContact O-N 2.64Å; I162-G165 PolarHBondContact O-N 3.48Å; I162-R166 WeakPolarHBondContact O-CG 3.46Å; I162-R166 PolarHBondContact O-N 3.28Å; I162-N198 HydrophobicContact CD1-CB 3.81Å; I162-N198 HydrophobicContact CG1-CB 4.16Å; I162-N198 HydrophobicContact CG2-CB 3.78Å; I162-V199 HydrophobicContact CB-CG2 4.36Å; I162-V199 HydrophobicContact CG2-CG2 3.95Å
163E97.3Very high95.6Very high136 Ų13653 Ų5364%0.63627%0.265SS*.Hα-helixtrans-58.5-50177-173.8178.2-179.600111.2D160 G165 R166 Q167D160-E163 HydrophobicContact CB-CB 4.07Å; D160-E163 PolarHBondContact OD1-N 3.06Å; E163-G165 PolarHBondContact O-N 3.47Å; E163-R166 PolarHBondContact O-N 2.98Å; E163-Q167 WeakPolarHBondContact O-CB 3.29Å; E163-Q167 PolarHBondContact O-N 2.93Å
164T98.3Very high96.1Very high8 Ų850.5 Ų50.55%0.04925%0.252CS..Hα-helixtrans-62.3-43.6178.2-53.20000111.2S107 N108 L139 D160 I162 Q167 L168S107-T164 WeakPolarHBondContact O-CG2 3.11Å; N108-T164 HydrophobicContact CB-CG2 3.93Å; L139-T164 HydrophobicContact CD2-CG2 3.98Å; D160-T164 VanDerWaalsContact O-CB 3.27Å; D160-T164 WeakPolarHBondContact O-CB 3.41Å; D160-T164 PolarHBondContact O-N 3.38Å; D160-T164 PolarHBondContact O-OG1 3.08Å; I162-T164 PolarHBondContact O-N 2.64Å; T164-Q167 PolarHBondContact O-N 2.76Å; T164-L168 HydrophobicContact CG2-CD1 3.95Å; T164-L168 HydrophobicContact CG2-CG 4.44Å; T164-L168 WeakPolarHBondContact O-CB 3.47Å; T164-L168 PolarHBondContact O-N 2.78Å
165G97.9Very high96.4Very high0 Ų051.9 Ų51.90%025%0.247CC..Hα-helixtrans-60.4-44.4177.200000112.9M161 I162 E163 G169M161-G165 WeakPolarHBondContact O-CA 3.29Å; M161-G165 PolarHBondContact O-N 3.02Å; I162-G165 PolarHBondContact O-N 3.48Å; E163-G165 PolarHBondContact O-N 3.47Å; G165-G169 WeakPolarHBondContact O-CA 3.43Å; G165-G169 PolarHBondContact O-N 2.9Å
166R96Very high96.7Very high55 Ų5551.8 Ų51.821%0.20825%0.245CC..Hα-helixtrans-64.4-48.8175.9-70.6-167.673.3172.7-3.7111.3I162 E163 Q170 V199 E201 D227I162-R166 WeakPolarHBondContact O-CG 3.46Å; I162-R166 PolarHBondContact O-N 3.28Å; E163-R166 PolarHBondContact O-N 2.98Å; R166-Q170 WeakPolarHBondContact O-CB 3.39Å; R166-Q170 PolarHBondContact O-N 2.83Å; R166-V199 HydrophobicContact CG-CB 4.35Å; R166-V199 HydrophobicContact CG-CG1 3.95Å; R166-V199 HydrophobicContact CG-CG2 4.1Å; R166-E201 IonicContact NE-OE1 2.74Å; R166-D227 IonicContact CZ-OD2 2.75Å; R166-D227 IonicContact NH1-OD2 2.86Å; R166-D227 PolarHBondContact NH1-OD2 3.17Å; R166-D227 IonicContact NH2-OD2 3.6Å; R166-D227 PolarHBondContact NH2-OD2 2.9Å
167Q96.9Very high96.6Very high131 Ų13159 Ų5961%0.61228%0.276SS*.Hα-helixtrans-59.2-52.5-178.3-176-175.28.700111.8E163 T164 Y171E163-Q167 WeakPolarHBondContact O-CB 3.29Å; E163-Q167 PolarHBondContact O-N 2.93Å; T164-Q167 PolarHBondContact O-N 2.76Å; Q167-Y171 WeakPolarHBondContact O-CB 3.48Å; Q167-Y171 PolarHBondContact O-N 3.09Å
168L98.1Very high96.5Very high22 Ų2256.3 Ų56.312%0.11526%0.262CS..Hα-helixtrans-72.1-39.6-178.7-71.5179.6000112.1Y124 I137 T164 Q170 Y171 L172Y124-L168 HydrophobicContact CD1-CD2 3.94Å; Y124-L168 HydrophobicContact CE1-CD2 4.36Å; I137-L168 HydrophobicContact CD1-CB 3.68Å; I137-L168 HydrophobicContact CG1-CB 4.14Å; I137-L168 HydrophobicContact CG2-CD1 3.97Å; T164-L168 HydrophobicContact CG2-CD1 3.95Å; T164-L168 HydrophobicContact CG2-CG 4.44Å; T164-L168 WeakPolarHBondContact O-CB 3.47Å; T164-L168 PolarHBondContact O-N 2.78Å; L168-Q170 VanDerWaalsContact C-N 3.3Å; L168-Q170 PolarHBondContact O-N 3.13Å; L168-Y171 PolarHBondContact O-N 3.14Å; L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 VanDerWaalsContact O-CG 3.26Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 3.26Å
169G96.8Very high96.4Very high0 Ų057.2 Ų57.20%026%0.264CS..Hα-helixtrans-59-43.2175.400000111.7G165 L172 K173G165-G169 WeakPolarHBondContact O-CA 3.43Å; G165-G169 PolarHBondContact O-N 2.9Å; G169-L172 PolarHBondContact O-N 3.07Å; G169-K173 WeakPolarHBondContact O-CB 3.1Å; G169-K173 WeakPolarHBondContact O-CG 3.44Å; G169-K173 PolarHBondContact O-N 3.43Å
170Q95.4Very high96.2Very high60 Ų6053.5 Ų53.528%0.2825%0.249SC..Hα-helixtrans-65-45.3177.3-177.5-177.8-17.800111.1R166 L168 L172 I174 E201R166-Q170 WeakPolarHBondContact O-CB 3.39Å; R166-Q170 PolarHBondContact O-N 2.83Å; L168-Q170 VanDerWaalsContact C-N 3.3Å; L168-Q170 PolarHBondContact O-N 3.13Å; Q170-L172 PolarHBondContact O-N 3.46Å; Q170-I174 HydrophobicContact CG-CD1 3.59Å; Q170-I174 HydrophobicContact CG-CG1 4.33Å; Q170-I174 VanDerWaalsContact O-CB 3.27Å; Q170-I174 WeakPolarHBondContact O-CB 3.34Å; Q170-I174 WeakPolarHBondContact O-CG1 2.96Å; Q170-I174 PolarHBondContact O-N 3.23Å; Q170-E201 HydrophobicContact CB-CG 4.14Å
171Y97.4Very high96.2Very high80 Ų8049.5 Ų49.531%0.31423%0.227SC..Iπ-helixtrans-59.4-45.7175.8171.7-98.5000111.9Y124 Q167 L168 Q175 Q176Y124-Y171 HydrophobicContact CE1-CD1 4.16Å; Y124-Y171 AromaticContact CE1-CE1 3.71Å; Y124-Y171 HydrophobicContact CE1-CE1 3.71Å; Y124-Y171 HydrophobicContact CE2-CE1 4.29Å; Y124-Y171 AromaticContact CZ-CE1 3.5Å; Y124-Y171 VanDerWaalsContact OH-CE1 3.26Å; Y124-Y171 WeakPolarHBondContact OH-CE1 3.37Å; Y124-Y171 PolarHBondContact OH-OH 3.15Å; Q167-Y171 WeakPolarHBondContact O-CB 3.48Å; Q167-Y171 PolarHBondContact O-N 3.09Å; L168-Y171 PolarHBondContact O-N 3.14Å; Y171-Q175 HydrophobicContact CD2-CB 3.77Å; Y171-Q175 HydrophobicContact CD2-CG 3.85Å; Y171-Q175 HydrophobicContact CE2-CB 3.92Å; Y171-Q175 HydrophobicContact CE2-CG 4.32Å; Y171-Q175 WeakPolarHBondContact O-CA 3.43Å; Y171-Q175 WeakPolarHBondContact O-CB 3.35Å; Y171-Q175 PolarHBondContact O-N 3.47Å; Y171-Q176 HydrophobicContact CD1-CG 4.06Å; Y171-Q176 HydrophobicContact CE1-CG 3.48Å; Y171-Q176 VanDerWaalsContact CE1-CG 3.48Å; Y171-Q176 HydrophobicContact CE2-CG 4.46Å; Y171-Q176 PolarHBondContact O-N 3.26Å; Y171-Q176 PolarHBondContact OH-NE2 2.8Å
172L97.4Very high96.2Very high0 Ų048.6 Ų48.60%022%0.223CC..Iπ-helixtrans-66.1-45.8-179.9-71.1171.9000112Y124 I126 I137 L168 G169 Q170 Q176 K177 C178 V181Y124-L172 HydrophobicContact CD2-CD2 3.84Å; Y124-L172 HydrophobicContact CE2-CD2 4.2Å; Y124-L172 HydrophobicContact CG-CD2 4.16Å; I126-L172 HydrophobicContact CD1-CD2 3.87Å; I126-L172 HydrophobicContact CG1-CD2 3.81Å; I137-L172 HydrophobicContact CD1-CD1 3.89Å; I137-L172 HydrophobicContact CG1-CD1 3.6Å; L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 VanDerWaalsContact O-CG 3.26Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 3.26Å; G169-L172 PolarHBondContact O-N 3.07Å; Q170-L172 PolarHBondContact O-N 3.46Å; L172-Q176 HydrophobicContact CD2-CB 4.45Å; L172-Q176 HydrophobicContact CD2-CG 4.4Å; L172-Q176 CarbonylContact O-C 3.21Å; L172-Q176 WeakPolarHBondContact O-CB 3.39Å; L172-K177 PolarHBondContact O-N 2.81Å; L172-K177 VanDerWaalsContact O-N 3.12Å; L172-C178 HydrophobicContact CB-CB 4.46Å; L172-C178 WeakPolarHBondContact O-CB 3.29Å; L172-C178 PolarHBondContact O-N 3.34Å; L172-V181 HydrophobicContact CB-CG2 3.76Å; L172-V181 HydrophobicContact CD1-CG1 4.32Å; L172-V181 HydrophobicContact CD1-CG2 4.33Å
173K94Very high96.3Very high37 Ų3746.7 Ų46.716%0.16121%0.213CC..Iπ-helixtrans-68.7-42.4179.1-72.5-73.4-173.51680112.8G169 K177 H179 V181 E201 D203 L232G169-K173 WeakPolarHBondContact O-CB 3.1Å; G169-K173 WeakPolarHBondContact O-CG 3.44Å; G169-K173 PolarHBondContact O-N 3.43Å; K173-K177 WeakPolarHBondContact O-CA 3.32Å; K173-H179 PolarHBondContact NZ-O 2.77Å; K173-V181 HydrophobicContact CD-CG2 3.97Å; K173-V181 HydrophobicContact CG-CG2 3.8Å; K173-E201 VanDerWaalsContact CE-O 3.32Å; K173-E201 WeakPolarHBondContact CE-O 3.39Å; K173-D203 WeakPolarHBondContact CE-OD2 3.44Å; K173-D203 VanDerWaalsContact NZ-CG 3.27Å; K173-D203 IonicContact NZ-OD1 3.58Å; K173-D203 PolarHBondContact NZ-OD1 3.01Å; K173-D203 VanDerWaalsContact NZ-OD1 3.09Å; K173-D203 IonicContact NZ-OD2 3.31Å; K173-D203 PolarHBondContact NZ-OD2 2.95Å; K173-L232 HydrophobicContact CB-CD2 3.6Å; K173-L232 HydrophobicContact CG-CD1 4.38Å; K173-L232 HydrophobicContact CG-CD2 4.25Å
174I94.4Very high96.4Very high55 Ų5540.2 Ų40.228%0.28218%0.183SC..Iπ-helixtrans-93.9-57.2-170.4-57.6-179.3000111.8Q170 L231 L232Q170-I174 HydrophobicContact CG-CD1 3.59Å; Q170-I174 HydrophobicContact CG-CG1 4.33Å; Q170-I174 VanDerWaalsContact O-CB 3.27Å; Q170-I174 WeakPolarHBondContact O-CB 3.34Å; Q170-I174 WeakPolarHBondContact O-CG1 2.96Å; Q170-I174 PolarHBondContact O-N 3.23Å; I174-L231 HydrophobicContact CD1-CB 3.52Å; I174-L231 HydrophobicContact CD1-CD1 4.36Å; I174-L232 HydrophobicContact CD1-CD2 4.02Å; I174-L232 HydrophobicContact CG1-CD2 3.69Å
175Q96.3Very high96.4Very high131 Ų13139.9 Ų39.961%0.61218%0.181SC*.Iπ-helixtrans-78.4-45.3-172.7-57.4-59.5-3400110.7Y171Y171-Q175 HydrophobicContact CD2-CB 3.77Å; Y171-Q175 HydrophobicContact CD2-CG 3.85Å; Y171-Q175 HydrophobicContact CE2-CB 3.92Å; Y171-Q175 HydrophobicContact CE2-CG 4.32Å; Y171-Q175 WeakPolarHBondContact O-CA 3.43Å; Y171-Q175 WeakPolarHBondContact O-CB 3.35Å; Y171-Q175 PolarHBondContact O-N 3.47Å
176Q96.9Very high96.4Very high52 Ų5239.9 Ų39.924%0.24318%0.181CC..SBendtrans-85.7-10.6179.8-61.7-62-32.600113.3I126 K133 Y171 L172 C178I126-Q176 HydrophobicContact CD1-CB 3.8Å; I126-Q176 HydrophobicContact CD1-CG 3.7Å; K133-Q176 WeakPolarHBondContact CD-O 3.17Å; K133-Q176 VanDerWaalsContact CE-O 3.3Å; K133-Q176 WeakPolarHBondContact CE-O 3.43Å; K133-Q176 PolarHBondContact NZ-O 2.99Å; Y171-Q176 HydrophobicContact CD1-CG 4.06Å; Y171-Q176 HydrophobicContact CE1-CG 3.48Å; Y171-Q176 VanDerWaalsContact CE1-CG 3.48Å; Y171-Q176 HydrophobicContact CE2-CG 4.46Å; Y171-Q176 PolarHBondContact O-N 3.26Å; Y171-Q176 PolarHBondContact OH-NE2 2.8Å; L172-Q176 HydrophobicContact CD2-CB 4.45Å; L172-Q176 HydrophobicContact CD2-CG 4.4Å; L172-Q176 CarbonylContact O-C 3.21Å; L172-Q176 WeakPolarHBondContact O-CB 3.39Å; Q176-C178 PolarHBondContact O-N 3.03Å
177K94Very high96.5Very high157 Ų15737.2 Ų37.268%0.68317%0.171SC*.  trans54.838.6179.1-53.7-179.5-179.3179.40112.4L172 K173L172-K177 PolarHBondContact O-N 2.81Å; L172-K177 VanDerWaalsContact O-N 3.12Å; K173-K177 WeakPolarHBondContact O-CA 3.32Å
178C94.9Very high96.4Very high6 Ų631.2 Ų31.24%0.04114%0.142CC..  trans-67.4135.6171.3-64.90000109.4K133 L172 Q176K133-C178 CarbonylContact O-C 3.56Å; K133-C178 WeakPolarHBondContact O-CA 3.31Å; L172-C178 HydrophobicContact CB-CB 4.46Å; L172-C178 WeakPolarHBondContact O-CB 3.29Å; L172-C178 PolarHBondContact O-N 3.34Å; Q176-C178 PolarHBondContact O-N 3.03Å
179H92.8Very high96.3Very high43 Ų4331 Ų3120%0.19914%0.14CC..SBendtrans-72.5-43.4176.4-57101.5000110.5L132 K133 K173 Y260L132-H179 HydrophobicContact CD2-CB 4.38Å; K133-H179 PolarHBondContact N-ND1 3.5Å; K133-H179 PolarHBondContact O-N 3.45Å; K133-H179 PolarHBondContact O-ND1 3.29Å; K173-H179 PolarHBondContact NZ-O 2.77Å; H179-Y260 WeakPolarHBondContact CA-OH 2.99Å; H179-Y260 HydrophobicContact CB-CE1 3.82Å; H179-Y260 WeakPolarHBondContact CB-OH 3.24Å; H179-Y260 PolarHBondContact O-OH 2.8Å
180L93.5Very high96.2Very high5 Ų533.1 Ų33.13%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-121.5142.3178.7-73.2166.2000110.7L6 I134 G135 D203 V258 Y260 L267L6-L180 HydrophobicContact CD2-CD1 3.81Å; I134-L180 WeakPolarHBondContact CA-O 3.45Å; I134-L180 HydrophobicContact CG1-CB 4.37Å; I134-L180 HydrophobicContact CG2-CB 4.38Å; G135-L180 PolarHBondContact N-O 2.76Å; L180-D203 VanDerWaalsContact CA-OD2 3.31Å; L180-D203 WeakPolarHBondContact CA-OD2 3.3Å; L180-D203 HydrophobicContact CD2-CB 3.94Å; L180-V258 HydrophobicContact CD1-CG1 4.23Å; L180-Y260 HydrophobicContact CD1-CD2 3.96Å; L180-Y260 HydrophobicContact CD1-CE2 4.38Å; L180-Y260 HydrophobicContact CD1-CG 4.42Å; L180-Y260 HydrophobicContact CD2-CD2 3.65Å; L180-Y260 HydrophobicContact CD2-CE2 3.58Å; L180-Y260 HydrophobicContact CG-CD2 3.76Å; L180-Y260 HydrophobicContact CG-CE2 3.69Å; L180-L267 HydrophobicContact CD2-CB 4.44Å
181V96.6Very high96.3Very high0 Ų031 Ų310%014%0.144CC..EExtended strand (participates in β ladder)trans-120115.4168.3173.50000108.4G135 I137 L172 K173 I202 D203G135-V181 CarbonylContact O-C 3.56Å; G135-V181 VanDerWaalsContact O-CA 3.32Å; G135-V181 WeakPolarHBondContact O-CA 3.16Å; I137-V181 HydrophobicContact CD1-CG1 3.86Å; I137-V181 HydrophobicContact CG1-CG1 4.43Å; L172-V181 HydrophobicContact CB-CG2 3.76Å; L172-V181 HydrophobicContact CD1-CG1 4.32Å; L172-V181 HydrophobicContact CD1-CG2 4.33Å; K173-V181 HydrophobicContact CD-CG2 3.97Å; K173-V181 HydrophobicContact CG-CG2 3.8Å; V181-I202 HydrophobicContact CG1-CG1 4.46Å; V181-D203 PolarHBondContact N-OD2 3.04Å; V181-D203 PolarHBondContact O-N 3.4Å
182I98.2Very high96.3Very high3 Ų327.1 Ų27.12%0.01513%0.129CC..EExtended strand (participates in β ladder)trans-104.9142.6176.7-56.2176.8000107.7I8 L47 I134 G135 I136 I137 L204 L206I8-I182 HydrophobicContact CD1-CD1 3.52Å; L47-I182 HydrophobicContact CD1-CD1 4.23Å; L47-I182 HydrophobicContact CD1-CG2 4.19Å; I134-I182 HydrophobicContact CG2-CD1 3.75Å; I134-I182 HydrophobicContact CG2-CG1 4.06Å; G135-I182 PolarHBondContact O-N 3.19Å; I136-I182 VanDerWaalsContact CA-O 3.26Å; I136-I182 WeakPolarHBondContact CA-O 3.34Å; I137-I182 PolarHBondContact N-O 3.48Å; I182-L204 CarbonylContact C-O 3.57Å; I182-L204 WeakPolarHBondContact CA-O 3.38Å; I182-L204 HydrophobicContact CD1-CD2 4.33Å; I182-L204 HydrophobicContact CG1-CB 4.37Å; I182-L204 HydrophobicContact CG1-CD2 4.34Å; I182-L204 HydrophobicContact CG2-CD2 4.37Å; I182-L204 HydrophobicContact CG2-CG 4.36Å; I182-L206 HydrophobicContact CG2-CD1 3.75Å; I182-L206 HydrophobicContact CG2-CG 3.96Å
183V98.8Very high96.3Very high0 Ų031 Ų310%014%0.144CC..EExtended strand (participates in β ladder)trans-117.6124.9171.8-174.60000109.8I137 L139 T185 L195 I202 L204 I205 L206I137-V183 HydrophobicContact CB-CG1 4.35Å; I137-V183 HydrophobicContact CB-CG2 4.03Å; I137-V183 HydrophobicContact CD1-CG2 4.26Å; I137-V183 CarbonylContact O-C 3.5Å; I137-V183 WeakPolarHBondContact O-CA 3.38Å; L139-V183 HydrophobicContact CB-CG1 4.26Å; L139-V183 HydrophobicContact CD1-CG1 3.84Å; L139-V183 HydrophobicContact CG-CG1 3.96Å; V183-T185 HydrophobicContact CB-CG2 4.5Å; V183-T185 HydrophobicContact CG1-CG2 3.66Å; V183-L195 HydrophobicContact CG1-CD2 4.12Å; V183-I202 HydrophobicContact CB-CD1 4.33Å; V183-I202 HydrophobicContact CB-CG2 4.38Å; V183-I202 HydrophobicContact CG2-CB 4.22Å; V183-I202 HydrophobicContact CG2-CD1 3.39Å; V183-I202 HydrophobicContact CG2-CG1 3.49Å; V183-I202 VanDerWaalsContact CG2-CG1 3.49Å; V183-I202 HydrophobicContact CG2-CG2 3.72Å; V183-L204 PolarHBondContact N-O 2.92Å; V183-I205 HydrophobicContact CB-CG1 4.43Å; V183-I205 WeakPolarHBondContact O-CA 3.46Å; V183-L206 PolarHBondContact O-N 2.92Å
184L98.9Very high96.5Very high0 Ų033 Ų330%016%0.156CC..EExtended strand (participates in β ladder)trans-83.5129.5163.6-54.9-175.9000107.5L47 L80 I105 I136 I137 G138 L139 L206L47-L184 HydrophobicContact CB-CD2 3.94Å; L47-L184 HydrophobicContact CD1-CD2 4.23Å; L80-L184 HydrophobicContact CB-CB 3.74Å; L80-L184 HydrophobicContact CB-CD1 4.27Å; L80-L184 HydrophobicContact CD2-CB 4.26Å; L80-L184 VanDerWaalsContact CD2-O 3.32Å; L80-L184 WeakPolarHBondContact CD2-O 3.31Å; I105-L184 HydrophobicContact CD1-CD1 4.47Å; I136-L184 HydrophobicContact CG2-CD1 4.03Å; I136-L184 HydrophobicContact CG2-CG 3.79Å; I137-L184 PolarHBondContact O-N 2.81Å; G138-L184 CarbonylContact C-O 3.49Å; G138-L184 WeakPolarHBondContact CA-O 3.31Å; L139-L184 PolarHBondContact N-O 3.1Å; L184-L206 CarbonylContact C-O 3.58Å; L184-L206 VanDerWaalsContact CA-O 3.27Å; L184-L206 WeakPolarHBondContact CA-O 3.29Å; L184-L206 HydrophobicContact CD2-CB 3.93Å; L184-L206 HydrophobicContact CD2-CD1 4.01Å; L184-L206 HydrophobicContact CD2-CG 4.47Å
185T98.8Very high96.6Very high0 Ų030.4 Ų30.40%014%0.142CC..EExtended strand (participates in β ladder)trans-126.4147.1178.663.30000110.8L139 V183 M187 D192 L195 I205 L206 G207 G208L139-T185 HydrophobicContact CB-CG2 4.44Å; L139-T185 WeakPolarHBondContact O-CA 3.43Å; V183-T185 HydrophobicContact CB-CG2 4.5Å; V183-T185 HydrophobicContact CG1-CG2 3.66Å; T185-M187 HydrophobicContact CG2-CE 3.22Å; T185-D192 WeakPolarHBondContact CB-OD1 3.46Å; T185-D192 WeakPolarHBondContact CG2-OD1 3.4Å; T185-D192 PolarHBondContact OG1-OD1 3.15Å; T185-L195 HydrophobicContact CG2-CD2 3.83Å; T185-I205 HydrophobicContact CG2-CG2 3.75Å; T185-L206 PolarHBondContact N-O 3.45Å; T185-G207 CarbonylContact O-C 3.58Å; T185-G207 VanDerWaalsContact O-CA 3.29Å; T185-G207 WeakPolarHBondContact O-CA 3.4Å; T185-G207 WeakPolarHBondContact OG1-CA 3.29Å; T185-G208 PolarHBondContact O-N 2.95Å
186H98.6Very high96.7Very high0 Ų024.2 Ų24.20%011%0.113CC..EExtended strand (participates in β ladder)trans-129.373.4169.1-157.793.2000108.5D13 S49 D51 L80 G82 L139 W144 H209D13-H186 IonicContact OD2-CE1 3.51Å; S49-H186 PolarHBondContact O-ND1 2.85Å; D51-H186 IonicContact OD1-CE1 3.18Å; D51-H186 IonicContact OD1-NE2 2.8Å; D51-H186 IonicContact OD2-CE1 3.83Å; D51-H186 PolarHBondContact OD2-CE1 2.97Å; D51-H186 IonicContact OD2-NE2 3.31Å; D51-H186 PolarHBondContact OD2-NE2 2.78Å; L80-H186 HydrophobicContact CD2-CB 3.98Å; G82-H186 VanDerWaalsContact CA-CD2 3.45Å; G82-H186 WeakPolarHBondContact CA-CD2 3.35Å; L139-H186 PolarHBondContact O-N 3.28Å; L139-H186 VanDerWaalsContact O-N 3.16Å; W144-H186 HydrophobicContact CZ2-CB 3.82Å; W144-H186 AromaticContact CZ2-CD2 3.58Å; W144-H186 AromaticContact CZ2-CG 3.91Å; W144-H186 PolarHBondContact NE1-O 3.34Å; H186-H209 VanDerWaalsContact CD2-CB 3.48Å; H186-H209 WeakPolarHBondContact CD2-CB 3.24Å; H186-H209 AromaticContact CD2-CG 3.71Å; H186-H209 AromaticContact CD2-ND1 3.47Å; H186-H209 PolarHBondContact CD2-ND1 2.74Å; H186-H209 PolarHBondContact CE1-N 3.07Å; H186-H209 WeakPolarHBondContact NE2-CA 3.32Å; H186-H209 WeakPolarHBondContact NE2-CB 3.45Å; H186-H209 AromaticContact NE2-CG 3.71Å; H186-H209 PolarHBondContact NE2-N 2.8Å; H186-H209 AromaticContact NE2-ND1 3.26Å; H186-H209 PolarHBondContact NE2-ND1 2.58Å
187M97.2Very high96.7Very high0 Ų026.3 Ų26.30%012%0.122CC..SBendtrans-142.3161.6-166.7-55.2-165.4-97.700110L139 E141 M161 T185 N191 L195 K245L139-M187 HydrophobicContact CB-CE 3.61Å; E141-M187 HydrophobicContact CB-CB 3.94Å; E141-M187 HydrophobicContact CB-CG 3.66Å; E141-M187 HydrophobicContact CB-SD 3.89Å; E141-M187 VanDerWaalsContact CD-CA 3.45Å; E141-M187 HydrophobicContact CG-CB 4.21Å; E141-M187 HydrophobicContact CG-CG 4.2Å; E141-M187 WeakPolarHBondContact OE1-CA 3.47Å; M161-M187 HydrophobicContact CB-SD 4.49Å; M161-M187 HydrophobicContact SD-CE 3.97Å; M161-M187 HydrophobicContact SD-SD 3.49Å; T185-M187 HydrophobicContact CG2-CE 3.22Å; M187-N191 HydrophobicContact CB-CB 4.13Å; M187-N191 HydrophobicContact SD-CB 4.38Å; M187-L195 HydrophobicContact CE-CD2 4.13Å; M187-K245 PolarHBondContact O-NZ 3.39Å
188R95.5Very high96.8Very high5 Ų520.8 Ų20.82%0.01910%0.099CC..  trans-72.1154.7170.3-68-65177-153.1-27113.2E141 P190 N191 D192 H209 D210 E402E141-R188 VanDerWaalsContact CD-N 3.32Å; E141-R188 PolarHBondContact OE1-N 3.26Å; E141-R188 PolarHBondContact OE2-N 3.31Å; R188-P190 VanDerWaalsContact C-N 3.34Å; R188-P190 VanDerWaalsContact O-N 3.12Å; R188-N191 WeakPolarHBondContact O-CB 3.21Å; R188-N191 PolarHBondContact O-N 2.89Å; R188-D192 PolarHBondContact O-N 3.41Å; R188-D192 VanDerWaalsContact O-N 3.15Å; R188-H209 VanDerWaalsContact CZ-CD2 3.4Å; R188-H209 PolarHBondContact NE-CD2 3.04Å; R188-H209 VanDerWaalsContact NE-CD2 3.34Å; R188-H209 PolarHBondContact NE-NE2 3.05Å; R188-H209 PolarHBondContact NH1-O 3.08Å; R188-H209 PolarHBondContact NH2-CD2 3.44Å; R188-H209 VanDerWaalsContact NH2-CD2 3.28Å; R188-H209 PolarHBondContact NH2-CE1 3.07Å; R188-H209 PolarHBondContact NH2-NE2 3.07Å; R188-H209 PolarHBondContact NH2-O 3.24Å; R188-D210 WeakPolarHBondContact CA-OD2 3.46Å; R188-D210 WeakPolarHBondContact CD-OD1 3.22Å; R188-D210 IonicContact CZ-OD1 3.33Å; R188-D210 IonicContact NE-OD1 2.69Å; R188-D210 IonicContact NH1-OD1 2.8Å; R188-D210 PolarHBondContact NH1-OD1 2.97Å; R188-E402 WeakPolarHBondContact CD-OE1 3.3Å; R188-E402 WeakPolarHBondContact CG-OE1 3.18Å; R188-E402 IonicContact CZ-OE1 2.78Å; R188-E402 IonicContact NE-OE1 3.73Å; R188-E402 PolarHBondContact NE-OE1 2.72Å; R188-E402 IonicContact NH2-OE1 3.03Å
189W95.5Very high96.9Very high18 Ų1820.5 Ų20.57%0.06810%0.097CC..Hα-helixtrans-41.7-46.1175.3-88.6109.1000116N191 D192 R193 D210 Q214 E216 V243 K245W189-N191 VanDerWaalsContact C-N 3.27Å; W189-N191 PolarHBondContact O-N 2.79Å; W189-D192 PolarHBondContact O-N 2.95Å; W189-R193 HydrophobicContact CE3-CG 4.48Å; W189-R193 WeakPolarHBondContact O-CB 3.48Å; W189-R193 VanDerWaalsContact O-CG 3.24Å; W189-R193 WeakPolarHBondContact O-CG 3.34Å; W189-R193 PolarHBondContact O-N 2.78Å; W189-D210 PolarHBondContact N-OD2 3.29Å; W189-Q214 HydrophobicContact CH2-CB 4.48Å; W189-Q214 HydrophobicContact CH2-CG 4.19Å; W189-Q214 HydrophobicContact CZ2-CB 3.69Å; W189-Q214 HydrophobicContact CZ2-CG 3.74Å; W189-Q214 WeakPolarHBondContact CZ2-O 3.48Å; W189-E216 HydrophobicContact CZ3-CB 4.3Å; W189-E216 HydrophobicContact CZ3-CG 4.37Å; W189-V243 HydrophobicContact CE3-CG1 4.26Å; W189-V243 HydrophobicContact CH2-CB 4.48Å; W189-V243 HydrophobicContact CH2-CG1 4.02Å; W189-V243 HydrophobicContact CZ3-CB 3.97Å; W189-V243 HydrophobicContact CZ3-CG1 3.54Å; W189-K245 HydrophobicContact CD2-CD 4.38Å; W189-K245 HydrophobicContact CH2-CG 4.3Å; W189-K245 HydrophobicContact CZ2-CB 4.19Å; W189-K245 HydrophobicContact CZ2-CD 3.9Å; W189-K245 HydrophobicContact CZ2-CG 3.74Å
190P95.4Very high97Very high44 Ų4418.5 Ų18.529%0.2869%0.089SC..Hα-helixtrans-60.7-35.7178.4-30.542.6000113.5R188 L194 K400R188-P190 VanDerWaalsContact C-N 3.34Å; R188-P190 VanDerWaalsContact O-N 3.12Å; P190-L194 VanDerWaalsContact O-CG 3.28Å; P190-L194 WeakPolarHBondContact O-CG 3.43Å; P190-L194 PolarHBondContact O-N 2.88Å; P190-K400 HydrophobicContact CG-CG 3.75Å
191N96.7Very high97.1Very high14 Ų1418.3 Ų18.38%0.0759%0.088CC..Hα-helixtrans-74.1-41.1178.2-76-20.3000111.4E141 E143 M161 M187 R188 W189 R193 L194 L195E141-N191 PolarHBondContact OE2-ND2 3.33Å; E143-N191 PolarHBondContact OE1-ND2 2.71Å; E143-N191 VanDerWaalsContact OE1-ND2 3.11Å; E143-N191 PolarHBondContact OE2-ND2 3.37Å; M161-N191 HydrophobicContact CE-CB 3.68Å; M161-N191 HydrophobicContact SD-CB 4.1Å; M187-N191 HydrophobicContact CB-CB 4.13Å; M187-N191 HydrophobicContact SD-CB 4.38Å; R188-N191 WeakPolarHBondContact O-CB 3.21Å; R188-N191 PolarHBondContact O-N 2.89Å; W189-N191 VanDerWaalsContact C-N 3.27Å; W189-N191 PolarHBondContact O-N 2.79Å; N191-R193 VanDerWaalsContact C-N 3.31Å; N191-R193 PolarHBondContact O-N 3.36Å; N191-L194 WeakPolarHBondContact O-CB 3.49Å; N191-L194 PolarHBondContact O-N 3.25Å; N191-L194 VanDerWaalsContact O-N 3.15Å; N191-L195 PolarHBondContact O-N 3.19Å
192D98Very high97Very high0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-60.2-40.5171.6-69.5-48.1000112.4T185 R188 W189 L194 L195 A196 V243 K245T185-D192 WeakPolarHBondContact CB-OD1 3.46Å; T185-D192 WeakPolarHBondContact CG2-OD1 3.4Å; T185-D192 PolarHBondContact OG1-OD1 3.15Å; R188-D192 PolarHBondContact O-N 3.41Å; R188-D192 VanDerWaalsContact O-N 3.15Å; W189-D192 PolarHBondContact O-N 2.95Å; D192-L194 VanDerWaalsContact C-N 3.35Å; D192-L194 PolarHBondContact O-N 2.8Å; D192-L195 PolarHBondContact O-N 2.69Å; D192-A196 WeakPolarHBondContact O-CB 3.33Å; D192-A196 PolarHBondContact O-N 3.4Å; D192-V243 HydrophobicContact CB-CG1 3.79Å; D192-K245 WeakPolarHBondContact OD2-CE 3.33Å; D192-K245 IonicContact OD2-NZ 3.65Å; D192-K245 PolarHBondContact OD2-NZ 3.14Å
193R97.6Very high96.9Very high82 Ų8218.5 Ų18.531%0.3099%0.088SC..Hα-helixtrans-64.5-38.9175.4-73.3168.3171.2153.40.5112W189 N191 K197 E216 I218W189-R193 HydrophobicContact CE3-CG 4.48Å; W189-R193 WeakPolarHBondContact O-CB 3.48Å; W189-R193 VanDerWaalsContact O-CG 3.24Å; W189-R193 WeakPolarHBondContact O-CG 3.34Å; W189-R193 PolarHBondContact O-N 2.78Å; N191-R193 VanDerWaalsContact C-N 3.31Å; N191-R193 PolarHBondContact O-N 3.36Å; R193-K197 WeakPolarHBondContact O-CB 3.07Å; R193-K197 VanDerWaalsContact O-CG 3.25Å; R193-K197 WeakPolarHBondContact O-CG 3.5Å; R193-K197 PolarHBondContact O-N 2.86Å; R193-K197 VanDerWaalsContact O-N 3.12Å; R193-E216 IonicContact CZ-OE1 3.43Å; R193-E216 IonicContact CZ-OE2 3.64Å; R193-E216 IonicContact NE-OE1 2.8Å; R193-E216 IonicContact NE-OE2 3.82Å; R193-E216 PolarHBondContact NE-OE2 2.79Å; R193-E216 IonicContact NH2-OE1 3.63Å; R193-E216 PolarHBondContact NH2-OE1 3.03Å; R193-E216 IonicContact NH2-OE2 3.49Å; R193-E216 PolarHBondContact NH2-OE2 2.92Å; R193-I218 HydrophobicContact CB-CD1 3.91Å; R193-I218 HydrophobicContact CG-CD1 3.47Å; R193-I218 VanDerWaalsContact CG-CD1 3.47Å
194L97.1Very high96.8Very high79 Ų7918.8 Ų18.841%0.4149%0.09SC..Hα-helixtrans-65-45.2174.8-75.9170.5000110.8M161 P190 N191 D192 A196 K197 N198M161-L194 HydrophobicContact CE-CB 4.17Å; P190-L194 VanDerWaalsContact O-CG 3.28Å; P190-L194 WeakPolarHBondContact O-CG 3.43Å; P190-L194 PolarHBondContact O-N 2.88Å; N191-L194 WeakPolarHBondContact O-CB 3.49Å; N191-L194 PolarHBondContact O-N 3.25Å; N191-L194 VanDerWaalsContact O-N 3.15Å; D192-L194 VanDerWaalsContact C-N 3.35Å; D192-L194 PolarHBondContact O-N 2.8Å; L194-A196 PolarHBondContact O-N 3.25Å; L194-K197 PolarHBondContact O-N 2.7Å; L194-N198 WeakPolarHBondContact O-CB 3.12Å; L194-N198 PolarHBondContact O-N 2.75Å; L194-N198 PolarHBondContact O-ND2 2.61Å
195L98.1Very high96.8Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-58.5-50177-174.471.4000111.2L139 V183 T185 M187 N191 D192 K197 N198 V199 I202 I205L139-L195 HydrophobicContact CD1-CD1 3.69Å; L139-L195 HydrophobicContact CD1-CD2 3.85Å; L139-L195 HydrophobicContact CD1-CG 4.45Å; V183-L195 HydrophobicContact CG1-CD2 4.12Å; T185-L195 HydrophobicContact CG2-CD2 3.83Å; M187-L195 HydrophobicContact CE-CD2 4.13Å; N191-L195 PolarHBondContact O-N 3.19Å; D192-L195 PolarHBondContact O-N 2.69Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.99Å; L195-N198 PolarHBondContact O-N 2.96Å; L195-N198 VanDerWaalsContact O-N 3.13Å; L195-V199 HydrophobicContact CD1-CB 4.47Å; L195-V199 HydrophobicContact CD1-CG2 3.61Å; L195-V199 HydrophobicContact CG-CG2 4.39Å; L195-V199 PolarHBondContact O-N 3.28Å; L195-V199 VanDerWaalsContact O-N 3.1Å; L195-I202 HydrophobicContact CD1-CD1 4.05Å; L195-I202 HydrophobicContact CD2-CD1 4.1Å; L195-I202 HydrophobicContact CG-CD1 3.95Å; L195-I205 HydrophobicContact CB-CD1 4.28Å; L195-I205 HydrophobicContact CD2-CD1 3.86Å; L195-I205 HydrophobicContact CD2-CG1 4.26Å; L195-I205 HydrophobicContact CG-CD1 4.05Å
196A97.6Very high96.8Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-59.2-3717900000113.1D192 L194 I205 I218 R241 V243D192-A196 WeakPolarHBondContact O-CB 3.33Å; D192-A196 PolarHBondContact O-N 3.4Å; L194-A196 PolarHBondContact O-N 3.25Å; A196-I205 HydrophobicContact CB-CD1 3.72Å; A196-I218 HydrophobicContact CB-CB 3.83Å; A196-I218 HydrophobicContact CB-CD1 3.79Å; A196-I218 HydrophobicContact CB-CG1 4.37Å; A196-I218 HydrophobicContact CB-CG2 3.8Å; A196-R241 HydrophobicContact CB-CB 4.43Å; A196-R241 WeakPolarHBondContact O-CD 3.44Å; A196-V243 HydrophobicContact CB-CG2 3.8Å
197K97.2Very high96.8Very high97 Ų9718.8 Ų18.842%0.4229%0.09SC..Hα-helixtrans-74-28.8178.1-75.2173.7-176.7179.90113.3R193 L194 L195 I218 L220 D221 L224R193-K197 WeakPolarHBondContact O-CB 3.07Å; R193-K197 VanDerWaalsContact O-CG 3.25Å; R193-K197 WeakPolarHBondContact O-CG 3.5Å; R193-K197 PolarHBondContact O-N 2.86Å; R193-K197 VanDerWaalsContact O-N 3.12Å; L194-K197 PolarHBondContact O-N 2.7Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.99Å; K197-I218 HydrophobicContact CG-CG2 3.67Å; K197-L220 WeakPolarHBondContact O-CD1 3.1Å; K197-D221 WeakPolarHBondContact O-CB 3.39Å; K197-D221 PolarHBondContact O-N 3.44Å; K197-L224 WeakPolarHBondContact O-CD1 3.38Å
198N96.6Very high96.8Very high40 Ų4018.8 Ų18.821%0.2149%0.09CC..Hα-helixtrans-113.7-3.5-163.4-67.6-77.1000115.8I162 L194 L195 P200I162-N198 HydrophobicContact CD1-CB 3.81Å; I162-N198 HydrophobicContact CG1-CB 4.16Å; I162-N198 HydrophobicContact CG2-CB 3.78Å; L194-N198 WeakPolarHBondContact O-CB 3.12Å; L194-N198 PolarHBondContact O-N 2.75Å; L194-N198 PolarHBondContact O-ND2 2.61Å; L195-N198 PolarHBondContact O-N 2.96Å; L195-N198 VanDerWaalsContact O-N 3.13Å; N198-P200 WeakPolarHBondContact O-CD 3.07Å
199V96.2Very high96.9Very high0 Ų019 Ų190%09%0.091CC..  trans-123.190.8-177.7-173.10000111.3I162 R166 L195 E201 I202 R241I162-V199 HydrophobicContact CB-CG2 4.36Å; I162-V199 HydrophobicContact CG2-CG2 3.95Å; R166-V199 HydrophobicContact CG-CB 4.35Å; R166-V199 HydrophobicContact CG-CG1 3.95Å; R166-V199 HydrophobicContact CG-CG2 4.1Å; L195-V199 HydrophobicContact CD1-CB 4.47Å; L195-V199 HydrophobicContact CD1-CG2 3.61Å; L195-V199 HydrophobicContact CG-CG2 4.39Å; L195-V199 PolarHBondContact O-N 3.28Å; L195-V199 VanDerWaalsContact O-N 3.1Å; V199-E201 HydrophobicContact CG1-CB 4.39Å; V199-E201 WeakPolarHBondContact CG1-OE2 3.26Å; V199-E201 PolarHBondContact O-N 2.94Å; V199-E201 VanDerWaalsContact O-N 3.13Å; V199-I202 HydrophobicContact CB-CD1 3.7Å; V199-I202 HydrophobicContact CB-CG1 4.2Å; V199-I202 HydrophobicContact CG1-CB 4.42Å; V199-I202 HydrophobicContact CG1-CD1 3.46Å; V199-I202 VanDerWaalsContact CG1-CD1 3.46Å; V199-I202 HydrophobicContact CG1-CG1 3.59Å; V199-I202 HydrophobicContact CG2-CD1 4.28Å; V199-I202 PolarHBondContact O-N 3.15Å; V199-R241 PolarHBondContact O-NE 3.27Å; V199-R241 PolarHBondContact O-NH2 3.28Å
200P94.8Very high96.9Very high2 Ų218.3 Ų18.31%0.0139%0.089CC..THydrogen-bonded Turntrans-65.1-10.3-178.424-32.2000115N198 L220 L230 I237 R241N198-P200 WeakPolarHBondContact O-CD 3.07Å; P200-L220 HydrophobicContact CB-CD1 4.13Å; P200-L220 HydrophobicContact CB-CD2 3.91Å; P200-L230 HydrophobicContact CB-CD1 4.03Å; P200-L230 HydrophobicContact CG-CD1 3.63Å; P200-I237 HydrophobicContact CB-CD1 4.21Å; P200-I237 HydrophobicContact CB-CG2 4.21Å; P200-I237 WeakPolarHBondContact O-CG2 3.48Å; P200-R241 PolarHBondContact O-NH2 2.79Å
201E95Very high96.8Very high1 Ų116.6 Ų16.61%0.0058%0.077CC..THydrogen-bonded Turntrans-84.5-18.8-179.3-6074.4-167.800114.3R166 Q170 K173 V199 L232R166-E201 IonicContact NE-OE1 2.74Å; Q170-E201 HydrophobicContact CB-CG 4.14Å; K173-E201 VanDerWaalsContact CE-O 3.32Å; K173-E201 WeakPolarHBondContact CE-O 3.39Å; V199-E201 HydrophobicContact CG1-CB 4.39Å; V199-E201 WeakPolarHBondContact CG1-OE2 3.26Å; V199-E201 PolarHBondContact O-N 2.94Å; V199-E201 VanDerWaalsContact O-N 3.13Å; E201-L232 HydrophobicContact CB-CD1 4.07Å; E201-L232 HydrophobicContact CG-CD1 3.68Å; E201-L232 HydrophobicContact CG-CG 4.37Å
202I95.3Very high96.7Very high0 Ų018 Ų180%08%0.083CC..  trans-90133.3-175.3-65.4169.9000111.7V181 V183 L195 V199 I205 R241V181-I202 HydrophobicContact CG1-CG1 4.46Å; V183-I202 HydrophobicContact CB-CD1 4.33Å; V183-I202 HydrophobicContact CB-CG2 4.38Å; V183-I202 HydrophobicContact CG2-CB 4.22Å; V183-I202 HydrophobicContact CG2-CD1 3.39Å; V183-I202 HydrophobicContact CG2-CG1 3.49Å; V183-I202 VanDerWaalsContact CG2-CG1 3.49Å; V183-I202 HydrophobicContact CG2-CG2 3.72Å; L195-I202 HydrophobicContact CD1-CD1 4.05Å; L195-I202 HydrophobicContact CD2-CD1 4.1Å; L195-I202 HydrophobicContact CG-CD1 3.95Å; V199-I202 HydrophobicContact CB-CD1 3.7Å; V199-I202 HydrophobicContact CB-CG1 4.2Å; V199-I202 HydrophobicContact CG1-CB 4.42Å; V199-I202 HydrophobicContact CG1-CD1 3.46Å; V199-I202 VanDerWaalsContact CG1-CD1 3.46Å; V199-I202 HydrophobicContact CG1-CG1 3.59Å; V199-I202 HydrophobicContact CG2-CD1 4.28Å; V199-I202 PolarHBondContact O-N 3.15Å; I202-I205 HydrophobicContact CG2-CD1 4.39Å; I202-I205 HydrophobicContact CG2-CG1 3.77Å; I202-R241 PolarHBondContact O-NE 2.63Å; I202-R241 PolarHBondContact O-NH2 2.77Å
203D95.1Very high96.7Very high6 Ų620 Ų203%0.0329%0.091CC..SBendtrans-94-34.4177.5-52.9-71.6000113.5K173 L180 V181 L267K173-D203 WeakPolarHBondContact CE-OD2 3.44Å; K173-D203 VanDerWaalsContact NZ-CG 3.27Å; K173-D203 IonicContact NZ-OD1 3.58Å; K173-D203 PolarHBondContact NZ-OD1 3.01Å; K173-D203 VanDerWaalsContact NZ-OD1 3.09Å; K173-D203 IonicContact NZ-OD2 3.31Å; K173-D203 PolarHBondContact NZ-OD2 2.95Å; L180-D203 VanDerWaalsContact CA-OD2 3.31Å; L180-D203 WeakPolarHBondContact CA-OD2 3.3Å; L180-D203 HydrophobicContact CD2-CB 3.94Å; V181-D203 PolarHBondContact N-OD2 3.04Å; V181-D203 PolarHBondContact O-N 3.4Å; D203-L267 HydrophobicContact CB-CD2 4.35Å
204L97.4Very high96.7Very high6 Ų619.7 Ų19.73%0.0319%0.093CC..EExtended strand (participates in β ladder)trans-145.4136.7-171.7173.862.4000110.1I8 I182 V183 L206 L242 L256 I270I8-L204 HydrophobicContact CD1-CD2 4.11Å; I182-L204 CarbonylContact C-O 3.57Å; I182-L204 WeakPolarHBondContact CA-O 3.38Å; I182-L204 HydrophobicContact CD1-CD2 4.33Å; I182-L204 HydrophobicContact CG1-CB 4.37Å; I182-L204 HydrophobicContact CG1-CD2 4.34Å; I182-L204 HydrophobicContact CG2-CD2 4.37Å; I182-L204 HydrophobicContact CG2-CG 4.36Å; V183-L204 PolarHBondContact N-O 2.92Å; L204-L206 HydrophobicContact CD1-CD2 3.91Å; L204-L206 HydrophobicContact CD2-CD2 3.93Å; L204-L206 HydrophobicContact CD2-CG 4.29Å; L204-L206 HydrophobicContact CG-CD2 3.84Å; L204-L206 HydrophobicContact CG-CG 4.13Å; L204-L242 HydrophobicContact CD1-CB 3.75Å; L204-L242 HydrophobicContact CD1-CD2 3.81Å; L204-L242 HydrophobicContact CD1-CG 3.94Å; L204-L256 HydrophobicContact CD1-CD1 4.24Å; L204-L256 HydrophobicContact CD2-CD1 3.9Å; L204-I270 HydrophobicContact CD1-CD1 4.1Å
205I98.7Very high96.7Very high0 Ų021.3 Ų21.30%09%0.094CC..EExtended strand (participates in β ladder)trans-117.1125.7174.1-62.6165.5000108.6V183 T185 L195 A196 I202 L242 V243 I244V183-I205 HydrophobicContact CB-CG1 4.43Å; V183-I205 WeakPolarHBondContact O-CA 3.46Å; T185-I205 HydrophobicContact CG2-CG2 3.75Å; L195-I205 HydrophobicContact CB-CD1 4.28Å; L195-I205 HydrophobicContact CD2-CD1 3.86Å; L195-I205 HydrophobicContact CD2-CG1 4.26Å; L195-I205 HydrophobicContact CG-CD1 4.05Å; A196-I205 HydrophobicContact CB-CD1 3.72Å; I202-I205 HydrophobicContact CG2-CD1 4.39Å; I202-I205 HydrophobicContact CG2-CG1 3.77Å; I205-L242 PolarHBondContact N-O 3.01Å; I205-V243 HydrophobicContact CB-CB 4.48Å; I205-V243 HydrophobicContact CB-CG1 4.4Å; I205-V243 HydrophobicContact CB-CG2 4.08Å; I205-V243 HydrophobicContact CD1-CG2 4.04Å; I205-V243 HydrophobicContact CG2-CG1 4.1Å; I205-V243 HydrophobicContact CG2-CG2 4.48Å; I205-V243 WeakPolarHBondContact O-CA 3.42Å; I205-I244 PolarHBondContact O-N 3.34Å
206L98.9Very high96.7Very high0 Ų023.9 Ų23.90%011%0.106CC..EExtended strand (participates in β ladder)trans-116.7112.6176.6-54178.9000107.2I8 H10 L47 S49 I182 V183 L184 T185 L204 I244 L256I8-L206 HydrophobicContact CG2-CD1 4.21Å; H10-L206 HydrophobicContact CB-CD1 4.15Å; H10-L206 HydrophobicContact CB-CD2 4.27Å; L47-L206 HydrophobicContact CB-CD1 4.14Å; L47-L206 HydrophobicContact CD1-CD1 3.52Å; L47-L206 HydrophobicContact CG-CD1 4.43Å; S49-L206 PolarHBondContact OG-O 2.78Å; S49-L206 VanDerWaalsContact OG-O 3.08Å; I182-L206 HydrophobicContact CG2-CD1 3.75Å; I182-L206 HydrophobicContact CG2-CG 3.96Å; V183-L206 PolarHBondContact O-N 2.92Å; L184-L206 CarbonylContact C-O 3.58Å; L184-L206 VanDerWaalsContact CA-O 3.27Å; L184-L206 WeakPolarHBondContact CA-O 3.29Å; L184-L206 HydrophobicContact CD2-CB 3.93Å; L184-L206 HydrophobicContact CD2-CD1 4.01Å; L184-L206 HydrophobicContact CD2-CG 4.47Å; T185-L206 PolarHBondContact N-O 3.45Å; L204-L206 HydrophobicContact CD1-CD2 3.91Å; L204-L206 HydrophobicContact CD2-CD2 3.93Å; L204-L206 HydrophobicContact CD2-CG 4.29Å; L204-L206 HydrophobicContact CG-CD2 3.84Å; L204-L206 HydrophobicContact CG-CG 4.13Å; L206-I244 HydrophobicContact CD2-CG2 3.29Å; L206-L256 HydrophobicContact CD2-CD1 3.61Å
207G98.6Very high96.7Very high0 Ų028.5 Ų28.50%012%0.124CC..EExtended strand (participates in β ladder)trans-116153.2-169.100000114.4H10 N12 T185 I244 K245H10-G207 PolarHBondContact CE1-O 2.88Å; N12-G207 PolarHBondContact OD1-O 2.91Å; T185-G207 CarbonylContact O-C 3.58Å; T185-G207 VanDerWaalsContact O-CA 3.29Å; T185-G207 WeakPolarHBondContact O-CA 3.4Å; T185-G207 WeakPolarHBondContact OG1-CA 3.29Å; G207-I244 PolarHBondContact N-O 3.26Å; G207-K245 WeakPolarHBondContact O-CA 3.44Å
208G97.9Very high96.7Very high0 Ų024.4 Ų24.40%011%0.107CC..EExtended strand (participates in β ladder)trans-113.5-155166.700000113D13 T185 D210 K245D13-G208 WeakPolarHBondContact OD2-CA 3.3Å; T185-G208 PolarHBondContact O-N 2.95Å; G208-D210 PolarHBondContact O-N 3.02Å; G208-K245 PolarHBondContact O-NZ 2.99Å
209H96.8Very high96.7Very high9 Ų927.7 Ų27.74%0.04212%0.119CC..SBendtrans74.2-35.3174.4-157.555.2000116.1D13 N83 E141 H186 R188 H211 E402D13-H209 PolarHBondContact OD2-N 3.33Å; N83-H209 PolarHBondContact OD1-CE1 2.9Å; N83-H209 PolarHBondContact OD1-ND1 2.62Å; E141-H209 IonicContact OE1-CD2 2.66Å; E141-H209 PolarHBondContact OE1-CD2 3.4Å; E141-H209 IonicContact OE1-NE2 3.09Å; E141-H209 PolarHBondContact OE1-NE2 3.28Å; H186-H209 VanDerWaalsContact CD2-CB 3.48Å; H186-H209 WeakPolarHBondContact CD2-CB 3.24Å; H186-H209 AromaticContact CD2-CG 3.71Å; H186-H209 AromaticContact CD2-ND1 3.47Å; H186-H209 PolarHBondContact CD2-ND1 2.74Å; H186-H209 PolarHBondContact CE1-N 3.07Å; H186-H209 WeakPolarHBondContact NE2-CA 3.32Å; H186-H209 WeakPolarHBondContact NE2-CB 3.45Å; H186-H209 AromaticContact NE2-CG 3.71Å; H186-H209 PolarHBondContact NE2-N 2.8Å; H186-H209 AromaticContact NE2-ND1 3.26Å; H186-H209 PolarHBondContact NE2-ND1 2.58Å; R188-H209 VanDerWaalsContact CZ-CD2 3.4Å; R188-H209 PolarHBondContact NE-CD2 3.04Å; R188-H209 VanDerWaalsContact NE-CD2 3.34Å; R188-H209 PolarHBondContact NE-NE2 3.05Å; R188-H209 PolarHBondContact NH1-O 3.08Å; R188-H209 PolarHBondContact NH2-CD2 3.44Å; R188-H209 VanDerWaalsContact NH2-CD2 3.28Å; R188-H209 PolarHBondContact NH2-CE1 3.07Å; R188-H209 PolarHBondContact NH2-NE2 3.07Å; R188-H209 PolarHBondContact NH2-O 3.24Å; H209-H211 PolarHBondContact O-CD2 2.76Å; H209-E402 IonicContact NE2-OE1 3.6Å
210D95.5Very high96.7Very high5 Ų527.9 Ų27.93%0.02712%0.12CC..SBendtrans-92.9133.3165.7-61-65.5000109.2R188 W189 G208 K245R188-D210 WeakPolarHBondContact CA-OD2 3.46Å; R188-D210 WeakPolarHBondContact CD-OD1 3.22Å; R188-D210 IonicContact CZ-OD1 3.33Å; R188-D210 IonicContact NE-OD1 2.69Å; R188-D210 IonicContact NH1-OD1 2.8Å; R188-D210 PolarHBondContact NH1-OD1 2.97Å; W189-D210 PolarHBondContact N-OD2 3.29Å; G208-D210 PolarHBondContact O-N 3.02Å; D210-K245 HydrophobicContact CB-CD 3.64Å; D210-K245 WeakPolarHBondContact OD2-CE 3.16Å; D210-K245 IonicContact OD2-NZ 2.67Å; D210-K245 PolarHBondContact OD2-NZ 3Å
211H94.7Very high96.6Very high8 Ų830.8 Ų30.84%0.03714%0.135CC..  trans-91.9-7.4-167.2-63.1-170.1000113.3D13 Y15 H209 G247 S248 S317 D354D13-H211 IonicContact OD1-CD2 3.35Å; D13-H211 PolarHBondContact OD1-CD2 3.05Å; D13-H211 VanDerWaalsContact OD1-CD2 3.28Å; D13-H211 IonicContact OD1-NE2 3.68Å; D13-H211 PolarHBondContact OD1-NE2 3.15Å; Y15-H211 AromaticContact CE2-CE1 3.9Å; Y15-H211 PolarHBondContact OH-NE2 3.21Å; H209-H211 PolarHBondContact O-CD2 2.76Å; H211-G247 CarbonylContact O-C 3.58Å; H211-G247 VanDerWaalsContact O-CA 3.28Å; H211-G247 WeakPolarHBondContact O-CA 3.44Å; H211-S248 PolarHBondContact O-OG 3.12Å; H211-S317 PolarHBondContact ND1-OG 3.08Å; H211-D354 IonicContact CE1-OD2 3.65Å; H211-D354 IonicContact CG-OD1 3.75Å; H211-D354 IonicContact CG-OD2 2.95Å; H211-D354 IonicContact ND1-OD1 2.75Å; H211-D354 PolarHBondContact ND1-OD1 3.48Å; H211-D354 IonicContact ND1-OD2 3.71Å; H211-D354 PolarHBondContact ND1-OD2 2.95Å
212E94.2Very high96.3Very high43 Ų4335.2 Ų35.220%0.20116%0.156CC..SBendtrans-84139.4176.6-64.182.7-156.700111.9Q214 N318E212-Q214 PolarHBondContact O-N 2.59Å; E212-N318 HydrophobicContact CG-CB 4.44Å; E212-N318 WeakPolarHBondContact OE1-CB 3.45Å; E212-N318 VanDerWaalsContact OE1-CG 3.31Å; E212-N318 PolarHBondContact OE1-N 3.19Å
213Y97Very high96.1Very high43 Ų4340.4 Ų40.417%0.16918%0.184CC..EExtended strand (participates in β ladder)trans-70.8115.6167.7-172.6-79.2000109.7Y215 K245 S254 Q274Y213-Y215 HydrophobicContact CE1-CD1 4.28Å; Y213-K245 WeakPolarHBondContact CA-O 3.49Å; Y213-S254 WeakPolarHBondContact CE2-OG 3.25Å; Y213-S254 PolarHBondContact OH-OG 3.4Å; Y213-Q274 HydrophobicContact CD1-CB 4.44Å; Y213-Q274 VanDerWaalsContact CD1-CD 3.41Å; Y213-Q274 HydrophobicContact CD1-CG 4.02Å; Y213-Q274 HydrophobicContact CD2-CG 3.81Å; Y213-Q274 HydrophobicContact CE1-CB 3.72Å; Y213-Q274 HydrophobicContact CE1-CG 3.78Å; Y213-Q274 HydrophobicContact CE2-CB 3.92Å; Y213-Q274 HydrophobicContact CE2-CG 3.55Å; Y213-Q274 HydrophobicContact CG-CG 4.06Å; Y213-Q274 VanDerWaalsContact CG-NE2 3.27Å; Y213-Q274 VanDerWaalsContact CZ-CB 3.44Å; Y213-Q274 WeakPolarHBondContact OH-CA 3.48Å; Y213-Q274 WeakPolarHBondContact OH-CB 3.44Å
214Q97.4Very high95.8Very high75 Ų7541.3 Ų41.335%0.3519%0.188SC..EExtended strand (participates in β ladder)trans-157.3148.4176.7177.9172.8-6.300110.6W189 E212 E216 K245W189-Q214 HydrophobicContact CH2-CB 4.48Å; W189-Q214 HydrophobicContact CH2-CG 4.19Å; W189-Q214 HydrophobicContact CZ2-CB 3.69Å; W189-Q214 HydrophobicContact CZ2-CG 3.74Å; W189-Q214 WeakPolarHBondContact CZ2-O 3.48Å; E212-Q214 PolarHBondContact O-N 2.59Å; Q214-E216 PolarHBondContact NE2-OE1 2.89Å; Q214-K245 PolarHBondContact N-O 3.08Å; Q214-K245 PolarHBondContact O-N 3.04Å
215Y98.1Very high95.3Very high112 Ų11242.5 Ų42.544%0.43920%0.195SC..EExtended strand (participates in β ladder)trans-134.6151.8168.968.2-92.2000111.5Y213 L242 V243 I272Y213-Y215 HydrophobicContact CE1-CD1 4.28Å; Y215-L242 HydrophobicContact CD2-CD1 3.83Å; Y215-L242 HydrophobicContact CG-CD1 4.25Å; Y215-V243 CarbonylContact C-O 3.58Å; Y215-V243 WeakPolarHBondContact CA-O 3.47Å; Y215-V243 WeakPolarHBondContact CB-O 3.34Å; Y215-I272 HydrophobicContact CD1-CD1 4.35Å; Y215-I272 HydrophobicContact CD1-CG2 4.39Å; Y215-I272 HydrophobicContact CD2-CD1 3.7Å; Y215-I272 HydrophobicContact CE1-CD1 4.43Å; Y215-I272 HydrophobicContact CE1-CG2 4.43Å; Y215-I272 HydrophobicContact CE2-CD1 3.8Å; Y215-I272 HydrophobicContact CG-CD1 3.99Å
216E97.9Very high94.7Very high54 Ų5448.3 Ų48.325%0.25223%0.225SC..EExtended strand (participates in β ladder)trans-138.1140.5175-73.4-173.7173.700111W189 R193 Q214 I218 V243W189-E216 HydrophobicContact CZ3-CB 4.3Å; W189-E216 HydrophobicContact CZ3-CG 4.37Å; R193-E216 IonicContact CZ-OE1 3.43Å; R193-E216 IonicContact CZ-OE2 3.64Å; R193-E216 IonicContact NE-OE1 2.8Å; R193-E216 IonicContact NE-OE2 3.82Å; R193-E216 PolarHBondContact NE-OE2 2.79Å; R193-E216 IonicContact NH2-OE1 3.63Å; R193-E216 PolarHBondContact NH2-OE1 3.03Å; R193-E216 IonicContact NH2-OE2 3.49Å; R193-E216 PolarHBondContact NH2-OE2 2.92Å; Q214-E216 PolarHBondContact NE2-OE1 2.89Å; E216-I218 HydrophobicContact CB-CG1 4.18Å; E216-V243 PolarHBondContact N-O 2.88Å; E216-V243 PolarHBondContact O-N 2.74Å
217W97.5Very high94Very high98 Ų9850.1 Ų50.137%0.37124%0.235SC..EExtended strand (participates in β ladder)trans-90.8113167.1-72.195.4000109.4Q240 R241 L242 I270W217-Q240 HydrophobicContact CE3-CB 4.03Å; W217-R241 WeakPolarHBondContact CA-O 3.45Å; W217-L242 HydrophobicContact CD2-CB 4.34Å; W217-L242 HydrophobicContact CD2-CD1 4.23Å; W217-L242 HydrophobicContact CE3-CB 4.07Å; W217-L242 HydrophobicContact CH2-CB 4Å; W217-L242 HydrophobicContact CZ2-CB 4.24Å; W217-L242 HydrophobicContact CZ2-CD1 4.26Å; W217-L242 HydrophobicContact CZ2-CD2 4.48Å; W217-L242 HydrophobicContact CZ3-CB 3.9Å; W217-I270 HydrophobicContact CH2-CB 4Å; W217-I270 HydrophobicContact CH2-CD1 4.14Å; W217-I270 HydrophobicContact CH2-CG1 4.09Å; W217-I270 HydrophobicContact CZ2-CB 4.19Å
218I97.2Very high93.2Very high11 Ų1161.3 Ų61.36%0.05628%0.277CS..EExtended strand (participates in β ladder)trans-107.5128.4-173.6-56.6-177.2000109.7R193 A196 K197 E216 Q240 R241 V243R193-I218 HydrophobicContact CB-CD1 3.91Å; R193-I218 HydrophobicContact CG-CD1 3.47Å; R193-I218 VanDerWaalsContact CG-CD1 3.47Å; A196-I218 HydrophobicContact CB-CB 3.83Å; A196-I218 HydrophobicContact CB-CD1 3.79Å; A196-I218 HydrophobicContact CB-CG1 4.37Å; A196-I218 HydrophobicContact CB-CG2 3.8Å; K197-I218 HydrophobicContact CG-CG2 3.67Å; E216-I218 HydrophobicContact CB-CG1 4.18Å; I218-Q240 WeakPolarHBondContact O-CA 3.39Å; I218-R241 PolarHBondContact N-O 3.3Å; I218-R241 PolarHBondContact O-N 2.78Å; I218-V243 HydrophobicContact CD1-CB 4.26Å; I218-V243 HydrophobicContact CD1-CG2 3.51Å; I218-V243 HydrophobicContact CG1-CG2 4.18Å
219K96.5Very high92.3Very high109 Ų10967 Ų6747%0.47431%0.307SS..EExtended strand (participates in β ladder)trans-77128.3175.2-166.8-179.8178-174.90110.3E222 I239K219-E222 VanDerWaalsContact CE-CD 3.49Å; K219-E222 WeakPolarHBondContact CE-OE1 3.4Å; K219-E222 VanDerWaalsContact NZ-CD 3.27Å; K219-E222 IonicContact NZ-OE1 3.76Å; K219-E222 PolarHBondContact NZ-OE1 3.15Å; K219-E222 IonicContact NZ-OE2 3.98Å; K219-I239 WeakPolarHBondContact CA-O 3.43Å; K219-I239 HydrophobicContact CG-CG2 4.01Å
220L95.5Very high91.7Very high4 Ų467.1 Ų67.12%0.02131%0.308CS..  trans-57.7145.1169.7-177.373.7000110.3K197 P200 E222 L224 L225 I237 I239K197-L220 WeakPolarHBondContact O-CD1 3.1Å; P200-L220 HydrophobicContact CB-CD1 4.13Å; P200-L220 HydrophobicContact CB-CD2 3.91Å; L220-E222 PolarHBondContact O-N 2.92Å; L220-L224 HydrophobicContact CD1-CD1 3.97Å; L220-L224 HydrophobicContact CG-CD1 4.5Å; L220-L225 HydrophobicContact CD2-CD2 3.8Å; L220-L225 HydrophobicContact CD2-CG 4.11Å; L220-I237 HydrophobicContact CD2-CG2 4.02Å; L220-I239 PolarHBondContact N-O 3.15Å
221D93.8Very high91.3Very high62 Ų6272.1 Ų72.133%0.33234%0.335SS..  trans-63.7108.4165.2-176.5-4.8000109.5K197 N223 L224K197-D221 WeakPolarHBondContact O-CB 3.39Å; K197-D221 PolarHBondContact O-N 3.44Å; D221-N223 PolarHBondContact O-N 2.9Å; D221-N223 VanDerWaalsContact O-N 3.12Å; D221-N223 VanDerWaalsContact OD1-CB 3.3Å; D221-N223 WeakPolarHBondContact OD1-CB 3.43Å; D221-N223 PolarHBondContact OD1-N 2.86Å; D221-N223 PolarHBondContact OD1-ND2 2.65Å; D221-L224 HydrophobicContact CB-CD1 3.97Å; D221-L224 HydrophobicContact CB-CG 4.17Å; D221-L224 VanDerWaalsContact O-CB 3.24Å; D221-L224 WeakPolarHBondContact O-CB 3.34Å; D221-L224 WeakPolarHBondContact O-CG 3.38Å; D221-L224 PolarHBondContact O-N 3.37Å
222E88.7Confident90.9Very high94 Ų9473.1 Ų73.144%0.43934%0.34SS..G310 helixtrans-63-19.2-177-68.6-179.6168.600112.9K219 L220 L224 L225K219-E222 VanDerWaalsContact CE-CD 3.49Å; K219-E222 WeakPolarHBondContact CE-OE1 3.4Å; K219-E222 VanDerWaalsContact NZ-CD 3.27Å; K219-E222 IonicContact NZ-OE1 3.76Å; K219-E222 PolarHBondContact NZ-OE1 3.15Å; K219-E222 IonicContact NZ-OE2 3.98Å; L220-E222 PolarHBondContact O-N 2.92Å; E222-L224 PolarHBondContact O-N 3.04Å; E222-L225 WeakPolarHBondContact O-CB 3.45Å; E222-L225 PolarHBondContact O-N 2.81Å
223N91.4Very high90.5Very high110 Ų11075 Ų7559%0.58835%0.352SS*.G310 helixtrans-62.1-26.9172.7-63.1-52.9000111.8D221 L225 L226 D227D221-N223 PolarHBondContact O-N 2.9Å; D221-N223 VanDerWaalsContact O-N 3.12Å; D221-N223 VanDerWaalsContact OD1-CB 3.3Å; D221-N223 WeakPolarHBondContact OD1-CB 3.43Å; D221-N223 PolarHBondContact OD1-N 2.86Å; D221-N223 PolarHBondContact OD1-ND2 2.65Å; N223-L225 PolarHBondContact O-N 2.83Å; N223-L226 WeakPolarHBondContact O-CB 3.36Å; N223-L226 PolarHBondContact O-N 3.14Å; N223-D227 PolarHBondContact O-N 3.25Å
224L88.9Confident90Very high24 Ų2478.5 Ų78.513%0.12636%0.364CS..G310 helixtrans-67.9-26.5175.2-61.3170.6000112.3K197 L220 D221 E222 L226 D227 L230K197-L224 WeakPolarHBondContact O-CD1 3.38Å; L220-L224 HydrophobicContact CD1-CD1 3.97Å; L220-L224 HydrophobicContact CG-CD1 4.5Å; D221-L224 HydrophobicContact CB-CD1 3.97Å; D221-L224 HydrophobicContact CB-CG 4.17Å; D221-L224 VanDerWaalsContact O-CB 3.24Å; D221-L224 WeakPolarHBondContact O-CB 3.34Å; D221-L224 WeakPolarHBondContact O-CG 3.38Å; D221-L224 PolarHBondContact O-N 3.37Å; E222-L224 PolarHBondContact O-N 3.04Å; L224-L226 PolarHBondContact O-N 3.35Å; L224-D227 WeakPolarHBondContact O-CB 3.45Å; L224-D227 PolarHBondContact O-N 3.19Å; L224-L230 WeakPolarHBondContact O-CD2 3.43Å
225L86.8Confident89.3Confident31 Ų3181.4 Ų81.416%0.16238%0.383CS..G310 helixtrans-72-14173.3-57.9178.5000112L220 E222 N223 L230 R234 I237L220-L225 HydrophobicContact CD2-CD2 3.8Å; L220-L225 HydrophobicContact CD2-CG 4.11Å; E222-L225 WeakPolarHBondContact O-CB 3.45Å; E222-L225 PolarHBondContact O-N 2.81Å; N223-L225 PolarHBondContact O-N 2.83Å; L225-L230 HydrophobicContact CD2-CD2 4.14Å; L225-R234 WeakPolarHBondContact O-CD 3.4Å; L225-R234 PolarHBondContact O-NE 2.73Å; L225-R234 PolarHBondContact O-NH1 3.01Å; L225-R234 PolarHBondContact O-NH2 2.91Å; L225-I237 HydrophobicContact CD2-CB 4.36Å; L225-I237 HydrophobicContact CD2-CD1 3.83Å; L225-I237 HydrophobicContact CD2-CG2 4.12Å
226L86.4Confident88.6Confident122 Ų12280.6 Ų80.664%0.63938%0.381SS*.G310 helixtrans-92.6-13.3174.1-56.5176.3000112.4N223 L224 R228N223-L226 WeakPolarHBondContact O-CB 3.36Å; N223-L226 PolarHBondContact O-N 3.14Å; L224-L226 PolarHBondContact O-N 3.35Å; L226-R228 PolarHBondContact O-N 3.29Å
227D84Confident88.1Confident38 Ų3878.7 Ų78.720%0.20337%0.372CS..  trans-55.4129.8178.1-171.9-4.4000110.4R166 N223 L224 N229 L230 R234R166-D227 IonicContact CZ-OD2 2.75Å; R166-D227 IonicContact NH1-OD2 2.86Å; R166-D227 PolarHBondContact NH1-OD2 3.17Å; R166-D227 IonicContact NH2-OD2 3.6Å; R166-D227 PolarHBondContact NH2-OD2 2.9Å; N223-D227 PolarHBondContact O-N 3.25Å; L224-D227 WeakPolarHBondContact O-CB 3.45Å; L224-D227 PolarHBondContact O-N 3.19Å; D227-N229 VanDerWaalsContact C-N 3.28Å; D227-N229 WeakPolarHBondContact OD1-CB 3.37Å; D227-N229 PolarHBondContact OD1-N 2.77Å; D227-L230 HydrophobicContact CB-CB 4.2Å; D227-R234 PolarHBondContact O-NH2 3.42Å; D227-R234 VanDerWaalsContact O-NH2 3.15Å
228R80.7Confident87.5Confident235 Ų23575.1 Ų75.189%0.88736%0.362SS*.THydrogen-bonded Turntrans-76.1-20.3177.4-66.3-175.6-179-172.90.7112L226L226-R228 PolarHBondContact O-N 3.29Å
229N79.9Confident87.1Confident120 Ų12078.3 Ų78.364%0.64238%0.379SS*.THydrogen-bonded Turntrans-86.5-8.2177.2-62.3-30.8000112.6D227 L231D227-N229 VanDerWaalsContact C-N 3.28Å; D227-N229 WeakPolarHBondContact OD1-CB 3.37Å; D227-N229 PolarHBondContact OD1-N 2.77Å; N229-L231 PolarHBondContact O-N 2.85Å
230L84.6Confident86.9Confident12 Ų1278.1 Ų78.16%0.06338%0.38CS..  trans-69102.1171.6179.662.6000109.5P200 L224 L225 D227 L232 R234 I237P200-L230 HydrophobicContact CB-CD1 4.03Å; P200-L230 HydrophobicContact CG-CD1 3.63Å; L224-L230 WeakPolarHBondContact O-CD2 3.43Å; L225-L230 HydrophobicContact CD2-CD2 4.14Å; D227-L230 HydrophobicContact CB-CB 4.2Å; L230-L232 VanDerWaalsContact C-N 3.33Å; L230-L232 HydrophobicContact CD1-CB 4.13Å; L230-L232 HydrophobicContact CD1-CG 4.44Å; L230-R234 HydrophobicContact CD2-CG 4.27Å; L230-I237 HydrophobicContact CD1-CD1 4.04Å; L230-I237 HydrophobicContact CD2-CD1 3.63Å; L230-I237 HydrophobicContact CG-CD1 4.19Å
231L86Confident86.8Confident110 Ų11078 Ų7858%0.57638%0.379SS*.  trans-82.8-10-177.7-59.1-162.6000113.8I174 N229I174-L231 HydrophobicContact CD1-CB 3.52Å; I174-L231 HydrophobicContact CD1-CD1 4.36Å; N229-L231 PolarHBondContact O-N 2.85Å
232L86.7Confident87Confident29 Ų2975 Ų7515%0.15236%0.363CS..SBendtrans-75.6148.8178.2-65.2-175.8000111.9K173 I174 E201 L230 R234 I237K173-L232 HydrophobicContact CB-CD2 3.6Å; K173-L232 HydrophobicContact CG-CD1 4.38Å; K173-L232 HydrophobicContact CG-CD2 4.25Å; I174-L232 HydrophobicContact CD1-CD2 4.02Å; I174-L232 HydrophobicContact CG1-CD2 3.69Å; E201-L232 HydrophobicContact CB-CD1 4.07Å; E201-L232 HydrophobicContact CG-CD1 3.68Å; E201-L232 HydrophobicContact CG-CG 4.37Å; L230-L232 VanDerWaalsContact C-N 3.33Å; L230-L232 HydrophobicContact CD1-CB 4.13Å; L230-L232 HydrophobicContact CD1-CG 4.44Å; L232-R234 PolarHBondContact O-N 3.28Å; L232-R234 VanDerWaalsContact O-N 3.14Å; L232-I237 HydrophobicContact CB-CD1 4.01Å; L232-I237 HydrophobicContact CB-CG1 4.23Å; L232-I237 HydrophobicContact CD1-CG1 4.37Å
233D86.1Confident87.5Confident83 Ų8370.5 Ų70.544%0.44434%0.342SS..  trans-63.9113.6167.8179.9-3.1000109.5N235 K236D233-N235 PolarHBondContact O-N 3.33Å; D233-N235 VanDerWaalsContact O-N 3.14Å; D233-N235 PolarHBondContact OD1-N 2.84Å; D233-K236 HydrophobicContact CB-CB 4.46Å; D233-K236 HydrophobicContact CB-CD 4.13Å; D233-K236 HydrophobicContact CB-CG 4.11Å; D233-K236 WeakPolarHBondContact O-CB 3.44Å; D233-K236 PolarHBondContact O-N 2.82Å; D233-K236 WeakPolarHBondContact OD2-CE 3.03Å
234R85.5Confident87.8Confident115 Ų11565.3 Ų65.343%0.43431%0.314SS..G310 helixtrans-57.4-30.3-175.3-60.3173.6-176.9-160.3-9.7112.7L225 D227 L230 L232 K236 I237L225-R234 WeakPolarHBondContact O-CD 3.4Å; L225-R234 PolarHBondContact O-NE 2.73Å; L225-R234 PolarHBondContact O-NH1 3.01Å; L225-R234 PolarHBondContact O-NH2 2.91Å; D227-R234 PolarHBondContact O-NH2 3.42Å; D227-R234 VanDerWaalsContact O-NH2 3.15Å; L230-R234 HydrophobicContact CD2-CG 4.27Å; L232-R234 PolarHBondContact O-N 3.28Å; L232-R234 VanDerWaalsContact O-N 3.14Å; R234-K236 PolarHBondContact O-N 2.84Å; R234-I237 PolarHBondContact O-N 3.18Å
235N83.4Confident88.3Confident137 Ų13764.1 Ų64.173%0.73331%0.308SS*.G310 helixtrans-73.8-16.8-179.8-65.1-40.8000113.2D233D233-N235 PolarHBondContact O-N 3.33Å; D233-N235 VanDerWaalsContact O-N 3.14Å; D233-N235 PolarHBondContact OD1-N 2.84Å
236K83.2Confident88.8Confident94 Ų9462.7 Ų62.741%0.40930%0.301SS..G310 helixtrans-95.5-10179.3-60.6-172.2178.7-169.80113.2D233 R234 C265D233-K236 HydrophobicContact CB-CB 4.46Å; D233-K236 HydrophobicContact CB-CD 4.13Å; D233-K236 HydrophobicContact CB-CG 4.11Å; D233-K236 WeakPolarHBondContact O-CB 3.44Å; D233-K236 PolarHBondContact O-N 2.82Å; D233-K236 WeakPolarHBondContact OD2-CE 3.03Å; R234-K236 PolarHBondContact O-N 2.84Å; K236-C265 HydrophobicContact CD-CB 4.29Å
237I86.7Confident89.3Confident14 Ų1457 Ų577%0.07227%0.272CS..SBendtrans-78.1126.9179.7-62.8170.1000109P200 L220 L225 L230 L232 R234 I239P200-I237 HydrophobicContact CB-CD1 4.21Å; P200-I237 HydrophobicContact CB-CG2 4.21Å; P200-I237 WeakPolarHBondContact O-CG2 3.48Å; L220-I237 HydrophobicContact CD2-CG2 4.02Å; L225-I237 HydrophobicContact CD2-CB 4.36Å; L225-I237 HydrophobicContact CD2-CD1 3.83Å; L225-I237 HydrophobicContact CD2-CG2 4.12Å; L230-I237 HydrophobicContact CD1-CD1 4.04Å; L230-I237 HydrophobicContact CD2-CD1 3.63Å; L230-I237 HydrophobicContact CG-CD1 4.19Å; L232-I237 HydrophobicContact CB-CD1 4.01Å; L232-I237 HydrophobicContact CB-CG1 4.23Å; L232-I237 HydrophobicContact CD1-CG1 4.37Å; R234-I237 PolarHBondContact O-N 3.18Å; I237-I239 PolarHBondContact O-N 3.19Å
238S84.6Confident89.9Confident23 Ų2355.5 Ų55.516%0.16126%0.264CS..  trans-69.9125.7169.3-167.50000109.9Q240 R241S238-Q240 VanDerWaalsContact C-N 3.31Å; S238-Q240 WeakPolarHBondContact CB-O 3.43Å; S238-Q240 PolarHBondContact OG-O 3.49Å; S238-R241 PolarHBondContact O-NH1 3.41Å
239I89.1Confident90.6Very high79 Ų7944.6 Ų44.641%0.40522%0.223SC..SBendtrans-74.3-27.7176.5-63.6170.8000110.6K219 L220 I237K219-I239 WeakPolarHBondContact CA-O 3.43Å; K219-I239 HydrophobicContact CG-CG2 4.01Å; L220-I239 PolarHBondContact N-O 3.15Å; I237-I239 PolarHBondContact O-N 3.19Å
240Q92.5Very high91.5Very high105 Ų10538.9 Ų38.949%0.49119%0.193SC..EExtended strand (participates in β ladder)trans-112.1132.1175.5-65.9-170-5.800110.4W217 I218 S238W217-Q240 HydrophobicContact CE3-CB 4.03Å; I218-Q240 WeakPolarHBondContact O-CA 3.39Å; S238-Q240 VanDerWaalsContact C-N 3.31Å; S238-Q240 WeakPolarHBondContact CB-O 3.43Å; S238-Q240 PolarHBondContact OG-O 3.49Å
241R93.9Very high92.1Very high0 Ų039.7 Ų39.70%020%0.196CC..EExtended strand (participates in β ladder)trans-114.7135.2176.7-73159.6163.163.721.5109A196 V199 P200 I202 W217 I218 S238A196-R241 HydrophobicContact CB-CB 4.43Å; A196-R241 WeakPolarHBondContact O-CD 3.44Å; V199-R241 PolarHBondContact O-NE 3.27Å; V199-R241 PolarHBondContact O-NH2 3.28Å; P200-R241 PolarHBondContact O-NH2 2.79Å; I202-R241 PolarHBondContact O-NE 2.63Å; I202-R241 PolarHBondContact O-NH2 2.77Å; W217-R241 WeakPolarHBondContact CA-O 3.45Å; I218-R241 PolarHBondContact N-O 3.3Å; I218-R241 PolarHBondContact O-N 2.78Å; S238-R241 PolarHBondContact O-NH1 3.41Å
242L97.9Very high92.7Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-80.9128.6169.7179.664.3000108.7L204 I205 Y215 W217 L256 I270 I272L204-L242 HydrophobicContact CD1-CB 3.75Å; L204-L242 HydrophobicContact CD1-CD2 3.81Å; L204-L242 HydrophobicContact CD1-CG 3.94Å; I205-L242 PolarHBondContact N-O 3.01Å; Y215-L242 HydrophobicContact CD2-CD1 3.83Å; Y215-L242 HydrophobicContact CG-CD1 4.25Å; W217-L242 HydrophobicContact CD2-CB 4.34Å; W217-L242 HydrophobicContact CD2-CD1 4.23Å; W217-L242 HydrophobicContact CE3-CB 4.07Å; W217-L242 HydrophobicContact CH2-CB 4Å; W217-L242 HydrophobicContact CZ2-CB 4.24Å; W217-L242 HydrophobicContact CZ2-CD1 4.26Å; W217-L242 HydrophobicContact CZ2-CD2 4.48Å; W217-L242 HydrophobicContact CZ3-CB 3.9Å; L242-L256 HydrophobicContact CD2-CD2 4.25Å; L242-I270 HydrophobicContact CB-CD1 4.22Å; L242-I270 HydrophobicContact CD2-CB 4.34Å; L242-I270 HydrophobicContact CD2-CD1 4.01Å; L242-I270 HydrophobicContact CD2-CG2 3.93Å; L242-I272 HydrophobicContact CD1-CD1 3.63Å; L242-I272 HydrophobicContact CD2-CD1 3.53Å; L242-I272 HydrophobicContact CD2-CG1 4.04Å; L242-I272 HydrophobicContact CG-CD1 4.24Å
243V98.5Very high93.3Very high0 Ų033.7 Ų33.70%017%0.165CC..EExtended strand (participates in β ladder)trans-111.4128.6162.5-1770000107.2W189 D192 A196 I205 Y215 E216 I218W189-V243 HydrophobicContact CE3-CG1 4.26Å; W189-V243 HydrophobicContact CH2-CB 4.48Å; W189-V243 HydrophobicContact CH2-CG1 4.02Å; W189-V243 HydrophobicContact CZ3-CB 3.97Å; W189-V243 HydrophobicContact CZ3-CG1 3.54Å; D192-V243 HydrophobicContact CB-CG1 3.79Å; A196-V243 HydrophobicContact CB-CG2 3.8Å; I205-V243 HydrophobicContact CB-CB 4.48Å; I205-V243 HydrophobicContact CB-CG1 4.4Å; I205-V243 HydrophobicContact CB-CG2 4.08Å; I205-V243 HydrophobicContact CD1-CG2 4.04Å; I205-V243 HydrophobicContact CG2-CG1 4.1Å; I205-V243 HydrophobicContact CG2-CG2 4.48Å; I205-V243 WeakPolarHBondContact O-CA 3.42Å; Y215-V243 CarbonylContact C-O 3.58Å; Y215-V243 WeakPolarHBondContact CA-O 3.47Å; Y215-V243 WeakPolarHBondContact CB-O 3.34Å; E216-V243 PolarHBondContact N-O 2.88Å; E216-V243 PolarHBondContact O-N 2.74Å; I218-V243 HydrophobicContact CD1-CB 4.26Å; I218-V243 HydrophobicContact CD1-CG2 3.51Å; I218-V243 HydrophobicContact CG1-CG2 4.18Å
244I98.7Very high93.9Very high0 Ų029.7 Ų29.70%014%0.144CC..EExtended strand (participates in β ladder)trans-137139.2179.1-175.4159.2000111.9I205 L206 G207 S254 L256 I272I205-I244 PolarHBondContact O-N 3.34Å; L206-I244 HydrophobicContact CD2-CG2 3.29Å; G207-I244 PolarHBondContact N-O 3.26Å; I244-S254 WeakPolarHBondContact CD1-OG 3.36Å; I244-L256 HydrophobicContact CD1-CD2 4.06Å; I244-L256 HydrophobicContact CG2-CD1 4.34Å; I244-I272 HydrophobicContact CD1-CG2 3.8Å
245K98.4Very high94.5Very high0 Ų024.7 Ų24.70%013%0.125CC..EExtended strand (participates in β ladder)trans-123.6134.9169.2-54.3-168.2-178.4-139.20108.4M187 W189 D192 G207 G208 D210 Y213 Q214M187-K245 PolarHBondContact O-NZ 3.39Å; W189-K245 HydrophobicContact CD2-CD 4.38Å; W189-K245 HydrophobicContact CH2-CG 4.3Å; W189-K245 HydrophobicContact CZ2-CB 4.19Å; W189-K245 HydrophobicContact CZ2-CD 3.9Å; W189-K245 HydrophobicContact CZ2-CG 3.74Å; D192-K245 WeakPolarHBondContact OD2-CE 3.33Å; D192-K245 IonicContact OD2-NZ 3.65Å; D192-K245 PolarHBondContact OD2-NZ 3.14Å; G207-K245 WeakPolarHBondContact O-CA 3.44Å; G208-K245 PolarHBondContact O-NZ 2.99Å; D210-K245 HydrophobicContact CB-CD 3.64Å; D210-K245 WeakPolarHBondContact OD2-CE 3.16Å; D210-K245 IonicContact OD2-NZ 2.67Å; D210-K245 PolarHBondContact OD2-NZ 3Å; Y213-K245 WeakPolarHBondContact CA-O 3.49Å; Q214-K245 PolarHBondContact N-O 3.08Å; Q214-K245 PolarHBondContact O-N 3.04Å
246S98.5Very high95.2Very high1 Ų118.2 Ų18.21%0.0079%0.091CC..EExtended strand (participates in β ladder)trans-106.220.2-159.9-680000113.1H10 N12 T252 S254H10-S246 PolarHBondContact ND1-OG 2.92Å; H10-S246 VanDerWaalsContact O-CB 3.3Å; H10-S246 WeakPolarHBondContact O-CB 3.4Å; H10-S246 PolarHBondContact O-OG 2.85Å; N12-S246 WeakPolarHBondContact OD1-CA 3.26Å; N12-S246 WeakPolarHBondContact OD1-CB 3.3Å; N12-S246 PolarHBondContact OD1-N 3Å; S246-T252 CarbonylContact O-C 3.47Å; S246-T252 PolarHBondContact O-OG1 3.44Å; S246-S254 WeakPolarHBondContact OG-CB 3.32Å; S246-S254 PolarHBondContact OG-OG 2.92Å
247G96.6Very high95.9Very high3 Ų316.7 Ų16.73%0.0318%0.082CC..  trans92.3-145176.900000112.2N12 H211N12-G247 PolarHBondContact ND2-O 3.31Å; H211-G247 CarbonylContact O-C 3.58Å; H211-G247 VanDerWaalsContact O-CA 3.28Å; H211-G247 WeakPolarHBondContact O-CA 3.44Å
248S96.6Very high96.4Very high5 Ų516.2 Ų16.24%0.0358%0.08CC..SBendtrans-159170.2-178.252.80000111.7D13 H211 Y250 Q251D13-S248 CarbonylContact O-C 3.53Å; D13-S248 WeakPolarHBondContact O-CA 3.43Å; D13-S248 WeakPolarHBondContact O-CB 3.46Å; H211-S248 PolarHBondContact O-OG 3.12Å; S248-Y250 PolarHBondContact O-N 3.38Å; S248-Y250 VanDerWaalsContact O-N 3.1Å; S248-Q251 WeakPolarHBondContact O-CB 3.26Å; S248-Q251 WeakPolarHBondContact O-CG 3.47Å; S248-Q251 PolarHBondContact O-N 3.03Å
249D96.1Very high96.8Very high6 Ų618.5 Ų18.53%0.0329%0.087CC..THydrogen-bonded Turntrans51.337.9169.2-92.9-19.6000114.3D13 Y15 N16 A26 Q251D13-D249 PolarHBondContact O-N 2.8Å; Y15-D249 WeakPolarHBondContact CA-OD1 3.39Å; Y15-D249 VanDerWaalsContact CB-OD1 3.26Å; Y15-D249 WeakPolarHBondContact CB-OD1 3.45Å; Y15-D249 WeakPolarHBondContact CD2-OD1 3.4Å; Y15-D249 PolarHBondContact N-OD1 3.28Å; N16-D249 PolarHBondContact N-OD1 2.9Å; N16-D249 PolarHBondContact ND2-OD1 3.33Å; N16-D249 PolarHBondContact ND2-OD2 3.16Å; A26-D249 WeakPolarHBondContact CB-O 3.45Å; D249-Q251 PolarHBondContact O-N 2.98Å
250Y98Very high96.9Very high1 Ų114.9 Ų14.90%0.0047%0.068CC..THydrogen-bonded Turntrans58.618.1-179.4-51.9-84.7000113.7V14 N16 V17 A26 A28 F31 M74 S248 V277V14-Y250 HydrophobicContact CB-CD1 3.91Å; V14-Y250 HydrophobicContact CB-CD2 3.96Å; V14-Y250 HydrophobicContact CB-CE1 3.54Å; V14-Y250 HydrophobicContact CB-CE2 3.6Å; V14-Y250 HydrophobicContact CB-CG 4.12Å; V14-Y250 HydrophobicContact CG1-CD1 3.86Å; V14-Y250 HydrophobicContact CG1-CD2 4.4Å; V14-Y250 HydrophobicContact CG1-CE1 3.93Å; V14-Y250 HydrophobicContact CG1-CE2 4.47Å; V14-Y250 HydrophobicContact CG1-CG 4.12Å; V14-Y250 HydrophobicContact CG2-CE1 3.76Å; V14-Y250 HydrophobicContact CG2-CE2 4.34Å; V14-Y250 WeakPolarHBondContact CG2-OH 3.18Å; V14-Y250 PolarHBondContact O-OH 3.27Å; N16-Y250 WeakPolarHBondContact O-CD2 3.4Å; N16-Y250 WeakPolarHBondContact O-CE2 3.44Å; V17-Y250 HydrophobicContact CG1-CE2 4.22Å; A26-Y250 WeakPolarHBondContact CB-O 3.28Å; A28-Y250 HydrophobicContact CB-CD1 4.36Å; A28-Y250 HydrophobicContact CB-CE1 4.03Å; A28-Y250 HydrophobicContact CB-CE2 4.33Å; F31-Y250 HydrophobicContact CB-CD1 4.01Å; F31-Y250 HydrophobicContact CB-CG 4.43Å; F31-Y250 AromaticContact CD1-CD1 3.87Å; F31-Y250 HydrophobicContact CD1-CD1 3.87Å; F31-Y250 HydrophobicContact CD2-CD1 4.05Å; F31-Y250 HydrophobicContact CD2-CG 4.37Å; F31-Y250 VanDerWaalsContact CD2-O 3.28Å; F31-Y250 WeakPolarHBondContact CD2-O 3.34Å; F31-Y250 HydrophobicContact CE1-CD1 4.28Å; F31-Y250 HydrophobicContact CE2-CD1 4.45Å; F31-Y250 AromaticContact CG-CD1 3.72Å; F31-Y250 HydrophobicContact CG-CD1 3.72Å; F31-Y250 HydrophobicContact CG-CG 4.35Å; M74-Y250 HydrophobicContact CE-CD1 4.13Å; M74-Y250 HydrophobicContact CE-CE1 3.48Å; M74-Y250 VanDerWaalsContact CE-CE1 3.48Å; M74-Y250 HydrophobicContact SD-CE1 4.17Å; S248-Y250 PolarHBondContact O-N 3.38Å; S248-Y250 VanDerWaalsContact O-N 3.1Å; Y250-V277 WeakPolarHBondContact O-CB 3.47Å
251Q97.5Very high96.7Very high29 Ų2910.9 Ų10.914%0.1365%0.05CC..SBendtrans-74-35.8179.8-65.5-177.47000111.2P24 A26 S248 D249 V277P24-Q251 HydrophobicContact CG-CB 3.85Å; P24-Q251 HydrophobicContact CG-CG 3.98Å; A26-Q251 HydrophobicContact CB-CG 3.94Å; S248-Q251 WeakPolarHBondContact O-CB 3.26Å; S248-Q251 WeakPolarHBondContact O-CG 3.47Å; S248-Q251 PolarHBondContact O-N 3.03Å; D249-Q251 PolarHBondContact O-N 2.98Å; Q251-V277 PolarHBondContact O-N 2.91Å
252T98.3Very high96.1Very high12 Ų1214.4 Ų14.47%0.0747%0.066CC..EExtended strand (participates in β ladder)trans-146.5154.9-176.152.90000112.1S246 Q274 V275 L276S246-T252 CarbonylContact O-C 3.47Å; S246-T252 PolarHBondContact O-OG1 3.44Å; T252-Q274 HydrophobicContact CG2-CG 4.23Å; T252-V275 VanDerWaalsContact CA-O 3.24Å; T252-V275 WeakPolarHBondContact CA-O 3.37Å; T252-L276 HydrophobicContact CG2-CD1 3.75Å
253F98.8Very high95.3Very high0 Ų022.1 Ų22.10%010%0.102CC..EExtended strand (participates in β ladder)trans-139.2167.2160.165.8-92.8000109.4L9 H10 F11 F31 A34 L35 H38 V275 V277L9-F253 HydrophobicContact CB-CD2 4.49Å; L9-F253 HydrophobicContact CD2-CE2 4.07Å; H10-F253 WeakPolarHBondContact O-CA 3.48Å; H10-F253 VanDerWaalsContact O-CB 3.29Å; H10-F253 WeakPolarHBondContact O-CB 2.92Å; F11-F253 HydrophobicContact CB-CB 3.94Å; F31-F253 HydrophobicContact CD2-CD1 4.17Å; F31-F253 HydrophobicContact CE1-CD1 4.43Å; F31-F253 HydrophobicContact CE2-CB 3.96Å; F31-F253 AromaticContact CE2-CD1 3.67Å; F31-F253 HydrophobicContact CE2-CD1 3.67Å; F31-F253 HydrophobicContact CE2-CG 4.29Å; F31-F253 HydrophobicContact CZ-CB 3.7Å; F31-F253 AromaticContact CZ-CD1 3.82Å; F31-F253 HydrophobicContact CZ-CD1 3.82Å; F31-F253 HydrophobicContact CZ-CG 4.14Å; A34-F253 HydrophobicContact CB-CE1 3.66Å; A34-F253 HydrophobicContact CB-CZ 4.11Å; L35-F253 HydrophobicContact CD2-CD1 4.2Å; L35-F253 HydrophobicContact CD2-CD2 4.02Å; L35-F253 HydrophobicContact CD2-CE1 4.19Å; L35-F253 HydrophobicContact CD2-CE2 4.02Å; L35-F253 HydrophobicContact CD2-CG 4.11Å; L35-F253 HydrophobicContact CD2-CZ 4.09Å; L35-F253 HydrophobicContact CG-CE1 4.37Å; H38-F253 HydrophobicContact CB-CE2 4.32Å; H38-F253 HydrophobicContact CB-CZ 4.41Å; H38-F253 AromaticContact ND1-CZ 3.71Å; F253-V275 HydrophobicContact CD1-CB 4.11Å; F253-V275 HydrophobicContact CD1-CG1 4.33Å; F253-V275 HydrophobicContact CD2-CB 4.11Å; F253-V275 HydrophobicContact CD2-CG2 4.13Å; F253-V275 HydrophobicContact CE1-CB 3.75Å; F253-V275 HydrophobicContact CE1-CG1 3.57Å; F253-V275 HydrophobicContact CE1-CG2 4.42Å; F253-V275 HydrophobicContact CE2-CB 3.73Å; F253-V275 HydrophobicContact CE2-CG1 4.19Å; F253-V275 HydrophobicContact CE2-CG2 3.53Å; F253-V275 HydrophobicContact CG-CB 4.28Å; F253-V275 HydrophobicContact CZ-CB 3.55Å; F253-V275 HydrophobicContact CZ-CG1 3.5Å; F253-V275 VanDerWaalsContact CZ-CG1 3.5Å; F253-V275 HydrophobicContact CZ-CG2 3.72Å; F253-V275 PolarHBondContact N-O 3.22Å; F253-V275 PolarHBondContact O-N 3.31Å; F253-V277 HydrophobicContact CD1-CG2 4.27Å; F253-V277 HydrophobicContact CE1-CG2 4.29Å
254S98.9Very high94.6Very high0 Ų026.6 Ų26.60%013%0.126CC..EExtended strand (participates in β ladder)trans-104131.2177.5-60.10000110.8L9 H10 Y213 I244 S246 E273L9-S254 CarbonylContact C-O 3.54Å; L9-S254 VanDerWaalsContact CA-O 3.29Å; L9-S254 WeakPolarHBondContact CA-O 3.35Å; H10-S254 PolarHBondContact N-O 3.06Å; H10-S254 PolarHBondContact O-N 3.34Å; Y213-S254 WeakPolarHBondContact CE2-OG 3.25Å; Y213-S254 PolarHBondContact OH-OG 3.4Å; I244-S254 WeakPolarHBondContact CD1-OG 3.36Å; S246-S254 WeakPolarHBondContact OG-CB 3.32Å; S246-S254 PolarHBondContact OG-OG 2.92Å; S254-E273 WeakPolarHBondContact CA-O 3.25Å
255H98.7Very high93.7Very high10 Ų1028.6 Ų28.65%0.04614%0.139CC..EExtended strand (participates in β ladder)trans-100.8111164.1-177.5-166.4000109.3H7 L9 H38 R257 E273 V275H7-H255 AromaticContact CG-NE2 3.68Å; H7-H255 AromaticContact ND1-CE1 3.5Å; H7-H255 PolarHBondContact ND1-CE1 2.94Å; H7-H255 AromaticContact ND1-NE2 3Å; H7-H255 PolarHBondContact ND1-NE2 3.04Å; L9-H255 HydrophobicContact CD2-CB 3.83Å; L9-H255 WeakPolarHBondContact CD2-CD2 3.27Å; H38-H255 AromaticContact CD2-ND1 3.6Å; H255-R257 PolarHBondContact ND1-NH2 3.12Å; H255-E273 HydrophobicContact CB-CB 4.26Å; H255-E273 PolarHBondContact N-O 3.04Å; H255-E273 PolarHBondContact O-N 3.24Å; H255-V275 HydrophobicContact CB-CG2 4.3Å
256L98.6Very high93.2Very high0 Ų033 Ų330%016%0.158CC..EExtended strand (participates in β ladder)trans-100.4124.3177.2-51.1-179.2000109.6H7 I8 L204 L206 L242 I244 V258 I270 D271 I272H7-L256 WeakPolarHBondContact CA-O 3.34Å; I8-L256 HydrophobicContact CB-CB 4.25Å; I8-L256 PolarHBondContact N-O 3.14Å; I8-L256 PolarHBondContact O-N 3.26Å; L204-L256 HydrophobicContact CD1-CD1 4.24Å; L204-L256 HydrophobicContact CD2-CD1 3.9Å; L206-L256 HydrophobicContact CD2-CD1 3.61Å; L242-L256 HydrophobicContact CD2-CD2 4.25Å; I244-L256 HydrophobicContact CD1-CD2 4.06Å; I244-L256 HydrophobicContact CG2-CD1 4.34Å; L256-V258 HydrophobicContact CB-CG2 4.26Å; L256-I270 HydrophobicContact CB-CG2 3.99Å; L256-I270 HydrophobicContact CD2-CG2 4.19Å; L256-D271 WeakPolarHBondContact CA-O 3.49Å; L256-I272 HydrophobicContact CD2-CB 4.15Å; L256-I272 HydrophobicContact CD2-CG1 3.84Å; L256-I272 HydrophobicContact CD2-CG2 3.79Å
257R97.5Very high92.7Very high63 Ų6333.6 Ų33.624%0.23816%0.161CC..EExtended strand (participates in β ladder)trans-104.792172.9-53.6-179.4-178.387.29.8108I5 H255 K259 D271 E273I5-R257 HydrophobicContact CG2-CB 3.92Å; H255-R257 PolarHBondContact ND1-NH2 3.12Å; R257-K259 PolarHBondContact O-N 2.82Å; R257-D271 HydrophobicContact CB-CB 4.17Å; R257-D271 WeakPolarHBondContact CD-OD2 3.39Å; R257-D271 IonicContact CZ-OD2 3.91Å; R257-D271 PolarHBondContact N-O 3.24Å; R257-D271 IonicContact NE-OD2 2.71Å; R257-D271 IonicContact NH1-OD2 3.52Å; R257-D271 PolarHBondContact NH1-OD2 2.94Å; R257-D271 PolarHBondContact O-N 2.97Å; R257-D271 VanDerWaalsContact O-N 3.09Å; R257-E273 IonicContact CZ-OE2 2.76Å; R257-E273 IonicContact NH1-OE2 3.56Å; R257-E273 PolarHBondContact NH1-OE2 2.89Å; R257-E273 IonicContact NH2-OE2 3.45Å; R257-E273 PolarHBondContact NH2-OE2 3.2Å
258V95.8Very high92.4Very high3 Ų337.4 Ų37.42%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-84.1112-174.3-1800000108.9L6 I8 L180 L256 L267 I270L6-V258 HydrophobicContact CB-CB 4.13Å; L6-V258 PolarHBondContact N-O 3.07Å; L6-V258 PolarHBondContact O-N 3.3Å; I8-V258 HydrophobicContact CD1-CG2 3.96Å; I8-V258 HydrophobicContact CG1-CG2 4.42Å; L180-V258 HydrophobicContact CD1-CG1 4.23Å; L256-V258 HydrophobicContact CB-CG2 4.26Å; V258-L267 HydrophobicContact CG1-CD1 3.4Å; V258-I270 HydrophobicContact CG1-CG1 4.43Å; V258-I270 HydrophobicContact CG2-CD1 4.4Å; V258-I270 HydrophobicContact CG2-CG1 4.23Å; V258-I270 HydrophobicContact CG2-CG2 4.22Å
259K93.8Very high92.2Very high72 Ų7240.5 Ų40.531%0.31320%0.197SC..EExtended strand (participates in β ladder)trans-87.5116.2174.9-60.7-178.5-164.2138.70108.9R257 L268 D269R257-K259 PolarHBondContact O-N 2.82Å; K259-L268 HydrophobicContact CB-CB 4.31Å; K259-L268 WeakPolarHBondContact O-CB 3.09Å; K259-L268 PolarHBondContact O-N 3.26Å; K259-D269 HydrophobicContact CB-CB 4.37Å; K259-D269 HydrophobicContact CD-CB 4.21Å; K259-D269 PolarHBondContact N-O 2.77Å; K259-D269 IonicContact NZ-OD2 2.65Å; K259-D269 PolarHBondContact NZ-OD2 3.24Å; K259-D269 PolarHBondContact O-N 3.47Å
260Y91Very high92.2Very high2 Ų240.6 Ų40.61%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-119.9134.2-177.1-167.1-95.7000111.6D4 L132 H179 L180 C265 K266 L267D4-Y260 PolarHBondContact O-N 3.01Å; L132-Y260 HydrophobicContact CD1-CD1 4.41Å; L132-Y260 HydrophobicContact CD1-CG 4.49Å; L132-Y260 HydrophobicContact CD2-CD1 3.61Å; L132-Y260 HydrophobicContact CD2-CE1 3.99Å; L132-Y260 HydrophobicContact CD2-CG 4.44Å; H179-Y260 WeakPolarHBondContact CA-OH 2.99Å; H179-Y260 HydrophobicContact CB-CE1 3.82Å; H179-Y260 WeakPolarHBondContact CB-OH 3.24Å; H179-Y260 PolarHBondContact O-OH 2.8Å; L180-Y260 HydrophobicContact CD1-CD2 3.96Å; L180-Y260 HydrophobicContact CD1-CE2 4.38Å; L180-Y260 HydrophobicContact CD1-CG 4.42Å; L180-Y260 HydrophobicContact CD2-CD2 3.65Å; L180-Y260 HydrophobicContact CD2-CE2 3.58Å; L180-Y260 HydrophobicContact CG-CD2 3.76Å; L180-Y260 HydrophobicContact CG-CE2 3.69Å; Y260-C265 VanDerWaalsContact CZ-C 3.49Å; Y260-C265 WeakPolarHBondContact OH-CA 3.48Å; Y260-C265 PolarHBondContact OH-O 2.79Å; Y260-K266 WeakPolarHBondContact CD2-O 3.4Å; Y260-K266 VanDerWaalsContact CE2-C 3.5Å; Y260-L267 HydrophobicContact CD2-CB 4.42Å
261D88.5Confident92.1Very high22 Ų2244 Ų4412%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-92.5103.1171-176.1-20.6000109.3E263 N264 C265 K266 L268D261-E263 PolarHBondContact OD1-N 3.45Å; D261-N264 HydrophobicContact CB-CB 4.48Å; D261-N264 PolarHBondContact OD1-N 3.23Å; D261-N264 PolarHBondContact OD2-ND2 3.31Å; D261-C265 CarbonylContact O-C 3.53Å; D261-C265 VanDerWaalsContact O-CA 3.25Å; D261-C265 WeakPolarHBondContact O-CA 3.48Å; D261-C265 PolarHBondContact O-N 2.85Å; D261-K266 PolarHBondContact N-O 2.66Å; D261-K266 PolarHBondContact O-N 3.03Å; D261-L268 HydrophobicContact CB-CD1 3.99Å; D261-L268 HydrophobicContact CB-CD2 3.9Å; D261-L268 HydrophobicContact CB-CG 3.88Å
262K81.4Confident92.2Very high74 Ų7444.1 Ų44.132%0.32222%0.217SC..THydrogen-bonded Turntrans-68.1-36.1-179.1-167.5176.8-178.9179.70112.6D131 L132 C265D131-K262 IonicContact OD2-NZ 3.45Å; L132-K262 HydrophobicContact CD2-CG 4.36Å; K262-C265 PolarHBondContact O-N 3.32Å
263E81.7Confident92.2Very high162 Ų16246.8 Ų46.876%0.75723%0.228SC*.THydrogen-bonded Turntrans-65.8-43.9-179.4-66.5-177171.400110.8D261D261-E263 PolarHBondContact OD1-N 3.45Å
264N82.3Confident92.2Very high94 Ų9451.5 Ų51.550%0.50325%0.25SS..THydrogen-bonded Turntrans-92.2-4-179.7-64.6-64.7000113.6D261 K266D261-N264 HydrophobicContact CB-CB 4.48Å; D261-N264 PolarHBondContact OD1-N 3.23Å; D261-N264 PolarHBondContact OD2-ND2 3.31Å; N264-K266 HydrophobicContact CB-CB 4.44Å
265C81.3Confident92.2Very high42 Ų4251.8 Ų51.828%0.28425%0.252SS..THydrogen-bonded Turntrans52.351.3-174.5-57.60000112.1K236 Y260 D261 K262K236-C265 HydrophobicContact CD-CB 4.29Å; Y260-C265 VanDerWaalsContact CZ-C 3.49Å; Y260-C265 WeakPolarHBondContact OH-CA 3.48Å; Y260-C265 PolarHBondContact OH-O 2.79Å; D261-C265 CarbonylContact O-C 3.53Å; D261-C265 VanDerWaalsContact O-CA 3.25Å; D261-C265 WeakPolarHBondContact O-CA 3.48Å; D261-C265 PolarHBondContact O-N 2.85Å; K262-C265 PolarHBondContact O-N 3.32Å
266K86.4Confident92.1Very high92 Ų9255 Ų5540%0.427%0.269SS..EExtended strand (participates in β ladder)trans-134.8133.1-171-172174.9178.3177.10112.3Y260 D261 N264 L268Y260-K266 WeakPolarHBondContact CD2-O 3.4Å; Y260-K266 VanDerWaalsContact CE2-C 3.5Å; D261-K266 PolarHBondContact N-O 2.66Å; D261-K266 PolarHBondContact O-N 3.03Å; N264-K266 HydrophobicContact CB-CB 4.44Å; K266-L268 PolarHBondContact O-N 2.82Å
267L89.5Confident92.1Very high14 Ų1455 Ų557%0.07327%0.269CS..EExtended strand (participates in β ladder)trans-68.6121.1166177.163.6000109.3L180 D203 V258 Y260 I270L180-L267 HydrophobicContact CD2-CB 4.44Å; D203-L267 HydrophobicContact CB-CD2 4.35Å; V258-L267 HydrophobicContact CG1-CD1 3.4Å; Y260-L267 HydrophobicContact CD2-CB 4.42Å; L267-I270 HydrophobicContact CD1-CD1 4.31Å; L267-I270 HydrophobicContact CD1-CG1 3.94Å; L267-I270 HydrophobicContact CD2-CD1 4Å; L267-I270 HydrophobicContact CD2-CG1 4.31Å
268L89.6Confident92.1Very high83 Ų8354.4 Ų54.444%0.43527%0.27SS..EExtended strand (participates in β ladder)trans-91-48.4-178.6-62.9-179.3000111.9T3 K259 D261 K266T3-L268 HydrophobicContact CG2-CD1 4.16Å; K259-L268 HydrophobicContact CB-CB 4.31Å; K259-L268 WeakPolarHBondContact O-CB 3.09Å; K259-L268 PolarHBondContact O-N 3.26Å; D261-L268 HydrophobicContact CB-CD1 3.99Å; D261-L268 HydrophobicContact CB-CD2 3.9Å; D261-L268 HydrophobicContact CB-CG 3.88Å; K266-L268 PolarHBondContact O-N 2.82Å
269D91.9Very high92.2Very high69 Ų6957.1 Ų57.137%0.36929%0.29SS..EExtended strand (participates in β ladder)trans-165.5157.1-170.5-177.635.4000110.4K259K259-D269 HydrophobicContact CB-CB 4.37Å; K259-D269 HydrophobicContact CD-CB 4.21Å; K259-D269 PolarHBondContact N-O 2.77Å; K259-D269 IonicContact NZ-OD2 2.65Å; K259-D269 PolarHBondContact NZ-OD2 3.24Å; K259-D269 PolarHBondContact O-N 3.47Å
270I95.9Very high92.4Very high8 Ų860.5 Ų60.54%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-132.7111.6172.5-54.9179.1000108L204 W217 L242 L256 V258 L267 I272L204-I270 HydrophobicContact CD1-CD1 4.1Å; W217-I270 HydrophobicContact CH2-CB 4Å; W217-I270 HydrophobicContact CH2-CD1 4.14Å; W217-I270 HydrophobicContact CH2-CG1 4.09Å; W217-I270 HydrophobicContact CZ2-CB 4.19Å; L242-I270 HydrophobicContact CB-CD1 4.22Å; L242-I270 HydrophobicContact CD2-CB 4.34Å; L242-I270 HydrophobicContact CD2-CD1 4.01Å; L242-I270 HydrophobicContact CD2-CG2 3.93Å; L256-I270 HydrophobicContact CB-CG2 3.99Å; L256-I270 HydrophobicContact CD2-CG2 4.19Å; V258-I270 HydrophobicContact CG1-CG1 4.43Å; V258-I270 HydrophobicContact CG2-CD1 4.4Å; V258-I270 HydrophobicContact CG2-CG1 4.23Å; V258-I270 HydrophobicContact CG2-CG2 4.22Å; L267-I270 HydrophobicContact CD1-CD1 4.31Å; L267-I270 HydrophobicContact CD1-CG1 3.94Å; L267-I270 HydrophobicContact CD2-CD1 4Å; L267-I270 HydrophobicContact CD2-CG1 4.31Å; I270-I272 HydrophobicContact CG2-CG1 4.09Å
271D97.3Very high92.7Very high72 Ų7261.9 Ų61.939%0.38531%0.312SS..EExtended strand (participates in β ladder)trans-82.4133.7167.3173.465.2000109.3L256 R257L256-D271 WeakPolarHBondContact CA-O 3.49Å; R257-D271 HydrophobicContact CB-CB 4.17Å; R257-D271 WeakPolarHBondContact CD-OD2 3.39Å; R257-D271 IonicContact CZ-OD2 3.91Å; R257-D271 PolarHBondContact N-O 3.24Å; R257-D271 IonicContact NE-OD2 2.71Å; R257-D271 IonicContact NH1-OD2 3.52Å; R257-D271 PolarHBondContact NH1-OD2 2.94Å; R257-D271 PolarHBondContact O-N 2.97Å; R257-D271 VanDerWaalsContact O-N 3.09Å
272I98.4Very high93.2Very high32 Ų3267.5 Ų67.516%0.16434%0.337CS..EExtended strand (participates in β ladder)trans-122.3121-170-51.7171.8000108.6Y215 L242 I244 L256 I270Y215-I272 HydrophobicContact CD1-CD1 4.35Å; Y215-I272 HydrophobicContact CD1-CG2 4.39Å; Y215-I272 HydrophobicContact CD2-CD1 3.7Å; Y215-I272 HydrophobicContact CE1-CD1 4.43Å; Y215-I272 HydrophobicContact CE1-CG2 4.43Å; Y215-I272 HydrophobicContact CE2-CD1 3.8Å; Y215-I272 HydrophobicContact CG-CD1 3.99Å; L242-I272 HydrophobicContact CD1-CD1 3.63Å; L242-I272 HydrophobicContact CD2-CD1 3.53Å; L242-I272 HydrophobicContact CD2-CG1 4.04Å; L242-I272 HydrophobicContact CG-CD1 4.24Å; I244-I272 HydrophobicContact CD1-CG2 3.8Å; L256-I272 HydrophobicContact CD2-CB 4.15Å; L256-I272 HydrophobicContact CD2-CG1 3.84Å; L256-I272 HydrophobicContact CD2-CG2 3.79Å; I270-I272 HydrophobicContact CG2-CG1 4.09Å
273E98.4Very high94Very high69 Ų6965.5 Ų65.532%0.32233%0.332SS..EExtended strand (participates in β ladder)trans-111.6127.6168.3175.2176.4-175.700110.2H38 S254 H255 R257 V275H38-E273 IonicContact NE2-OE1 3.98Å; S254-E273 WeakPolarHBondContact CA-O 3.25Å; H255-E273 HydrophobicContact CB-CB 4.26Å; H255-E273 PolarHBondContact N-O 3.04Å; H255-E273 PolarHBondContact O-N 3.24Å; R257-E273 IonicContact CZ-OE2 2.76Å; R257-E273 IonicContact NH1-OE2 3.56Å; R257-E273 PolarHBondContact NH1-OE2 2.89Å; R257-E273 IonicContact NH2-OE2 3.45Å; R257-E273 PolarHBondContact NH2-OE2 3.2Å; E273-V275 HydrophobicContact CG-CG2 4.09Å
274Q98.5Very high94.8Very high99 Ų9958.8 Ų58.846%0.46330%0.301SS..EExtended strand (participates in β ladder)trans-83.9113165.4179175.110.800108.3Y213 T252Y213-Q274 HydrophobicContact CD1-CB 4.44Å; Y213-Q274 VanDerWaalsContact CD1-CD 3.41Å; Y213-Q274 HydrophobicContact CD1-CG 4.02Å; Y213-Q274 HydrophobicContact CD2-CG 3.81Å; Y213-Q274 HydrophobicContact CE1-CB 3.72Å; Y213-Q274 HydrophobicContact CE1-CG 3.78Å; Y213-Q274 HydrophobicContact CE2-CB 3.92Å; Y213-Q274 HydrophobicContact CE2-CG 3.55Å; Y213-Q274 HydrophobicContact CG-CG 4.06Å; Y213-Q274 VanDerWaalsContact CG-NE2 3.27Å; Y213-Q274 VanDerWaalsContact CZ-CB 3.44Å; Y213-Q274 WeakPolarHBondContact OH-CA 3.48Å; Y213-Q274 WeakPolarHBondContact OH-CB 3.44Å; T252-Q274 HydrophobicContact CG2-CG 4.23Å
275V98.6Very high95.6Very high5 Ų560.1 Ų60.13%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-91.2112.7175.6-174.50000108.3A34 H38 T252 F253 H255 E273 W281A34-V275 HydrophobicContact CB-CG1 4.48Å; H38-V275 WeakPolarHBondContact NE2-CG2 3.3Å; T252-V275 VanDerWaalsContact CA-O 3.24Å; T252-V275 WeakPolarHBondContact CA-O 3.37Å; F253-V275 HydrophobicContact CD1-CB 4.11Å; F253-V275 HydrophobicContact CD1-CG1 4.33Å; F253-V275 HydrophobicContact CD2-CB 4.11Å; F253-V275 HydrophobicContact CD2-CG2 4.13Å; F253-V275 HydrophobicContact CE1-CB 3.75Å; F253-V275 HydrophobicContact CE1-CG1 3.57Å; F253-V275 HydrophobicContact CE1-CG2 4.42Å; F253-V275 HydrophobicContact CE2-CB 3.73Å; F253-V275 HydrophobicContact CE2-CG1 4.19Å; F253-V275 HydrophobicContact CE2-CG2 3.53Å; F253-V275 HydrophobicContact CG-CB 4.28Å; F253-V275 HydrophobicContact CZ-CB 3.55Å; F253-V275 HydrophobicContact CZ-CG1 3.5Å; F253-V275 VanDerWaalsContact CZ-CG1 3.5Å; F253-V275 HydrophobicContact CZ-CG2 3.72Å; F253-V275 PolarHBondContact N-O 3.22Å; F253-V275 PolarHBondContact O-N 3.31Å; H255-V275 HydrophobicContact CB-CG2 4.3Å; E273-V275 HydrophobicContact CG-CG2 4.09Å; V275-W281 HydrophobicContact CG1-CZ2 3.96Å
276L98.2Very high96.4Very high79 Ų7962.7 Ų62.741%0.41432%0.316SS..EExtended strand (participates in β ladder)trans-84.9129.8173.6-172.170.4000109.8P24 T252 D278 W281P24-L276 HydrophobicContact CB-CD1 3.7Å; P24-L276 HydrophobicContact CB-CG 4Å; P24-L276 HydrophobicContact CG-CD1 3.8Å; T252-L276 HydrophobicContact CG2-CD1 3.75Å; L276-D278 HydrophobicContact CD2-CB 4.44Å; L276-D278 PolarHBondContact O-N 3.08Å; L276-W281 PolarHBondContact O-NE1 2.77Å
277V98.4Very high97Very high0 Ų058.3 Ų58.30%030%0.297CS..  trans-97.476.9179.7-173.70000109.8P24 A26 R30 F31 A34 Y250 Q251 F253P24-V277 WeakPolarHBondContact CB-O 3.34Å; A26-V277 WeakPolarHBondContact CA-O 3.17Å; A26-V277 PolarHBondContact N-O 3.45Å; R30-V277 HydrophobicContact CB-CG1 3.67Å; F31-V277 HydrophobicContact CB-CG1 4.33Å; F31-V277 HydrophobicContact CD2-CB 4.5Å; F31-V277 HydrophobicContact CD2-CG2 3.68Å; F31-V277 HydrophobicContact CE2-CG2 4.33Å; F31-V277 HydrophobicContact CG-CG2 4.47Å; A34-V277 HydrophobicContact CB-CG2 4.34Å; Y250-V277 WeakPolarHBondContact O-CB 3.47Å; Q251-V277 PolarHBondContact O-N 2.91Å; F253-V277 HydrophobicContact CD1-CG2 4.27Å; F253-V277 HydrophobicContact CE1-CG2 4.29Å
278D98Very high97.4Very high49 Ų4960.2 Ų60.226%0.26231%0.306SS..  trans-93-173.4176.265.920000112.6E23 L276 H280 W281E23-D278 WeakPolarHBondContact OE2-CA 3.45Å; E23-D278 WeakPolarHBondContact OE2-CB 3.44Å; L276-D278 HydrophobicContact CD2-CB 4.44Å; L276-D278 PolarHBondContact O-N 3.08Å; D278-H280 PolarHBondContact O-N 3.36Å; D278-H280 VanDerWaalsContact O-N 3.17Å; D278-H280 WeakPolarHBondContact OD1-CB 3.03Å; D278-H280 PolarHBondContact OD1-N 3.39Å; D278-W281 PolarHBondContact O-N 2.91Å
279S97.5Very high97.8Very high61 Ų6162.2 Ų62.243%0.42731%0.311SS..THydrogen-bonded Turntrans-69.6-6.9-176.861.70000115.1E23 R30 W281E23-S279 WeakPolarHBondContact OE1-CB 3.38Å; E23-S279 PolarHBondContact OE1-N 2.6Å; E23-S279 VanDerWaalsContact OE1-N 3.09Å; E23-S279 PolarHBondContact OE1-OG 3.47Å; E23-S279 PolarHBondContact OE2-N 2.67Å; R30-S279 PolarHBondContact NH1-O 2.88Å; S279-W281 VanDerWaalsContact C-N 3.28Å; S279-W281 PolarHBondContact O-N 2.76Å
280H97.5Very high98.1Very high143 Ų14360.6 Ų60.666%0.66230%0.302SS*.THydrogen-bonded Turntrans-66.7-31.5175.5174.359.3000112.2D278 E282D278-H280 PolarHBondContact O-N 3.36Å; D278-H280 VanDerWaalsContact O-N 3.17Å; D278-H280 WeakPolarHBondContact OD1-CB 3.03Å; D278-H280 PolarHBondContact OD1-N 3.39Å; H280-E282 PolarHBondContact O-N 3.02Å
281W98.1Very high98.1Very high31 Ų3160.4 Ų60.412%0.11730%0.301CS..SBendtrans-76.9116.8-180-60.8101.3000111.2R30 T33 A34 Q37 H38 V275 L276 D278 S279R30-W281 HydrophobicContact CB-CB 4.09Å; R30-W281 VanDerWaalsContact CD-O 3.29Å; R30-W281 WeakPolarHBondContact CD-O 3.45Å; R30-W281 VanDerWaalsContact CG-O 3.26Å; R30-W281 WeakPolarHBondContact CG-O 3.5Å; R30-W281 PolarHBondContact NH1-O 3.44Å; T33-W281 HydrophobicContact CG2-CE3 4.46Å; A34-W281 HydrophobicContact CB-CD2 3.62Å; A34-W281 HydrophobicContact CB-CE3 3.76Å; A34-W281 HydrophobicContact CB-CG 4.09Å; A34-W281 HydrophobicContact CB-CH2 4.31Å; A34-W281 HydrophobicContact CB-CZ2 4.17Å; A34-W281 HydrophobicContact CB-CZ3 4.08Å; Q37-W281 HydrophobicContact CB-CH2 4.48Å; Q37-W281 HydrophobicContact CB-CZ3 3.82Å; Q37-W281 HydrophobicContact CG-CZ3 4.08Å; H38-W281 AromaticContact CE1-CH2 3.54Å; H38-W281 AromaticContact CE1-CZ2 3.93Å; V275-W281 HydrophobicContact CG1-CZ2 3.96Å; L276-W281 PolarHBondContact O-NE1 2.77Å; D278-W281 PolarHBondContact O-N 2.91Å; S279-W281 VanDerWaalsContact C-N 3.28Å; S279-W281 PolarHBondContact O-N 2.76Å
282E98.1Very high98Very high140 Ų14060.2 Ų60.265%0.65430%0.299SS*.PPolyproline II helixtrans-64.9139.6174-71-62.6148.900111.7T33 H280 D284T33-E282 WeakPolarHBondContact CB-O 3.42Å; T33-E282 WeakPolarHBondContact CG2-O 3.39Å; T33-E282 PolarHBondContact OG1-O 3.03Å; H280-E282 PolarHBondContact O-N 3.02Å; E282-D284 PolarHBondContact O-N 2.96Å
283P98.5Very high97.8Very high31 Ų3166.9 Ų66.920%0.20133%0.327CS..PPolyproline II helixtrans-62.8136178.4-21.632.5000112.7A29 R30 N285 Q288A29-P283 HydrophobicContact CB-CB 3.87Å; R30-P283 HydrophobicContact CG-CB 4.35Å; R30-P283 HydrophobicContact CG-CG 4.03Å; P283-N285 PolarHBondContact O-N 3.12Å; P283-Q288 HydrophobicContact CB-CB 4.49Å
284D98.7Very high97.4Very high21 Ų2165 Ų6511%0.11232%0.321CS..PPolyproline II helixtrans-64.5121.8169.9-179.4-88.5000110.6A29 T32 T33 K36 E282 E286 V287 Q288A29-D284 WeakPolarHBondContact O-CB 3.21Å; A29-D284 PolarHBondContact O-N 3.22Å; T32-D284 HydrophobicContact CG2-CB 4.2Å; T33-D284 PolarHBondContact OG1-N 2.71Å; T33-D284 VanDerWaalsContact OG1-N 3.08Å; K36-D284 IonicContact NZ-OD2 2.73Å; K36-D284 PolarHBondContact NZ-OD2 3.22Å; E282-D284 PolarHBondContact O-N 2.96Å; D284-E286 VanDerWaalsContact C-N 3.31Å; D284-E286 PolarHBondContact O-N 3.47Å; D284-E286 PolarHBondContact OD1-N 3.42Å; D284-V287 HydrophobicContact CB-CB 4.17Å; D284-V287 HydrophobicContact CB-CG2 4.31Å; D284-V287 PolarHBondContact O-N 3.37Å; D284-V287 PolarHBondContact OD1-N 2.97Å; D284-Q288 WeakPolarHBondContact O-CB 3.31Å; D284-Q288 PolarHBondContact O-N 3.22Å
285N98.5Very high97Very high123 Ų12360.4 Ų60.466%0.65830%0.3SS*.Hα-helixtrans-60.5-34.7-173.9-76-41.8000114.3P283 K289P283-N285 PolarHBondContact O-N 3.12Å; N285-K289 WeakPolarHBondContact O-CD 3.05Å; N285-K289 VanDerWaalsContact O-CG 3.25Å; N285-K289 WeakPolarHBondContact O-CG 3.25Å; N285-K289 PolarHBondContact O-N 3.48Å
286E98.2Very high96.4Very high95 Ų9567.4 Ų67.444%0.44433%0.33SS..Hα-helixtrans-78.8-42.7-177.7-69.3-61.3112.400110.7D284 K289 L290D284-E286 VanDerWaalsContact C-N 3.31Å; D284-E286 PolarHBondContact O-N 3.47Å; D284-E286 PolarHBondContact OD1-N 3.42Å; E286-K289 PolarHBondContact O-N 3.25Å; E286-K289 IonicContact OE1-NZ 3.96Å; E286-K289 PolarHBondContact OE1-NZ 2.91Å; E286-L290 WeakPolarHBondContact O-CG 3.26Å; E286-L290 PolarHBondContact O-N 3.32Å
287V98.6Very high95.4Very high0 Ų072.9 Ų72.90%035%0.351CS..Hα-helixtrans-65.6-41.2174.3178.20000110.9A28 A29 T32 I70 K73 D284 K289 L290 V291A28-V287 HydrophobicContact CB-CG1 4.04Å; A29-V287 HydrophobicContact CB-CB 4.27Å; A29-V287 HydrophobicContact CB-CG1 4.08Å; T32-V287 HydrophobicContact CG2-CG2 3.9Å; I70-V287 HydrophobicContact CG2-CG1 4.04Å; K73-V287 HydrophobicContact CB-CG2 3.51Å; K73-V287 HydrophobicContact CG-CG2 3.88Å; D284-V287 HydrophobicContact CB-CB 4.17Å; D284-V287 HydrophobicContact CB-CG2 4.31Å; D284-V287 PolarHBondContact O-N 3.37Å; D284-V287 PolarHBondContact OD1-N 2.97Å; V287-K289 VanDerWaalsContact C-N 3.26Å; V287-K289 PolarHBondContact O-N 3.49Å; V287-L290 WeakPolarHBondContact O-CA 3Å; V287-L290 WeakPolarHBondContact O-CB 3.41Å; V287-L290 PolarHBondContact O-N 2.89Å; V287-V291 HydrophobicContact CG1-CG2 4.21Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 2.75Å
288Q98.2Very high94.6Very high55 Ų5574.6 Ų74.626%0.25736%0.36SS..Hα-helixtrans-58.8-38.7176.9-172.863.49.500111.9A29 P283 D284 L290 V291 I292A29-Q288 HydrophobicContact CB-CB 4.04Å; A29-Q288 VanDerWaalsContact CB-OE1 3.24Å; P283-Q288 HydrophobicContact CB-CB 4.49Å; D284-Q288 WeakPolarHBondContact O-CB 3.31Å; D284-Q288 PolarHBondContact O-N 3.22Å; Q288-L290 VanDerWaalsContact C-N 3.33Å; Q288-L290 PolarHBondContact O-N 2.77Å; Q288-V291 PolarHBondContact O-N 2.98Å; Q288-I292 HydrophobicContact CG-CD1 3.94Å; Q288-I292 WeakPolarHBondContact O-CB 3.39Å; Q288-I292 VanDerWaalsContact O-CG1 3.24Å; Q288-I292 WeakPolarHBondContact O-CG1 3.37Å; Q288-I292 PolarHBondContact O-N 2.91Å
289K98.1Very high93.5Very high125 Ų12575.2 Ų75.254%0.54336%0.361SS..Hα-helixtrans-63.3-38.4173.4-72.9167.1-169.1169.20112.2N285 E286 V287 K293N285-K289 WeakPolarHBondContact O-CD 3.05Å; N285-K289 VanDerWaalsContact O-CG 3.25Å; N285-K289 WeakPolarHBondContact O-CG 3.25Å; N285-K289 PolarHBondContact O-N 3.48Å; E286-K289 PolarHBondContact O-N 3.25Å; E286-K289 IonicContact OE1-NZ 3.96Å; E286-K289 PolarHBondContact OE1-NZ 2.91Å; V287-K289 VanDerWaalsContact C-N 3.26Å; V287-K289 PolarHBondContact O-N 3.49Å; K289-K293 VanDerWaalsContact O-CB 3.24Å; K289-K293 WeakPolarHBondContact O-CB 3.35Å; K289-K293 PolarHBondContact O-N 2.86Å
290L97.6Very high92.5Very high35 Ų3581.6 Ų81.618%0.18338%0.381CS..Hα-helixtrans-69-42.1177.3-65.2172.8000111.9S69 I70 K73 E286 V287 Q288 K293 S294S69-L290 VanDerWaalsContact O-CD1 3.24Å; S69-L290 WeakPolarHBondContact O-CD1 3.32Å; I70-L290 HydrophobicContact CG1-CB 3.88Å; I70-L290 HydrophobicContact CG1-CD1 4.3Å; K73-L290 HydrophobicContact CG-CD1 4.23Å; E286-L290 WeakPolarHBondContact O-CG 3.26Å; E286-L290 PolarHBondContact O-N 3.32Å; V287-L290 WeakPolarHBondContact O-CA 3Å; V287-L290 WeakPolarHBondContact O-CB 3.41Å; V287-L290 PolarHBondContact O-N 2.89Å; Q288-L290 VanDerWaalsContact C-N 3.33Å; Q288-L290 PolarHBondContact O-N 2.77Å; L290-K293 PolarHBondContact O-N 3.18Å; L290-S294 PolarHBondContact O-N 3.3Å; L290-S294 VanDerWaalsContact O-N 3.11Å; L290-S294 PolarHBondContact O-OG 3.28Å
291V96.5Very high91.9Very high3 Ų382 Ų822%0.01838%0.381CS..Hα-helixtrans-58.9-57173.3174.30000109.2V17 E18 A28 I70 V287 Q288 K293 S294 T295V17-V291 HydrophobicContact CB-CG2 4.2Å; V17-V291 HydrophobicContact CG2-CG1 4.27Å; V17-V291 HydrophobicContact CG2-CG2 4.31Å; E18-V291 HydrophobicContact CB-CG1 4.45Å; A28-V291 HydrophobicContact CB-CG2 4.38Å; I70-V291 HydrophobicContact CD1-CG2 4.14Å; V287-V291 HydrophobicContact CG1-CG2 4.21Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 2.75Å; Q288-V291 PolarHBondContact O-N 2.98Å; V291-K293 VanDerWaalsContact C-N 3.28Å; V291-K293 PolarHBondContact O-N 2.7Å; V291-S294 WeakPolarHBondContact O-CA 3.16Å; V291-S294 WeakPolarHBondContact O-CB 3.47Å; V291-S294 PolarHBondContact O-N 3.01Å; V291-T295 HydrophobicContact CG1-CG2 4.09Å; V291-T295 WeakPolarHBondContact O-CG2 3.43Å; V291-T295 PolarHBondContact O-N 3.1Å; V291-T295 PolarHBondContact O-OG1 2.98Å
292I95Very high91.4Very high69 Ų6980.8 Ų80.835%0.35438%0.377SS..Hα-helixtrans-55.4-43.1178.5-68.7168000111.2Q288 S294 T295 K296Q288-I292 HydrophobicContact CG-CD1 3.94Å; Q288-I292 WeakPolarHBondContact O-CB 3.39Å; Q288-I292 VanDerWaalsContact O-CG1 3.24Å; Q288-I292 WeakPolarHBondContact O-CG1 3.37Å; Q288-I292 PolarHBondContact O-N 2.91Å; I292-S294 PolarHBondContact O-N 2.9Å; I292-T295 WeakPolarHBondContact CA-OG1 3.28Å; I292-T295 PolarHBondContact O-N 3.49Å; I292-K296 HydrophobicContact CG2-CB 4.42Å; I292-K296 WeakPolarHBondContact O-CA 3.27Å; I292-K296 WeakPolarHBondContact O-CB 3.49Å; I292-K296 PolarHBondContact O-N 3.28Å
293K94.1Very high90.9Very high171 Ų17177.6 Ų77.674%0.74336%0.364SS*.Hα-helixtrans-57.8-37.1177.9-178.9-176.2174.4-1700111.9K289 L290 V291K289-K293 VanDerWaalsContact O-CB 3.24Å; K289-K293 WeakPolarHBondContact O-CB 3.35Å; K289-K293 PolarHBondContact O-N 2.86Å; L290-K293 PolarHBondContact O-N 3.18Å; V291-K293 VanDerWaalsContact C-N 3.28Å; V291-K293 PolarHBondContact O-N 2.7Å
294S91.1Very high90.6Very high29 Ų2979.4 Ų79.420%0.20338%0.375CS..Hα-helixtrans-80.5-34.1-178.6-52.90000112.3L290 V291 I292L290-S294 PolarHBondContact O-N 3.3Å; L290-S294 VanDerWaalsContact O-N 3.11Å; L290-S294 PolarHBondContact O-OG 3.28Å; V291-S294 WeakPolarHBondContact O-CA 3.16Å; V291-S294 WeakPolarHBondContact O-CB 3.47Å; V291-S294 PolarHBondContact O-N 3.01Å; I292-S294 PolarHBondContact O-N 2.9Å
295T89.3Confident90.3Very high3 Ų382.2 Ų82.22%0.01839%0.394CS..Hα-helixtrans-98.3-22.2-171.860.40000114.5I58 V291 I292 K297 L298 E299I58-T295 HydrophobicContact CD1-CG2 3.59Å; V291-T295 HydrophobicContact CG1-CG2 4.09Å; V291-T295 WeakPolarHBondContact O-CG2 3.43Å; V291-T295 PolarHBondContact O-N 3.1Å; V291-T295 PolarHBondContact O-OG1 2.98Å; I292-T295 WeakPolarHBondContact CA-OG1 3.28Å; I292-T295 PolarHBondContact O-N 3.49Å; T295-K297 PolarHBondContact O-N 3.38Å; T295-L298 WeakPolarHBondContact O-CA 3.24Å; T295-L298 PolarHBondContact O-N 3.41Å; T295-E299 WeakPolarHBondContact CB-OE1 3.37Å; T295-E299 PolarHBondContact O-N 3.14Å; T295-E299 PolarHBondContact OG1-OE1 2.71Å
296K85.8Confident90.1Very high153 Ų15377.4 Ų77.467%0.66537%0.368SS*.THydrogen-bonded Turntrans-51.5-34-168.9179175.8-172.1177.80115.4I292 L298I292-K296 HydrophobicContact CG2-CB 4.42Å; I292-K296 WeakPolarHBondContact O-CA 3.27Å; I292-K296 WeakPolarHBondContact O-CB 3.49Å; I292-K296 PolarHBondContact O-N 3.28Å; K296-L298 VanDerWaalsContact C-N 3.33Å
297K78.6Confident89.8Confident193 Ų19373 Ų7384%0.83935%0.349SS*.THydrogen-bonded Turntrans-76.7-21.4178.6-70.9-179.3-178.2176.60113T295T295-K297 PolarHBondContact O-N 3.38Å
298L80.1Confident89.6Confident36 Ų3676.9 Ų76.919%0.18837%0.369CS..THydrogen-bonded Turntrans-102.4-37.4-173.3-58.9177.2000112.3Y57 I58 T295 K296 K300 K301 L302Y57-L298 HydrophobicContact CD1-CD1 4.2Å; Y57-L298 HydrophobicContact CE1-CD1 4.19Å; Y57-L298 HydrophobicContact CE1-CD2 4.16Å; I58-L298 HydrophobicContact CG1-CD1 4.06Å; T295-L298 WeakPolarHBondContact O-CA 3.24Å; T295-L298 PolarHBondContact O-N 3.41Å; K296-L298 VanDerWaalsContact C-N 3.33Å; L298-K300 PolarHBondContact O-N 2.67Å; L298-K301 PolarHBondContact O-N 3.41Å; L298-L302 HydrophobicContact CB-CD1 3.97Å; L298-L302 HydrophobicContact CB-CG 4.36Å; L298-L302 WeakPolarHBondContact O-CG 2.98Å; L298-L302 PolarHBondContact O-N 2.91Å
299E76.2Confident89.4Confident62 Ų6274.4 Ų74.429%0.2936%0.357SS..Hα-helixtrans-47.8-54.9-171.7-78.9173.817600114.3T295 K301 L302 D303T295-E299 WeakPolarHBondContact CB-OE1 3.37Å; T295-E299 PolarHBondContact O-N 3.14Å; T295-E299 PolarHBondContact OG1-OE1 2.71Å; E299-K301 PolarHBondContact O-N 2.93Å; E299-L302 PolarHBondContact O-N 3.45Å; E299-D303 PolarHBondContact O-N 3.18Å
300K75.8Confident89.3Confident195 Ų19572.5 Ų72.585%0.84835%0.351SS*.Hα-helixtrans-58.9-27.3-177.4-72.8-169.2178.4-173.30113.6L298L298-K300 PolarHBondContact O-N 2.67Å
301K85Confident89.2Confident151 Ų15172.9 Ų72.966%0.65735%0.354SS*.Hα-helixtrans-85.4-37.5177.5-68.8-173.6176.1-175.70111.5L298 E299 D303 T304L298-K301 PolarHBondContact O-N 3.41Å; E299-K301 PolarHBondContact O-N 2.93Å; K301-D303 VanDerWaalsContact C-N 3.28Å; K301-D303 PolarHBondContact O-N 3.08Å; K301-T304 VanDerWaalsContact O-CB 3.27Å; K301-T304 WeakPolarHBondContact O-CB 3.18Å; K301-T304 PolarHBondContact O-N 3.25Å; K301-T304 PolarHBondContact O-OG1 2.78Å
302L87.2Confident89.2Confident6 Ų675.6 Ų75.63%0.03137%0.369CS..Hα-helixtrans-63.2-33-178.5-69176.1000112.1Y57 L298 E299 T304 L364 R365 T368Y57-L302 HydrophobicContact CD1-CD1 4.45Å; Y57-L302 HydrophobicContact CD1-CD2 3.94Å; Y57-L302 HydrophobicContact CE1-CD2 3.98Å; L298-L302 HydrophobicContact CB-CD1 3.97Å; L298-L302 HydrophobicContact CB-CG 4.36Å; L298-L302 WeakPolarHBondContact O-CG 2.98Å; L298-L302 PolarHBondContact O-N 2.91Å; E299-L302 PolarHBondContact O-N 3.45Å; L302-T304 PolarHBondContact O-N 3.49Å; L302-T304 VanDerWaalsContact O-N 3.17Å; L302-L364 HydrophobicContact CD2-CD2 4.48Å; L302-L364 HydrophobicContact CD2-CG 4.33Å; L302-L364 CarbonylContact O-C 3.4Å; L302-L364 WeakPolarHBondContact O-CB 3.27Å; L302-L364 PolarHBondContact O-N 2.58Å; L302-R365 HydrophobicContact CB-CB 4Å; L302-R365 HydrophobicContact CB-CG 4.46Å; L302-R365 WeakPolarHBondContact O-CB 3.48Å; L302-R365 PolarHBondContact O-N 2.93Å; L302-T368 HydrophobicContact CD2-CG2 4.15Å
303D88.3Confident89.3Confident74 Ų7472.3 Ų72.340%0.39635%0.352SS..THydrogen-bonded Turntrans-81.711.4178.6-61.1-49.3000114.4E299 K301 P305 R365E299-D303 PolarHBondContact O-N 3.18Å; K301-D303 VanDerWaalsContact C-N 3.28Å; K301-D303 PolarHBondContact O-N 3.08Å; D303-P305 WeakPolarHBondContact O-CD 3.17Å; D303-R365 IonicContact OD1-CZ 2.81Å; D303-R365 IonicContact OD1-NE 3.19Å; D303-R365 PolarHBondContact OD1-NE 3.45Å; D303-R365 IonicContact OD1-NH2 4Å; D303-R365 PolarHBondContact OD1-NH2 2.87Å; D303-R365 IonicContact OD2-CZ 2.67Å; D303-R365 IonicContact OD2-NE 3.08Å; D303-R365 IonicContact OD2-NH2 2.73Å; D303-R365 PolarHBondContact OD2-NH2 3.29Å
304T91.5Very high89.4Confident68 Ų6865.4 Ų65.442%0.41732%0.323SS..  trans-65.1125.4175.2-56.20000110.5K301 L302 L306 T363 L364K301-T304 VanDerWaalsContact O-CB 3.27Å; K301-T304 WeakPolarHBondContact O-CB 3.18Å; K301-T304 PolarHBondContact O-N 3.25Å; K301-T304 PolarHBondContact O-OG1 2.78Å; L302-T304 PolarHBondContact O-N 3.49Å; L302-T304 VanDerWaalsContact O-N 3.17Å; T304-L306 PolarHBondContact O-N 2.84Å; T304-T363 CarbonylContact O-C 3.4Å; T304-T363 WeakPolarHBondContact O-CA 3.5Å; T304-T363 WeakPolarHBondContact O-CB 3.34Å; T304-L364 PolarHBondContact O-N 2.74Å
305P92.9Very high89.7Confident80 Ų8064.1 Ų64.152%0.51931%0.314SS..EExtended strand (participates in β ladder)trans-59128.7170.3-27.838.4000112.4D303 L361D303-P305 WeakPolarHBondContact O-CD 3.17Å; P305-L361 HydrophobicContact CB-CD1 3.93Å; P305-L361 HydrophobicContact CG-CD1 4.42Å
306L93.9Very high89.9Confident22 Ų2268.4 Ų68.412%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-97.5-38.9169.6-65.1-178.5000111.1T304 F362 L364 L367 Q481 F484 Q488T304-L306 PolarHBondContact O-N 2.84Å; L306-F362 HydrophobicContact CD1-CD1 4.35Å; L306-F362 HydrophobicContact CD1-CE1 4.42Å; L306-F362 PolarHBondContact N-O 3.17Å; L306-L364 HydrophobicContact CD1-CB 4.49Å; L306-L364 HydrophobicContact CD1-CD1 4.47Å; L306-L364 HydrophobicContact CD2-CB 4.49Å; L306-L364 HydrophobicContact CG-CB 4.43Å; L306-L367 HydrophobicContact CD1-CB 3.89Å; L306-L367 HydrophobicContact CD1-CD2 3.62Å; L306-L367 HydrophobicContact CD1-CG 4.41Å; L306-Q481 HydrophobicContact CD1-CG 4.43Å; L306-Q481 HydrophobicContact CD2-CG 4.5Å; L306-F484 HydrophobicContact CB-CB 4.03Å; L306-F484 HydrophobicContact CB-CD1 4.11Å; L306-F484 HydrophobicContact CB-CD2 4.34Å; L306-F484 HydrophobicContact CB-CG 3.91Å; L306-F484 HydrophobicContact CD1-CD2 4.42Å; L306-Q488 PolarHBondContact O-NE2 3.11Å; L306-Q488 VanDerWaalsContact O-NE2 3.08Å
307G93Very high90.3Very high4 Ų461.2 Ų61.24%0.04130%0.299CS..EExtended strand (participates in β ladder)trans169.1-161.4174.700000114.3F362G307-F362 PolarHBondContact N-O 3.45Å; G307-F362 PolarHBondContact O-N 2.75Å
308L92.8Very high90.8Very high81 Ų8155.1 Ų55.142%0.42428%0.275SS..EExtended strand (participates in β ladder)trans-107128.1176.7-63.4176.1000109.3G360 L361L308-G360 WeakPolarHBondContact CA-O 3.44Å; L308-L361 HydrophobicContact CD2-CB 4.48Å; L308-L361 HydrophobicContact CD2-CD1 4.4Å
309I94.9Very high91.5Very high2 Ų253.6 Ų53.61%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-100.9136.3166.159.5167.4000108.2F313 A359 G360 F362 F484 I561I309-F313 HydrophobicContact CB-CE1 4.47Å; I309-F313 HydrophobicContact CB-CE2 4.26Å; I309-F313 HydrophobicContact CB-CZ 4.01Å; I309-F313 HydrophobicContact CD1-CD2 3.75Å; I309-F313 HydrophobicContact CD1-CE2 3.85Å; I309-F313 HydrophobicContact CD1-CG 4.12Å; I309-F313 HydrophobicContact CD1-CZ 4.26Å; I309-F313 HydrophobicContact CG2-CE1 4.49Å; I309-F313 HydrophobicContact CG2-CE2 3.65Å; I309-F313 HydrophobicContact CG2-CZ 3.58Å; I309-A359 CarbonylContact O-C 3.56Å; I309-A359 WeakPolarHBondContact O-CA 3.46Å; I309-G360 PolarHBondContact N-O 2.9Å; I309-G360 PolarHBondContact O-N 2.77Å; I309-F362 HydrophobicContact CD1-CD2 3.89Å; I309-F362 HydrophobicContact CG1-CB 4.22Å; I309-F362 HydrophobicContact CG1-CD2 4.46Å; I309-F362 HydrophobicContact CG2-CB 3.92Å; I309-F362 HydrophobicContact CG2-CD2 4.42Å; I309-F362 HydrophobicContact CG2-CG 4.09Å; I309-F484 HydrophobicContact CG2-CE1 4.17Å; I309-F484 HydrophobicContact CG2-CZ 4Å; I309-I561 HydrophobicContact CG2-CG2 4.17Å
310E94.7Very high92.5Very high86 Ų8650.7 Ų50.740%0.40225%0.254SS..SBendtrans-105.2-2.1-165.1-62.7-87.2-17700112Q560 I561 A562E310-Q560 HydrophobicContact CB-CG 3.68Å; E310-Q560 HydrophobicContact CG-CG 3.49Å; E310-Q560 VanDerWaalsContact CG-CG 3.49Å; E310-I561 WeakPolarHBondContact CB-O 3.47Å; E310-I561 PolarHBondContact N-O 3.11Å; E310-A562 HydrophobicContact CB-CB 4.2Å
311V96.4Very high93.5Very high43 Ų4341.7 Ų41.726%0.26122%0.215SC..SBendtrans-136.5153174.5-62.50000108.6F313 A562 P563V311-F313 HydrophobicContact CG2-CD1 4.46Å; V311-F313 HydrophobicContact CG2-CE1 4.22Å; V311-A562 HydrophobicContact CG1-CB 3.93Å; V311-P563 HydrophobicContact CG2-CG 4.26Å
312D96.9Very high94Very high60 Ų6036.6 Ų36.632%0.32119%0.194SC..  trans-63135.6172.5-76.56.5000110.1N326 I356 F357 K358 A359D312-N326 PolarHBondContact O-ND2 3.5Å; D312-I356 HydrophobicContact CB-CG2 3.7Å; D312-F357 CarbonylContact C-O 3.4Å; D312-F357 WeakPolarHBondContact CA-O 3.19Å; D312-K358 WeakPolarHBondContact OD1-CA 3.48Å; D312-K358 VanDerWaalsContact OD2-CD 3.24Å; D312-K358 WeakPolarHBondContact OD2-CD 3.43Å; D312-K358 IonicContact OD2-NZ 3.28Å; D312-K358 PolarHBondContact OD2-NZ 3.34Å; D312-A359 PolarHBondContact OD1-N 2.94Å
313F97.3Very high94.5Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-93.1117.6166.8-66-18.4000109.3I309 V311 V315 I327 F330 I356 F357 F362 P563I309-F313 HydrophobicContact CB-CE1 4.47Å; I309-F313 HydrophobicContact CB-CE2 4.26Å; I309-F313 HydrophobicContact CB-CZ 4.01Å; I309-F313 HydrophobicContact CD1-CD2 3.75Å; I309-F313 HydrophobicContact CD1-CE2 3.85Å; I309-F313 HydrophobicContact CD1-CG 4.12Å; I309-F313 HydrophobicContact CD1-CZ 4.26Å; I309-F313 HydrophobicContact CG2-CE1 4.49Å; I309-F313 HydrophobicContact CG2-CE2 3.65Å; I309-F313 HydrophobicContact CG2-CZ 3.58Å; V311-F313 HydrophobicContact CG2-CD1 4.46Å; V311-F313 HydrophobicContact CG2-CE1 4.22Å; F313-V315 HydrophobicContact CB-CG2 4.01Å; F313-V315 PolarHBondContact O-N 2.82Å; F313-I327 HydrophobicContact CB-CB 4.17Å; F313-I327 HydrophobicContact CD1-CB 4.5Å; F313-I327 HydrophobicContact CD2-CD1 3.67Å; F313-I327 HydrophobicContact CD2-CG1 4.41Å; F313-I327 HydrophobicContact CE2-CD1 3.81Å; F313-I327 HydrophobicContact CG-CB 4.21Å; F313-I327 HydrophobicContact CG-CD1 4.07Å; F313-I327 HydrophobicContact CG-CG1 4.45Å; F313-I327 HydrophobicContact CZ-CD1 4.35Å; F313-F330 HydrophobicContact CE2-CD1 4.45Å; F313-F330 HydrophobicContact CZ-CD1 4.08Å; F313-F330 HydrophobicContact CZ-CE1 4.25Å; F313-I356 CarbonylContact O-C 3.59Å; F313-I356 WeakPolarHBondContact O-CA 3Å; F313-F357 HydrophobicContact CB-CB 4.25Å; F313-F357 PolarHBondContact N-O 3.26Å; F313-F357 PolarHBondContact O-N 3.24Å; F313-F362 HydrophobicContact CD2-CE2 4.3Å; F313-F362 HydrophobicContact CE2-CE2 4.42Å; F313-P563 HydrophobicContact CD1-CG 4.3Å; F313-P563 HydrophobicContact CE1-CG 3.4Å; F313-P563 HydrophobicContact CZ-CG 4.06Å
314D95.9Very high94.9Very high26 Ų2638.5 Ų38.514%0.13920%0.199CC..EExtended strand (participates in β ladder)trans-88.5102.6173.8-173.55.1000109.7R316 S319 V320D314-R316 IonicContact OD1-CZ 2.75Å; D314-R316 PolarHBondContact OD1-N 2.99Å; D314-R316 IonicContact OD1-NE 3.77Å; D314-R316 PolarHBondContact OD1-NE 3.02Å; D314-R316 IonicContact OD1-NH2 2.65Å; D314-R316 PolarHBondContact OD1-NH2 3.37Å; D314-R316 IonicContact OD2-CZ 3.86Å; D314-R316 IonicContact OD2-NE 3.37Å; D314-R316 IonicContact OD2-NH2 3.45Å; D314-R316 PolarHBondContact OD2-NH2 2.66Å; D314-S319 WeakPolarHBondContact OD2-CB 3.34Å; D314-S319 PolarHBondContact OD2-OG 3.25Å; D314-V320 WeakPolarHBondContact O-CG1 3.44Å
315V96.4Very high95.2Very high1 Ų135.7 Ų35.71%0.00618%0.182CC..  trans-113.720.6-175.6-151.70000111.5F313 I327 L351 R352 D354 R355 F357 I370F313-V315 HydrophobicContact CB-CG2 4.01Å; F313-V315 PolarHBondContact O-N 2.82Å; V315-I327 HydrophobicContact CG2-CG1 4.47Å; V315-I327 HydrophobicContact CG2-CG2 4.24Å; V315-L351 HydrophobicContact CG1-CB 3.97Å; V315-R352 WeakPolarHBondContact CG1-O 3.42Å; V315-D354 PolarHBondContact O-N 3.47Å; V315-R355 PolarHBondContact N-O 2.95Å; V315-R355 VanDerWaalsContact N-O 3.09Å; V315-F357 HydrophobicContact CB-CD2 4.25Å; V315-F357 HydrophobicContact CB-CE2 4.25Å; V315-F357 HydrophobicContact CG2-CD2 3.6Å; V315-F357 HydrophobicContact CG2-CE2 3.99Å; V315-I370 HydrophobicContact CG1-CG1 4.3Å; V315-I370 HydrophobicContact CG1-CG2 4.11Å; V315-I370 HydrophobicContact CG2-CD1 3.97Å; V315-I370 HydrophobicContact CG2-CG1 4.16Å
316R94.9Very high95.4Very high94 Ų9432.8 Ų32.836%0.35516%0.162SC..  trans-69.1137.5174.2-65.1173.1-66.9170.13.8110.3D314 N318 S319 V320D314-R316 IonicContact OD1-CZ 2.75Å; D314-R316 PolarHBondContact OD1-N 2.99Å; D314-R316 IonicContact OD1-NE 3.77Å; D314-R316 PolarHBondContact OD1-NE 3.02Å; D314-R316 IonicContact OD1-NH2 2.65Å; D314-R316 PolarHBondContact OD1-NH2 3.37Å; D314-R316 IonicContact OD2-CZ 3.86Å; D314-R316 IonicContact OD2-NE 3.37Å; D314-R316 IonicContact OD2-NH2 3.45Å; D314-R316 PolarHBondContact OD2-NH2 2.66Å; R316-N318 WeakPolarHBondContact CB-OD1 3.37Å; R316-N318 PolarHBondContact O-N 2.64Å; R316-S319 WeakPolarHBondContact O-CA 3.46Å; R316-S319 VanDerWaalsContact O-CB 3.3Å; R316-S319 WeakPolarHBondContact O-CB 3.22Å; R316-S319 PolarHBondContact O-N 3.44Å; R316-V320 PolarHBondContact O-N 3.16Å
317S93.2Very high95.6Very high2 Ų232 Ų321%0.01416%0.158CC..Hα-helixtrans-53.3-49.2179.6-76.10000112.9H211 S319 V320 R321 D354H211-S317 PolarHBondContact ND1-OG 3.08Å; S317-S319 PolarHBondContact O-N 2.87Å; S317-V320 PolarHBondContact O-N 2.89Å; S317-R321 WeakPolarHBondContact O-CB 3.18Å; S317-R321 WeakPolarHBondContact O-CG 3.17Å; S317-R321 PolarHBondContact O-N 2.94Å; S317-R321 PolarHBondContact OG-NE 3.15Å; S317-D354 WeakPolarHBondContact CB-OD1 3.49Å; S317-D354 PolarHBondContact N-OD1 2.93Å; S317-D354 VanDerWaalsContact N-OD1 3.09Å; S317-D354 PolarHBondContact OG-OD1 3.11Å
318N90Very high95.8Very high65 Ų6531.8 Ų31.835%0.34816%0.156SC..Hα-helixtrans-61.3-12.3174.264.312.1000115.9E212 R316 L322E212-N318 HydrophobicContact CG-CB 4.44Å; E212-N318 WeakPolarHBondContact OE1-CB 3.45Å; E212-N318 VanDerWaalsContact OE1-CG 3.31Å; E212-N318 PolarHBondContact OE1-N 3.19Å; R316-N318 WeakPolarHBondContact CB-OD1 3.37Å; R316-N318 PolarHBondContact O-N 2.64Å; N318-L322 WeakPolarHBondContact O-CD1 3.48Å
319S94.9Very high96Very high3 Ų328.1 Ų28.12%0.02114%0.137CC..Hα-helixtrans-93-59.8175.2-158.20000109.8D314 R316 S317 R321 L322 K323D314-S319 WeakPolarHBondContact OD2-CB 3.34Å; D314-S319 PolarHBondContact OD2-OG 3.25Å; R316-S319 WeakPolarHBondContact O-CA 3.46Å; R316-S319 VanDerWaalsContact O-CB 3.3Å; R316-S319 WeakPolarHBondContact O-CB 3.22Å; R316-S319 PolarHBondContact O-N 3.44Å; S317-S319 PolarHBondContact O-N 2.87Å; S319-R321 VanDerWaalsContact C-N 3.26Å; S319-R321 PolarHBondContact O-N 3.24Å; S319-L322 PolarHBondContact O-N 2.99Å; S319-K323 WeakPolarHBondContact O-CG 3.25Å; S319-K323 PolarHBondContact O-N 3.37Å; S319-K323 WeakPolarHBondContact OG-CE 3.16Å; S319-K323 PolarHBondContact OG-NZ 2.94Å
320V97.1Very high96.1Very high1 Ų128.6 Ų28.61%0.00614%0.139CC..Hα-helixtrans-70.4-22.1-173-56.20000113.4D314 R316 S317 I327 S348 L351 F405D314-V320 WeakPolarHBondContact O-CG1 3.44Å; R316-V320 PolarHBondContact O-N 3.16Å; S317-V320 PolarHBondContact O-N 2.89Å; V320-I327 HydrophobicContact CG1-CG2 4.32Å; V320-S348 WeakPolarHBondContact O-CB 3.37Å; V320-L351 HydrophobicContact CB-CD1 4.45Å; V320-L351 HydrophobicContact CG1-CD1 4.15Å; V320-L351 HydrophobicContact CG2-CB 4.47Å; V320-F405 WeakPolarHBondContact O-CD1 3.48Å
321R96.8Very high96.3Very high7 Ų724.5 Ų24.53%0.02612%0.12CC..THydrogen-bonded Turntrans-960.1-178-53.8-173.8-176.2-1604.9114.7S317 S319 S348 A401 F405S317-R321 WeakPolarHBondContact O-CB 3.18Å; S317-R321 WeakPolarHBondContact O-CG 3.17Å; S317-R321 PolarHBondContact O-N 2.94Å; S317-R321 PolarHBondContact OG-NE 3.15Å; S319-R321 VanDerWaalsContact C-N 3.26Å; S319-R321 PolarHBondContact O-N 3.24Å; R321-S348 WeakPolarHBondContact CG-OG 3.43Å; R321-A401 HydrophobicContact CB-CB 4.2Å; R321-A401 WeakPolarHBondContact CD-O 3.33Å; R321-A401 PolarHBondContact NH1-O 3.36Å; R321-F405 WeakPolarHBondContact O-CB 3.06Å; R321-F405 VanDerWaalsContact O-CG 3.27Å; R321-F405 WeakPolarHBondContact O-CG 3.43Å
322L95.9Very high96.3Very high44 Ų4422.5 Ų22.523%0.2311%0.108CC..THydrogen-bonded Turntrans-130.4-14.5-176.7-66.2178.4000113.9N318 S319 Y398 P399 A401N318-L322 WeakPolarHBondContact O-CD1 3.48Å; S319-L322 PolarHBondContact O-N 2.99Å; L322-Y398 HydrophobicContact CB-CE2 4.42Å; L322-Y398 HydrophobicContact CD2-CD2 4.12Å; L322-Y398 HydrophobicContact CD2-CE2 3.93Å; L322-P399 WeakPolarHBondContact CD2-O 3.13Å; L322-A401 HydrophobicContact CD1-CB 4.36Å; L322-A401 HydrophobicContact CD2-CB 4.26Å; L322-A401 HydrophobicContact CG-CB 4.19Å
323K96.6Very high96.3Very high107 Ų10722.2 Ų22.247%0.46511%0.106SC..SBendtrans-156.1166.5-177.558175.6-177.3-176.40111.4S319 F405S319-K323 WeakPolarHBondContact O-CG 3.25Å; S319-K323 PolarHBondContact O-N 3.37Å; S319-K323 WeakPolarHBondContact OG-CE 3.16Å; S319-K323 PolarHBondContact OG-NZ 2.94Å; K323-F405 WeakPolarHBondContact O-CE1 3.44Å
324E97.9Very high96.2Very high13 Ų1322.3 Ų22.36%0.06111%0.107CC..  trans-55.5137.5169.1-169.4-179.9159.900111.3N329 V565 D566 G567 R568 I569E324-N329 PolarHBondContact OE1-ND2 3.25Å; E324-V565 HydrophobicContact CB-CG1 4.1Å; E324-V565 HydrophobicContact CG-CG1 3.97Å; E324-D566 PolarHBondContact OE1-N 3.05Å; E324-G567 PolarHBondContact OE1-N 3.31Å; E324-G567 VanDerWaalsContact OE2-C 3.3Å; E324-G567 WeakPolarHBondContact OE2-CA 3.45Å; E324-G567 PolarHBondContact OE2-N 3.05Å; E324-R568 VanDerWaalsContact CD-N 3.28Å; E324-R568 PolarHBondContact OE1-N 2.92Å; E324-R568 PolarHBondContact OE2-N 3.35Å; E324-I569 HydrophobicContact CB-CB 4.12Å; E324-I569 PolarHBondContact OE2-N 3.28Å
325S97.1Very high96.3Very high8 Ų821.1 Ų21.16%0.05610%0.1CC..  trans-127.2147.1176.972.50000110.6I327 G328 N329S325-I327 VanDerWaalsContact C-N 3.3Å; S325-I327 PolarHBondContact O-N 3.07Å; S325-G328 PolarHBondContact O-N 2.83Å; S325-G328 PolarHBondContact OG-N 2.81Å; S325-N329 PolarHBondContact O-N 2.71Å; S325-N329 PolarHBondContact O-OD1 2.81Å
326N97Very high96.2Very high20 Ų2021.4 Ų21.411%0.10710%0.102CC..Hα-helixtrans-64.9-35.4178.562.5-23.5000112.5D312 N329 F330 P563 V565D312-N326 PolarHBondContact O-ND2 3.5Å; N326-N329 PolarHBondContact O-N 3.26Å; N326-F330 VanDerWaalsContact O-CB 3.31Å; N326-F330 WeakPolarHBondContact O-CB 3.44Å; N326-F330 PolarHBondContact O-N 2.86Å; N326-P563 HydrophobicContact CB-CB 4.47Å; N326-P563 HydrophobicContact CB-CG 4.47Å; N326-P563 WeakPolarHBondContact CB-O 3.18Å; N326-P563 WeakPolarHBondContact O-CB 3.27Å; N326-V565 HydrophobicContact CB-CG2 4.27Å
327I97.6Very high96.1Very high4 Ų417.2 Ų17.22%0.0219%0.087CC..Hα-helixtrans-67.6-39.2175.1-176.454.5000112F313 V315 V320 S325 F330 I331 L351 I370F313-I327 HydrophobicContact CB-CB 4.17Å; F313-I327 HydrophobicContact CD1-CB 4.5Å; F313-I327 HydrophobicContact CD2-CD1 3.67Å; F313-I327 HydrophobicContact CD2-CG1 4.41Å; F313-I327 HydrophobicContact CE2-CD1 3.81Å; F313-I327 HydrophobicContact CG-CB 4.21Å; F313-I327 HydrophobicContact CG-CD1 4.07Å; F313-I327 HydrophobicContact CG-CG1 4.45Å; F313-I327 HydrophobicContact CZ-CD1 4.35Å; V315-I327 HydrophobicContact CG2-CG1 4.47Å; V315-I327 HydrophobicContact CG2-CG2 4.24Å; V320-I327 HydrophobicContact CG1-CG2 4.32Å; S325-I327 VanDerWaalsContact C-N 3.3Å; S325-I327 PolarHBondContact O-N 3.07Å; I327-F330 HydrophobicContact CD1-CD1 4.08Å; I327-F330 WeakPolarHBondContact O-CB 3.49Å; I327-F330 PolarHBondContact O-N 3.26Å; I327-I331 HydrophobicContact CD1-CD1 3.8Å; I327-I331 HydrophobicContact CD1-CG1 4.12Å; I327-I331 HydrophobicContact CG1-CD1 3.92Å; I327-I331 WeakPolarHBondContact O-CG1 3.44Å; I327-I331 PolarHBondContact O-N 2.9Å; I327-L351 HydrophobicContact CG1-CD1 4.19Å; I327-L351 HydrophobicContact CG2-CD1 3.71Å; I327-I370 HydrophobicContact CG1-CG2 4.34Å
328G97.6Very high95.9Very high1 Ų119.1 Ų19.11%0.0110%0.103CC..Hα-helixtrans-62.4-46.117400000111.2S325 F330 I331 C332 M407S325-G328 PolarHBondContact O-N 2.83Å; S325-G328 PolarHBondContact OG-N 2.81Å; G328-F330 PolarHBondContact O-N 2.87Å; G328-I331 PolarHBondContact O-N 2.91Å; G328-C332 WeakPolarHBondContact O-CB 3.29Å; G328-C332 PolarHBondContact O-N 3.01Å; G328-C332 PolarHBondContact O-SG 3.44Å; G328-C332 VanDerWaalsContact O-SG 3.4Å; G328-M407 VanDerWaalsContact CA-SD 3.55Å
329N97.4Very high96Very high3 Ų316.3 Ų16.32%0.0169%0.088CC..Hα-helixtrans-58.5-48.3174.4-72.1-1.6000111.8E324 S325 N326 I331 C332 D333 Q564 D566 R568E324-N329 PolarHBondContact OE1-ND2 3.25Å; S325-N329 PolarHBondContact O-N 2.71Å; S325-N329 PolarHBondContact O-OD1 2.81Å; N326-N329 PolarHBondContact O-N 3.26Å; N329-I331 PolarHBondContact O-N 3.11Å; N329-C332 PolarHBondContact O-N 2.9Å; N329-D333 WeakPolarHBondContact O-CB 3.27Å; N329-D333 PolarHBondContact O-N 2.87Å; N329-Q564 PolarHBondContact ND2-O 3.25Å; N329-D566 PolarHBondContact ND2-OD1 2.98Å; N329-R568 WeakPolarHBondContact OD1-CD 3.43Å
330F97Very high95.8Very high12 Ų1220.2 Ų20.25%0.05311%0.106CC..Hα-helixtrans-56.3-49.1179.1-178.3-123.6000112.2F313 N326 I327 G328 D333 I334 Y483 F484 I561 P563F313-F330 HydrophobicContact CE2-CD1 4.45Å; F313-F330 HydrophobicContact CZ-CD1 4.08Å; F313-F330 HydrophobicContact CZ-CE1 4.25Å; N326-F330 VanDerWaalsContact O-CB 3.31Å; N326-F330 WeakPolarHBondContact O-CB 3.44Å; N326-F330 PolarHBondContact O-N 2.86Å; I327-F330 HydrophobicContact CD1-CD1 4.08Å; I327-F330 WeakPolarHBondContact O-CB 3.49Å; I327-F330 PolarHBondContact O-N 3.26Å; G328-F330 PolarHBondContact O-N 2.87Å; F330-D333 PolarHBondContact O-N 3.48Å; F330-I334 HydrophobicContact CD1-CD1 4.06Å; F330-I334 HydrophobicContact CD2-CD1 4.18Å; F330-I334 HydrophobicContact CE1-CD1 3.65Å; F330-I334 HydrophobicContact CE2-CD1 3.76Å; F330-I334 HydrophobicContact CE2-CG1 4.32Å; F330-I334 HydrophobicContact CG-CD1 4.32Å; F330-I334 HydrophobicContact CZ-CD1 3.5Å; F330-I334 VanDerWaalsContact O-CG1 3.28Å; F330-I334 WeakPolarHBondContact O-CG1 3.5Å; F330-I334 PolarHBondContact O-N 2.96Å; F330-Y483 HydrophobicContact CE2-CD1 4.27Å; F330-Y483 AromaticContact CE2-CE1 3.63Å; F330-Y483 HydrophobicContact CE2-CE1 3.63Å; F330-Y483 AromaticContact CE2-CZ 3.94Å; F330-Y483 AromaticContact CZ-CD1 3.92Å; F330-Y483 HydrophobicContact CZ-CD1 3.92Å; F330-Y483 AromaticContact CZ-CE1 3.65Å; F330-Y483 HydrophobicContact CZ-CE1 3.65Å; F330-F484 HydrophobicContact CE1-CE2 4.13Å; F330-F484 HydrophobicContact CE1-CZ 4.24Å; F330-F484 HydrophobicContact CZ-CE2 4.29Å; F330-F484 HydrophobicContact CZ-CZ 4.26Å; F330-I561 HydrophobicContact CD2-CG2 4.42Å; F330-I561 HydrophobicContact CE1-CG2 4.46Å; F330-I561 HydrophobicContact CE2-CG2 3.64Å; F330-I561 HydrophobicContact CZ-CG2 3.65Å; F330-P563 HydrophobicContact CB-CB 3.64Å; F330-P563 HydrophobicContact CB-CG 3.77Å; F330-P563 HydrophobicContact CD2-CB 4.1Å; F330-P563 HydrophobicContact CD2-CG 4.1Å; F330-P563 HydrophobicContact CG-CB 4.17Å; F330-P563 HydrophobicContact CG-CG 4Å
331I97.6Very high95.7Very high1 Ų120.3 Ų20.31%0.00511%0.106CC..Hα-helixtrans-65.7-47.5-178.7-72.7166.4000110.6I327 G328 N329 D333 I334 V335 L351 L371 L476 V480I327-I331 HydrophobicContact CD1-CD1 3.8Å; I327-I331 HydrophobicContact CD1-CG1 4.12Å; I327-I331 HydrophobicContact CG1-CD1 3.92Å; I327-I331 WeakPolarHBondContact O-CG1 3.44Å; I327-I331 PolarHBondContact O-N 2.9Å; G328-I331 PolarHBondContact O-N 2.91Å; N329-I331 PolarHBondContact O-N 3.11Å; I331-D333 VanDerWaalsContact C-N 3.3Å; I331-D333 PolarHBondContact O-N 3.21Å; I331-I334 WeakPolarHBondContact O-CB 3.47Å; I331-I334 PolarHBondContact O-N 3.38Å; I331-V335 WeakPolarHBondContact O-CG2 3.44Å; I331-V335 PolarHBondContact O-N 3.34Å; I331-L351 HydrophobicContact CD1-CD2 3.38Å; I331-L371 HydrophobicContact CD1-CD1 4.29Å; I331-L371 HydrophobicContact CD1-CD2 4.19Å; I331-L371 HydrophobicContact CD1-CG 4.44Å; I331-L476 HydrophobicContact CG2-CD1 3.81Å; I331-L476 HydrophobicContact CG2-CD2 4.28Å; I331-L476 HydrophobicContact CG2-CG 4.41Å; I331-V480 HydrophobicContact CG1-CG2 4.48Å
332C97.8Very high95.7Very high0 Ų021.4 Ų21.40%011%0.113CC..Hα-helixtrans-65.1-33.5179.7-68.60000112.7G328 N329 V335 L336 V344 M407 I408G328-C332 WeakPolarHBondContact O-CB 3.29Å; G328-C332 PolarHBondContact O-N 3.01Å; G328-C332 PolarHBondContact O-SG 3.44Å; G328-C332 VanDerWaalsContact O-SG 3.4Å; N329-C332 PolarHBondContact O-N 2.9Å; C332-V335 WeakPolarHBondContact O-CB 3.38Å; C332-V335 PolarHBondContact O-N 2.8Å; C332-L336 PolarHBondContact O-N 2.99Å; C332-V344 HydrophobicContact CB-CB 4.24Å; C332-V344 HydrophobicContact CB-CG1 4.11Å; C332-M407 VanDerWaalsContact SG-C 3.57Å; C332-I408 VanDerWaalsContact CB-C 3.45Å; C332-I408 WeakPolarHBondContact CB-O 3.5Å
333D95.7Very high95.8Very high55 Ų5519.3 Ų19.329%0.29410%0.102SC..Hα-helixtrans-66.7-42173.9-72.2-11.6000111.6N329 F330 I331 V335 L336 T337 R568N329-D333 WeakPolarHBondContact O-CB 3.27Å; N329-D333 PolarHBondContact O-N 2.87Å; F330-D333 PolarHBondContact O-N 3.48Å; I331-D333 VanDerWaalsContact C-N 3.3Å; I331-D333 PolarHBondContact O-N 3.21Å; D333-V335 VanDerWaalsContact C-N 3.29Å; D333-V335 PolarHBondContact O-N 3.26Å; D333-L336 WeakPolarHBondContact O-CB 3.2Å; D333-L336 PolarHBondContact O-N 3.5Å; D333-T337 WeakPolarHBondContact O-CG2 3.29Å; D333-T337 PolarHBondContact O-N 3.09Å; D333-R568 VanDerWaalsContact CG-NH2 3.35Å; D333-R568 IonicContact OD1-CZ 3.76Å; D333-R568 IonicContact OD1-NH1 2.6Å; D333-R568 PolarHBondContact OD1-NH1 3.33Å; D333-R568 IonicContact OD1-NH2 2.77Å; D333-R568 PolarHBondContact OD1-NH2 2.88Å; D333-R568 IonicContact OD2-CZ 3.33Å; D333-R568 IonicContact OD2-NH1 3.74Å; D333-R568 IonicContact OD2-NH2 3.96Å; D333-R568 PolarHBondContact OD2-NH2 3.18Å
334I95.8Very high95.9Very high2 Ų214.2 Ų14.21%0.018%0.08CC..Hα-helixtrans-58.7-43.2173.1-70.3173.1000110.4F330 I331 L336 T337 L479 V480 Y483F330-I334 HydrophobicContact CD1-CD1 4.06Å; F330-I334 HydrophobicContact CD2-CD1 4.18Å; F330-I334 HydrophobicContact CE1-CD1 3.65Å; F330-I334 HydrophobicContact CE2-CD1 3.76Å; F330-I334 HydrophobicContact CE2-CG1 4.32Å; F330-I334 HydrophobicContact CG-CD1 4.32Å; F330-I334 HydrophobicContact CZ-CD1 3.5Å; F330-I334 VanDerWaalsContact O-CG1 3.28Å; F330-I334 WeakPolarHBondContact O-CG1 3.5Å; F330-I334 PolarHBondContact O-N 2.96Å; I331-I334 WeakPolarHBondContact O-CB 3.47Å; I331-I334 PolarHBondContact O-N 3.38Å; I334-L336 VanDerWaalsContact C-N 3.31Å; I334-L336 PolarHBondContact O-N 3.26Å; I334-T337 WeakPolarHBondContact O-CB 3.34Å; I334-T337 PolarHBondContact O-N 2.9Å; I334-T337 PolarHBondContact O-OG1 3.28Å; I334-L479 HydrophobicContact CG2-CD1 4.37Å; I334-L479 HydrophobicContact CG2-CD2 3.98Å; I334-L479 HydrophobicContact CG2-CG 3.69Å; I334-V480 HydrophobicContact CD1-CG1 4.14Å; I334-V480 HydrophobicContact CD1-CG2 4.32Å; I334-Y483 HydrophobicContact CD1-CD1 3.8Å; I334-Y483 HydrophobicContact CD1-CD2 3.98Å; I334-Y483 HydrophobicContact CD1-CE1 4.33Å; I334-Y483 HydrophobicContact CD1-CE2 4.45Å; I334-Y483 HydrophobicContact CD1-CG 3.62Å; I334-Y483 HydrophobicContact CG1-CD1 4.3Å; I334-Y483 HydrophobicContact CG1-CD2 3.58Å; I334-Y483 HydrophobicContact CG1-CE2 3.93Å; I334-Y483 HydrophobicContact CG1-CG 3.78Å; I334-Y483 HydrophobicContact CG2-CD2 4.42Å; I334-Y483 HydrophobicContact CG2-CG 4.5Å
335V97.2Very high96Very high0 Ų013.6 Ų13.60%08%0.077CC..Hα-helixtrans-56-45.4177.1173.90000111.4I331 C332 D333 T337 A338 V339 V344 I346 L377 C446 L476 L479I331-V335 WeakPolarHBondContact O-CG2 3.44Å; I331-V335 PolarHBondContact O-N 3.34Å; C332-V335 WeakPolarHBondContact O-CB 3.38Å; C332-V335 PolarHBondContact O-N 2.8Å; D333-V335 VanDerWaalsContact C-N 3.29Å; D333-V335 PolarHBondContact O-N 3.26Å; V335-T337 PolarHBondContact O-N 3.08Å; V335-T337 VanDerWaalsContact O-N 3.11Å; V335-A338 PolarHBondContact O-N 2.92Å; V335-V339 HydrophobicContact CG1-CG2 4.06Å; V335-V339 WeakPolarHBondContact O-CG2 3.24Å; V335-V339 PolarHBondContact O-N 3.11Å; V335-V344 HydrophobicContact CB-CG1 4.15Å; V335-V344 HydrophobicContact CB-CG2 3.95Å; V335-V344 HydrophobicContact CG1-CB 4.44Å; V335-V344 HydrophobicContact CG1-CG1 3.92Å; V335-V344 HydrophobicContact CG1-CG2 3.58Å; V335-I346 HydrophobicContact CG2-CD1 4.25Å; V335-L377 HydrophobicContact CG1-CD1 4.09Å; V335-L377 HydrophobicContact CG2-CD1 3.99Å; V335-C446 HydrophobicContact CG1-CB 4.04Å; V335-C446 VanDerWaalsContact CG1-SG 3.59Å; V335-L476 HydrophobicContact CG2-CD1 3.53Å; V335-L479 HydrophobicContact CB-CD2 4.39Å; V335-L479 HydrophobicContact CG2-CD2 3.98Å
336L95.5Very high96Very high7 Ų713.2 Ų13.24%0.0377%0.074CC..Hα-helixtrans-62.1-18.6177.3-72.3173000114.8C332 D333 I334 A341 V344 P506 F507C332-L336 PolarHBondContact O-N 2.99Å; D333-L336 WeakPolarHBondContact O-CB 3.2Å; D333-L336 PolarHBondContact O-N 3.5Å; I334-L336 VanDerWaalsContact C-N 3.31Å; I334-L336 PolarHBondContact O-N 3.26Å; L336-A341 HydrophobicContact CD2-CB 4.41Å; L336-V344 HydrophobicContact CD2-CG2 3.61Å; L336-V344 HydrophobicContact CG-CG2 3.61Å; L336-P506 HydrophobicContact CB-CB 4.07Å; L336-P506 HydrophobicContact CB-CG 4.38Å; L336-P506 WeakPolarHBondContact O-CA 3.4Å; L336-F507 PolarHBondContact O-N 3.31Å
337T92.4Very high96.1Very high6 Ų612.6 Ų12.64%0.0377%0.071CC..Hα-helixtrans-75.1-28.4175.673.70000112.7D333 I334 V335 Q502 C503 L504 R510D333-T337 WeakPolarHBondContact O-CG2 3.29Å; D333-T337 PolarHBondContact O-N 3.09Å; I334-T337 WeakPolarHBondContact O-CB 3.34Å; I334-T337 PolarHBondContact O-N 2.9Å; I334-T337 PolarHBondContact O-OG1 3.28Å; V335-T337 PolarHBondContact O-N 3.08Å; V335-T337 VanDerWaalsContact O-N 3.11Å; T337-Q502 PolarHBondContact OG1-NE2 3.05Å; T337-Q502 VanDerWaalsContact OG1-NE2 3.16Å; T337-C503 WeakPolarHBondContact CB-O 3.4Å; T337-C503 PolarHBondContact OG1-O 3.32Å; T337-L504 WeakPolarHBondContact CG2-O 3.46Å; T337-R510 PolarHBondContact O-NH2 3.4Å
338A89.9Confident96Very high43 Ų4312.4 Ų12.436%0.3557%0.07SC..Hα-helixtrans-103.9-24.6-170.400000115V335 P474 L479V335-A338 PolarHBondContact O-N 2.92Å; A338-P474 HydrophobicContact CB-CG 4.04Å; A338-L479 HydrophobicContact CB-CD1 3.25Å; A338-L479 HydrophobicContact CB-CD2 4.06Å; A338-L479 HydrophobicContact CB-CG 4.32Å
339V90.8Very high96Very high5 Ų512.9 Ų12.93%0.038%0.075CC..SBendtrans-114.4146.1178.9-61.70000111.7V335 A341 V379 C446V335-V339 HydrophobicContact CG1-CG2 4.06Å; V335-V339 WeakPolarHBondContact O-CG2 3.24Å; V335-V339 PolarHBondContact O-N 3.11Å; V339-A341 VanDerWaalsContact C-N 3.26Å; V339-A341 HydrophobicContact CG2-CB 3.83Å; V339-A341 PolarHBondContact O-N 2.67Å; V339-V379 HydrophobicContact CB-CG2 3.97Å; V339-V379 HydrophobicContact CG1-CG2 4.33Å; V339-V379 HydrophobicContact CG2-CG2 4.2Å; V339-C446 HydrophobicContact CG2-CB 3.83Å
340E90.7Very high95.9Very high85 Ų8513 Ų1340%0.3978%0.075SC..  trans-74.784.4168-58.8-161.5-174.400108.7R444 F507 R511E340-R444 PolarHBondContact O-NE 2.52Å; E340-R444 PolarHBondContact O-NH2 3.49Å; E340-R444 VanDerWaalsContact O-NH2 3.12Å; E340-F507 HydrophobicContact CB-CD1 4.02Å; E340-F507 HydrophobicContact CB-CE1 3.9Å; E340-F507 HydrophobicContact CB-CG 4.47Å; E340-F507 HydrophobicContact CB-CZ 4.34Å; E340-F507 VanDerWaalsContact CD-CE1 3.44Å; E340-F507 HydrophobicContact CG-CD1 3.85Å; E340-F507 HydrophobicContact CG-CD2 3.93Å; E340-F507 HydrophobicContact CG-CE1 3.52Å; E340-F507 HydrophobicContact CG-CE2 3.67Å; E340-F507 HydrophobicContact CG-CG 4.01Å; E340-F507 HydrophobicContact CG-CZ 3.46Å; E340-F507 VanDerWaalsContact CG-CZ 3.46Å; E340-F507 WeakPolarHBondContact OE1-CE2 3.49Å; E340-F507 WeakPolarHBondContact OE1-CZ 3.25Å; E340-F507 WeakPolarHBondContact OE2-CE1 3.43Å; E340-F507 WeakPolarHBondContact OE2-CZ 3.44Å; E340-R511 IonicContact OE2-NH2 3.51Å; E340-R511 PolarHBondContact OE2-NH2 3.45Å
341A95.8Very high95.9Very high3 Ų312.4 Ų12.43%0.0257%0.073CC..  trans-130.6148.8176.100000110.6L336 V339 V379 C446L336-A341 HydrophobicContact CD2-CB 4.41Å; V339-A341 VanDerWaalsContact C-N 3.26Å; V339-A341 HydrophobicContact CG2-CB 3.83Å; V339-A341 PolarHBondContact O-N 2.67Å; A341-V379 HydrophobicContact CB-CG1 4.45Å; A341-C446 HydrophobicContact CB-CB 3.98Å
342D97.2Very high95.8Very high31 Ų3112.9 Ų12.917%0.1668%0.075CC..SBendtrans-80.1-30.1172.8-60.3-58.8000110.8I432 Q433 Y443 R444D342-I432 HydrophobicContact CB-CG2 3.94Å; D342-Q433 WeakPolarHBondContact O-CG 3.38Å; D342-Q433 PolarHBondContact O-NE2 3.3Å; D342-Y443 HydrophobicContact CB-CD1 4.39Å; D342-Y443 WeakPolarHBondContact OD2-CA 3.46Å; D342-R444 PolarHBondContact N-O 2.71Å; D342-R444 PolarHBondContact OD2-N 3.17Å
343C98.2Very high95.5Very high0 Ų012.9 Ų12.90%08%0.075CC..EExtended strand (participates in β ladder)trans-155.6167.2-18055.90000111.7G409 M411 I432 R444 L445 C446C343-G409 CarbonylContact C-O 3.54Å; C343-G409 VanDerWaalsContact CA-O 3.23Å; C343-G409 WeakPolarHBondContact CA-O 3.45Å; C343-G409 WeakPolarHBondContact CB-O 3.24Å; C343-M411 HydrophobicContact CB-CB 4.07Å; C343-M411 HydrophobicContact CB-CE 3.47Å; C343-M411 VanDerWaalsContact CB-CE 3.47Å; C343-M411 HydrophobicContact CB-CG 4.33Å; C343-M411 VanDerWaalsContact SG-CE 3.51Å; C343-I432 HydrophobicContact CB-CG2 4.32Å; C343-R444 PolarHBondContact N-O 3.42Å; C343-L445 HydrophobicContact CB-CD1 4.41Å; C343-L445 WeakPolarHBondContact O-CA 3.23Å; C343-L445 WeakPolarHBondContact SG-CD1 3.49Å; C343-C446 PolarHBondContact O-N 2.92Å
344V98.4Very high95.4Very high0 Ų011.1 Ų11.10%07%0.066CC..EExtended strand (participates in β ladder)trans-128.9139.2-180-179.80000108.6C332 V335 L336 I346 I408 G409 C446C332-V344 HydrophobicContact CB-CB 4.24Å; C332-V344 HydrophobicContact CB-CG1 4.11Å; V335-V344 HydrophobicContact CB-CG1 4.15Å; V335-V344 HydrophobicContact CB-CG2 3.95Å; V335-V344 HydrophobicContact CG1-CB 4.44Å; V335-V344 HydrophobicContact CG1-CG1 3.92Å; V335-V344 HydrophobicContact CG1-CG2 3.58Å; L336-V344 HydrophobicContact CD2-CG2 3.61Å; L336-V344 HydrophobicContact CG-CG2 3.61Å; V344-I346 HydrophobicContact CG1-CD1 4.1Å; V344-I346 HydrophobicContact CG1-CG1 3.98Å; V344-I408 WeakPolarHBondContact O-CA 3.41Å; V344-G409 PolarHBondContact N-O 3.09Å; V344-G409 PolarHBondContact O-N 2.77Å; V344-G409 VanDerWaalsContact O-N 3.14Å; V344-C446 WeakPolarHBondContact CA-O 3.47Å; V344-C446 HydrophobicContact CG2-CB 4.09Å
345L98.7Very high95.3Very high0 Ų012.5 Ų12.50%07%0.071CC..EExtended strand (participates in β ladder)trans-136.2122.2166.6-173.7155.8000109.3V390 L391 P406 M407 M411 L445 C446 T447 L451 Y458 F461L345-V390 HydrophobicContact CD1-CG1 3.73Å; L345-L391 HydrophobicContact CD1-CD2 3.99Å; L345-P406 HydrophobicContact CD1-CB 4.2Å; L345-P406 HydrophobicContact CG-CB 4.19Å; L345-M407 WeakPolarHBondContact CA-O 3.18Å; L345-M411 HydrophobicContact CB-CE 4.45Å; L345-L445 HydrophobicContact CB-CD1 3.94Å; L345-C446 PolarHBondContact N-O 3.49Å; L345-T447 WeakPolarHBondContact O-CA 3.37Å; L345-T447 VanDerWaalsContact O-CB 3.27Å; L345-T447 WeakPolarHBondContact O-CB 3.17Å; L345-T447 PolarHBondContact O-OG1 3.35Å; L345-L451 HydrophobicContact CD2-CD1 3.81Å; L345-Y458 HydrophobicContact CD1-CE1 4.44Å; L345-Y458 HydrophobicContact CD2-CD1 4.49Å; L345-Y458 HydrophobicContact CD2-CE1 3.58Å; L345-F461 HydrophobicContact CD2-CE2 4.46Å; L345-F461 HydrophobicContact CD2-CZ 4.26Å
346I98.2Very high95.2Very high0 Ų014.9 Ų14.90%08%0.083CC..EExtended strand (participates in β ladder)trans-128.3143.3173.7-60.4175.7000107.1V335 V344 T350 L377 M407 T448 L476V335-I346 HydrophobicContact CG2-CD1 4.25Å; V344-I346 HydrophobicContact CG1-CD1 4.1Å; V344-I346 HydrophobicContact CG1-CG1 3.98Å; I346-T350 HydrophobicContact CG2-CG2 4.05Å; I346-T350 WeakPolarHBondContact CG2-OG1 3.26Å; I346-L377 HydrophobicContact CD1-CD2 4.19Å; I346-M407 HydrophobicContact CB-CE 3.95Å; I346-M407 HydrophobicContact CG2-CE 3.62Å; I346-M407 PolarHBondContact N-O 2.95Å; I346-M407 WeakPolarHBondContact O-CB 3.32Å; I346-M407 PolarHBondContact O-N 3.05Å; I346-T448 HydrophobicContact CD1-CG2 4.45Å; I346-T448 HydrophobicContact CG1-CG2 4.16Å; I346-T448 HydrophobicContact CG2-CG2 3.83Å; I346-L476 HydrophobicContact CD1-CD1 4.35Å; I346-L476 HydrophobicContact CD1-CD2 4.18Å
347N97.7Very high95.2Very high7 Ų714.9 Ų14.94%0.0378%0.083CC..EExtended strand (participates in β ladder)trans-75.4139.6177.362.5-47.1000110.1G349 T350 G403 L451 D456N347-G349 PolarHBondContact O-N 2.95Å; N347-G349 VanDerWaalsContact O-N 3.08Å; N347-T350 WeakPolarHBondContact O-CB 2.95Å; N347-T350 PolarHBondContact O-N 3.2Å; N347-T350 PolarHBondContact O-OG1 2.92Å; N347-T350 PolarHBondContact OD1-OG1 3.16Å; N347-G403 CarbonylContact C-O 3.5Å; N347-G403 WeakPolarHBondContact CB-O 3.44Å; N347-L451 HydrophobicContact CB-CD1 3.94Å; N347-L451 HydrophobicContact CB-CD2 3.91Å; N347-L451 HydrophobicContact CB-CG 4.34Å; N347-D456 PolarHBondContact ND2-OD2 3.49Å
348S97.5Very high95.3Very high0 Ų019.4 Ų19.40%010%0.102CC..G310 helixtrans-57.9-22.1179.8630000113.8V320 R321 T350 L351 G403 F405V320-S348 WeakPolarHBondContact O-CB 3.37Å; R321-S348 WeakPolarHBondContact CG-OG 3.43Å; S348-T350 PolarHBondContact O-N 3.04Å; S348-L351 PolarHBondContact O-N 2.76Å; S348-G403 PolarHBondContact N-O 3.46Å; S348-G403 PolarHBondContact OG-O 3.13Å; S348-F405 VanDerWaalsContact CB-O 3.25Å; S348-F405 WeakPolarHBondContact CB-O 3.49Å; S348-F405 PolarHBondContact N-O 2.81Å; S348-F405 PolarHBondContact OG-O 3.23Å
349G95.6Very high95.6Very high11 Ų1119.7 Ų19.711%0.11310%0.104CC..G310 helixtrans-59.3-19.4172.100000114.6N347 L351 G403N347-G349 PolarHBondContact O-N 2.95Å; N347-G349 VanDerWaalsContact O-N 3.08Å; G349-L351 VanDerWaalsContact C-N 3.28Å; G349-L351 PolarHBondContact O-N 2.92Å; G349-G403 PolarHBondContact N-O 3.26Å
350T96.4Very high95.8Very high4 Ų420.8 Ų20.83%0.02512%0.116CC..G310 helixtrans-64-31169.6-69.40000112.4I346 N347 S348 L371 D375 L476I346-T350 HydrophobicContact CG2-CG2 4.05Å; I346-T350 WeakPolarHBondContact CG2-OG1 3.26Å; N347-T350 WeakPolarHBondContact O-CB 2.95Å; N347-T350 PolarHBondContact O-N 3.2Å; N347-T350 PolarHBondContact O-OG1 2.92Å; N347-T350 PolarHBondContact OD1-OG1 3.16Å; S348-T350 PolarHBondContact O-N 3.04Å; T350-L371 HydrophobicContact CG2-CD2 3.63Å; T350-D375 VanDerWaalsContact CG2-OD2 3.28Å; T350-D375 WeakPolarHBondContact CG2-OD2 3.42Å; T350-D375 PolarHBondContact OG1-OD2 3.28Å; T350-L476 HydrophobicContact CG2-CD2 3.84Å
351L96.7Very high96Very high1 Ų121.9 Ų21.91%0.00512%0.124CC..  trans-88.2127.8178-54.9-168.4000111V315 V320 I327 I331 S348 G349 I370 L371 M407V315-L351 HydrophobicContact CG1-CB 3.97Å; V320-L351 HydrophobicContact CB-CD1 4.45Å; V320-L351 HydrophobicContact CG1-CD1 4.15Å; V320-L351 HydrophobicContact CG2-CB 4.47Å; I327-L351 HydrophobicContact CG1-CD1 4.19Å; I327-L351 HydrophobicContact CG2-CD1 3.71Å; I331-L351 HydrophobicContact CD1-CD2 3.38Å; S348-L351 PolarHBondContact O-N 2.76Å; G349-L351 VanDerWaalsContact C-N 3.28Å; G349-L351 PolarHBondContact O-N 2.92Å; L351-I370 WeakPolarHBondContact CA-O 3.33Å; L351-I370 HydrophobicContact CD2-CG2 4.04Å; L351-L371 HydrophobicContact CD2-CD2 3.68Å; L351-M407 HydrophobicContact CD1-CE 4.25Å; L351-M407 HydrophobicContact CD1-SD 3.25Å; L351-M407 WeakPolarHBondContact CD1-SD 3.12Å; L351-M407 HydrophobicContact CD2-CE 3.96Å; L351-M407 HydrophobicContact CD2-SD 4.03Å; L351-M407 HydrophobicContact CG-CE 3.73Å; L351-M407 HydrophobicContact CG-SD 3.41Å; L351-M407 WeakPolarHBondContact CG-SD 3.33Å
352R95.4Very high95.9Very high10 Ų1021.9 Ų21.94%0.03812%0.124CC..  trans-125.7-178.7179.1-54.6-64-78.5-155.3-4.1111Y15 P55 H84 V315 T369 I370 P372 Y373Y15-R352 VanDerWaalsContact CE2-NH2 3.32Å; Y15-R352 PolarHBondContact OH-NH2 3.44Å; P55-R352 HydrophobicContact CG-CG 4.09Å; P55-R352 VanDerWaalsContact CG-NE 3.3Å; H84-R352 PolarHBondContact NE2-NH1 3.33Å; V315-R352 WeakPolarHBondContact CG1-O 3.42Å; R352-T369 CarbonylContact C-O 3.51Å; R352-I370 PolarHBondContact N-O 3.14Å; R352-I370 WeakPolarHBondContact O-CA 3.39Å; R352-P372 HydrophobicContact CB-CG 3.91Å; R352-P372 HydrophobicContact CG-CG 3.58Å; R352-Y373 HydrophobicContact CG-CE2 4.17Å
353G92.4Very high95.8Very high1 Ų120.6 Ų20.61%0.0112%0.117CC..  trans106.9-14.5172.500000115.1R355G353-R355 WeakPolarHBondContact O-CG 3.49Å; G353-R355 PolarHBondContact O-N 3.16Å
354D93.6Very high95.6Very high18 Ų1821.7 Ų21.710%0.09612%0.123CC..  trans48.933.6163.1-67.6-67000116.9H211 V315 S317H211-D354 IonicContact CE1-OD2 3.65Å; H211-D354 IonicContact CG-OD1 3.75Å; H211-D354 IonicContact CG-OD2 2.95Å; H211-D354 IonicContact ND1-OD1 2.75Å; H211-D354 PolarHBondContact ND1-OD1 3.48Å; H211-D354 IonicContact ND1-OD2 3.71Å; H211-D354 PolarHBondContact ND1-OD2 2.95Å; V315-D354 PolarHBondContact O-N 3.47Å; S317-D354 WeakPolarHBondContact CB-OD1 3.49Å; S317-D354 PolarHBondContact N-OD1 2.93Å; S317-D354 VanDerWaalsContact N-OD1 3.09Å; S317-D354 PolarHBondContact OG-OD1 3.11Å
355R93.2Very high95.4Very high31 Ų3122.9 Ų22.912%0.11713%0.127CC..SBendtrans-151.1173.4179.871-166.2179.3-129.4-4112.3V315 G353 F357V315-R355 PolarHBondContact N-O 2.95Å; V315-R355 VanDerWaalsContact N-O 3.09Å; G353-R355 WeakPolarHBondContact O-CG 3.49Å; G353-R355 PolarHBondContact O-N 3.16Å; R355-F357 HydrophobicContact CG-CD2 3.97Å; R355-F357 HydrophobicContact CG-CE2 3.68Å; R355-F357 HydrophobicContact CG-CZ 4.18Å; R355-F357 VanDerWaalsContact NH2-CZ 3.33Å
356I95Very high95.2Very high49 Ų4923.5 Ų23.525%0.25113%0.131SC..EExtended strand (participates in β ladder)trans-89.8116.2169.6-61176.2000108.3Q22 D312 F313 K358Q22-I356 PolarHBondContact OE1-O 3.12Å; D312-I356 HydrophobicContact CB-CG2 3.7Å; F313-I356 CarbonylContact O-C 3.59Å; F313-I356 WeakPolarHBondContact O-CA 3Å; I356-K358 HydrophobicContact CG2-CD 4.27Å; I356-K358 PolarHBondContact O-N 3.06Å
357F95.2Very high95.1Very high7 Ų723.8 Ų23.83%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-83112.6171.1-70.6-105.1000108.4D312 F313 V315 R355 F362 D366 T369 I370D312-F357 CarbonylContact C-O 3.4Å; D312-F357 WeakPolarHBondContact CA-O 3.19Å; F313-F357 HydrophobicContact CB-CB 4.25Å; F313-F357 PolarHBondContact N-O 3.26Å; F313-F357 PolarHBondContact O-N 3.24Å; V315-F357 HydrophobicContact CB-CD2 4.25Å; V315-F357 HydrophobicContact CB-CE2 4.25Å; V315-F357 HydrophobicContact CG2-CD2 3.6Å; V315-F357 HydrophobicContact CG2-CE2 3.99Å; R355-F357 HydrophobicContact CG-CD2 3.97Å; R355-F357 HydrophobicContact CG-CE2 3.68Å; R355-F357 HydrophobicContact CG-CZ 4.18Å; R355-F357 VanDerWaalsContact NH2-CZ 3.33Å; F357-F362 HydrophobicContact CD1-CE2 4.48Å; F357-D366 HydrophobicContact CD1-CB 3.84Å; F357-D366 HydrophobicContact CE1-CB 3.79Å; F357-T369 HydrophobicContact CZ-CG2 4.01Å; F357-I370 HydrophobicContact CD1-CD1 4.26Å; F357-I370 HydrophobicContact CD2-CD1 3.88Å; F357-I370 HydrophobicContact CD2-CG1 4.09Å; F357-I370 HydrophobicContact CE1-CD1 4.28Å; F357-I370 HydrophobicContact CE1-CG1 4.23Å; F357-I370 HydrophobicContact CE2-CD1 3.91Å; F357-I370 HydrophobicContact CE2-CG1 3.59Å; F357-I370 HydrophobicContact CG-CD1 4.05Å; F357-I370 HydrophobicContact CZ-CD1 4.11Å; F357-I370 HydrophobicContact CZ-CG1 3.66Å
358K95.2Very high95Very high102 Ų10223.6 Ų23.644%0.44313%0.131SC..  trans-67.6146.2-174.2-64.8-63.3178.2-177.50112.5D312 I356D312-K358 WeakPolarHBondContact OD1-CA 3.48Å; D312-K358 VanDerWaalsContact OD2-CD 3.24Å; D312-K358 WeakPolarHBondContact OD2-CD 3.43Å; D312-K358 IonicContact OD2-NZ 3.28Å; D312-K358 PolarHBondContact OD2-NZ 3.34Å; I356-K358 HydrophobicContact CG2-CD 4.27Å; I356-K358 PolarHBondContact O-N 3.06Å
359A95.7Very high94.8Very high48 Ų4824 Ų2440%0.39713%0.134SC..SBendtrans-49.5143.8168.100000111I309 D312I309-A359 CarbonylContact O-C 3.56Å; I309-A359 WeakPolarHBondContact O-CA 3.46Å; D312-A359 PolarHBondContact OD1-N 2.94Å
360G94.7Very high94.9Very high28 Ų2823.5 Ų23.529%0.28913%0.129SC..EExtended strand (participates in β ladder)trans125.1-146.1-176.600000112.6L308 I309 F362L308-G360 WeakPolarHBondContact CA-O 3.44Å; I309-G360 PolarHBondContact N-O 2.9Å; I309-G360 PolarHBondContact O-N 2.77Å; G360-F362 PolarHBondContact O-N 3.15Å
361L94.4Very high94.9Very high108 Ų10823.4 Ų23.457%0.56513%0.128SC*.EExtended strand (participates in β ladder)trans-67.8112.8-175.1-172.767.3000111.6P305 L308 T363P305-L361 HydrophobicContact CB-CD1 3.93Å; P305-L361 HydrophobicContact CG-CD1 4.42Å; L308-L361 HydrophobicContact CD2-CB 4.48Å; L308-L361 HydrophobicContact CD2-CD1 4.4Å; L361-T363 HydrophobicContact CD2-CG2 4.48Å; L361-T363 HydrophobicContact CG-CG2 4.33Å
362F95.3Very high94.8Very high4 Ų423.5 Ų23.52%0.01813%0.128CC..EExtended strand (participates in β ladder)trans-99.8126.8174.7-165.5-108000110.1L306 G307 I309 F313 F357 G360 D366 L367 I370 F484L306-F362 HydrophobicContact CD1-CD1 4.35Å; L306-F362 HydrophobicContact CD1-CE1 4.42Å; L306-F362 PolarHBondContact N-O 3.17Å; G307-F362 PolarHBondContact N-O 3.45Å; G307-F362 PolarHBondContact O-N 2.75Å; I309-F362 HydrophobicContact CD1-CD2 3.89Å; I309-F362 HydrophobicContact CG1-CB 4.22Å; I309-F362 HydrophobicContact CG1-CD2 4.46Å; I309-F362 HydrophobicContact CG2-CB 3.92Å; I309-F362 HydrophobicContact CG2-CD2 4.42Å; I309-F362 HydrophobicContact CG2-CG 4.09Å; F313-F362 HydrophobicContact CD2-CE2 4.3Å; F313-F362 HydrophobicContact CE2-CE2 4.42Å; F357-F362 HydrophobicContact CD1-CE2 4.48Å; G360-F362 PolarHBondContact O-N 3.15Å; F362-D366 HydrophobicContact CD2-CB 3.65Å; F362-D366 HydrophobicContact CE2-CB 3.4Å; F362-D366 VanDerWaalsContact CE2-CB 3.4Å; F362-D366 HydrophobicContact CG-CB 4.35Å; F362-D366 HydrophobicContact CZ-CB 3.93Å; F362-L367 HydrophobicContact CE1-CB 3.72Å; F362-L367 HydrophobicContact CE1-CD1 4.16Å; F362-L367 HydrophobicContact CE1-CG 4.44Å; F362-L367 HydrophobicContact CZ-CB 4.01Å; F362-L367 HydrophobicContact CZ-CD1 4.36Å; F362-I370 HydrophobicContact CE2-CD1 3.89Å; F362-I370 HydrophobicContact CZ-CD1 3.91Å; F362-F484 HydrophobicContact CD1-CE1 4.14Å; F362-F484 AromaticContact CD1-CE2 3.86Å; F362-F484 HydrophobicContact CD1-CE2 3.86Å; F362-F484 AromaticContact CD1-CZ 3.53Å; F362-F484 HydrophobicContact CD1-CZ 3.53Å; F362-F484 AromaticContact CE1-CE2 3.9Å; F362-F484 HydrophobicContact CE1-CE2 3.9Å; F362-F484 AromaticContact CE1-CZ 3.96Å; F362-F484 HydrophobicContact CE1-CZ 3.96Å; F362-F484 HydrophobicContact CG-CZ 4.34Å
363T94.8Very high94.7Very high4 Ų425.1 Ų25.13%0.02514%0.135CC..EExtended strand (participates in β ladder)trans-112.4168.4-17564.40000112.2K21 T304 L361 R365 D366 L367K21-T363 PolarHBondContact NZ-OG1 3.12Å; T304-T363 CarbonylContact O-C 3.4Å; T304-T363 WeakPolarHBondContact O-CA 3.5Å; T304-T363 WeakPolarHBondContact O-CB 3.34Å; L361-T363 HydrophobicContact CD2-CG2 4.48Å; L361-T363 HydrophobicContact CG-CG2 4.33Å; T363-R365 PolarHBondContact O-N 3.3Å; T363-D366 WeakPolarHBondContact CB-OD2 3.04Å; T363-D366 PolarHBondContact N-OD2 3.03Å; T363-D366 WeakPolarHBondContact O-CB 3.41Å; T363-D366 PolarHBondContact O-N 3.22Å; T363-D366 VanDerWaalsContact O-N 3.13Å; T363-D366 VanDerWaalsContact OG1-CG 3.27Å; T363-D366 PolarHBondContact OG1-N 3.37Å; T363-D366 PolarHBondContact OG1-OD2 3.48Å; T363-L367 PolarHBondContact O-N 2.79Å; T363-L367 VanDerWaalsContact O-N 3.1Å
364L94.1Very high94.5Very high23 Ų2329.4 Ų29.412%0.1216%0.157CC..Hα-helixtrans-58.3-36.6173.7-179.462000111.7L302 T304 L306 D366 L367 T368 Q481L302-L364 HydrophobicContact CD2-CD2 4.48Å; L302-L364 HydrophobicContact CD2-CG 4.33Å; L302-L364 CarbonylContact O-C 3.4Å; L302-L364 WeakPolarHBondContact O-CB 3.27Å; L302-L364 PolarHBondContact O-N 2.58Å; T304-L364 PolarHBondContact O-N 2.74Å; L306-L364 HydrophobicContact CD1-CB 4.49Å; L306-L364 HydrophobicContact CD1-CD1 4.47Å; L306-L364 HydrophobicContact CD2-CB 4.49Å; L306-L364 HydrophobicContact CG-CB 4.43Å; L364-D366 VanDerWaalsContact C-N 3.32Å; L364-D366 PolarHBondContact O-N 2.91Å; L364-L367 PolarHBondContact O-N 2.9Å; L364-T368 HydrophobicContact CD1-CG2 3.94Å; L364-T368 HydrophobicContact CG-CG2 4.15Å; L364-T368 WeakPolarHBondContact O-CG2 3.34Å; L364-T368 PolarHBondContact O-N 3.49Å; L364-T368 PolarHBondContact O-OG1 3.38Å; L364-T368 VanDerWaalsContact O-OG1 3.09Å; L364-Q481 HydrophobicContact CD1-CG 4.09Å
365R93.3Very high94.4Very high25 Ų2529.7 Ų29.79%0.09416%0.158CC..Hα-helixtrans-58.6-44.7175-171.6178.9-61.6-84.35.5111.6E18 L302 D303 T363 L367 T368 T369E18-R365 IonicContact OE1-NH1 3.96Å; L302-R365 HydrophobicContact CB-CB 4Å; L302-R365 HydrophobicContact CB-CG 4.46Å; L302-R365 WeakPolarHBondContact O-CB 3.48Å; L302-R365 PolarHBondContact O-N 2.93Å; D303-R365 IonicContact OD1-CZ 2.81Å; D303-R365 IonicContact OD1-NE 3.19Å; D303-R365 PolarHBondContact OD1-NE 3.45Å; D303-R365 IonicContact OD1-NH2 4Å; D303-R365 PolarHBondContact OD1-NH2 2.87Å; D303-R365 IonicContact OD2-CZ 2.67Å; D303-R365 IonicContact OD2-NE 3.08Å; D303-R365 IonicContact OD2-NH2 2.73Å; D303-R365 PolarHBondContact OD2-NH2 3.29Å; T363-R365 PolarHBondContact O-N 3.3Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-T368 WeakPolarHBondContact CA-OG1 3.38Å; R365-T368 PolarHBondContact O-N 2.93Å; R365-T368 PolarHBondContact O-OG1 3.01Å; R365-T368 VanDerWaalsContact O-OG1 3.12Å; R365-T369 WeakPolarHBondContact O-CB 3.28Å; R365-T369 PolarHBondContact O-N 2.95Å; R365-T369 PolarHBondContact O-OG1 3.41Å
366D95.3Very high94.5Very high13 Ų1332.9 Ų32.97%0.0717%0.173CC..Hα-helixtrans-63.6-45.6179.3-55.9-49.7000109.7K21 F357 F362 T363 L364 T369 I370K21-D366 IonicContact NZ-OD1 3.22Å; K21-D366 IonicContact NZ-OD2 3.78Å; K21-D366 PolarHBondContact NZ-OD2 2.96Å; F357-D366 HydrophobicContact CD1-CB 3.84Å; F357-D366 HydrophobicContact CE1-CB 3.79Å; F362-D366 HydrophobicContact CD2-CB 3.65Å; F362-D366 HydrophobicContact CE2-CB 3.4Å; F362-D366 VanDerWaalsContact CE2-CB 3.4Å; F362-D366 HydrophobicContact CG-CB 4.35Å; F362-D366 HydrophobicContact CZ-CB 3.93Å; T363-D366 WeakPolarHBondContact CB-OD2 3.04Å; T363-D366 PolarHBondContact N-OD2 3.03Å; T363-D366 WeakPolarHBondContact O-CB 3.41Å; T363-D366 PolarHBondContact O-N 3.22Å; T363-D366 VanDerWaalsContact O-N 3.13Å; T363-D366 VanDerWaalsContact OG1-CG 3.27Å; T363-D366 PolarHBondContact OG1-N 3.37Å; T363-D366 PolarHBondContact OG1-OD2 3.48Å; L364-D366 VanDerWaalsContact C-N 3.32Å; L364-D366 PolarHBondContact O-N 2.91Å; D366-T369 PolarHBondContact O-N 3.17Å; D366-I370 WeakPolarHBondContact O-CG1 3.13Å; D366-I370 PolarHBondContact O-N 2.93Å
367L96.2Very high94.6Very high5 Ų530.5 Ų30.53%0.02616%0.161CC..Hα-helixtrans-62.1-44.9176.6-175.759.8000112.9L306 F362 T363 L364 R365 T369 I370 L371 L477 V480 Q481L306-L367 HydrophobicContact CD1-CB 3.89Å; L306-L367 HydrophobicContact CD1-CD2 3.62Å; L306-L367 HydrophobicContact CD1-CG 4.41Å; F362-L367 HydrophobicContact CE1-CB 3.72Å; F362-L367 HydrophobicContact CE1-CD1 4.16Å; F362-L367 HydrophobicContact CE1-CG 4.44Å; F362-L367 HydrophobicContact CZ-CB 4.01Å; F362-L367 HydrophobicContact CZ-CD1 4.36Å; T363-L367 PolarHBondContact O-N 2.79Å; T363-L367 VanDerWaalsContact O-N 3.1Å; L364-L367 PolarHBondContact O-N 2.9Å; R365-L367 VanDerWaalsContact C-N 3.33Å; L367-T369 VanDerWaalsContact C-N 3.28Å; L367-T369 PolarHBondContact O-N 3.09Å; L367-I370 PolarHBondContact O-N 2.92Å; L367-L371 HydrophobicContact CD1-CD1 3.99Å; L367-L371 PolarHBondContact O-N 2.88Å; L367-L477 HydrophobicContact CD1-CD1 4.41Å; L367-L477 HydrophobicContact CD2-CD1 3.77Å; L367-L477 HydrophobicContact CG-CD1 3.59Å; L367-V480 HydrophobicContact CD1-CB 4.07Å; L367-V480 HydrophobicContact CD1-CG1 3.62Å; L367-V480 HydrophobicContact CD2-CB 4.2Å; L367-V480 HydrophobicContact CD2-CG1 4.08Å; L367-Q481 HydrophobicContact CD2-CG 3.49Å; L367-Q481 VanDerWaalsContact CD2-CG 3.49Å
368T94.4Very high94.8Very high4 Ų430.3 Ų30.33%0.02516%0.16CC..Hα-helixtrans-73.5-21.3-179.857.20000112.9Y57 L302 L364 R365 L371 P372 L477Y57-T368 HydrophobicContact CD2-CG2 3.6Å; Y57-T368 HydrophobicContact CE2-CG2 3.84Å; Y57-T368 HydrophobicContact CG-CG2 4.08Å; L302-T368 HydrophobicContact CD2-CG2 4.15Å; L364-T368 HydrophobicContact CD1-CG2 3.94Å; L364-T368 HydrophobicContact CG-CG2 4.15Å; L364-T368 WeakPolarHBondContact O-CG2 3.34Å; L364-T368 PolarHBondContact O-N 3.49Å; L364-T368 PolarHBondContact O-OG1 3.38Å; L364-T368 VanDerWaalsContact O-OG1 3.09Å; R365-T368 WeakPolarHBondContact CA-OG1 3.38Å; R365-T368 PolarHBondContact O-N 2.93Å; R365-T368 PolarHBondContact O-OG1 3.01Å; R365-T368 VanDerWaalsContact O-OG1 3.12Å; T368-L371 CarbonylContact O-C 3.57Å; T368-P372 WeakPolarHBondContact O-CA 3.41Å; T368-L477 HydrophobicContact CG2-CD1 4.26Å; T368-L477 HydrophobicContact CG2-CD2 4.26Å
369T94.8Very high94.9Very high9 Ų925.4 Ų25.46%0.05514%0.139CC..Hα-helixtrans-72.6-40.5169.5-52.90000110.1R352 F357 R365 D366 L367R352-T369 CarbonylContact C-O 3.51Å; F357-T369 HydrophobicContact CZ-CG2 4.01Å; R365-T369 WeakPolarHBondContact O-CB 3.28Å; R365-T369 PolarHBondContact O-N 2.95Å; R365-T369 PolarHBondContact O-OG1 3.41Å; D366-T369 PolarHBondContact O-N 3.17Å; L367-T369 VanDerWaalsContact C-N 3.28Å; L367-T369 PolarHBondContact O-N 3.09Å
370I96.7Very high95.1Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-72.5-42.4178.5-66172000111.8V315 I327 L351 R352 F357 F362 D366 L367 P372V315-I370 HydrophobicContact CG1-CG1 4.3Å; V315-I370 HydrophobicContact CG1-CG2 4.11Å; V315-I370 HydrophobicContact CG2-CD1 3.97Å; V315-I370 HydrophobicContact CG2-CG1 4.16Å; I327-I370 HydrophobicContact CG1-CG2 4.34Å; L351-I370 WeakPolarHBondContact CA-O 3.33Å; L351-I370 HydrophobicContact CD2-CG2 4.04Å; R352-I370 PolarHBondContact N-O 3.14Å; R352-I370 WeakPolarHBondContact O-CA 3.39Å; F357-I370 HydrophobicContact CD1-CD1 4.26Å; F357-I370 HydrophobicContact CD2-CD1 3.88Å; F357-I370 HydrophobicContact CD2-CG1 4.09Å; F357-I370 HydrophobicContact CE1-CD1 4.28Å; F357-I370 HydrophobicContact CE1-CG1 4.23Å; F357-I370 HydrophobicContact CE2-CD1 3.91Å; F357-I370 HydrophobicContact CE2-CG1 3.59Å; F357-I370 HydrophobicContact CG-CD1 4.05Å; F357-I370 HydrophobicContact CZ-CD1 4.11Å; F357-I370 HydrophobicContact CZ-CG1 3.66Å; F362-I370 HydrophobicContact CE2-CD1 3.89Å; F362-I370 HydrophobicContact CZ-CD1 3.91Å; D366-I370 WeakPolarHBondContact O-CG1 3.13Å; D366-I370 PolarHBondContact O-N 2.93Å; L367-I370 PolarHBondContact O-N 2.92Å; I370-P372 VanDerWaalsContact C-CD 3.43Å; I370-P372 WeakPolarHBondContact O-CD 3.34Å
371L96.8Very high95.2Very high2 Ų224.2 Ų24.21%0.0112%0.118CC..  trans-119.673.6180-64.1177.5000109.5I331 T350 L351 L367 T368 Y373 L476 L477 V480I331-L371 HydrophobicContact CD1-CD1 4.29Å; I331-L371 HydrophobicContact CD1-CD2 4.19Å; I331-L371 HydrophobicContact CD1-CG 4.44Å; T350-L371 HydrophobicContact CG2-CD2 3.63Å; L351-L371 HydrophobicContact CD2-CD2 3.68Å; L367-L371 HydrophobicContact CD1-CD1 3.99Å; L367-L371 PolarHBondContact O-N 2.88Å; T368-L371 CarbonylContact O-C 3.57Å; L371-Y373 VanDerWaalsContact C-N 3.27Å; L371-Y373 PolarHBondContact O-N 2.98Å; L371-L476 HydrophobicContact CD1-CD2 4.39Å; L371-L476 HydrophobicContact CD1-CG 4.17Å; L371-L476 HydrophobicContact CD2-CD2 4.07Å; L371-L477 HydrophobicContact CB-CD1 4.18Å; L371-V480 HydrophobicContact CD1-CG2 4.04Å
372P94.8Very high95.4Very high2 Ų219.1 Ų19.11%0.0139%0.091CC..  trans-70.5-28.2-179.127.7-32.6000111.7P55 N60 R352 T368 I370P55-P372 HydrophobicContact CB-CB 4.25Å; P55-P372 HydrophobicContact CB-CG 3.9Å; P55-P372 HydrophobicContact CG-CG 4.24Å; N60-P372 PolarHBondContact ND2-O 2.98Å; R352-P372 HydrophobicContact CB-CG 3.91Å; R352-P372 HydrophobicContact CG-CG 3.58Å; T368-P372 WeakPolarHBondContact O-CA 3.41Å; I370-P372 VanDerWaalsContact C-CD 3.43Å; I370-P372 WeakPolarHBondContact O-CD 3.34Å
373Y92.3Very high95.6Very high44 Ų4420.6 Ų20.617%0.17310%0.101CC..SBendtrans-75.3149.1-179.7-53.2-72.7000112.8P55 H84 R352 L371 D375P55-Y373 HydrophobicContact CB-CD1 4.32Å; P55-Y373 HydrophobicContact CB-CE1 3.53Å; P55-Y373 HydrophobicContact CB-CE2 4.29Å; P55-Y373 HydrophobicContact CG-CE1 4.32Å; P55-Y373 HydrophobicContact CG-CE2 4.45Å; P55-Y373 WeakPolarHBondContact CG-OH 3.4Å; H84-Y373 PolarHBondContact CE1-OH 2.86Å; H84-Y373 VanDerWaalsContact CE1-OH 3.25Å; R352-Y373 HydrophobicContact CG-CE2 4.17Å; L371-Y373 VanDerWaalsContact C-N 3.27Å; L371-Y373 PolarHBondContact O-N 2.98Å; Y373-D375 PolarHBondContact O-N 3.01Å; Y373-D375 VanDerWaalsContact O-N 3.14Å
374L88.8Confident95.8Very high92 Ų9220.4 Ų20.448%0.48210%0.1SC..  trans-87.654.1168.8-60.9-179.6000110.6K376 L477L374-K376 PolarHBondContact O-N 2.95Å; L374-K376 VanDerWaalsContact O-N 3.16Å; L374-L477 HydrophobicContact CD2-CD2 4.06Å
375D91.3Very high96Very high23 Ų2322.6 Ų22.612%0.12312%0.116CC..PPolyproline II helixtrans-60.4118.5-173.4-80.9-41.6000111.8T350 Y373 T448 L476T350-D375 VanDerWaalsContact CG2-OD2 3.28Å; T350-D375 WeakPolarHBondContact CG2-OD2 3.42Å; T350-D375 PolarHBondContact OG1-OD2 3.28Å; Y373-D375 PolarHBondContact O-N 3.01Å; Y373-D375 VanDerWaalsContact O-N 3.14Å; D375-T448 HydrophobicContact CB-CG2 4.18Å; D375-L476 HydrophobicContact CB-CB 4.16Å; D375-L476 HydrophobicContact CB-CD2 4.36Å; D375-L476 PolarHBondContact O-N 2.75Å
376K95.9Very high96.2Very high98 Ų9823.7 Ų23.743%0.42612%0.123SC..BIsolated β-bridgetrans-86.2134.8173.1-58.9-171.2-174.6177.40109.6L374 T448 N449 D470L374-K376 PolarHBondContact O-N 2.95Å; L374-K376 VanDerWaalsContact O-N 3.16Å; K376-T448 CarbonylContact O-C 3.49Å; K376-T448 WeakPolarHBondContact O-CA 3.46Å; K376-N449 HydrophobicContact CB-CB 4.45Å; K376-N449 PolarHBondContact O-N 3.08Å; K376-D470 HydrophobicContact CB-CB 3.87Å; K376-D470 HydrophobicContact CD-CB 3.77Å; K376-D470 WeakPolarHBondContact CD-OD2 3.43Å; K376-D470 WeakPolarHBondContact CE-OD2 3.34Å; K376-D470 HydrophobicContact CG-CB 4.44Å; K376-D470 IonicContact NZ-OD2 3.2Å; K376-D470 PolarHBondContact NZ-OD2 3.43Å
377L97.9Very high96.4Very high0 Ų023.1 Ų23.10%012%0.12CC..EExtended strand (participates in β ladder)trans-94.5151.3178.6-62.6172.7000110.3V335 I346 T447 T448 D470 C473 L476 L479V335-L377 HydrophobicContact CG1-CD1 4.09Å; V335-L377 HydrophobicContact CG2-CD1 3.99Å; I346-L377 HydrophobicContact CD1-CD2 4.19Å; L377-T447 WeakPolarHBondContact CA-O 3.38Å; L377-T448 HydrophobicContact CD2-CG2 4.26Å; L377-D470 WeakPolarHBondContact O-CA 3.47Å; L377-C473 HydrophobicContact CB-CB 4.02Å; L377-C473 WeakPolarHBondContact O-CB 3.34Å; L377-L476 HydrophobicContact CD1-CD1 4.23Å; L377-L476 HydrophobicContact CD2-CD1 4.43Å; L377-L476 HydrophobicContact CG-CB 4.45Å; L377-L479 HydrophobicContact CD1-CD2 4.14Å
378S97.8Very high96.5Very high2 Ų223.8 Ų23.81%0.01412%0.123CC..EExtended strand (participates in β ladder)trans-142.4153.8172.4-76.40000109.8C446 T447 N449 L468S378-C446 CarbonylContact O-C 3.5Å; S378-C446 VanDerWaalsContact O-CA 3.31Å; S378-C446 WeakPolarHBondContact O-CA 3.31Å; S378-C446 PolarHBondContact O-SG 2.99Å; S378-T447 PolarHBondContact N-O 3.29Å; S378-T447 PolarHBondContact O-N 3.23Å; S378-N449 PolarHBondContact OG-OD1 3.24Å; S378-L468 WeakPolarHBondContact CA-O 3.08Å
379V98.3Very high96.7Very high0 Ų029.1 Ų29.10%015%0.148CC..EExtended strand (participates in β ladder)trans-114.1124174.6-175.60000109.9V339 A341 R444 L445 C446 L467 L468V339-V379 HydrophobicContact CB-CG2 3.97Å; V339-V379 HydrophobicContact CG1-CG2 4.33Å; V339-V379 HydrophobicContact CG2-CG2 4.2Å; A341-V379 HydrophobicContact CB-CG1 4.45Å; V379-R444 HydrophobicContact CG1-CB 3.99Å; V379-L445 CarbonylContact C-O 3.55Å; V379-L445 WeakPolarHBondContact CA-O 3.33Å; V379-C446 HydrophobicContact CG2-CB 4.11Å; V379-L467 HydrophobicContact CG1-CB 4.45Å; V379-L467 HydrophobicContact CG1-CD1 4.43Å; V379-L467 WeakPolarHBondContact O-CA 3.48Å; V379-L467 WeakPolarHBondContact O-CB 3.37Å; V379-L467 PolarHBondContact O-N 3.45Å; V379-L468 HydrophobicContact CB-CB 3.96Å; V379-L468 HydrophobicContact CB-CD1 4.23Å; V379-L468 HydrophobicContact CB-CG 4.23Å; V379-L468 HydrophobicContact CG2-CB 4.18Å; V379-L468 HydrophobicContact CG2-CD1 3.93Å; V379-L468 HydrophobicContact CG2-CG 4.42Å; V379-L468 PolarHBondContact N-O 3.21Å; V379-L468 PolarHBondContact O-N 3.05Å
380I98.5Very high96.8Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-111.3157.6176.856.2171.5000111.9R444 L445 L452 F461 C464 P465 L466I380-R444 WeakPolarHBondContact O-CA 3.32Å; I380-L445 HydrophobicContact CD1-CD2 4.26Å; I380-L445 HydrophobicContact CG1-CB 4.16Å; I380-L445 HydrophobicContact CG1-CD2 4.47Å; I380-L445 PolarHBondContact N-O 3.38Å; I380-L445 PolarHBondContact O-N 2.86Å; I380-L452 HydrophobicContact CG2-CD1 3.42Å; I380-L452 VanDerWaalsContact CG2-CD1 3.42Å; I380-F461 HydrophobicContact CD1-CB 4.34Å; I380-F461 HydrophobicContact CD1-CD1 3.71Å; I380-F461 HydrophobicContact CD1-CE1 4.09Å; I380-F461 HydrophobicContact CD1-CG 4.05Å; I380-C464 HydrophobicContact CB-CB 3.94Å; I380-C464 HydrophobicContact CD1-CB 3.71Å; I380-C464 HydrophobicContact CG1-CB 4.3Å; I380-C464 HydrophobicContact CG2-CB 4.36Å; I380-P465 CarbonylContact C-O 3.55Å; I380-P465 WeakPolarHBondContact CA-O 3.37Å; I380-L466 HydrophobicContact CG2-CD1 4.04Å
381E98.6Very high96.9Very high50 Ų5028.9 Ų28.923%0.23415%0.146CC..EExtended strand (participates in β ladder)trans-88.1123.5166.5-165.8177.279.700109.7K442 Y443 C464 P465 L467E381-K442 VanDerWaalsContact CD-CD 3.5Å; E381-K442 HydrophobicContact CG-CB 3.93Å; E381-K442 HydrophobicContact CG-CD 4.17Å; E381-K442 HydrophobicContact CG-CG 4.14Å; E381-K442 WeakPolarHBondContact OE1-CD 3.41Å; E381-K442 WeakPolarHBondContact OE1-CE 3.42Å; E381-K442 IonicContact OE1-NZ 3.91Å; E381-K442 PolarHBondContact OE1-NZ 3.05Å; E381-K442 IonicContact OE2-NZ 3.19Å; E381-Y443 WeakPolarHBondContact CA-O 3.46Å; E381-C464 WeakPolarHBondContact O-CB 3.28Å; E381-P465 HydrophobicContact CB-CB 4.17Å; E381-P465 HydrophobicContact CB-CG 4.35Å; E381-P465 PolarHBondContact N-O 2.86Å; E381-P465 WeakPolarHBondContact O-CD 3.24Å; E381-L467 HydrophobicContact CB-CD1 3.82Å; E381-L467 HydrophobicContact CB-CD2 4.1Å; E381-L467 HydrophobicContact CB-CG 3.98Å; E381-L467 HydrophobicContact CG-CD1 4.48Å
382I98.6Very high97Very high1 Ų129.6 Ų29.61%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-132.4139-179.8-164.5166.5000110.9Q386 L387 V390 K442 Y443 L445 F461I382-Q386 HydrophobicContact CD1-CB 3.92Å; I382-Q386 HydrophobicContact CG1-CB 3.45Å; I382-Q386 VanDerWaalsContact CG1-CB 3.45Å; I382-L387 HydrophobicContact CD1-CB 4.21Å; I382-L387 HydrophobicContact CD1-CD1 4.4Å; I382-L387 HydrophobicContact CG1-CB 4.46Å; I382-V390 HydrophobicContact CD1-CG2 3.96Å; I382-K442 CarbonylContact O-C 3.48Å; I382-K442 WeakPolarHBondContact O-CA 3.34Å; I382-Y443 PolarHBondContact N-O 2.78Å; I382-Y443 PolarHBondContact O-N 3.38Å; I382-L445 HydrophobicContact CD1-CD2 4.16Å; I382-L445 HydrophobicContact CG2-CB 3.73Å; I382-L445 HydrophobicContact CG2-CD2 4.35Å; I382-F461 HydrophobicContact CD1-CE1 4.14Å
383T98.6Very high97.2Very high36 Ų3630.9 Ų30.922%0.22116%0.156CC..EExtended strand (participates in β ladder)trans-78156.7172.161.40000111.3S385 Q386 L387 Q441 K442T383-S385 PolarHBondContact O-N 3.14Å; T383-Q386 PolarHBondContact O-N 2.77Å; T383-Q386 VanDerWaalsContact O-N 3.16Å; T383-Q386 WeakPolarHBondContact OG1-CB 3.37Å; T383-Q386 VanDerWaalsContact OG1-CG 3.28Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.48Å; T383-Q386 PolarHBondContact OG1-N 3.01Å; T383-Q386 PolarHBondContact OG1-OE1 2.83Å; T383-L387 PolarHBondContact O-N 2.83Å; T383-Q441 CarbonylContact C-O 3.22Å; T383-Q441 VanDerWaalsContact CA-O 3.29Å; T383-Q441 WeakPolarHBondContact CA-O 3.46Å; T383-K442 HydrophobicContact CG2-CG 4.3Å
384G98.5Very high97.4Very high0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-55.4-37.6173.900000112.9L387 I388 M439 Q441G384-L387 PolarHBondContact O-N 3.14Å; G384-I388 WeakPolarHBondContact O-CG1 3.27Å; G384-I388 PolarHBondContact O-N 3.26Å; G384-I388 VanDerWaalsContact O-N 3.15Å; G384-M439 PolarHBondContact N-O 2.95Å; G384-Q441 PolarHBondContact N-O 3.41Å
385S98.3Very high97.9Very high68 Ų6824.6 Ų24.648%0.47613%0.126SC..Hα-helixtrans-62.4-47.9175.5-169.60000112.5T383 L387 I388 E389 M439T383-S385 PolarHBondContact O-N 3.14Å; S385-L387 VanDerWaalsContact C-N 3.3Å; S385-L387 PolarHBondContact O-N 3.36Å; S385-I388 PolarHBondContact O-N 3.48Å; S385-E389 PolarHBondContact O-N 3.07Å; S385-M439 PolarHBondContact N-O 3.01Å
386Q98.6Very high98.1Very high48 Ų4824.2 Ų24.222%0.22413%0.125CC..Hα-helixtrans-63.9-37177.7-75.6167.5-47.400111.4I382 T383 I388 E389 V390 I460I382-Q386 HydrophobicContact CD1-CB 3.92Å; I382-Q386 HydrophobicContact CG1-CB 3.45Å; I382-Q386 VanDerWaalsContact CG1-CB 3.45Å; T383-Q386 PolarHBondContact O-N 2.77Å; T383-Q386 VanDerWaalsContact O-N 3.16Å; T383-Q386 WeakPolarHBondContact OG1-CB 3.37Å; T383-Q386 VanDerWaalsContact OG1-CG 3.28Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.48Å; T383-Q386 PolarHBondContact OG1-N 3.01Å; T383-Q386 PolarHBondContact OG1-OE1 2.83Å; Q386-I388 VanDerWaalsContact C-N 3.34Å; Q386-I388 PolarHBondContact O-N 3.09Å; Q386-E389 PolarHBondContact O-N 2.99Å; Q386-V390 WeakPolarHBondContact O-CB 3.12Å; Q386-V390 VanDerWaalsContact O-CG2 3.27Å; Q386-V390 WeakPolarHBondContact O-CG2 3.37Å; Q386-V390 PolarHBondContact O-N 2.78Å; Q386-I460 HydrophobicContact CB-CG2 3.99Å; Q386-I460 HydrophobicContact CG-CG2 3.99Å
387L98.5Very high98Very high2 Ų221.7 Ų21.71%0.0112%0.115CC..Hα-helixtrans-64-39.4177.9-17763.6000112I382 T383 G384 S385 E389 V390 L391 M411 I432 I437 L445I382-L387 HydrophobicContact CD1-CB 4.21Å; I382-L387 HydrophobicContact CD1-CD1 4.4Å; I382-L387 HydrophobicContact CG1-CB 4.46Å; T383-L387 PolarHBondContact O-N 2.83Å; G384-L387 PolarHBondContact O-N 3.14Å; S385-L387 VanDerWaalsContact C-N 3.3Å; S385-L387 PolarHBondContact O-N 3.36Å; L387-E389 VanDerWaalsContact C-N 3.34Å; L387-V390 WeakPolarHBondContact O-CB 3.36Å; L387-V390 PolarHBondContact O-N 2.98Å; L387-L391 WeakPolarHBondContact O-CG 3.3Å; L387-L391 PolarHBondContact O-N 3.31Å; L387-M411 HydrophobicContact CD1-CE 4.01Å; L387-M411 HydrophobicContact CD2-CE 4.19Å; L387-I432 HydrophobicContact CD2-CD1 3.5Å; L387-I432 VanDerWaalsContact CD2-CD1 3.5Å; L387-I432 HydrophobicContact CD2-CG1 4.16Å; L387-I437 HydrophobicContact CB-CD1 4.28Å; L387-I437 HydrophobicContact CD2-CD1 3.86Å; L387-I437 HydrophobicContact CG-CD1 4.38Å; L387-L445 HydrophobicContact CD1-CD1 4.41Å; L387-L445 HydrophobicContact CD1-CD2 4.27Å
388I98.5Very high97.8Very high19 Ų1923.7 Ų23.710%0.09712%0.123CC..Hα-helixtrans-62.1-44.2174.3-66.1-58.7000110.8G384 S385 Q386 V390 L391 E392 V425 V427 I437 M439G384-I388 WeakPolarHBondContact O-CG1 3.27Å; G384-I388 PolarHBondContact O-N 3.26Å; G384-I388 VanDerWaalsContact O-N 3.15Å; S385-I388 PolarHBondContact O-N 3.48Å; Q386-I388 VanDerWaalsContact C-N 3.34Å; Q386-I388 PolarHBondContact O-N 3.09Å; I388-V390 VanDerWaalsContact C-N 3.3Å; I388-V390 PolarHBondContact O-N 2.85Å; I388-L391 HydrophobicContact CD1-CD1 4.41Å; I388-L391 WeakPolarHBondContact O-CB 3.4Å; I388-L391 PolarHBondContact O-N 2.74Å; I388-L391 VanDerWaalsContact O-N 3.11Å; I388-E392 HydrophobicContact CG2-CG 4.48Å; I388-E392 WeakPolarHBondContact O-CG 3.4Å; I388-E392 PolarHBondContact O-N 3.28Å; I388-V425 HydrophobicContact CD1-CG1 4.05Å; I388-V427 HydrophobicContact CD1-CG2 4.15Å; I388-V427 HydrophobicContact CG1-CG2 4.28Å; I388-V427 HydrophobicContact CG2-CG2 4.01Å; I388-I437 HydrophobicContact CD1-CD1 4.02Å; I388-I437 HydrophobicContact CD1-CG2 4.42Å; I388-I437 HydrophobicContact CG1-CD1 4.19Å; I388-M439 HydrophobicContact CG1-CE 4.03Å; I388-M439 HydrophobicContact CG1-SD 4.17Å
389E98.3Very high97.5Very high115 Ų11528.2 Ų28.254%0.53715%0.152SC..Hα-helixtrans-63.7-36.7178.6-162.9-175.9158.900112.1S385 Q386 L387 E392 N393 I460S385-E389 PolarHBondContact O-N 3.07Å; Q386-E389 PolarHBondContact O-N 2.99Å; L387-E389 VanDerWaalsContact C-N 3.34Å; E389-E392 WeakPolarHBondContact O-CB 3.49Å; E389-E392 PolarHBondContact O-N 2.86Å; E389-N393 PolarHBondContact O-N 2.67Å; E389-I460 HydrophobicContact CB-CD1 3.49Å; E389-I460 VanDerWaalsContact CB-CD1 3.49Å; E389-I460 HydrophobicContact CG-CD1 3.37Å; E389-I460 WeakPolarHBondContact OE1-CD1 3.43Å
390V98.4Very high97.2Very high1 Ų130 Ų301%0.00616%0.16CC..Hα-helixtrans-62.5-42.8171163.30000111.8L345 I382 Q386 L387 I388 E392 N393 S394 Y458 I460 F461L345-V390 HydrophobicContact CD1-CG1 3.73Å; I382-V390 HydrophobicContact CD1-CG2 3.96Å; Q386-V390 WeakPolarHBondContact O-CB 3.12Å; Q386-V390 VanDerWaalsContact O-CG2 3.27Å; Q386-V390 WeakPolarHBondContact O-CG2 3.37Å; Q386-V390 PolarHBondContact O-N 2.78Å; L387-V390 WeakPolarHBondContact O-CB 3.36Å; L387-V390 PolarHBondContact O-N 2.98Å; I388-V390 VanDerWaalsContact C-N 3.3Å; I388-V390 PolarHBondContact O-N 2.85Å; V390-E392 VanDerWaalsContact C-N 3.35Å; V390-N393 PolarHBondContact O-N 2.61Å; V390-S394 PolarHBondContact O-N 2.97Å; V390-Y458 HydrophobicContact CG1-CD1 3.83Å; V390-Y458 HydrophobicContact CG1-CE1 3.7Å; V390-I460 HydrophobicContact CG2-CB 4.15Å; V390-I460 HydrophobicContact CG2-CD1 4.06Å; V390-I460 HydrophobicContact CG2-CG2 4.3Å; V390-F461 HydrophobicContact CB-CE1 4.09Å; V390-F461 HydrophobicContact CG1-CE1 3.54Å; V390-F461 HydrophobicContact CG1-CZ 3.56Å; V390-F461 HydrophobicContact CG2-CD1 3.83Å; V390-F461 HydrophobicContact CG2-CE1 3.38Å; V390-F461 HydrophobicContact CG2-CZ 4.24Å
391L98.7Very high96.9Very high4 Ų430.5 Ų30.52%0.02116%0.164CC..Hα-helixtrans-66.1-37.8175.5-69.7174.2000111.4L345 L387 I388 S394 L395 M411 F413 V425L345-L391 HydrophobicContact CD1-CD2 3.99Å; L387-L391 WeakPolarHBondContact O-CG 3.3Å; L387-L391 PolarHBondContact O-N 3.31Å; I388-L391 HydrophobicContact CD1-CD1 4.41Å; I388-L391 WeakPolarHBondContact O-CB 3.4Å; I388-L391 PolarHBondContact O-N 2.74Å; I388-L391 VanDerWaalsContact O-N 3.11Å; L391-S394 WeakPolarHBondContact CA-OG 3.48Å; L391-S394 PolarHBondContact O-N 3.09Å; L391-S394 PolarHBondContact O-OG 3.21Å; L391-L395 WeakPolarHBondContact O-CG 3.16Å; L391-L395 PolarHBondContact O-N 3.41Å; L391-M411 HydrophobicContact CD2-SD 4.37Å; L391-F413 HydrophobicContact CD1-CB 4.27Å; L391-F413 HydrophobicContact CD1-CD1 4.1Å; L391-F413 HydrophobicContact CD1-CG 4.1Å; L391-F413 HydrophobicContact CD2-CD1 3.91Å; L391-F413 HydrophobicContact CD2-CE1 3.68Å; L391-F413 HydrophobicContact CD2-CZ 4.18Å; L391-V425 HydrophobicContact CB-CG2 3.71Å
392E98.4Very high96.6Very high16 Ų1628.6 Ų28.68%0.07516%0.156CC..Hα-helixtrans-61.1-42.5172.3-71.2-66.917300112I388 E389 V390 L395 S396 G422 T423 R424 V425I388-E392 HydrophobicContact CG2-CG 4.48Å; I388-E392 WeakPolarHBondContact O-CG 3.4Å; I388-E392 PolarHBondContact O-N 3.28Å; E389-E392 WeakPolarHBondContact O-CB 3.49Å; E389-E392 PolarHBondContact O-N 2.86Å; V390-E392 VanDerWaalsContact C-N 3.35Å; E392-L395 PolarHBondContact O-N 3.17Å; E392-S396 PolarHBondContact O-N 3.46Å; E392-G422 WeakPolarHBondContact OE2-CA 3.37Å; E392-T423 VanDerWaalsContact CD-N 3.34Å; E392-T423 VanDerWaalsContact OE1-CA 3.25Å; E392-T423 WeakPolarHBondContact OE1-CA 3.28Å; E392-T423 PolarHBondContact OE1-N 3.29Å; E392-T423 PolarHBondContact OE2-N 3.31Å; E392-R424 PolarHBondContact OE1-N 3.4Å; E392-R424 PolarHBondContact OE2-N 3.41Å; E392-V425 HydrophobicContact CG-CB 4.45Å; E392-V425 HydrophobicContact CG-CG2 3.94Å; E392-V425 WeakPolarHBondContact OE1-CB 3.34Å; E392-V425 WeakPolarHBondContact OE1-CG2 3.45Å; E392-V425 PolarHBondContact OE1-N 2.73Å
393N98Very high96.5Very high30 Ų3028.9 Ų28.916%0.1616%0.159CC..Hα-helixtrans-60.5-45.4173.1179.263000111.6E389 V390 L395 S396 R404 D456 G457 Y458E389-N393 PolarHBondContact O-N 2.67Å; V390-N393 PolarHBondContact O-N 2.61Å; N393-L395 PolarHBondContact O-N 2.92Å; N393-S396 VanDerWaalsContact O-CB 3.3Å; N393-S396 WeakPolarHBondContact O-CB 3.46Å; N393-S396 PolarHBondContact O-N 2.87Å; N393-S396 PolarHBondContact O-OG 3.09Å; N393-R404 WeakPolarHBondContact O-CD 3.25Å; N393-D456 PolarHBondContact ND2-O 3.43Å; N393-G457 VanDerWaalsContact CG-O 3.3Å; N393-G457 PolarHBondContact ND2-O 3.06Å; N393-G457 PolarHBondContact OD1-O 3.11Å; N393-Y458 VanDerWaalsContact ND2-CD2 3.34Å; N393-Y458 WeakPolarHBondContact ND2-CD2 3.01Å; N393-Y458 PolarHBondContact ND2-N 3.32Å
394S97.9Very high96.4Very high2 Ų227.5 Ų27.51%0.01415%0.149CC..Hα-helixtrans-59.9-21.6-179.479.60000113.7V390 L391 R404 F405 P406 Y458V390-S394 PolarHBondContact O-N 2.97Å; L391-S394 WeakPolarHBondContact CA-OG 3.48Å; L391-S394 PolarHBondContact O-N 3.09Å; L391-S394 PolarHBondContact O-OG 3.21Å; S394-R404 WeakPolarHBondContact CA-O 3.5Å; S394-R404 WeakPolarHBondContact CB-O 3.48Å; S394-F405 WeakPolarHBondContact O-CA 3.14Å; S394-P406 WeakPolarHBondContact OG-CD 3.29Å; S394-P406 VanDerWaalsContact OG-CG 3.29Å; S394-P406 WeakPolarHBondContact OG-CG 3.38Å; S394-Y458 WeakPolarHBondContact CB-OH 3.41Å
395L97.7Very high96.3Very high1 Ų127.8 Ų27.81%0.00515%0.151CC..THydrogen-bonded Turntrans-104.6-3178.4-61.5169.2000113.1L391 E392 N393 E397 Y398 F405 F413 F415 R424 V425L391-L395 WeakPolarHBondContact O-CG 3.16Å; L391-L395 PolarHBondContact O-N 3.41Å; E392-L395 PolarHBondContact O-N 3.17Å; N393-L395 PolarHBondContact O-N 2.92Å; L395-E397 VanDerWaalsContact C-N 3.32Å; L395-E397 PolarHBondContact O-N 3.12Å; L395-Y398 VanDerWaalsContact O-CB 3.26Å; L395-Y398 WeakPolarHBondContact O-CB 3.35Å; L395-Y398 PolarHBondContact O-N 2.82Å; L395-Y398 VanDerWaalsContact O-N 3.12Å; L395-F405 HydrophobicContact CD2-CD2 4.32Å; L395-F405 HydrophobicContact CD2-CE2 4.02Å; L395-F413 HydrophobicContact CD1-CE2 3.96Å; L395-F413 HydrophobicContact CD2-CE2 4.5Å; L395-F415 HydrophobicContact CD1-CB 3.48Å; L395-F415 VanDerWaalsContact CD1-CB 3.48Å; L395-F415 HydrophobicContact CD1-CD1 4.48Å; L395-F415 HydrophobicContact CD1-CD2 4.02Å; L395-F415 HydrophobicContact CD1-CG 3.76Å; L395-F415 HydrophobicContact CD2-CD1 4.15Å; L395-F415 HydrophobicContact CD2-CD2 3.85Å; L395-F415 HydrophobicContact CD2-CE1 4.28Å; L395-F415 HydrophobicContact CD2-CE2 3.99Å; L395-F415 HydrophobicContact CD2-CG 3.93Å; L395-F415 HydrophobicContact CD2-CZ 4.2Å; L395-F415 HydrophobicContact CG-CD2 4.49Å; L395-F415 HydrophobicContact CG-CG 4.49Å; L395-R424 HydrophobicContact CD1-CB 4.18Å; L395-R424 PolarHBondContact O-NH1 2.77Å; L395-V425 HydrophobicContact CD1-CG2 3.8Å
396S96.4Very high96.3Very high15 Ų1524.6 Ų24.611%0.10513%0.128CC..THydrogen-bonded Turntrans-60-39.3-168.454.20000113.5E392 N393 R404 V421 R424E392-S396 PolarHBondContact O-N 3.46Å; N393-S396 VanDerWaalsContact O-CB 3.3Å; N393-S396 WeakPolarHBondContact O-CB 3.46Å; N393-S396 PolarHBondContact O-N 2.87Å; N393-S396 PolarHBondContact O-OG 3.09Å; S396-R404 WeakPolarHBondContact OG-CD 3.3Å; S396-R404 PolarHBondContact OG-NH1 3.46Å; S396-V421 WeakPolarHBondContact O-CG2 3.48Å; S396-R424 PolarHBondContact O-NH1 3.03Å
397E93.8Very high96.3Very high46 Ų4622.6 Ų22.622%0.21512%0.119CC..THydrogen-bonded Turntrans-88.7-4-179.1-65.8-56.7128.400113.6L395 K400 E402L395-E397 VanDerWaalsContact C-N 3.32Å; L395-E397 PolarHBondContact O-N 3.12Å; E397-K400 HydrophobicContact CB-CB 4.35Å; E397-K400 HydrophobicContact CB-CD 4.34Å; E397-K400 WeakPolarHBondContact O-CA 3.42Å; E397-K400 WeakPolarHBondContact O-CB 3.44Å; E397-K400 WeakPolarHBondContact O-CG 3.48Å; E397-K400 PolarHBondContact O-N 3.43Å; E397-K400 VanDerWaalsContact OE2-CD 3.31Å; E397-K400 WeakPolarHBondContact OE2-CD 3.47Å; E397-K400 WeakPolarHBondContact OE2-CE 3.49Å; E397-K400 IonicContact OE2-NZ 3.07Å; E397-K400 PolarHBondContact OE2-NZ 2.66Å; E397-E402 HydrophobicContact CB-CB 4.05Å; E397-E402 HydrophobicContact CB-CG 3.72Å; E397-E402 HydrophobicContact CG-CG 4.13Å
398Y94.1Very high96.3Very high41 Ų4122.5 Ų22.516%0.16112%0.118CC..THydrogen-bonded Turntrans-57.4134.9178.4-170.9-81.7000111.1L322 L395 F415 P417 R424 M571L322-Y398 HydrophobicContact CB-CE2 4.42Å; L322-Y398 HydrophobicContact CD2-CD2 4.12Å; L322-Y398 HydrophobicContact CD2-CE2 3.93Å; L395-Y398 VanDerWaalsContact O-CB 3.26Å; L395-Y398 WeakPolarHBondContact O-CB 3.35Å; L395-Y398 PolarHBondContact O-N 2.82Å; L395-Y398 VanDerWaalsContact O-N 3.12Å; Y398-F415 HydrophobicContact CD1-CE2 4.38Å; Y398-F415 HydrophobicContact CD2-CE2 4.31Å; Y398-F415 HydrophobicContact CD2-CZ 4.48Å; Y398-F415 HydrophobicContact CE1-CE2 4.34Å; Y398-F415 HydrophobicContact CE2-CE2 4.25Å; Y398-F415 HydrophobicContact CE2-CZ 4.15Å; Y398-F415 HydrophobicContact CG-CE2 4.37Å; Y398-P417 HydrophobicContact CD1-CB 3.5Å; Y398-P417 VanDerWaalsContact CD1-CB 3.5Å; Y398-P417 HydrophobicContact CE1-CB 3.42Å; Y398-P417 VanDerWaalsContact CE1-CB 3.42Å; Y398-P417 HydrophobicContact CE1-CG 4.01Å; Y398-R424 PolarHBondContact O-NH1 3.3Å; Y398-R424 PolarHBondContact O-NH2 2.8Å; Y398-M571 PolarHBondContact OH-SD 3.42Å
399P91.7Very high96.3Very high97 Ų9721.6 Ų21.663%0.6311%0.114SC*.THydrogen-bonded Turncis-95.219.98.938.8-37.3000115.3L322 A401L322-P399 WeakPolarHBondContact CD2-O 3.13Å; P399-A401 PolarHBondContact O-N 2.9Å
400K91.2Very high96.2Very high37 Ų3717 Ų1716%0.16110%0.098CC..SBendtrans-59133.1165.3-63.6172.4-175173.50107.7E143 P190 E397 E402E143-K400 IonicContact OE1-NZ 2.75Å; E143-K400 PolarHBondContact OE1-NZ 3.48Å; P190-K400 HydrophobicContact CG-CG 3.75Å; E397-K400 HydrophobicContact CB-CB 4.35Å; E397-K400 HydrophobicContact CB-CD 4.34Å; E397-K400 WeakPolarHBondContact O-CA 3.42Å; E397-K400 WeakPolarHBondContact O-CB 3.44Å; E397-K400 WeakPolarHBondContact O-CG 3.48Å; E397-K400 PolarHBondContact O-N 3.43Å; E397-K400 VanDerWaalsContact OE2-CD 3.31Å; E397-K400 WeakPolarHBondContact OE2-CD 3.47Å; E397-K400 WeakPolarHBondContact OE2-CE 3.49Å; E397-K400 IonicContact OE2-NZ 3.07Å; E397-K400 PolarHBondContact OE2-NZ 2.66Å; K400-E402 HydrophobicContact CB-CG 4.06Å; K400-E402 PolarHBondContact O-N 3.31Å
401A91.4Very high96.1Very high11 Ų1117.2 Ų17.29%0.09110%0.099CC..  trans-75.760.717900000110.9R321 L322 P399R321-A401 HydrophobicContact CB-CB 4.2Å; R321-A401 WeakPolarHBondContact CD-O 3.33Å; R321-A401 PolarHBondContact NH1-O 3.36Å; L322-A401 HydrophobicContact CD1-CB 4.36Å; L322-A401 HydrophobicContact CD2-CB 4.26Å; L322-A401 HydrophobicContact CG-CB 4.19Å; P399-A401 PolarHBondContact O-N 2.9Å
402E94Very high96.1Very high11 Ų1120.9 Ų20.95%0.05111%0.112CC..  trans-81.5147.9-176.3-85.6-55.2140.300112.8R188 H209 E397 K400 R404 F405R188-E402 WeakPolarHBondContact CD-OE1 3.3Å; R188-E402 WeakPolarHBondContact CG-OE1 3.18Å; R188-E402 IonicContact CZ-OE1 2.78Å; R188-E402 IonicContact NE-OE1 3.73Å; R188-E402 PolarHBondContact NE-OE1 2.72Å; R188-E402 IonicContact NH2-OE1 3.03Å; H209-E402 IonicContact NE2-OE1 3.6Å; E397-E402 HydrophobicContact CB-CB 4.05Å; E397-E402 HydrophobicContact CB-CG 3.72Å; E397-E402 HydrophobicContact CG-CG 4.13Å; K400-E402 HydrophobicContact CB-CG 4.06Å; K400-E402 PolarHBondContact O-N 3.31Å; E402-R404 HydrophobicContact CB-CG 4.04Å; E402-R404 PolarHBondContact O-N 2.69Å; E402-R404 VanDerWaalsContact O-N 3.12Å; E402-F405 PolarHBondContact O-N 2.89Å
403G94.6Very high96.1Very high7 Ų720.3 Ų20.37%0.07211%0.11CC..THydrogen-bonded Turntrans-57.5-29179.800000113N347 S348 G349 F405N347-G403 CarbonylContact C-O 3.5Å; N347-G403 WeakPolarHBondContact CB-O 3.44Å; S348-G403 PolarHBondContact N-O 3.46Å; S348-G403 PolarHBondContact OG-O 3.13Å; G349-G403 PolarHBondContact N-O 3.26Å; G403-F405 PolarHBondContact O-N 3.33Å; G403-F405 VanDerWaalsContact O-N 3.11Å
404R96.6Very high96.1Very high6 Ų619 Ų192%0.02310%0.102CC..THydrogen-bonded Turntrans-62.9-14.3-178.577.1177.763.9-161.6-10.3115.5E146 N393 S394 S396 E402 D456 Y458E146-R404 IonicContact OE2-CZ 3.32Å; E146-R404 IonicContact OE2-NH1 3.23Å; E146-R404 PolarHBondContact OE2-NH1 3.22Å; E146-R404 IonicContact OE2-NH2 2.67Å; E146-R404 PolarHBondContact OE2-NH2 2.85Å; N393-R404 WeakPolarHBondContact O-CD 3.25Å; S394-R404 WeakPolarHBondContact CA-O 3.5Å; S394-R404 WeakPolarHBondContact CB-O 3.48Å; S396-R404 WeakPolarHBondContact OG-CD 3.3Å; S396-R404 PolarHBondContact OG-NH1 3.46Å; E402-R404 HydrophobicContact CB-CG 4.04Å; E402-R404 PolarHBondContact O-N 2.69Å; E402-R404 VanDerWaalsContact O-N 3.12Å; R404-D456 WeakPolarHBondContact CA-OD2 3.41Å; R404-D456 HydrophobicContact CB-CB 3.82Å; R404-D456 PolarHBondContact N-OD2 3.29Å; R404-Y458 HydrophobicContact CB-CE2 4.1Å; R404-Y458 PolarHBondContact O-OH 2.99Å
405F97.9Very high96.2Very high6 Ų619 Ų193%0.02610%0.102CC..SBendtrans-57136.7178-175.7-91.5000110.4V320 R321 K323 S348 S394 L395 E402 G403 I569V320-F405 WeakPolarHBondContact O-CD1 3.48Å; R321-F405 WeakPolarHBondContact O-CB 3.06Å; R321-F405 VanDerWaalsContact O-CG 3.27Å; R321-F405 WeakPolarHBondContact O-CG 3.43Å; K323-F405 WeakPolarHBondContact O-CE1 3.44Å; S348-F405 VanDerWaalsContact CB-O 3.25Å; S348-F405 WeakPolarHBondContact CB-O 3.49Å; S348-F405 PolarHBondContact N-O 2.81Å; S348-F405 PolarHBondContact OG-O 3.23Å; S394-F405 WeakPolarHBondContact O-CA 3.14Å; L395-F405 HydrophobicContact CD2-CD2 4.32Å; L395-F405 HydrophobicContact CD2-CE2 4.02Å; E402-F405 PolarHBondContact O-N 2.89Å; G403-F405 PolarHBondContact O-N 3.33Å; G403-F405 VanDerWaalsContact O-N 3.11Å; F405-I569 HydrophobicContact CE1-CD1 4Å; F405-I569 HydrophobicContact CZ-CD1 4.16Å; F405-I569 HydrophobicContact CZ-CG2 4.08Å
406P98.2Very high96.1Very high1 Ų120.2 Ų20.21%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-84.7141-166.735-35.5000112L345 S394 I408 F413 I569L345-P406 HydrophobicContact CD1-CB 4.2Å; L345-P406 HydrophobicContact CG-CB 4.19Å; S394-P406 WeakPolarHBondContact OG-CD 3.29Å; S394-P406 VanDerWaalsContact OG-CG 3.29Å; S394-P406 WeakPolarHBondContact OG-CG 3.38Å; P406-I408 HydrophobicContact CB-CG2 4.06Å; P406-F413 HydrophobicContact CG-CE1 4.16Å; P406-F413 HydrophobicContact CG-CZ 3.95Å; P406-I569 HydrophobicContact CG-CD1 4.27Å; P406-I569 WeakPolarHBondContact O-CD1 3.36Å
407M98.2Very high96.1Very high6 Ų620.6 Ų20.63%0.0311%0.111CC..EExtended strand (participates in β ladder)trans-102.7134.7156.4-58.7-174.1-65.400108.6G328 C332 L345 I346 L351G328-M407 VanDerWaalsContact CA-SD 3.55Å; C332-M407 VanDerWaalsContact SG-C 3.57Å; L345-M407 WeakPolarHBondContact CA-O 3.18Å; I346-M407 HydrophobicContact CB-CE 3.95Å; I346-M407 HydrophobicContact CG2-CE 3.62Å; I346-M407 PolarHBondContact N-O 2.95Å; I346-M407 WeakPolarHBondContact O-CB 3.32Å; I346-M407 PolarHBondContact O-N 3.05Å; L351-M407 HydrophobicContact CD1-CE 4.25Å; L351-M407 HydrophobicContact CD1-SD 3.25Å; L351-M407 WeakPolarHBondContact CD1-SD 3.12Å; L351-M407 HydrophobicContact CD2-CE 3.96Å; L351-M407 HydrophobicContact CD2-SD 4.03Å; L351-M407 HydrophobicContact CG-CE 3.73Å; L351-M407 HydrophobicContact CG-SD 3.41Å; L351-M407 WeakPolarHBondContact CG-SD 3.33Å
408I98.4Very high96.2Very high0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-133.1147.9-168.462.4173.2000113.9C332 V344 P406 M411 F413 R568 I569C332-I408 VanDerWaalsContact CB-C 3.45Å; C332-I408 WeakPolarHBondContact CB-O 3.5Å; V344-I408 WeakPolarHBondContact O-CA 3.41Å; P406-I408 HydrophobicContact CB-CG2 4.06Å; I408-M411 HydrophobicContact CB-CG 3.69Å; I408-M411 HydrophobicContact CB-SD 4.02Å; I408-M411 HydrophobicContact CD1-CG 3.95Å; I408-M411 HydrophobicContact CG1-CG 4.3Å; I408-M411 HydrophobicContact CG2-CG 4.1Å; I408-M411 HydrophobicContact CG2-SD 3.71Å; I408-F413 HydrophobicContact CD1-CD1 3.84Å; I408-F413 HydrophobicContact CD1-CE1 3.88Å; I408-R568 HydrophobicContact CD1-CB 3.66Å; I408-R568 WeakPolarHBondContact CD1-O 3.12Å; I408-R568 HydrophobicContact CG1-CB 3.92Å; I408-R568 PolarHBondContact O-NH1 3.45Å; I408-I569 HydrophobicContact CD1-CD1 4.14Å; I408-I569 HydrophobicContact CD1-CG1 3.42Å; I408-I569 VanDerWaalsContact CD1-CG1 3.42Å; I408-I569 HydrophobicContact CG1-CD1 4.05Å; I408-I569 HydrophobicContact CG1-CG1 3.82Å
409G97.5Very high96.3Very high0 Ų027.3 Ų27.30%015%0.146CC..EExtended strand (participates in β ladder)trans-137.1143171.800000110.6C343 V344 M411C343-G409 CarbonylContact C-O 3.54Å; C343-G409 VanDerWaalsContact CA-O 3.23Å; C343-G409 WeakPolarHBondContact CA-O 3.45Å; C343-G409 WeakPolarHBondContact CB-O 3.24Å; V344-G409 PolarHBondContact N-O 3.09Å; V344-G409 PolarHBondContact O-N 2.77Å; V344-G409 VanDerWaalsContact O-N 3.14Å; G409-M411 PolarHBondContact O-N 3.12Å; G409-M411 VanDerWaalsContact O-N 3.11Å
410G96.4Very high96.5Very high19 Ų1926.7 Ų26.720%0.19614%0.144CC..SBendtrans69.36.3177.400000114.7Q433G410-Q433 PolarHBondContact O-N 3.25Å
411M97.7Very high96.8Very high6 Ų629 Ų293%0.0316%0.161CC..EExtended strand (participates in β ladder)trans-135.7161173.265.3168.880.100110.3C343 L345 L387 L391 I408 G409 T431 I432 L445C343-M411 HydrophobicContact CB-CB 4.07Å; C343-M411 HydrophobicContact CB-CE 3.47Å; C343-M411 VanDerWaalsContact CB-CE 3.47Å; C343-M411 HydrophobicContact CB-CG 4.33Å; C343-M411 VanDerWaalsContact SG-CE 3.51Å; L345-M411 HydrophobicContact CB-CE 4.45Å; L387-M411 HydrophobicContact CD1-CE 4.01Å; L387-M411 HydrophobicContact CD2-CE 4.19Å; L391-M411 HydrophobicContact CD2-SD 4.37Å; I408-M411 HydrophobicContact CB-CG 3.69Å; I408-M411 HydrophobicContact CB-SD 4.02Å; I408-M411 HydrophobicContact CD1-CG 3.95Å; I408-M411 HydrophobicContact CG1-CG 4.3Å; I408-M411 HydrophobicContact CG2-CG 4.1Å; I408-M411 HydrophobicContact CG2-SD 3.71Å; G409-M411 PolarHBondContact O-N 3.12Å; G409-M411 VanDerWaalsContact O-N 3.11Å; M411-T431 CarbonylContact C-O 3.53Å; M411-T431 WeakPolarHBondContact CA-O 3.44Å; M411-T431 WeakPolarHBondContact CB-O 3.39Å; M411-I432 HydrophobicContact CB-CG1 4.31Å; M411-L445 HydrophobicContact CE-CD1 3.69Å
412R98.5Very high97Very high80 Ų8030.6 Ų30.630%0.30218%0.179SC..EExtended strand (participates in β ladder)trans-140.5146.2171.6-55.6-179.9156.3-119.30.1109S430 T431 D566 G567 R568R412-S430 CarbonylContact O-C 3.54Å; R412-S430 VanDerWaalsContact O-CA 3.3Å; R412-S430 WeakPolarHBondContact O-CA 3.43Å; R412-T431 PolarHBondContact N-O 2.73Å; R412-T431 PolarHBondContact O-N 2.72Å; R412-D566 VanDerWaalsContact CZ-O 3.29Å; R412-D566 IonicContact CZ-OD2 3.19Å; R412-D566 PolarHBondContact NH1-O 3.36Å; R412-D566 VanDerWaalsContact NH2-CG 3.31Å; R412-D566 PolarHBondContact NH2-O 2.95Å; R412-D566 IonicContact NH2-OD2 2.91Å; R412-D566 PolarHBondContact NH2-OD2 3.23Å; R412-G567 PolarHBondContact NH1-O 2.91Å; R412-R568 CarbonylContact C-O 3.51Å; R412-R568 VanDerWaalsContact CA-O 3.24Å; R412-R568 WeakPolarHBondContact CA-O 3.44Å; R412-R568 HydrophobicContact CG-CB 4.3Å; R412-R568 HydrophobicContact CG-CG 4.37Å
413F98.5Very high97.2Very high5 Ų533.3 Ų33.32%0.02220%0.196CC..EExtended strand (participates in β ladder)trans-152163172.174.4-85.6000111.6L391 L395 P406 I408 F415 V425 S430 R568 I569 K570L391-F413 HydrophobicContact CD1-CB 4.27Å; L391-F413 HydrophobicContact CD1-CD1 4.1Å; L391-F413 HydrophobicContact CD1-CG 4.1Å; L391-F413 HydrophobicContact CD2-CD1 3.91Å; L391-F413 HydrophobicContact CD2-CE1 3.68Å; L391-F413 HydrophobicContact CD2-CZ 4.18Å; L395-F413 HydrophobicContact CD1-CE2 3.96Å; L395-F413 HydrophobicContact CD2-CE2 4.5Å; P406-F413 HydrophobicContact CG-CE1 4.16Å; P406-F413 HydrophobicContact CG-CZ 3.95Å; I408-F413 HydrophobicContact CD1-CD1 3.84Å; I408-F413 HydrophobicContact CD1-CE1 3.88Å; F413-F415 HydrophobicContact CD2-CB 4.44Å; F413-F415 HydrophobicContact CE2-CB 4.14Å; F413-F415 AromaticContact CE2-CD1 3.98Å; F413-F415 HydrophobicContact CE2-CD1 3.98Å; F413-F415 HydrophobicContact CE2-CG 4.39Å; F413-V425 HydrophobicContact CD2-CG1 4.44Å; F413-S430 WeakPolarHBondContact CB-OG 3.36Å; F413-R568 PolarHBondContact N-O 3.4Å; F413-I569 HydrophobicContact CD1-CG1 4.46Å; F413-I569 HydrophobicContact CE1-CB 4.38Å; F413-I569 HydrophobicContact CE1-CD1 4.3Å; F413-I569 HydrophobicContact CE1-CG1 3.76Å; F413-I569 HydrophobicContact CE1-CG2 4.05Å; F413-I569 HydrophobicContact CE2-CG2 3.99Å; F413-I569 HydrophobicContact CZ-CB 4.38Å; F413-I569 HydrophobicContact CZ-CG1 4.14Å; F413-I569 HydrophobicContact CZ-CG2 3.57Å; F413-K570 PolarHBondContact O-N 3.37Å
414A98.3Very high97.4Very high1 Ų134.2 Ų34.21%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-117.4153.2169.500000110.6I426 E429 K570 V572A414-I426 HydrophobicContact CB-CB 4.23Å; A414-I426 HydrophobicContact CB-CD1 4.07Å; A414-I426 PolarHBondContact O-N 3.11Å; A414-E429 HydrophobicContact CB-CB 3.79Å; A414-E429 HydrophobicContact CB-CG 4.32Å; A414-K570 CarbonylContact C-O 3.48Å; A414-K570 WeakPolarHBondContact CA-O 3.18Å; A414-K570 HydrophobicContact CB-CB 4.03Å; A414-K570 HydrophobicContact CB-CD 4.43Å; A414-K570 HydrophobicContact CB-CG 4.47Å; A414-V572 HydrophobicContact CB-CG2 4.1Å
415F98.2Very high97.4Very high3 Ų334.2 Ų34.21%0.01320%0.198CC..EExtended strand (participates in β ladder)trans-141.8152176.775.7-78.1000112.5L395 Y398 F413 P417 R424 I569 K570 M571 V572L395-F415 HydrophobicContact CD1-CB 3.48Å; L395-F415 VanDerWaalsContact CD1-CB 3.48Å; L395-F415 HydrophobicContact CD1-CD1 4.48Å; L395-F415 HydrophobicContact CD1-CD2 4.02Å; L395-F415 HydrophobicContact CD1-CG 3.76Å; L395-F415 HydrophobicContact CD2-CD1 4.15Å; L395-F415 HydrophobicContact CD2-CD2 3.85Å; L395-F415 HydrophobicContact CD2-CE1 4.28Å; L395-F415 HydrophobicContact CD2-CE2 3.99Å; L395-F415 HydrophobicContact CD2-CG 3.93Å; L395-F415 HydrophobicContact CD2-CZ 4.2Å; L395-F415 HydrophobicContact CG-CD2 4.49Å; L395-F415 HydrophobicContact CG-CG 4.49Å; Y398-F415 HydrophobicContact CD1-CE2 4.38Å; Y398-F415 HydrophobicContact CD2-CE2 4.31Å; Y398-F415 HydrophobicContact CD2-CZ 4.48Å; Y398-F415 HydrophobicContact CE1-CE2 4.34Å; Y398-F415 HydrophobicContact CE2-CE2 4.25Å; Y398-F415 HydrophobicContact CE2-CZ 4.15Å; Y398-F415 HydrophobicContact CG-CE2 4.37Å; F413-F415 HydrophobicContact CD2-CB 4.44Å; F413-F415 HydrophobicContact CE2-CB 4.14Å; F413-F415 AromaticContact CE2-CD1 3.98Å; F413-F415 HydrophobicContact CE2-CD1 3.98Å; F413-F415 HydrophobicContact CE2-CG 4.39Å; F415-P417 HydrophobicContact CE2-CB 4.19Å; F415-P417 HydrophobicContact CE2-CG 4.43Å; F415-R424 CarbonylContact C-O 3.57Å; F415-R424 WeakPolarHBondContact CA-O 3.21Å; F415-R424 WeakPolarHBondContact CB-O 3.2Å; F415-I569 HydrophobicContact CD1-CG2 4.05Å; F415-I569 HydrophobicContact CE1-CG2 3.83Å; F415-K570 PolarHBondContact N-O 3Å; F415-M571 HydrophobicContact CE1-CB 3.8Å; F415-M571 HydrophobicContact CE1-CG 4.27Å; F415-M571 HydrophobicContact CE2-CG 4.1Å; F415-M571 HydrophobicContact CZ-CB 3.8Å; F415-M571 HydrophobicContact CZ-CG 3.82Å; F415-M571 HydrophobicContact CZ-SD 4.44Å; F415-V572 PolarHBondContact O-N 3.39Å
416N97.7Very high97.4Very high27 Ų2735 Ų3514%0.14420%0.202CC..  trans-116109.8174.1-178.2-15.3000109.9L418 K419 R424 V572N416-L418 PolarHBondContact O-N 3.4Å; N416-L418 VanDerWaalsContact OD1-CB 3.25Å; N416-L418 WeakPolarHBondContact OD1-CB 3.34Å; N416-L418 PolarHBondContact OD1-N 3Å; N416-K419 HydrophobicContact CB-CD 4.29Å; N416-K419 HydrophobicContact CB-CG 4.13Å; N416-K419 PolarHBondContact O-N 3.47Å; N416-R424 PolarHBondContact N-O 2.75Å; N416-V572 WeakPolarHBondContact CA-O 3.45Å; N416-V572 PolarHBondContact OD1-O 3.47Å
417P95.5Very high97.4Very high23 Ų2337 Ų3715%0.14922%0.215CC..THydrogen-bonded Turntrans-69.6-14.2-177.229.5-35.8000114Y398 F415 K419 M571 T573Y398-P417 HydrophobicContact CD1-CB 3.5Å; Y398-P417 VanDerWaalsContact CD1-CB 3.5Å; Y398-P417 HydrophobicContact CE1-CB 3.42Å; Y398-P417 VanDerWaalsContact CE1-CB 3.42Å; Y398-P417 HydrophobicContact CE1-CG 4.01Å; F415-P417 HydrophobicContact CE2-CB 4.19Å; F415-P417 HydrophobicContact CE2-CG 4.43Å; P417-K419 VanDerWaalsContact C-N 3.3Å; P417-M571 HydrophobicContact CG-CG 4.12Å; P417-M571 HydrophobicContact CG-SD 4.09Å; P417-T573 HydrophobicContact CG-CG2 4.42Å
418L95.6Very high97.3Very high141 Ų14144.5 Ų44.574%0.73825%0.249SC*.THydrogen-bonded Turntrans-77.7-15.6176.4-55.7177.5000112.8N416N416-L418 PolarHBondContact O-N 3.4Å; N416-L418 VanDerWaalsContact OD1-CB 3.25Å; N416-L418 WeakPolarHBondContact OD1-CB 3.34Å; N416-L418 PolarHBondContact OD1-N 3Å
419K96.5Very high97.2Very high87 Ų8748.3 Ų48.338%0.37827%0.267SS..SBendtrans-74.7155.2173-67.2-173.8-178.7177.60110.8N416 P417 T423 R424N416-K419 HydrophobicContact CB-CD 4.29Å; N416-K419 HydrophobicContact CB-CG 4.13Å; N416-K419 PolarHBondContact O-N 3.47Å; P417-K419 VanDerWaalsContact C-N 3.3Å; K419-T423 WeakPolarHBondContact CD-O 3.45Å; K419-R424 HydrophobicContact CB-CG 4.36Å; K419-R424 PolarHBondContact O-NE 3.36Å
420S96.3Very high97.3Very high83 Ų8348.4 Ų48.458%0.5827%0.268SS*.PPolyproline II helixtrans-57.4145.817435.30000111.4G422 T423S420-G422 PolarHBondContact O-N 3.06Å; S420-T423 PolarHBondContact O-N 3.43Å; S420-T423 PolarHBondContact O-OG1 3.49Å; S420-T423 PolarHBondContact OG-OG1 2.65Å
421V96.5Very high97.4Very high85 Ų8549 Ų4952%0.51527%0.267SS..THydrogen-bonded Turntrans-50.7134.5171.3175.70000109.6S396S396-V421 WeakPolarHBondContact O-CG2 3.48Å
422G96.7Very high97.3Very high45 Ų4549 Ų4946%0.46427%0.268SS..THydrogen-bonded Turntrans88-0.5-174.400000114.8E392 S420E392-G422 WeakPolarHBondContact OE2-CA 3.37Å; S420-G422 PolarHBondContact O-N 3.06Å
423T97.3Very high97.1Very high68 Ų6847 Ų4742%0.41726%0.262SS..  trans-138.515.4178.261.60000113.5E392 K419 S420E392-T423 VanDerWaalsContact CD-N 3.34Å; E392-T423 VanDerWaalsContact OE1-CA 3.25Å; E392-T423 WeakPolarHBondContact OE1-CA 3.28Å; E392-T423 PolarHBondContact OE1-N 3.29Å; E392-T423 PolarHBondContact OE2-N 3.31Å; K419-T423 WeakPolarHBondContact CD-O 3.45Å; S420-T423 PolarHBondContact O-N 3.43Å; S420-T423 PolarHBondContact O-OG1 3.49Å; S420-T423 PolarHBondContact OG-OG1 2.65Å
424R98.1Very high96.9Very high26 Ų2652.4 Ų52.410%0.09829%0.291CS..  trans-75.7-31.1-173.9-68179.9169.9177.2-6.1113E392 L395 S396 Y398 F415 N416 K419E392-R424 PolarHBondContact OE1-N 3.4Å; E392-R424 PolarHBondContact OE2-N 3.41Å; L395-R424 HydrophobicContact CD1-CB 4.18Å; L395-R424 PolarHBondContact O-NH1 2.77Å; S396-R424 PolarHBondContact O-NH1 3.03Å; Y398-R424 PolarHBondContact O-NH1 3.3Å; Y398-R424 PolarHBondContact O-NH2 2.8Å; F415-R424 CarbonylContact C-O 3.57Å; F415-R424 WeakPolarHBondContact CA-O 3.21Å; F415-R424 WeakPolarHBondContact CB-O 3.2Å; N416-R424 PolarHBondContact N-O 2.75Å; K419-R424 HydrophobicContact CB-CG 4.36Å; K419-R424 PolarHBondContact O-NE 3.36Å
425V98.4Very high96.8Very high7 Ų758.7 Ų58.74%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-70135.7-178.5-178.70000110.2I388 L391 E392 L395 F413 V427I388-V425 HydrophobicContact CD1-CG1 4.05Å; L391-V425 HydrophobicContact CB-CG2 3.71Å; E392-V425 HydrophobicContact CG-CB 4.45Å; E392-V425 HydrophobicContact CG-CG2 3.94Å; E392-V425 WeakPolarHBondContact OE1-CB 3.34Å; E392-V425 WeakPolarHBondContact OE1-CG2 3.45Å; E392-V425 PolarHBondContact OE1-N 2.73Å; L395-V425 HydrophobicContact CD1-CG2 3.8Å; F413-V425 HydrophobicContact CD2-CG1 4.44Å; V425-V427 PolarHBondContact O-N 2.85Å
426I97.8Very high96.8Very high23 Ų2363 Ų6312%0.11835%0.349CS..EExtended strand (participates in β ladder)trans-94.594.4171.7-55173.7000106.7A414 E428 E429 S430 V572A414-I426 HydrophobicContact CB-CB 4.23Å; A414-I426 HydrophobicContact CB-CD1 4.07Å; A414-I426 PolarHBondContact O-N 3.11Å; I426-E428 PolarHBondContact O-N 3.22Å; I426-E429 HydrophobicContact CG2-CB 4.22Å; I426-E429 HydrophobicContact CG2-CG 4.11Å; I426-E429 PolarHBondContact O-N 2.84Å; I426-E429 VanDerWaalsContact O-N 3.14Å; I426-S430 PolarHBondContact O-OG 2.95Å; I426-S430 VanDerWaalsContact O-OG 3.09Å; I426-V572 HydrophobicContact CD1-CB 3.97Å; I426-V572 HydrophobicContact CD1-CG1 4.46Å; I426-V572 HydrophobicContact CD1-CG2 3.91Å
427V97.4Very high96.7Very high43 Ų4362.8 Ų62.826%0.26135%0.347SS..EExtended strand (participates in β ladder)trans-56.7-38.5-173.7168.30000112I388 V425 E429 S430 I437 M439I388-V427 HydrophobicContact CD1-CG2 4.15Å; I388-V427 HydrophobicContact CG1-CG2 4.28Å; I388-V427 HydrophobicContact CG2-CG2 4.01Å; V425-V427 PolarHBondContact O-N 2.85Å; V427-E429 PolarHBondContact O-N 2.97Å; V427-S430 VanDerWaalsContact O-CB 3.25Å; V427-S430 WeakPolarHBondContact O-CB 3.36Å; V427-S430 PolarHBondContact O-N 2.95Å; V427-I437 HydrophobicContact CG1-CG2 4.47Å; V427-M439 HydrophobicContact CB-CE 4.28Å; V427-M439 HydrophobicContact CG1-CE 3.12Å; V427-M439 HydrophobicContact CG2-CE 4.16Å
428E96.8Very high96.9Very high163 Ų16365.5 Ų65.576%0.76236%0.36SS*.EExtended strand (participates in β ladder)trans-67.7-22.7-176.3-59.177.4-169.500112.9I426I426-E428 PolarHBondContact O-N 3.22Å
429E96.6Very high97Very high79 Ų7962.1 Ų62.137%0.36934%0.342SS..EExtended strand (participates in β ladder)trans-94.83.9174.3-71.3-172.1-123.100112.3A414 I426 V427 K570A414-E429 HydrophobicContact CB-CB 3.79Å; A414-E429 HydrophobicContact CB-CG 4.32Å; I426-E429 HydrophobicContact CG2-CB 4.22Å; I426-E429 HydrophobicContact CG2-CG 4.11Å; I426-E429 PolarHBondContact O-N 2.84Å; I426-E429 VanDerWaalsContact O-N 3.14Å; V427-E429 PolarHBondContact O-N 2.97Å; E429-K570 IonicContact OE2-NZ 3.73Å; E429-K570 PolarHBondContact OE2-NZ 3.15Å
430S98Very high97Very high3 Ų367.1 Ų67.12%0.02136%0.363CS..EExtended strand (participates in β ladder)trans-90.5126.8-177.5-57.40000111.9R412 F413 I426 V427 I437R412-S430 CarbonylContact O-C 3.54Å; R412-S430 VanDerWaalsContact O-CA 3.3Å; R412-S430 WeakPolarHBondContact O-CA 3.43Å; F413-S430 WeakPolarHBondContact CB-OG 3.36Å; I426-S430 PolarHBondContact O-OG 2.95Å; I426-S430 VanDerWaalsContact O-OG 3.09Å; V427-S430 VanDerWaalsContact O-CB 3.25Å; V427-S430 WeakPolarHBondContact O-CB 3.36Å; V427-S430 PolarHBondContact O-N 2.95Å; S430-I437 PolarHBondContact O-N 2.9Å
431T98.3Very high97.1Very high30 Ų3067.6 Ų67.618%0.18436%0.356CS..EExtended strand (participates in β ladder)trans-134.6149.7-177.464.30000111.8M411 R412 E435M411-T431 CarbonylContact C-O 3.53Å; M411-T431 WeakPolarHBondContact CA-O 3.44Å; M411-T431 WeakPolarHBondContact CB-O 3.39Å; R412-T431 PolarHBondContact N-O 2.73Å; R412-T431 PolarHBondContact O-N 2.72Å; T431-E435 CarbonylContact C-O 3.39Å; T431-E435 WeakPolarHBondContact CA-O 3.5Å; T431-E435 WeakPolarHBondContact CB-O 3.39Å
432I97.5Very high97.2Very high8 Ų869.4 Ų69.44%0.04136%0.357CS..EExtended strand (participates in β ladder)trans-124.5127.9169.3-62.2172.5000107D342 C343 L387 M411 N434 E435 I437 Y443D342-I432 HydrophobicContact CB-CG2 3.94Å; C343-I432 HydrophobicContact CB-CG2 4.32Å; L387-I432 HydrophobicContact CD2-CD1 3.5Å; L387-I432 VanDerWaalsContact CD2-CD1 3.5Å; L387-I432 HydrophobicContact CD2-CG1 4.16Å; M411-I432 HydrophobicContact CB-CG1 4.31Å; I432-N434 PolarHBondContact O-N 3.25Å; I432-N434 VanDerWaalsContact O-N 3.15Å; I432-E435 PolarHBondContact N-O 3.05Å; I432-E435 PolarHBondContact O-N 3.06Å; I432-I437 HydrophobicContact CD1-CD1 4.16Å; I432-I437 HydrophobicContact CD1-CG1 4.11Å; I432-Y443 HydrophobicContact CB-CD1 4.35Å; I432-Y443 HydrophobicContact CB-CE1 4.1Å; I432-Y443 HydrophobicContact CD1-CD1 3.57Å; I432-Y443 HydrophobicContact CD1-CD2 3.68Å; I432-Y443 HydrophobicContact CD1-CE1 3.64Å; I432-Y443 HydrophobicContact CD1-CE2 3.76Å; I432-Y443 HydrophobicContact CD1-CG 3.57Å; I432-Y443 HydrophobicContact CG1-CE1 4.47Å; I432-Y443 HydrophobicContact CG2-CD1 3.92Å; I432-Y443 HydrophobicContact CG2-CE1 4.09Å
433Q94.4Very high97.3Very high38 Ų3867.9 Ų67.918%0.17834%0.338CS..THydrogen-bonded Turntrans53.633.7-177.3-63.6-65.1-45.200113.6D342 G410 E435 M508D342-Q433 WeakPolarHBondContact O-CG 3.38Å; D342-Q433 PolarHBondContact O-NE2 3.3Å; G410-Q433 PolarHBondContact O-N 3.25Å; Q433-E435 PolarHBondContact O-N 3.23Å; Q433-M508 HydrophobicContact CG-CG 4.41Å
434N92.9Very high97.3Very high117 Ų11768.1 Ų68.163%0.62633%0.331SS*.THydrogen-bonded Turntrans679.3-175.4-52.4-40.1000115.8I432I432-N434 PolarHBondContact O-N 3.25Å; I432-N434 VanDerWaalsContact O-N 3.15Å
435E96.5Very high97.4Very high134 Ų13466.9 Ų66.963%0.62633%0.326SS*.EExtended strand (participates in β ladder)trans-101.2142171.4-63.5-62.2150.900109.8T431 I432 Q433 I437T431-E435 CarbonylContact C-O 3.39Å; T431-E435 WeakPolarHBondContact CA-O 3.5Å; T431-E435 WeakPolarHBondContact CB-O 3.39Å; I432-E435 PolarHBondContact N-O 3.05Å; I432-E435 PolarHBondContact O-N 3.06Å; Q433-E435 PolarHBondContact O-N 3.23Å; E435-I437 PolarHBondContact O-N 2.96Å
436P97.7Very high97.4Very high94 Ų9466.5 Ų66.561%0.6132%0.324SS*.EExtended strand (participates in β ladder)trans-53.1139.4174.4-26.234.7000112N438P436-N438 PolarHBondContact O-N 3.06Å
437I97.1Very high97.4Very high21 Ų2165.4 Ų65.411%0.10832%0.319CS..PPolyproline II helixtrans-63.2131179.9-163.5170.2000111.1L387 I388 V427 S430 I432 E435 M439 Y443L387-I437 HydrophobicContact CB-CD1 4.28Å; L387-I437 HydrophobicContact CD2-CD1 3.86Å; L387-I437 HydrophobicContact CG-CD1 4.38Å; I388-I437 HydrophobicContact CD1-CD1 4.02Å; I388-I437 HydrophobicContact CD1-CG2 4.42Å; I388-I437 HydrophobicContact CG1-CD1 4.19Å; V427-I437 HydrophobicContact CG1-CG2 4.47Å; S430-I437 PolarHBondContact O-N 2.9Å; I432-I437 HydrophobicContact CD1-CD1 4.16Å; I432-I437 HydrophobicContact CD1-CG1 4.11Å; E435-I437 PolarHBondContact O-N 2.96Å; I437-M439 HydrophobicContact CG2-CE 4.46Å; I437-Y443 HydrophobicContact CG1-CE2 4.2Å
438N97.7Very high97.4Very high81 Ų8163.4 Ų63.443%0.43331%0.306SS..  trans-104.2115.3173.9179.2-25.2000109.4P436 K440 Q441 Y443P436-N438 PolarHBondContact O-N 3.06Å; N438-K440 PolarHBondContact O-N 3.04Å; N438-K440 PolarHBondContact OD1-N 3.25Å; N438-Q441 HydrophobicContact CB-CB 3.71Å; N438-Q441 WeakPolarHBondContact O-CB 3.25Å; N438-Q441 PolarHBondContact O-N 2.91Å; N438-Q441 PolarHBondContact OD1-N 3.25Å; N438-Y443 PolarHBondContact N-OH 2.8Å
439M98Very high97.3Very high70 Ų7057.9 Ų57.935%0.34528%0.282SS..THydrogen-bonded Turntrans-55.6-31-174.1-63.3-57.2179.100114.8G384 S385 I388 V427 I437G384-M439 PolarHBondContact N-O 2.95Å; S385-M439 PolarHBondContact N-O 3.01Å; I388-M439 HydrophobicContact CG1-CE 4.03Å; I388-M439 HydrophobicContact CG1-SD 4.17Å; V427-M439 HydrophobicContact CB-CE 4.28Å; V427-M439 HydrophobicContact CG1-CE 3.12Å; V427-M439 HydrophobicContact CG2-CE 4.16Å; I437-M439 HydrophobicContact CG2-CE 4.46Å
440K97.9Very high97.3Very high191 Ų19156.7 Ų56.783%0.8328%0.275SS*.THydrogen-bonded Turntrans-95.8-14.4-178.3-64.1-176.7179.9179.90113.1N438N438-K440 PolarHBondContact O-N 3.04Å; N438-K440 PolarHBondContact OD1-N 3.25Å
441Q98.1Very high97.2Very high93 Ų9356.6 Ų56.644%0.43527%0.274SS..  trans-71.8141.9178.6179.8169.5-28.400109.7T383 G384 N438 Y443T383-Q441 CarbonylContact C-O 3.22Å; T383-Q441 VanDerWaalsContact CA-O 3.29Å; T383-Q441 WeakPolarHBondContact CA-O 3.46Å; G384-Q441 PolarHBondContact N-O 3.41Å; N438-Q441 HydrophobicContact CB-CB 3.71Å; N438-Q441 WeakPolarHBondContact O-CB 3.25Å; N438-Q441 PolarHBondContact O-N 2.91Å; N438-Q441 PolarHBondContact OD1-N 3.25Å; Q441-Y443 HydrophobicContact CB-CE2 3.83Å; Q441-Y443 HydrophobicContact CG-CD1 4.47Å; Q441-Y443 HydrophobicContact CG-CD2 4.47Å; Q441-Y443 HydrophobicContact CG-CE1 3.97Å; Q441-Y443 HydrophobicContact CG-CE2 3.96Å; Q441-Y443 WeakPolarHBondContact O-CD2 2.93Å; Q441-Y443 WeakPolarHBondContact O-CE2 3.44Å
442K98.3Very high97.2Very high124 Ų12456.6 Ų56.654%0.53927%0.273SS..EExtended strand (participates in β ladder)trans-90.3134.3171.5-70.5168.8162-151.20109.2E381 I382 T383E381-K442 VanDerWaalsContact CD-CD 3.5Å; E381-K442 HydrophobicContact CG-CB 3.93Å; E381-K442 HydrophobicContact CG-CD 4.17Å; E381-K442 HydrophobicContact CG-CG 4.14Å; E381-K442 WeakPolarHBondContact OE1-CD 3.41Å; E381-K442 WeakPolarHBondContact OE1-CE 3.42Å; E381-K442 IonicContact OE1-NZ 3.91Å; E381-K442 PolarHBondContact OE1-NZ 3.05Å; E381-K442 IonicContact OE2-NZ 3.19Å; I382-K442 CarbonylContact O-C 3.48Å; I382-K442 WeakPolarHBondContact O-CA 3.34Å; T383-K442 HydrophobicContact CG2-CG 4.3Å
443Y98.3Very high97.1Very high12 Ų1259.5 Ų59.55%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-122.9152.9178.6-60.2-82.5000109.5D342 E381 I382 I432 I437 N438 Q441D342-Y443 HydrophobicContact CB-CD1 4.39Å; D342-Y443 WeakPolarHBondContact OD2-CA 3.46Å; E381-Y443 WeakPolarHBondContact CA-O 3.46Å; I382-Y443 PolarHBondContact N-O 2.78Å; I382-Y443 PolarHBondContact O-N 3.38Å; I432-Y443 HydrophobicContact CB-CD1 4.35Å; I432-Y443 HydrophobicContact CB-CE1 4.1Å; I432-Y443 HydrophobicContact CD1-CD1 3.57Å; I432-Y443 HydrophobicContact CD1-CD2 3.68Å; I432-Y443 HydrophobicContact CD1-CE1 3.64Å; I432-Y443 HydrophobicContact CD1-CE2 3.76Å; I432-Y443 HydrophobicContact CD1-CG 3.57Å; I432-Y443 HydrophobicContact CG1-CE1 4.47Å; I432-Y443 HydrophobicContact CG2-CD1 3.92Å; I432-Y443 HydrophobicContact CG2-CE1 4.09Å; I437-Y443 HydrophobicContact CG1-CE2 4.2Å; N438-Y443 PolarHBondContact N-OH 2.8Å; Q441-Y443 HydrophobicContact CB-CE2 3.83Å; Q441-Y443 HydrophobicContact CG-CD1 4.47Å; Q441-Y443 HydrophobicContact CG-CD2 4.47Å; Q441-Y443 HydrophobicContact CG-CE1 3.97Å; Q441-Y443 HydrophobicContact CG-CE2 3.96Å; Q441-Y443 WeakPolarHBondContact O-CD2 2.93Å; Q441-Y443 WeakPolarHBondContact O-CE2 3.44Å
444R98.4Very high97.1Very high73 Ų7358.4 Ų58.428%0.27530%0.297SS..EExtended strand (participates in β ladder)trans-93.5109.3172.7-60177.66094.73.3108E340 D342 C343 V379 I380 L467E340-R444 PolarHBondContact O-NE 2.52Å; E340-R444 PolarHBondContact O-NH2 3.49Å; E340-R444 VanDerWaalsContact O-NH2 3.12Å; D342-R444 PolarHBondContact N-O 2.71Å; D342-R444 PolarHBondContact OD2-N 3.17Å; C343-R444 PolarHBondContact N-O 3.42Å; V379-R444 HydrophobicContact CG1-CB 3.99Å; I380-R444 WeakPolarHBondContact O-CA 3.32Å; R444-L467 HydrophobicContact CB-CD1 4.36Å; R444-L467 HydrophobicContact CG-CD1 3.75Å
445L98.6Very high97.2Very high0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-105.3125.6179177.473.6000109.4C343 L345 V379 I380 I382 L387 M411 F461C343-L445 HydrophobicContact CB-CD1 4.41Å; C343-L445 WeakPolarHBondContact O-CA 3.23Å; C343-L445 WeakPolarHBondContact SG-CD1 3.49Å; L345-L445 HydrophobicContact CB-CD1 3.94Å; V379-L445 CarbonylContact C-O 3.55Å; V379-L445 WeakPolarHBondContact CA-O 3.33Å; I380-L445 HydrophobicContact CD1-CD2 4.26Å; I380-L445 HydrophobicContact CG1-CB 4.16Å; I380-L445 HydrophobicContact CG1-CD2 4.47Å; I380-L445 PolarHBondContact N-O 3.38Å; I380-L445 PolarHBondContact O-N 2.86Å; I382-L445 HydrophobicContact CD1-CD2 4.16Å; I382-L445 HydrophobicContact CG2-CB 3.73Å; I382-L445 HydrophobicContact CG2-CD2 4.35Å; L387-L445 HydrophobicContact CD1-CD1 4.41Å; L387-L445 HydrophobicContact CD1-CD2 4.27Å; M411-L445 HydrophobicContact CE-CD1 3.69Å; L445-F461 HydrophobicContact CD2-CE1 3.69Å; L445-F461 HydrophobicContact CD2-CZ 3.74Å
446C98.4Very high97.1Very high0 Ų047.8 Ų47.80%024%0.244CC..EExtended strand (participates in β ladder)trans-90136.2167.8-168.60000110.6V335 V339 A341 C343 V344 L345 S378 V379V335-C446 HydrophobicContact CG1-CB 4.04Å; V335-C446 VanDerWaalsContact CG1-SG 3.59Å; V339-C446 HydrophobicContact CG2-CB 3.83Å; A341-C446 HydrophobicContact CB-CB 3.98Å; C343-C446 PolarHBondContact O-N 2.92Å; V344-C446 WeakPolarHBondContact CA-O 3.47Å; V344-C446 HydrophobicContact CG2-CB 4.09Å; L345-C446 PolarHBondContact N-O 3.49Å; S378-C446 CarbonylContact O-C 3.5Å; S378-C446 VanDerWaalsContact O-CA 3.31Å; S378-C446 WeakPolarHBondContact O-CA 3.31Å; S378-C446 PolarHBondContact O-SG 2.99Å; V379-C446 HydrophobicContact CG2-CB 4.11Å
447T98.2Very high97Very high0 Ų043.7 Ų43.70%022%0.219CC..EExtended strand (participates in β ladder)trans-147.5-179.9176.5-163.90000111.2L345 L377 S378 L451 L452 F461L345-T447 WeakPolarHBondContact O-CA 3.37Å; L345-T447 VanDerWaalsContact O-CB 3.27Å; L345-T447 WeakPolarHBondContact O-CB 3.17Å; L345-T447 PolarHBondContact O-OG1 3.35Å; L377-T447 WeakPolarHBondContact CA-O 3.38Å; S378-T447 PolarHBondContact N-O 3.29Å; S378-T447 PolarHBondContact O-N 3.23Å; T447-L451 WeakPolarHBondContact OG1-CD1 3.24Å; T447-L452 HydrophobicContact CG2-CB 4.43Å; T447-F461 HydrophobicContact CG2-CD2 4.03Å; T447-F461 HydrophobicContact CG2-CE2 3.94Å
448T97.5Very high97Very high0 Ų042.8 Ų42.80%021%0.214CC..EExtended strand (participates in β ladder)trans-87.2154.217560.60000111I346 D375 K376 L377 Y450 L451 L452I346-T448 HydrophobicContact CD1-CG2 4.45Å; I346-T448 HydrophobicContact CG1-CG2 4.16Å; I346-T448 HydrophobicContact CG2-CG2 3.83Å; D375-T448 HydrophobicContact CB-CG2 4.18Å; K376-T448 CarbonylContact O-C 3.49Å; K376-T448 WeakPolarHBondContact O-CA 3.46Å; L377-T448 HydrophobicContact CD2-CG2 4.26Å; T448-Y450 PolarHBondContact O-N 3.1Å; T448-L451 PolarHBondContact O-N 3.44Å; T448-L451 PolarHBondContact OG1-N 3.13Å; T448-L452 WeakPolarHBondContact O-CB 3.44Å; T448-L452 PolarHBondContact O-N 3.32Å
449N95.6Very high96.9Very high48 Ų4846.8 Ų46.826%0.25722%0.223SC..Hα-helixtrans-61.3-30.3174.6-81.513.6000112.8K376 S378 L452 A453K376-N449 HydrophobicContact CB-CB 4.45Å; K376-N449 PolarHBondContact O-N 3.08Å; S378-N449 PolarHBondContact OG-OD1 3.24Å; N449-L452 PolarHBondContact O-N 3.27Å; N449-A453 PolarHBondContact O-N 3.22Å
450Y95.5Very high96.8Very high54 Ų5444.4 Ų44.421%0.21221%0.212CC..Hα-helixtrans-57.2-49.2174173.6-98000111.1V147 P149 T448 A453 N455 D456V147-Y450 WeakPolarHBondContact CA-OH 3.48Å; V147-Y450 PolarHBondContact O-OH 3.11Å; V147-Y450 VanDerWaalsContact O-OH 3.14Å; P149-Y450 HydrophobicContact CG-CD2 4.13Å; P149-Y450 HydrophobicContact CG-CE2 3.93Å; T448-Y450 PolarHBondContact O-N 3.1Å; Y450-A453 PolarHBondContact O-N 2.6Å; Y450-N455 HydrophobicContact CD1-CB 4.06Å; Y450-N455 HydrophobicContact CD2-CB 3.84Å; Y450-N455 HydrophobicContact CE1-CB 3.65Å; Y450-N455 HydrophobicContact CE2-CB 3.42Å; Y450-N455 VanDerWaalsContact CE2-CB 3.42Å; Y450-N455 HydrophobicContact CG-CB 4.14Å; Y450-N455 WeakPolarHBondContact O-CB 3.2Å; Y450-N455 PolarHBondContact O-ND2 3.05Å; Y450-D456 HydrophobicContact CE1-CB 4.16Å; Y450-D456 WeakPolarHBondContact CE1-OD1 3.44Å; Y450-D456 PolarHBondContact OH-OD1 3.15Å
451L97.5Very high96.8Very high0 Ų035.3 Ų35.30%017%0.172CC..Hα-helixtrans-71.3-37.7175.8-60.8-172.6000112.1L345 N347 T447 T448 A453 G454 D456 Y458 F461L345-L451 HydrophobicContact CD2-CD1 3.81Å; N347-L451 HydrophobicContact CB-CD1 3.94Å; N347-L451 HydrophobicContact CB-CD2 3.91Å; N347-L451 HydrophobicContact CB-CG 4.34Å; T447-L451 WeakPolarHBondContact OG1-CD1 3.24Å; T448-L451 PolarHBondContact O-N 3.44Å; T448-L451 PolarHBondContact OG1-N 3.13Å; L451-A453 PolarHBondContact O-N 2.85Å; L451-G454 WeakPolarHBondContact O-CA 3.33Å; L451-G454 PolarHBondContact O-N 3.18Å; L451-D456 HydrophobicContact CD2-CB 4Å; L451-Y458 HydrophobicContact CD1-CE1 4.46Å; L451-Y458 HydrophobicContact CD1-CE2 4.28Å; L451-Y458 HydrophobicContact CD2-CD2 3.52Å; L451-Y458 HydrophobicContact CD2-CE2 3.7Å; L451-Y458 HydrophobicContact CD2-CG 4.11Å; L451-Y458 HydrophobicContact CG-CD2 4.46Å; L451-F461 HydrophobicContact CB-CD2 3.7Å; L451-F461 HydrophobicContact CB-CE2 3.7Å; L451-F461 HydrophobicContact CD1-CE2 4.2Å; L451-F461 WeakPolarHBondContact O-CD2 3.21Å
452L96.9Very high96.8Very high31 Ų3134.4 Ų34.416%0.16217%0.174CC..Hα-helixtrans-57.8-30.7178.5-176.160.5000112.5I380 T447 T448 N449 G454 F461 P462 L466I380-L452 HydrophobicContact CG2-CD1 3.42Å; I380-L452 VanDerWaalsContact CG2-CD1 3.42Å; T447-L452 HydrophobicContact CG2-CB 4.43Å; T448-L452 WeakPolarHBondContact O-CB 3.44Å; T448-L452 PolarHBondContact O-N 3.32Å; N449-L452 PolarHBondContact O-N 3.27Å; L452-G454 PolarHBondContact O-N 3.43Å; L452-F461 HydrophobicContact CD1-CB 4.33Å; L452-P462 WeakPolarHBondContact O-CD 3.22Å; L452-P462 WeakPolarHBondContact O-CG 3.49Å; L452-L466 HydrophobicContact CD2-CD1 3.9Å
453A95.1Very high96.7Very high68 Ų6835.4 Ų35.456%0.56218%0.181SC*.THydrogen-bonded Turntrans-76.9-3.9174.800000114N449 Y450 L451N449-A453 PolarHBondContact O-N 3.22Å; Y450-A453 PolarHBondContact O-N 2.6Å; L451-A453 PolarHBondContact O-N 2.85Å
454G95.7Very high96.7Very high16 Ų1635.3 Ų35.317%0.16518%0.182CC..THydrogen-bonded Turntrans914.8178.100000115.2L451 L452 Y458L451-G454 WeakPolarHBondContact O-CA 3.33Å; L451-G454 PolarHBondContact O-N 3.18Å; L452-G454 PolarHBondContact O-N 3.43Å; G454-Y458 PolarHBondContact O-N 3.37Å
455N94.8Very high96.7Very high23 Ų2335.1 Ų35.112%0.12319%0.19CC..G310 helixtrans-64.1164.5174.8-55-58.3000111E146 Y450 G457 Y458E146-N455 CarbonylContact O-C 3.57Å; E146-N455 WeakPolarHBondContact O-CA 3.5Å; Y450-N455 HydrophobicContact CD1-CB 4.06Å; Y450-N455 HydrophobicContact CD2-CB 3.84Å; Y450-N455 HydrophobicContact CE1-CB 3.65Å; Y450-N455 HydrophobicContact CE2-CB 3.42Å; Y450-N455 VanDerWaalsContact CE2-CB 3.42Å; Y450-N455 HydrophobicContact CG-CB 4.14Å; Y450-N455 WeakPolarHBondContact O-CB 3.2Å; Y450-N455 PolarHBondContact O-ND2 3.05Å; N455-G457 PolarHBondContact O-N 3.05Å; N455-G457 VanDerWaalsContact O-N 3.15Å; N455-Y458 WeakPolarHBondContact O-CD2 3.45Å; N455-Y458 PolarHBondContact O-N 3.18Å
456D95Very high96.6Very high4 Ų439.4 Ų39.42%0.02121%0.212CC..G310 helixtrans56.320.9-169.4-79.311.7000113.6E146 V147 N347 N393 R404 Y450 L451 Y458E146-D456 PolarHBondContact O-N 3.3Å; V147-D456 WeakPolarHBondContact CG1-OD1 3.27Å; N347-D456 PolarHBondContact ND2-OD2 3.49Å; N393-D456 PolarHBondContact ND2-O 3.43Å; R404-D456 WeakPolarHBondContact CA-OD2 3.41Å; R404-D456 HydrophobicContact CB-CB 3.82Å; R404-D456 PolarHBondContact N-OD2 3.29Å; Y450-D456 HydrophobicContact CE1-CB 4.16Å; Y450-D456 WeakPolarHBondContact CE1-OD1 3.44Å; Y450-D456 PolarHBondContact OH-OD1 3.15Å; L451-D456 HydrophobicContact CD2-CB 4Å; D456-Y458 VanDerWaalsContact C-N 3.34Å; D456-Y458 HydrophobicContact CB-CD2 3.68Å; D456-Y458 HydrophobicContact CB-CE2 3.79Å; D456-Y458 WeakPolarHBondContact O-CD2 3.45Å
457G94.8Very high96.6Very high8 Ų842 Ų428%0.08223%0.226CC..G310 helixtrans79.88.3-178.700000114.8N393 N455 R459N393-G457 VanDerWaalsContact CG-O 3.3Å; N393-G457 PolarHBondContact ND2-O 3.06Å; N393-G457 PolarHBondContact OD1-O 3.11Å; N455-G457 PolarHBondContact O-N 3.05Å; N455-G457 VanDerWaalsContact O-N 3.15Å; G457-R459 PolarHBondContact O-N 3.41Å
458Y97.1Very high96.5Very high2 Ų243.8 Ų43.81%0.00824%0.236CC..  trans-74.949.2-179.9-74.1-97.7000113.4L345 V390 N393 S394 R404 L451 G454 N455 D456 I460 F461 P462L345-Y458 HydrophobicContact CD1-CE1 4.44Å; L345-Y458 HydrophobicContact CD2-CD1 4.49Å; L345-Y458 HydrophobicContact CD2-CE1 3.58Å; V390-Y458 HydrophobicContact CG1-CD1 3.83Å; V390-Y458 HydrophobicContact CG1-CE1 3.7Å; N393-Y458 VanDerWaalsContact ND2-CD2 3.34Å; N393-Y458 WeakPolarHBondContact ND2-CD2 3.01Å; N393-Y458 PolarHBondContact ND2-N 3.32Å; S394-Y458 WeakPolarHBondContact CB-OH 3.41Å; R404-Y458 HydrophobicContact CB-CE2 4.1Å; R404-Y458 PolarHBondContact O-OH 2.99Å; L451-Y458 HydrophobicContact CD1-CE1 4.46Å; L451-Y458 HydrophobicContact CD1-CE2 4.28Å; L451-Y458 HydrophobicContact CD2-CD2 3.52Å; L451-Y458 HydrophobicContact CD2-CE2 3.7Å; L451-Y458 HydrophobicContact CD2-CG 4.11Å; L451-Y458 HydrophobicContact CG-CD2 4.46Å; G454-Y458 PolarHBondContact O-N 3.37Å; N455-Y458 WeakPolarHBondContact O-CD2 3.45Å; N455-Y458 PolarHBondContact O-N 3.18Å; D456-Y458 VanDerWaalsContact C-N 3.34Å; D456-Y458 HydrophobicContact CB-CD2 3.68Å; D456-Y458 HydrophobicContact CB-CE2 3.79Å; D456-Y458 WeakPolarHBondContact O-CD2 3.45Å; Y458-I460 PolarHBondContact O-N 3.36Å; Y458-F461 HydrophobicContact CD1-CD2 4.11Å; Y458-F461 HydrophobicContact CD1-CE1 4.34Å; Y458-F461 AromaticContact CD1-CE2 3.57Å; Y458-F461 HydrophobicContact CD1-CE2 3.57Å; Y458-F461 AromaticContact CD1-CZ 3.7Å; Y458-F461 HydrophobicContact CD1-CZ 3.7Å; Y458-F461 HydrophobicContact CE1-CE2 4.23Å; Y458-F461 HydrophobicContact CE1-CZ 4.19Å; Y458-F461 HydrophobicContact CG-CD2 4.33Å; Y458-F461 HydrophobicContact CG-CE2 4.14Å; Y458-F461 PolarHBondContact O-N 3.01Å; Y458-P462 WeakPolarHBondContact O-CD 3.38Å
459R95.3Very high96.3Very high166 Ų16645.7 Ų45.763%0.62625%0.246SC*.THydrogen-bonded Turntrans-60.3-18.6-169.8-61.7173.2-170.4179.23.7115E146 G457 P462E146-R459 IonicContact OE1-CZ 3.6Å; E146-R459 IonicContact OE1-NE 2.81Å; E146-R459 IonicContact OE1-NH2 2.92Å; E146-R459 PolarHBondContact OE1-NH2 2.62Å; G457-R459 PolarHBondContact O-N 3.41Å; R459-P462 WeakPolarHBondContact O-CD 3.5Å
460I96.6Very high96Very high19 Ų1945.8 Ų45.810%0.09725%0.246CC..THydrogen-bonded Turntrans-76.1-31.1177.9-62.6165.1000111.4Q386 E389 V390 Y458 E463 C464Q386-I460 HydrophobicContact CB-CG2 3.99Å; Q386-I460 HydrophobicContact CG-CG2 3.99Å; E389-I460 HydrophobicContact CB-CD1 3.49Å; E389-I460 VanDerWaalsContact CB-CD1 3.49Å; E389-I460 HydrophobicContact CG-CD1 3.37Å; E389-I460 WeakPolarHBondContact OE1-CD1 3.43Å; V390-I460 HydrophobicContact CG2-CB 4.15Å; V390-I460 HydrophobicContact CG2-CD1 4.06Å; V390-I460 HydrophobicContact CG2-CG2 4.3Å; Y458-I460 PolarHBondContact O-N 3.36Å; I460-E463 WeakPolarHBondContact O-CB 3.47Å; I460-E463 PolarHBondContact O-N 3.38Å; I460-C464 PolarHBondContact O-N 2.86Å
461F97.9Very high95.8Very high0 Ų051.7 Ų51.70%028%0.276CS..G310 helixtrans-61.3-41.1-175.1-72-7.4000113.7L345 I380 I382 V390 L445 T447 L451 L452 Y458 E463 C464L345-F461 HydrophobicContact CD2-CE2 4.46Å; L345-F461 HydrophobicContact CD2-CZ 4.26Å; I380-F461 HydrophobicContact CD1-CB 4.34Å; I380-F461 HydrophobicContact CD1-CD1 3.71Å; I380-F461 HydrophobicContact CD1-CE1 4.09Å; I380-F461 HydrophobicContact CD1-CG 4.05Å; I382-F461 HydrophobicContact CD1-CE1 4.14Å; V390-F461 HydrophobicContact CB-CE1 4.09Å; V390-F461 HydrophobicContact CG1-CE1 3.54Å; V390-F461 HydrophobicContact CG1-CZ 3.56Å; V390-F461 HydrophobicContact CG2-CD1 3.83Å; V390-F461 HydrophobicContact CG2-CE1 3.38Å; V390-F461 HydrophobicContact CG2-CZ 4.24Å; L445-F461 HydrophobicContact CD2-CE1 3.69Å; L445-F461 HydrophobicContact CD2-CZ 3.74Å; T447-F461 HydrophobicContact CG2-CD2 4.03Å; T447-F461 HydrophobicContact CG2-CE2 3.94Å; L451-F461 HydrophobicContact CB-CD2 3.7Å; L451-F461 HydrophobicContact CB-CE2 3.7Å; L451-F461 HydrophobicContact CD1-CE2 4.2Å; L451-F461 WeakPolarHBondContact O-CD2 3.21Å; L452-F461 HydrophobicContact CD1-CB 4.33Å; Y458-F461 HydrophobicContact CD1-CD2 4.11Å; Y458-F461 HydrophobicContact CD1-CE1 4.34Å; Y458-F461 AromaticContact CD1-CE2 3.57Å; Y458-F461 HydrophobicContact CD1-CE2 3.57Å; Y458-F461 AromaticContact CD1-CZ 3.7Å; Y458-F461 HydrophobicContact CD1-CZ 3.7Å; Y458-F461 HydrophobicContact CE1-CE2 4.23Å; Y458-F461 HydrophobicContact CE1-CZ 4.19Å; Y458-F461 HydrophobicContact CG-CD2 4.33Å; Y458-F461 HydrophobicContact CG-CE2 4.14Å; Y458-F461 PolarHBondContact O-N 3.01Å; F461-E463 PolarHBondContact O-N 3.21Å; F461-E463 VanDerWaalsContact O-N 3.14Å; F461-C464 WeakPolarHBondContact O-CB 3.34Å; F461-C464 PolarHBondContact O-N 3.42Å; F461-C464 VanDerWaalsContact O-N 3.08Å
462P96.9Very high95.5Very high74 Ų7458 Ų5848%0.48130%0.303SS..G310 helixtrans-56.5-24.1171.4-28.533.9000115.2L452 Y458 R459L452-P462 WeakPolarHBondContact O-CD 3.22Å; L452-P462 WeakPolarHBondContact O-CG 3.49Å; Y458-P462 WeakPolarHBondContact O-CD 3.38Å; R459-P462 WeakPolarHBondContact O-CD 3.5Å
463E96.9Very high95.3Very high146 Ų14657.1 Ų57.168%0.68230%0.299SS*.G310 helixtrans-87.8-14-179.7-53.6-177.9176.700112.8I460 F461I460-E463 WeakPolarHBondContact O-CB 3.47Å; I460-E463 PolarHBondContact O-N 3.38Å; F461-E463 PolarHBondContact O-N 3.21Å; F461-E463 VanDerWaalsContact O-N 3.14Å
464C98.1Very high95.2Very high10 Ų1055.8 Ų55.87%0.06829%0.285CS..SBendtrans-79.5136.6-178.4-72.20000111.7I380 E381 I460 F461 L466I380-C464 HydrophobicContact CB-CB 3.94Å; I380-C464 HydrophobicContact CD1-CB 3.71Å; I380-C464 HydrophobicContact CG1-CB 4.3Å; I380-C464 HydrophobicContact CG2-CB 4.36Å; E381-C464 WeakPolarHBondContact O-CB 3.28Å; I460-C464 PolarHBondContact O-N 2.86Å; F461-C464 WeakPolarHBondContact O-CB 3.34Å; F461-C464 PolarHBondContact O-N 3.42Å; F461-C464 VanDerWaalsContact O-N 3.08Å; C464-L466 PolarHBondContact O-N 2.76Å
465P98Very high95.2Very high69 Ų6957.9 Ų57.945%0.44829%0.292SS..PPolyproline II helixtrans-59.6127.1175-24.133.3000112.6I380 E381 L467I380-P465 CarbonylContact C-O 3.55Å; I380-P465 WeakPolarHBondContact CA-O 3.37Å; E381-P465 HydrophobicContact CB-CB 4.17Å; E381-P465 HydrophobicContact CB-CG 4.35Å; E381-P465 PolarHBondContact N-O 2.86Å; E381-P465 WeakPolarHBondContact O-CD 3.24Å; P465-L467 PolarHBondContact O-N 3.39Å
466L97.8Very high95.2Very high89 Ų8956.9 Ų56.947%0.46629%0.286SS..EExtended strand (participates in β ladder)trans-74.9121.6174.2-170.963.9000110.7I380 L452 C464 L468 D469I380-L466 HydrophobicContact CG2-CD1 4.04Å; L452-L466 HydrophobicContact CD2-CD1 3.9Å; C464-L466 PolarHBondContact O-N 2.76Å; L466-L468 VanDerWaalsContact CD1-O 3.27Å; L466-L468 WeakPolarHBondContact CD1-O 3.39Å; L466-D469 HydrophobicContact CD2-CB 3.89Å
467L97.5Very high95.3Very high54 Ų5456.9 Ų56.928%0.28329%0.286SS..EExtended strand (participates in β ladder)trans-98.4-41179.4-60.3176.4000112.1V379 E381 R444 P465V379-L467 HydrophobicContact CG1-CB 4.45Å; V379-L467 HydrophobicContact CG1-CD1 4.43Å; V379-L467 WeakPolarHBondContact O-CA 3.48Å; V379-L467 WeakPolarHBondContact O-CB 3.37Å; V379-L467 PolarHBondContact O-N 3.45Å; E381-L467 HydrophobicContact CB-CD1 3.82Å; E381-L467 HydrophobicContact CB-CD2 4.1Å; E381-L467 HydrophobicContact CB-CG 3.98Å; E381-L467 HydrophobicContact CG-CD1 4.48Å; R444-L467 HydrophobicContact CB-CD1 4.36Å; R444-L467 HydrophobicContact CG-CD1 3.75Å; P465-L467 PolarHBondContact O-N 3.39Å
468L95.3Very high95.3Very high39 Ų3960 Ų6020%0.20430%0.301CS..EExtended strand (participates in β ladder)trans-133.8124.9172.3-59.2174.7000108S378 V379 L466 K472S378-L468 WeakPolarHBondContact CA-O 3.08Å; V379-L468 HydrophobicContact CB-CB 3.96Å; V379-L468 HydrophobicContact CB-CD1 4.23Å; V379-L468 HydrophobicContact CB-CG 4.23Å; V379-L468 HydrophobicContact CG2-CB 4.18Å; V379-L468 HydrophobicContact CG2-CD1 3.93Å; V379-L468 HydrophobicContact CG2-CG 4.42Å; V379-L468 PolarHBondContact N-O 3.21Å; V379-L468 PolarHBondContact O-N 3.05Å; L466-L468 VanDerWaalsContact CD1-O 3.27Å; L466-L468 WeakPolarHBondContact CD1-O 3.39Å; L468-K472 HydrophobicContact CB-CB 4.34Å; L468-K472 HydrophobicContact CD2-CB 4.23Å; L468-K472 HydrophobicContact CD2-CD 3.9Å
469D93.9Very high95.2Very high39 Ų3960 Ų6021%0.20930%0.301CS..  trans-81176173.748.838.2000111.2L466 E471 K472 C473L466-D469 HydrophobicContact CD2-CB 3.89Å; D469-E471 PolarHBondContact O-N 2.98Å; D469-E471 PolarHBondContact OD1-N 3.43Å; D469-K472 PolarHBondContact O-N 3.19Å; D469-K472 VanDerWaalsContact O-N 3.12Å; D469-K472 WeakPolarHBondContact OD1-CD 3.43Å; D469-K472 VanDerWaalsContact OD1-CG 3.27Å; D469-K472 WeakPolarHBondContact OD1-CG 3.36Å; D469-K472 PolarHBondContact OD1-N 2.89Å; D469-K472 VanDerWaalsContact OD1-N 3.15Å; D469-K472 IonicContact OD1-NZ 3.57Å; D469-K472 IonicContact OD2-NZ 3.98Å; D469-K472 PolarHBondContact OD2-NZ 3.36Å; D469-C473 PolarHBondContact O-N 3.03Å
470D90.5Very high95.2Very high50 Ų5052.2 Ų52.227%0.26727%0.271SS..THydrogen-bonded Turntrans-68.6-16.8-179.465.2-34.4000114.2K376 L377 C473K376-D470 HydrophobicContact CB-CB 3.87Å; K376-D470 HydrophobicContact CD-CB 3.77Å; K376-D470 WeakPolarHBondContact CD-OD2 3.43Å; K376-D470 WeakPolarHBondContact CE-OD2 3.34Å; K376-D470 HydrophobicContact CG-CB 4.44Å; K376-D470 IonicContact NZ-OD2 3.2Å; K376-D470 PolarHBondContact NZ-OD2 3.43Å; L377-D470 WeakPolarHBondContact O-CA 3.47Å; D470-C473 VanDerWaalsContact O-O 3.07Å
471E90.9Very high95.2Very high178 Ų17853.6 Ų53.683%0.83228%0.277SS*.THydrogen-bonded Turntrans-74.5-29.3171.8-62.8-168.9161.500112.2D469D469-E471 PolarHBondContact O-N 2.98Å; D469-E471 PolarHBondContact OD1-N 3.43Å
472K91.1Very high94.9Very high134 Ų13457.2 Ų57.258%0.58330%0.297SS*.THydrogen-bonded Turntrans-93.2-10.7179.5-68.5167.6-167129.60113.3L468 D469L468-K472 HydrophobicContact CB-CB 4.34Å; L468-K472 HydrophobicContact CD2-CB 4.23Å; L468-K472 HydrophobicContact CD2-CD 3.9Å; D469-K472 PolarHBondContact O-N 3.19Å; D469-K472 VanDerWaalsContact O-N 3.12Å; D469-K472 WeakPolarHBondContact OD1-CD 3.43Å; D469-K472 VanDerWaalsContact OD1-CG 3.27Å; D469-K472 WeakPolarHBondContact OD1-CG 3.36Å; D469-K472 PolarHBondContact OD1-N 2.89Å; D469-K472 VanDerWaalsContact OD1-N 3.15Å; D469-K472 IonicContact OD1-NZ 3.57Å; D469-K472 IonicContact OD2-NZ 3.98Å; D469-K472 PolarHBondContact OD2-NZ 3.36Å
473C92.7Very high94.8Very high12 Ų1254.6 Ų54.68%0.08128%0.277CS..SBendtrans-108.9146-179.7-76.10000111.2L377 D469 D470L377-C473 HydrophobicContact CB-CB 4.02Å; L377-C473 WeakPolarHBondContact O-CB 3.34Å; D469-C473 PolarHBondContact O-N 3.03Å; D470-C473 VanDerWaalsContact O-O 3.07Å
474P92.3Very high94.7Very high39 Ų3947.7 Ų47.725%0.25325%0.245SC..  trans-74.2154.3176.131.3-33.8000111.3A338 L479A338-P474 HydrophobicContact CB-CG 4.04Å; P474-L479 HydrophobicContact CB-CB 4.26Å; P474-L479 HydrophobicContact CB-CD1 4.43Å; P474-L479 HydrophobicContact CG-CB 4.22Å; P474-L479 HydrophobicContact CG-CD1 3.9Å; P474-L479 HydrophobicContact CG-CD2 4.14Å; P474-L479 HydrophobicContact CG-CG 4.31Å
475I95Very high94.4Very high60 Ų6052.3 Ų52.331%0.30826%0.261SS..BIsolated β-bridgetrans-67.3134.2166.5-62.3171.9000108.6L477 I478 L479I475-L477 HydrophobicContact CG2-CB 4.45Å; I475-L477 PolarHBondContact O-N 2.88Å; I475-I478 HydrophobicContact CB-CB 4.3Å; I475-I478 HydrophobicContact CB-CG1 4.04Å; I475-I478 HydrophobicContact CG2-CG1 4.3Å; I475-I478 PolarHBondContact O-N 3.2Å; I475-I478 VanDerWaalsContact O-N 3.08Å; I475-L479 WeakPolarHBondContact O-CB 3.49Å; I475-L479 PolarHBondContact O-N 2.77Å
476L96.6Very high94.1Very high2 Ų249.2 Ų49.21%0.0124%0.241CC..Hα-helixtrans-54.7-48.6-174.3-176.661.4000112.8I331 V335 I346 T350 L371 D375 L377 I478 L479 V480I331-L476 HydrophobicContact CG2-CD1 3.81Å; I331-L476 HydrophobicContact CG2-CD2 4.28Å; I331-L476 HydrophobicContact CG2-CG 4.41Å; V335-L476 HydrophobicContact CG2-CD1 3.53Å; I346-L476 HydrophobicContact CD1-CD1 4.35Å; I346-L476 HydrophobicContact CD1-CD2 4.18Å; T350-L476 HydrophobicContact CG2-CD2 3.84Å; L371-L476 HydrophobicContact CD1-CD2 4.39Å; L371-L476 HydrophobicContact CD1-CG 4.17Å; L371-L476 HydrophobicContact CD2-CD2 4.07Å; D375-L476 HydrophobicContact CB-CB 4.16Å; D375-L476 HydrophobicContact CB-CD2 4.36Å; D375-L476 PolarHBondContact O-N 2.75Å; L377-L476 HydrophobicContact CD1-CD1 4.23Å; L377-L476 HydrophobicContact CD2-CD1 4.43Å; L377-L476 HydrophobicContact CG-CB 4.45Å; L476-I478 VanDerWaalsContact C-N 3.31Å; L476-I478 PolarHBondContact O-N 2.73Å; L476-L479 WeakPolarHBondContact O-CB 3.41Å; L476-L479 PolarHBondContact O-N 2.75Å; L476-L479 VanDerWaalsContact O-N 3.15Å; L476-V480 WeakPolarHBondContact O-CG2 3.31Å; L476-V480 PolarHBondContact O-N 3.38Å
477L95.4Very high93.8Very high5 Ų545 Ų453%0.02622%0.219CC..Hα-helixtrans-58.9-41.1178.2176.363.6000112.6Y57 L367 T368 L371 L374 I475 L479 Q481Y57-L477 HydrophobicContact CE2-CD2 4.31Å; L367-L477 HydrophobicContact CD1-CD1 4.41Å; L367-L477 HydrophobicContact CD2-CD1 3.77Å; L367-L477 HydrophobicContact CG-CD1 3.59Å; T368-L477 HydrophobicContact CG2-CD1 4.26Å; T368-L477 HydrophobicContact CG2-CD2 4.26Å; L371-L477 HydrophobicContact CB-CD1 4.18Å; L374-L477 HydrophobicContact CD2-CD2 4.06Å; I475-L477 HydrophobicContact CG2-CB 4.45Å; I475-L477 PolarHBondContact O-N 2.88Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L477-Q481 WeakPolarHBondContact O-CG 3.32Å; L477-Q481 PolarHBondContact O-N 2.73Å; L477-Q481 PolarHBondContact O-NE2 3.17Å
478I94.9Very high93.4Very high74 Ų7443.9 Ų43.938%0.37921%0.212SC..Hα-helixtrans-70.2-37.5178.5-60.8-59.8000110.4I475 L476 V480 Q481 N482I475-I478 HydrophobicContact CB-CB 4.3Å; I475-I478 HydrophobicContact CB-CG1 4.04Å; I475-I478 HydrophobicContact CG2-CG1 4.3Å; I475-I478 PolarHBondContact O-N 3.2Å; I475-I478 VanDerWaalsContact O-N 3.08Å; L476-I478 VanDerWaalsContact C-N 3.31Å; L476-I478 PolarHBondContact O-N 2.73Å; I478-V480 PolarHBondContact O-N 2.8Å; I478-Q481 PolarHBondContact O-N 2.86Å; I478-N482 WeakPolarHBondContact O-CB 3.47Å; I478-N482 PolarHBondContact O-N 3.48Å; I478-N482 PolarHBondContact O-ND2 3.3Å
479L95.4Very high93Very high2 Ų243.3 Ų43.31%0.0121%0.21CC..Hα-helixtrans-61.4-43.6177.9179.466.3000112.1I334 V335 A338 L377 P474 I475 L476 L477 N482 Y483 Q502I334-L479 HydrophobicContact CG2-CD1 4.37Å; I334-L479 HydrophobicContact CG2-CD2 3.98Å; I334-L479 HydrophobicContact CG2-CG 3.69Å; V335-L479 HydrophobicContact CB-CD2 4.39Å; V335-L479 HydrophobicContact CG2-CD2 3.98Å; A338-L479 HydrophobicContact CB-CD1 3.25Å; A338-L479 HydrophobicContact CB-CD2 4.06Å; A338-L479 HydrophobicContact CB-CG 4.32Å; L377-L479 HydrophobicContact CD1-CD2 4.14Å; P474-L479 HydrophobicContact CB-CB 4.26Å; P474-L479 HydrophobicContact CB-CD1 4.43Å; P474-L479 HydrophobicContact CG-CB 4.22Å; P474-L479 HydrophobicContact CG-CD1 3.9Å; P474-L479 HydrophobicContact CG-CD2 4.14Å; P474-L479 HydrophobicContact CG-CG 4.31Å; I475-L479 WeakPolarHBondContact O-CB 3.49Å; I475-L479 PolarHBondContact O-N 2.77Å; L476-L479 WeakPolarHBondContact O-CB 3.41Å; L476-L479 PolarHBondContact O-N 2.75Å; L476-L479 VanDerWaalsContact O-N 3.15Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L479-N482 PolarHBondContact O-N 2.75Å; L479-Y483 PolarHBondContact O-N 2.95Å; L479-Q502 VanDerWaalsContact CD1-CD 3.44Å; L479-Q502 PolarHBondContact O-OE1 2.79Å
480V96.1Very high92.7Very high2 Ų243.4 Ų43.41%0.01221%0.21CC..Hα-helixtrans-67.2-40.1176.2-177.10000111.3I331 I334 L367 L371 L476 I478 N482 Y483 F484I331-V480 HydrophobicContact CG1-CG2 4.48Å; I334-V480 HydrophobicContact CD1-CG1 4.14Å; I334-V480 HydrophobicContact CD1-CG2 4.32Å; L367-V480 HydrophobicContact CD1-CB 4.07Å; L367-V480 HydrophobicContact CD1-CG1 3.62Å; L367-V480 HydrophobicContact CD2-CB 4.2Å; L367-V480 HydrophobicContact CD2-CG1 4.08Å; L371-V480 HydrophobicContact CD1-CG2 4.04Å; L476-V480 WeakPolarHBondContact O-CG2 3.31Å; L476-V480 PolarHBondContact O-N 3.38Å; I478-V480 PolarHBondContact O-N 2.8Å; V480-N482 PolarHBondContact O-N 3.37Å; V480-Y483 WeakPolarHBondContact O-CB 3.47Å; V480-Y483 PolarHBondContact O-N 2.87Å; V480-F484 HydrophobicContact CG1-CD2 4Å; V480-F484 HydrophobicContact CG1-CE2 3.85Å; V480-F484 WeakPolarHBondContact O-CD2 3.37Å; V480-F484 PolarHBondContact O-N 2.79Å; V480-F484 VanDerWaalsContact O-N 3.12Å
481Q95.1Very high92.4Very high48 Ų4844.2 Ų44.222%0.22421%0.212CC..Hα-helixtrans-60.1-44.6174.9-73.5175.171.600112.4L306 L364 L367 L477 I478 Y483 F484 R485L306-Q481 HydrophobicContact CD1-CG 4.43Å; L306-Q481 HydrophobicContact CD2-CG 4.5Å; L364-Q481 HydrophobicContact CD1-CG 4.09Å; L367-Q481 HydrophobicContact CD2-CG 3.49Å; L367-Q481 VanDerWaalsContact CD2-CG 3.49Å; L477-Q481 WeakPolarHBondContact O-CG 3.32Å; L477-Q481 PolarHBondContact O-N 2.73Å; L477-Q481 PolarHBondContact O-NE2 3.17Å; I478-Q481 PolarHBondContact O-N 2.86Å; Q481-Y483 VanDerWaalsContact C-N 3.3Å; Q481-Y483 PolarHBondContact O-N 2.69Å; Q481-F484 PolarHBondContact O-N 2.93Å; Q481-R485 PolarHBondContact O-N 3.42Å
482N93.5Very high92.1Very high76 Ų7638.8 Ų38.841%0.40620%0.203SC..Hα-helixtrans-64.1-35.9177.9-75.5-18.7000111.9I478 L479 V480 R485 T486 Q502I478-N482 WeakPolarHBondContact O-CB 3.47Å; I478-N482 PolarHBondContact O-N 3.48Å; I478-N482 PolarHBondContact O-ND2 3.3Å; L479-N482 PolarHBondContact O-N 2.75Å; V480-N482 PolarHBondContact O-N 3.37Å; N482-R485 PolarHBondContact O-N 2.92Å; N482-T486 PolarHBondContact O-N 3.23Å; N482-T486 PolarHBondContact O-OG1 3.44Å; N482-Q502 HydrophobicContact CB-CB 4.39Å
483Y94.5Very high91.8Very high18 Ų1839.4 Ų39.47%0.07121%0.206CC..Hα-helixtrans-57.9-51.9171.1178.2-85.4000111.4F330 I334 L479 V480 Q481 R485 T486 V487 L504 I561F330-Y483 HydrophobicContact CE2-CD1 4.27Å; F330-Y483 AromaticContact CE2-CE1 3.63Å; F330-Y483 HydrophobicContact CE2-CE1 3.63Å; F330-Y483 AromaticContact CE2-CZ 3.94Å; F330-Y483 AromaticContact CZ-CD1 3.92Å; F330-Y483 HydrophobicContact CZ-CD1 3.92Å; F330-Y483 AromaticContact CZ-CE1 3.65Å; F330-Y483 HydrophobicContact CZ-CE1 3.65Å; I334-Y483 HydrophobicContact CD1-CD1 3.8Å; I334-Y483 HydrophobicContact CD1-CD2 3.98Å; I334-Y483 HydrophobicContact CD1-CE1 4.33Å; I334-Y483 HydrophobicContact CD1-CE2 4.45Å; I334-Y483 HydrophobicContact CD1-CG 3.62Å; I334-Y483 HydrophobicContact CG1-CD1 4.3Å; I334-Y483 HydrophobicContact CG1-CD2 3.58Å; I334-Y483 HydrophobicContact CG1-CE2 3.93Å; I334-Y483 HydrophobicContact CG1-CG 3.78Å; I334-Y483 HydrophobicContact CG2-CD2 4.42Å; I334-Y483 HydrophobicContact CG2-CG 4.5Å; L479-Y483 PolarHBondContact O-N 2.95Å; V480-Y483 WeakPolarHBondContact O-CB 3.47Å; V480-Y483 PolarHBondContact O-N 2.87Å; Q481-Y483 VanDerWaalsContact C-N 3.3Å; Q481-Y483 PolarHBondContact O-N 2.69Å; Y483-R485 VanDerWaalsContact C-N 3.32Å; Y483-R485 PolarHBondContact O-N 3.24Å; Y483-T486 PolarHBondContact O-N 2.81Å; Y483-V487 HydrophobicContact CD1-CG2 4.15Å; Y483-V487 HydrophobicContact CE1-CG2 3.72Å; Y483-V487 WeakPolarHBondContact O-CG2 3.27Å; Y483-V487 PolarHBondContact O-N 3.17Å; Y483-L504 HydrophobicContact CD2-CD2 3.47Å; Y483-L504 VanDerWaalsContact CD2-CD2 3.47Å; Y483-L504 HydrophobicContact CE2-CB 4.41Å; Y483-L504 HydrophobicContact CE2-CD2 3.59Å; Y483-L504 HydrophobicContact CE2-CG 4.46Å; Y483-L504 HydrophobicContact CG-CD2 4.16Å; Y483-I561 HydrophobicContact CE1-CD1 4.12Å; Y483-I561 HydrophobicContact CE1-CG1 4.37Å
484F94.2Very high91.4Very high1 Ų142.1 Ų42.10%0.00422%0.218CC..Hα-helixtrans-58.6-43.9176.9-84.6-79.5000111.8L306 I309 F330 F362 V480 Q481 T486 V487 Q488 I561L306-F484 HydrophobicContact CB-CB 4.03Å; L306-F484 HydrophobicContact CB-CD1 4.11Å; L306-F484 HydrophobicContact CB-CD2 4.34Å; L306-F484 HydrophobicContact CB-CG 3.91Å; L306-F484 HydrophobicContact CD1-CD2 4.42Å; I309-F484 HydrophobicContact CG2-CE1 4.17Å; I309-F484 HydrophobicContact CG2-CZ 4Å; F330-F484 HydrophobicContact CE1-CE2 4.13Å; F330-F484 HydrophobicContact CE1-CZ 4.24Å; F330-F484 HydrophobicContact CZ-CE2 4.29Å; F330-F484 HydrophobicContact CZ-CZ 4.26Å; F362-F484 HydrophobicContact CD1-CE1 4.14Å; F362-F484 AromaticContact CD1-CE2 3.86Å; F362-F484 HydrophobicContact CD1-CE2 3.86Å; F362-F484 AromaticContact CD1-CZ 3.53Å; F362-F484 HydrophobicContact CD1-CZ 3.53Å; F362-F484 AromaticContact CE1-CE2 3.9Å; F362-F484 HydrophobicContact CE1-CE2 3.9Å; F362-F484 AromaticContact CE1-CZ 3.96Å; F362-F484 HydrophobicContact CE1-CZ 3.96Å; F362-F484 HydrophobicContact CG-CZ 4.34Å; V480-F484 HydrophobicContact CG1-CD2 4Å; V480-F484 HydrophobicContact CG1-CE2 3.85Å; V480-F484 WeakPolarHBondContact O-CD2 3.37Å; V480-F484 PolarHBondContact O-N 2.79Å; V480-F484 VanDerWaalsContact O-N 3.12Å; Q481-F484 PolarHBondContact O-N 2.93Å; F484-T486 PolarHBondContact O-N 3.29Å; F484-V487 PolarHBondContact O-N 3.42Å; F484-Q488 WeakPolarHBondContact O-CG 3.36Å; F484-Q488 PolarHBondContact O-N 3.21Å; F484-I561 HydrophobicContact CD1-CD1 3.74Å; F484-I561 HydrophobicContact CE1-CD1 3.44Å; F484-I561 VanDerWaalsContact CE1-CD1 3.44Å; F484-I561 HydrophobicContact CZ-CD1 4.21Å
485R92Very high91Very high108 Ų10848.8 Ų48.841%0.40825%0.246SC..Hα-helixtrans-57.6-45.9175.5176.957.4-176-16012.2112Q481 N482 Y483 V487 Q488 V489 E494 Q495Q481-R485 PolarHBondContact O-N 3.42Å; N482-R485 PolarHBondContact O-N 2.92Å; Y483-R485 VanDerWaalsContact C-N 3.32Å; Y483-R485 PolarHBondContact O-N 3.24Å; R485-V487 VanDerWaalsContact C-N 3.34Å; R485-V487 PolarHBondContact O-N 3.37Å; R485-Q488 PolarHBondContact O-N 3.32Å; R485-V489 WeakPolarHBondContact O-CG2 3.46Å; R485-V489 PolarHBondContact O-N 2.89Å; R485-E494 WeakPolarHBondContact CD-OE2 3.35Å; R485-E494 IonicContact CZ-OE1 3.88Å; R485-E494 IonicContact CZ-OE2 3.76Å; R485-E494 IonicContact NE-OE2 2.66Å; R485-E494 PolarHBondContact NE-OE2 3.36Å; R485-E494 IonicContact NH1-OE1 3.28Å; R485-E494 PolarHBondContact NH1-OE1 3.45Å; R485-E494 IonicContact NH1-OE2 2.71Å; R485-E494 PolarHBondContact NH1-OE2 3.12Å; R485-Q495 PolarHBondContact NH2-O 3.21Å; R485-Q495 VanDerWaalsContact NH2-O 3.1Å
486T91.2Very high90.5Very high4 Ų448.6 Ų48.63%0.02525%0.249CC..Hα-helixtrans-61.5-43.1176.5-70.70000111.3N482 Y483 F484 Q488 V489 L490 R501 Q502 L504N482-T486 PolarHBondContact O-N 3.23Å; N482-T486 PolarHBondContact O-OG1 3.44Å; Y483-T486 PolarHBondContact O-N 2.81Å; F484-T486 PolarHBondContact O-N 3.29Å; T486-Q488 PolarHBondContact O-N 2.86Å; T486-V489 PolarHBondContact O-N 3.16Å; T486-L490 HydrophobicContact CG2-CD1 3.88Å; T486-L490 HydrophobicContact CG2-CG 4.36Å; T486-L490 WeakPolarHBondContact O-CG 3.37Å; T486-L490 PolarHBondContact O-N 3.06Å; T486-R501 HydrophobicContact CG2-CG 4.24Å; T486-Q502 WeakPolarHBondContact CG2-O 3.19Å; T486-Q502 PolarHBondContact OG1-O 2.87Å; T486-Q502 VanDerWaalsContact OG1-O 3.06Å; T486-L504 HydrophobicContact CG2-CD1 3.98Å; T486-L504 HydrophobicContact CG2-CD2 3.44Å; T486-L504 VanDerWaalsContact CG2-CD2 3.44Å; T486-L504 HydrophobicContact CG2-CG 3.55Å
487V91Very high89.8Confident1 Ų160.4 Ų60.41%0.00629%0.294CS..Hα-helixtrans-60.4-44.4176.6172.80000111.2Y483 F484 R485 V489 L490 K491 L504 A558 I561Y483-V487 HydrophobicContact CD1-CG2 4.15Å; Y483-V487 HydrophobicContact CE1-CG2 3.72Å; Y483-V487 WeakPolarHBondContact O-CG2 3.27Å; Y483-V487 PolarHBondContact O-N 3.17Å; F484-V487 PolarHBondContact O-N 3.42Å; R485-V487 VanDerWaalsContact C-N 3.34Å; R485-V487 PolarHBondContact O-N 3.37Å; V487-V489 VanDerWaalsContact C-N 3.32Å; V487-V489 PolarHBondContact O-N 3.37Å; V487-L490 PolarHBondContact O-N 3.18Å; V487-K491 HydrophobicContact CG1-CD 4.24Å; V487-K491 HydrophobicContact CG1-CG 4.36Å; V487-K491 WeakPolarHBondContact O-CB 3.48Å; V487-K491 WeakPolarHBondContact O-CG 3.43Å; V487-K491 PolarHBondContact O-N 2.67Å; V487-L504 HydrophobicContact CG2-CD1 3.82Å; V487-L504 HydrophobicContact CG2-CD2 4.3Å; V487-A558 HydrophobicContact CG1-CB 4.46Å; V487-I561 HydrophobicContact CG1-CD1 4.19Å; V487-I561 HydrophobicContact CG1-CG1 4.47Å; V487-I561 HydrophobicContact CG2-CD1 4.36Å
488Q89.3Confident89.2Confident30 Ų3063.9 Ų63.914%0.1432%0.315CS..Hα-helixtrans-62-38.8177.3-66.5-55.2-28.400112.8L306 F484 R485 T486 G492 F493 E494L306-Q488 PolarHBondContact O-NE2 3.11Å; L306-Q488 VanDerWaalsContact O-NE2 3.08Å; F484-Q488 WeakPolarHBondContact O-CG 3.36Å; F484-Q488 PolarHBondContact O-N 3.21Å; R485-Q488 PolarHBondContact O-N 3.32Å; T486-Q488 PolarHBondContact O-N 2.86Å; Q488-G492 PolarHBondContact O-N 3.06Å; Q488-F493 HydrophobicContact CB-CB 4.48Å; Q488-F493 PolarHBondContact O-N 3.36Å; Q488-F493 VanDerWaalsContact OE1-CB 3.24Å; Q488-E494 HydrophobicContact CB-CB 4.13Å; Q488-E494 HydrophobicContact CB-CG 3.86Å; Q488-E494 WeakPolarHBondContact CB-OE2 3.43Å; Q488-E494 PolarHBondContact O-N 3.4Å
489V88.3Confident88.2Confident27 Ų2771 Ų7116%0.16434%0.337CS..Hα-helixtrans-63.5-47.31751670000111.2R485 T486 V487 K491 G492 E494R485-V489 WeakPolarHBondContact O-CG2 3.46Å; R485-V489 PolarHBondContact O-N 2.89Å; T486-V489 PolarHBondContact O-N 3.16Å; V487-V489 VanDerWaalsContact C-N 3.32Å; V487-V489 PolarHBondContact O-N 3.37Å; V489-K491 VanDerWaalsContact C-N 3.33Å; V489-K491 PolarHBondContact O-N 2.73Å; V489-G492 PolarHBondContact O-N 2.99Å; V489-E494 WeakPolarHBondContact CA-O 2.87Å; V489-E494 HydrophobicContact CG2-CB 4.24Å
490L86.7Confident87.3Confident40 Ų4078.9 Ų78.921%0.20937%0.374CS..Hα-helixtrans-68.2-32.2-178.9-71.2173.2000112.6T486 V487 G492 L504 E554 A558T486-L490 HydrophobicContact CG2-CD1 3.88Å; T486-L490 HydrophobicContact CG2-CG 4.36Å; T486-L490 WeakPolarHBondContact O-CG 3.37Å; T486-L490 PolarHBondContact O-N 3.06Å; V487-L490 PolarHBondContact O-N 3.18Å; L490-G492 PolarHBondContact O-N 3.23Å; L490-L504 HydrophobicContact CD1-CD1 3.59Å; L490-L504 HydrophobicContact CD1-CG 4.26Å; L490-E554 HydrophobicContact CD1-CB 3.84Å; L490-A558 HydrophobicContact CB-CB 3.74Å; L490-A558 HydrophobicContact CD1-CB 3.82Å; L490-A558 HydrophobicContact CG-CB 4.46Å
491K85.3Confident86.6Confident68 Ų6882.8 Ų82.830%0.29639%0.389SS..THydrogen-bonded Turntrans-75.6-6.6171.1-69.7-167.1179.8-165.40113.7V487 V489 F493 A558 Y559V487-K491 HydrophobicContact CG1-CD 4.24Å; V487-K491 HydrophobicContact CG1-CG 4.36Å; V487-K491 WeakPolarHBondContact O-CB 3.48Å; V487-K491 WeakPolarHBondContact O-CG 3.43Å; V487-K491 PolarHBondContact O-N 2.67Å; V489-K491 VanDerWaalsContact C-N 3.33Å; V489-K491 PolarHBondContact O-N 2.73Å; K491-F493 VanDerWaalsContact C-N 3.3Å; K491-F493 HydrophobicContact CB-CD2 3.48Å; K491-F493 VanDerWaalsContact CB-CD2 3.48Å; K491-F493 HydrophobicContact CB-CE2 3.7Å; K491-F493 HydrophobicContact CD-CD2 4.14Å; K491-F493 HydrophobicContact CD-CE2 3.81Å; K491-F493 HydrophobicContact CG-CD2 4.46Å; K491-F493 HydrophobicContact CG-CE2 4.4Å; K491-F493 PolarHBondContact O-N 3.22Å; K491-A558 WeakPolarHBondContact CE-O 3.3Å; K491-Y559 WeakPolarHBondContact CE-O 3.28Å; K491-Y559 PolarHBondContact NZ-O 2.7Å
492G84.3Confident86.2Confident63 Ų6382 Ų8265%0.64939%0.385SS*.THydrogen-bonded Turntrans779.3-179.600000115.2Q488 V489 L490 E494Q488-G492 PolarHBondContact O-N 3.06Å; V489-G492 PolarHBondContact O-N 2.99Å; L490-G492 PolarHBondContact O-N 3.23Å; G492-E494 VanDerWaalsContact C-N 3.33Å
493F84.9Confident85.8Confident147 Ų14779.2 Ų79.265%0.64537%0.371SS*.SBendtrans-75.7-24.4175.8-68.9-61.8000112.6Q488 K491Q488-F493 HydrophobicContact CB-CB 4.48Å; Q488-F493 PolarHBondContact O-N 3.36Å; Q488-F493 VanDerWaalsContact OE1-CB 3.24Å; K491-F493 VanDerWaalsContact C-N 3.3Å; K491-F493 HydrophobicContact CB-CD2 3.48Å; K491-F493 VanDerWaalsContact CB-CD2 3.48Å; K491-F493 HydrophobicContact CB-CE2 3.7Å; K491-F493 HydrophobicContact CD-CD2 4.14Å; K491-F493 HydrophobicContact CD-CE2 3.81Å; K491-F493 HydrophobicContact CG-CD2 4.46Å; K491-F493 HydrophobicContact CG-CE2 4.4Å; K491-F493 PolarHBondContact O-N 3.22Å
494E83.8Confident85.6Confident70 Ų7078.6 Ų78.633%0.32737%0.369SS..SBendtrans-129.7137.3178-68-169.9127.600112R485 Q488 V489 G492 S496R485-E494 WeakPolarHBondContact CD-OE2 3.35Å; R485-E494 IonicContact CZ-OE1 3.88Å; R485-E494 IonicContact CZ-OE2 3.76Å; R485-E494 IonicContact NE-OE2 2.66Å; R485-E494 PolarHBondContact NE-OE2 3.36Å; R485-E494 IonicContact NH1-OE1 3.28Å; R485-E494 PolarHBondContact NH1-OE1 3.45Å; R485-E494 IonicContact NH1-OE2 2.71Å; R485-E494 PolarHBondContact NH1-OE2 3.12Å; Q488-E494 HydrophobicContact CB-CB 4.13Å; Q488-E494 HydrophobicContact CB-CG 3.86Å; Q488-E494 WeakPolarHBondContact CB-OE2 3.43Å; Q488-E494 PolarHBondContact O-N 3.4Å; V489-E494 WeakPolarHBondContact CA-O 2.87Å; V489-E494 HydrophobicContact CG2-CB 4.24Å; G492-E494 VanDerWaalsContact C-N 3.33Å; E494-S496 PolarHBondContact O-N 3.06Å
495Q83.5Confident85.2Confident179 Ų17978.6 Ų78.684%0.83637%0.369SS*.  trans-77.5127.5174.8-68.1-178.6-1.900110.1R485R485-Q495 PolarHBondContact NH2-O 3.21Å; R485-Q495 VanDerWaalsContact NH2-O 3.1Å
496S83.7Confident85Confident55 Ų5574.8 Ų74.839%0.38536%0.358SS..  trans-86.4133.7165.6-171.10000110.4E494 T498E494-S496 PolarHBondContact O-N 3.06Å; S496-T498 VanDerWaalsContact C-N 3.3Å; S496-T498 WeakPolarHBondContact CB-O 3.4Å; S496-T498 PolarHBondContact OG-N 3.43Å; S496-T498 PolarHBondContact OG-O 3.18Å
497R82.6Confident84.7Confident250 Ų25076 Ų7694%0.94336%0.363SS*.SBendtrans-80.3-14.4174.4-62.9-178.8-177.4176.50.6112.6
498T82.6Confident84.4Confident79 Ų7977.9 Ų77.949%0.48537%0.372SS..SBendtrans-141.7169.4-177.786.70000111.1S496 H500S496-T498 VanDerWaalsContact C-N 3.3Å; S496-T498 WeakPolarHBondContact CB-O 3.4Å; S496-T498 PolarHBondContact OG-N 3.43Å; S496-T498 PolarHBondContact OG-O 3.18Å; T498-H500 VanDerWaalsContact C-N 3.3Å; T498-H500 PolarHBondContact OG1-N 3.49Å; T498-H500 PolarHBondContact OG1-O 3.17Å
499R75.2Confident84.2Confident222 Ų22279 Ų7984%0.83838%0.378SS*.SBendtrans-83-8.9170.2-64.4-173.6-178.8-173.7-0.4113.2
500H76.2Confident84.1Confident168 Ų16880.5 Ų80.578%0.77838%0.38SS*.  trans-85.9119.1-178.3-58.9-67.1000109.8T498T498-H500 VanDerWaalsContact C-N 3.3Å; T498-H500 PolarHBondContact OG1-N 3.49Å; T498-H500 PolarHBondContact OG1-O 3.17Å
501R81.3Confident83.9Confident85 Ų8583.7 Ų83.732%0.32139%0.389SS..  trans-146.4161.1177.964-168-177.7-109.8-4.6109.2T486 C503 E554T486-R501 HydrophobicContact CG2-CG 4.24Å; R501-C503 PolarHBondContact O-N 2.98Å; R501-E554 IonicContact CZ-OE2 3.5Å; R501-E554 IonicContact NE-OE2 3.37Å; R501-E554 PolarHBondContact NE-OE2 2.95Å; R501-E554 IonicContact NH2-OE2 2.77Å; R501-E554 PolarHBondContact NH2-OE2 3.13Å
502Q85.5Confident83.7Confident31 Ų3185 Ų8515%0.14540%0.395CS..  trans-60.5133.1168.5174.6178.2-22.700108.7T337 L479 N482 T486T337-Q502 PolarHBondContact OG1-NE2 3.05Å; T337-Q502 VanDerWaalsContact OG1-NE2 3.16Å; L479-Q502 VanDerWaalsContact CD1-CD 3.44Å; L479-Q502 PolarHBondContact O-OE1 2.79Å; N482-Q502 HydrophobicContact CB-CB 4.39Å; T486-Q502 WeakPolarHBondContact CG2-O 3.19Å; T486-Q502 PolarHBondContact OG1-O 2.87Å; T486-Q502 VanDerWaalsContact OG1-O 3.06Å
503C86.7Confident83.5Confident17 Ų1783.2 Ų83.212%0.11537%0.371CS..  trans-70.2143.2175.9-172.20000110.3T337 R501 I505 R510 E554T337-C503 WeakPolarHBondContact CB-O 3.4Å; T337-C503 PolarHBondContact OG1-O 3.32Å; R501-C503 PolarHBondContact O-N 2.98Å; C503-I505 PolarHBondContact SG-N 3.39Å; C503-I505 VanDerWaalsContact SG-N 3.35Å; C503-R510 VanDerWaalsContact SG-CD 3.53Å; C503-E554 WeakPolarHBondContact CA-OE1 3.47Å; C503-E554 PolarHBondContact SG-OE1 3.47Å
504L88.5Confident83.1Confident6 Ų678.7 Ų78.73%0.03135%0.353CS..SBendtrans-88.8-5.3174.2-57.9-170.6000113.4T337 Y483 T486 V487 L490 E554 A558T337-L504 WeakPolarHBondContact CG2-O 3.46Å; Y483-L504 HydrophobicContact CD2-CD2 3.47Å; Y483-L504 VanDerWaalsContact CD2-CD2 3.47Å; Y483-L504 HydrophobicContact CE2-CB 4.41Å; Y483-L504 HydrophobicContact CE2-CD2 3.59Å; Y483-L504 HydrophobicContact CE2-CG 4.46Å; Y483-L504 HydrophobicContact CG-CD2 4.16Å; T486-L504 HydrophobicContact CG2-CD1 3.98Å; T486-L504 HydrophobicContact CG2-CD2 3.44Å; T486-L504 VanDerWaalsContact CG2-CD2 3.44Å; T486-L504 HydrophobicContact CG2-CG 3.55Å; V487-L504 HydrophobicContact CG2-CD1 3.82Å; V487-L504 HydrophobicContact CG2-CD2 4.3Å; L490-L504 HydrophobicContact CD1-CD1 3.59Å; L490-L504 HydrophobicContact CD1-CG 4.26Å; L504-E554 HydrophobicContact CB-CG 4.21Å; L504-E554 PolarHBondContact N-OE1 3.47Å; L504-A558 HydrophobicContact CD1-CB 3.98Å
505I87.5Confident82.8Confident0 Ų083.8 Ų83.80%037%0.369CS..SBendtrans-107.6129.8-173.2-59.8164.8000109.7C503 E509 R510 L513 I550 R553 E554 I557C503-I505 PolarHBondContact SG-N 3.39Å; C503-I505 VanDerWaalsContact SG-N 3.35Å; I505-E509 HydrophobicContact CG2-CB 3.65Å; I505-E509 HydrophobicContact CG2-CG 3.64Å; I505-R510 HydrophobicContact CB-CG 4.03Å; I505-R510 HydrophobicContact CG2-CG 3.86Å; I505-R510 PolarHBondContact O-NE 3.1Å; I505-R510 VanDerWaalsContact O-NE 3.17Å; I505-L513 HydrophobicContact CD1-CD1 4.44Å; I505-I550 HydrophobicContact CD1-CG2 4.01Å; I505-I550 WeakPolarHBondContact CD1-O 3.32Å; I505-R553 HydrophobicContact CD1-CB 3.52Å; I505-R553 HydrophobicContact CD1-CG 3.38Å; I505-R553 HydrophobicContact CG1-CG 3.96Å; I505-E554 HydrophobicContact CD1-CG 3.71Å; I505-E554 HydrophobicContact CG1-CG 3.99Å; I505-I557 HydrophobicContact CG1-CD1 3.77Å
506P87.5Confident82.3Confident28 Ų2880.4 Ų80.418%0.18235%0.353CS..  trans-49142.4174.1-31.337.9000112.8L336 M508 E509 R510L336-P506 HydrophobicContact CB-CB 4.07Å; L336-P506 HydrophobicContact CB-CG 4.38Å; L336-P506 WeakPolarHBondContact O-CA 3.4Å; P506-M508 PolarHBondContact O-N 3.08Å; P506-E509 HydrophobicContact CB-CB 4.38Å; P506-E509 PolarHBondContact O-N 3.09Å; P506-R510 PolarHBondContact O-N 2.79Å
507F85.1Confident81.6Confident31 Ų3178.2 Ų78.214%0.13634%0.338CS..Hα-helixtrans-56.4-37.9-177.1-176.8-102000113.3L336 E340 R510 R511L336-F507 PolarHBondContact O-N 3.31Å; E340-F507 HydrophobicContact CB-CD1 4.02Å; E340-F507 HydrophobicContact CB-CE1 3.9Å; E340-F507 HydrophobicContact CB-CG 4.47Å; E340-F507 HydrophobicContact CB-CZ 4.34Å; E340-F507 VanDerWaalsContact CD-CE1 3.44Å; E340-F507 HydrophobicContact CG-CD1 3.85Å; E340-F507 HydrophobicContact CG-CD2 3.93Å; E340-F507 HydrophobicContact CG-CE1 3.52Å; E340-F507 HydrophobicContact CG-CE2 3.67Å; E340-F507 HydrophobicContact CG-CG 4.01Å; E340-F507 HydrophobicContact CG-CZ 3.46Å; E340-F507 VanDerWaalsContact CG-CZ 3.46Å; E340-F507 WeakPolarHBondContact OE1-CE2 3.49Å; E340-F507 WeakPolarHBondContact OE1-CZ 3.25Å; E340-F507 WeakPolarHBondContact OE2-CE1 3.43Å; E340-F507 WeakPolarHBondContact OE2-CZ 3.44Å; F507-R510 WeakPolarHBondContact O-CB 3.36Å; F507-R510 PolarHBondContact O-N 2.94Å; F507-R511 HydrophobicContact CE1-CG 4.28Å; F507-R511 VanDerWaalsContact CE1-NH2 3.3Å; F507-R511 HydrophobicContact CZ-CG 4.47Å; F507-R511 PolarHBondContact O-N 3.31Å
508M84.8Confident80.7Confident39 Ų3967 Ų6719%0.19230%0.299CS..Hα-helixtrans-68.6-36.7177.5-66.8-55.6-75.400113.2Q433 P506 R511 K512Q433-M508 HydrophobicContact CG-CG 4.41Å; P506-M508 PolarHBondContact O-N 3.08Å; M508-R511 PolarHBondContact O-N 3.09Å; M508-K512 WeakPolarHBondContact O-CG 3.18Å; M508-K512 PolarHBondContact O-N 2.96Å; M508-K512 VanDerWaalsContact O-N 3.11Å
509E85.1Confident79.6Confident55 Ų5566.9 Ų66.926%0.25730%0.301SS..Hα-helixtrans-67.8-40.4173.9-177.1175.8174.300110.7I505 P506 R511 K512 L513 R553I505-E509 HydrophobicContact CG2-CB 3.65Å; I505-E509 HydrophobicContact CG2-CG 3.64Å; P506-E509 HydrophobicContact CB-CB 4.38Å; P506-E509 PolarHBondContact O-N 3.09Å; E509-R511 VanDerWaalsContact C-N 3.32Å; E509-R511 PolarHBondContact O-N 2.96Å; E509-K512 WeakPolarHBondContact O-CB 3.45Å; E509-K512 PolarHBondContact O-N 2.97Å; E509-L513 HydrophobicContact CG-CD1 4.35Å; E509-L513 WeakPolarHBondContact O-CG 3.48Å; E509-L513 PolarHBondContact O-N 2.91Å; E509-R553 IonicContact OE1-CZ 3.88Å; E509-R553 IonicContact OE1-NE 2.76Å; E509-R553 PolarHBondContact OE1-NE 3.02Å; E509-R553 IonicContact OE1-NH2 2.71Å; E509-R553 PolarHBondContact OE1-NH2 3.01Å
510R84.4Confident78.6Confident58 Ų5862.6 Ų62.622%0.21930%0.295CS..Hα-helixtrans-55.9-45.9172.1-71.4-173.6-88167.11.8112T337 C503 I505 P506 F507 K512 L513 I514 I550T337-R510 PolarHBondContact O-NH2 3.4Å; C503-R510 VanDerWaalsContact SG-CD 3.53Å; I505-R510 HydrophobicContact CB-CG 4.03Å; I505-R510 HydrophobicContact CG2-CG 3.86Å; I505-R510 PolarHBondContact O-NE 3.1Å; I505-R510 VanDerWaalsContact O-NE 3.17Å; P506-R510 PolarHBondContact O-N 2.79Å; F507-R510 WeakPolarHBondContact O-CB 3.36Å; F507-R510 PolarHBondContact O-N 2.94Å; R510-K512 VanDerWaalsContact C-N 3.31Å; R510-K512 PolarHBondContact O-N 2.94Å; R510-L513 PolarHBondContact O-N 3.35Å; R510-I514 WeakPolarHBondContact O-CB 3.42Å; R510-I514 WeakPolarHBondContact O-CD1 3.19Å; R510-I514 WeakPolarHBondContact O-CG1 3.32Å; R510-I514 PolarHBondContact O-N 3.34Å; R510-I550 HydrophobicContact CG-CD1 4.34Å
511R82.6Confident77.3Confident106 Ų10659.5 Ų59.540%0.428%0.284SS..Hα-helixtrans-60.3-38.7175.8-76.8-174.8170.8-179.12.8112.2E340 F507 M508 E509 R515E340-R511 IonicContact OE2-NH2 3.51Å; E340-R511 PolarHBondContact OE2-NH2 3.45Å; F507-R511 HydrophobicContact CE1-CG 4.28Å; F507-R511 VanDerWaalsContact CE1-NH2 3.3Å; F507-R511 HydrophobicContact CZ-CG 4.47Å; F507-R511 PolarHBondContact O-N 3.31Å; M508-R511 PolarHBondContact O-N 3.09Å; E509-R511 VanDerWaalsContact C-N 3.32Å; E509-R511 PolarHBondContact O-N 2.96Å; R511-R515 WeakPolarHBondContact O-CG 3.46Å; R511-R515 PolarHBondContact O-N 2.92Å; R511-R515 VanDerWaalsContact O-N 3.17Å
512K82.8Confident75.4Confident96 Ų9657.9 Ų57.942%0.41728%0.282SS..Hα-helixtrans-65.5-48176.2-71.2176.6-178.3177.90111.5M508 E509 R510 I514 R515 Q516M508-K512 WeakPolarHBondContact O-CG 3.18Å; M508-K512 PolarHBondContact O-N 2.96Å; M508-K512 VanDerWaalsContact O-N 3.11Å; E509-K512 WeakPolarHBondContact O-CB 3.45Å; E509-K512 PolarHBondContact O-N 2.97Å; R510-K512 VanDerWaalsContact C-N 3.31Å; R510-K512 PolarHBondContact O-N 2.94Å; K512-I514 VanDerWaalsContact C-N 3.33Å; K512-I514 PolarHBondContact O-N 3.4Å; K512-R515 PolarHBondContact O-N 3.06Å; K512-R515 VanDerWaalsContact O-N 3.13Å; K512-Q516 WeakPolarHBondContact O-CG 3.37Å; K512-Q516 PolarHBondContact O-N 3.4Å
513L79Confident73.4Confident26 Ų2664.5 Ų64.514%0.13632%0.318CS..Hα-helixtrans-59.9-42177.6-68.1171.9000112.1I505 E509 R510 R515 Q516 S517 R553I505-L513 HydrophobicContact CD1-CD1 4.44Å; E509-L513 HydrophobicContact CG-CD1 4.35Å; E509-L513 WeakPolarHBondContact O-CG 3.48Å; E509-L513 PolarHBondContact O-N 2.91Å; R510-L513 PolarHBondContact O-N 3.35Å; L513-R515 VanDerWaalsContact C-N 3.29Å; L513-R515 PolarHBondContact O-N 3.19Å; L513-Q516 PolarHBondContact O-N 3.13Å; L513-S517 PolarHBondContact O-N 3.1Å; L513-R553 HydrophobicContact CD1-CB 4.39Å; L513-R553 HydrophobicContact CD1-CG 4.29Å
514I77.1Confident71.2Confident52 Ų5271.4 Ų71.427%0.26735%0.354SS..Hα-helixtrans-63.3-32.7177-75.7169.3000112.5R510 K512 S517 A518 R546 I550R510-I514 WeakPolarHBondContact O-CB 3.42Å; R510-I514 WeakPolarHBondContact O-CD1 3.19Å; R510-I514 WeakPolarHBondContact O-CG1 3.32Å; R510-I514 PolarHBondContact O-N 3.34Å; K512-I514 VanDerWaalsContact C-N 3.33Å; K512-I514 PolarHBondContact O-N 3.4Å; I514-S517 PolarHBondContact O-OG 3.02Å; I514-A518 PolarHBondContact O-N 2.61Å; I514-R546 HydrophobicContact CG1-CG 4.45Å; I514-R546 VanDerWaalsContact CG2-CZ 3.45Å; I514-I550 HydrophobicContact CD1-CD1 4.38Å; I514-I550 HydrophobicContact CG1-CD1 4.4Å
515R77.3Confident68.7Low176 Ų17676 Ų7666%0.66439%0.385SS*.Hα-helixtrans-75.9-41.7175.2-73.1173.8-1761741.2111.5R511 K512 L513 S517 A518 S519R511-R515 WeakPolarHBondContact O-CG 3.46Å; R511-R515 PolarHBondContact O-N 2.92Å; R511-R515 VanDerWaalsContact O-N 3.17Å; K512-R515 PolarHBondContact O-N 3.06Å; K512-R515 VanDerWaalsContact O-N 3.13Å; L513-R515 VanDerWaalsContact C-N 3.29Å; L513-R515 PolarHBondContact O-N 3.19Å; R515-S517 VanDerWaalsContact C-N 3.33Å; R515-S517 PolarHBondContact O-N 2.91Å; R515-A518 WeakPolarHBondContact O-CB 3.33Å; R515-A518 PolarHBondContact O-N 3.34Å; R515-A518 VanDerWaalsContact O-N 3.13Å; R515-S519 PolarHBondContact O-N 3.27Å; R515-S519 PolarHBondContact O-OG 3.38Å
516Q73.2Confident66.1Low108 Ų10879.5 Ų79.551%0.50540%0.404SS..Hα-helixtrans-62.7-38.8176.6-71.7173-9.100112.2K512 L513 A518 S519 N520K512-Q516 WeakPolarHBondContact O-CG 3.37Å; K512-Q516 PolarHBondContact O-N 3.4Å; L513-Q516 PolarHBondContact O-N 3.13Å; Q516-A518 PolarHBondContact O-N 3.5Å; Q516-S519 WeakPolarHBondContact CA-OG 3.46Å; Q516-S519 PolarHBondContact O-N 2.97Å; Q516-S519 PolarHBondContact O-OG 3.17Å; Q516-N520 PolarHBondContact O-N 2.99Å; Q516-N520 VanDerWaalsContact O-N 3.13Å
517S67.8Low63.7Low9 Ų987.3 Ų87.36%0.06344%0.438CS..Hα-helixtrans-65.3-31.1175.279.80000112.4L513 I514 R515 R546L513-S517 PolarHBondContact O-N 3.1Å; I514-S517 PolarHBondContact O-OG 3.02Å; R515-S517 VanDerWaalsContact C-N 3.33Å; R515-S517 PolarHBondContact O-N 2.91Å; S517-R546 VanDerWaalsContact OG-CG 3.3Å; S517-R546 WeakPolarHBondContact OG-CG 3.44Å
518A65Low61.1Low15 Ų1594.5 Ų94.512%0.12447%0.472CS..Hα-helixtrans-77.7-34.6178.200000112.4I514 R515 Q516 W542I514-A518 PolarHBondContact O-N 2.61Å; R515-A518 WeakPolarHBondContact O-CB 3.33Å; R515-A518 PolarHBondContact O-N 3.34Å; R515-A518 VanDerWaalsContact O-N 3.13Å; Q516-A518 PolarHBondContact O-N 3.5Å; A518-W542 HydrophobicContact CB-CH2 3.64Å; A518-W542 HydrophobicContact CB-CZ2 3.69Å
519S59.4Low58.5Low76 Ų7699.3 Ų99.353%0.53150%0.498SS..Hα-helixtrans-72.3-34.7176.456.20000113R515 Q516 N521R515-S519 PolarHBondContact O-N 3.27Å; R515-S519 PolarHBondContact O-OG 3.38Å; Q516-S519 WeakPolarHBondContact CA-OG 3.46Å; Q516-S519 PolarHBondContact O-N 2.97Å; Q516-S519 PolarHBondContact O-OG 3.17Å; S519-N521 VanDerWaalsContact C-N 3.29Å; S519-N521 PolarHBondContact O-N 3.27Å
520N54.4Low56.2Low133 Ų133104 Ų10471%0.71152%0.524SS*.THydrogen-bonded Turntrans-74-16.6-176.3-72.9-3.5000114.2Q516Q516-N520 PolarHBondContact O-N 2.99Å; Q516-N520 VanDerWaalsContact O-N 3.13Å
521N47.4Very low53.8Low103 Ų103109.2 Ų109.255%0.55156%0.556SS**THydrogen-bonded Turntrans-111.51.3-171.8-82.9-13.1000115.3S519S519-N521 VanDerWaalsContact C-N 3.29Å; S519-N521 PolarHBondContact O-N 3.27Å
522D42.8Very low51.3Low51 Ų51106.7 Ų106.727%0.27355%0.554SS.*  trans-142.382.1-176.3-87.6-50.7000112.8N524 N526D522-N524 PolarHBondContact O-N 3.26Å; D522-N526 HydrophobicContact CB-CB 4.45Å; D522-N526 WeakPolarHBondContact CB-ND2 3.44Å; D522-N526 PolarHBondContact O-ND2 3.47Å
523D43.6Very low49.1Very low169 Ų169107.9 Ų107.990%0.90458%0.575SS**SBendtrans-77.114.5155-108.9-9.5000112.2
524N39.4Very low46.8Very low162 Ų162113.2 Ų113.287%0.86660%0.603SS**SBendtrans-152.96.5176.2-103.4-29.5000120.5D522D522-N524 PolarHBondContact O-N 3.26Å
525C35.9Very low44.9Very low102 Ų102115.9 Ų115.969%0.68962%0.622SS**  trans-15050.8-179.3-149.70000116.3
526N33.2Very low43Very low75 Ų75116.9 Ų116.940%0.40163%0.631SS.*  trans-116.616.7-159-109.5-20.5000119.6D522D522-N526 HydrophobicContact CB-CB 4.45Å; D522-N526 WeakPolarHBondContact CB-ND2 3.44Å; D522-N526 PolarHBondContact O-ND2 3.47Å
527Q36.7Very low41.3Very low191 Ų191116.1 Ų116.189%0.89363%0.63SS**SBendtrans-111.5-13179.2-77.6-165.9-9.500118
528H31.6Very low40Very low183 Ų183121.7 Ų121.785%0.84766%0.664SS**SBendtrans-100.7-9.1-170.9-99-71000117.7
529L30.3Very low38.5Very low140 Ų140126.4 Ų126.473%0.73369%0.691SS**SBendtrans-114.4-7.6-170.3-78.5158.7000116.2N531 S532L529-N531 PolarHBondContact O-N 2.92Å; L529-N531 VanDerWaalsContact O-N 3.09Å; L529-S532 PolarHBondContact O-N 3.47Å
530L35.5Very low37.6Very low154 Ų154124.7 Ų124.781%0.80668%0.679SS**THydrogen-bonded Turntrans-67-10.2178.7-76.8166.7000114
531N35Very low36.9Very low166 Ų166123.5 Ų123.589%0.88868%0.679SS**THydrogen-bonded Turntrans-111.94.4-178.8-74.9-11.5000115.3L529L529-N531 PolarHBondContact O-N 2.92Å; L529-N531 VanDerWaalsContact O-N 3.09Å
532S29.4Very low36.3Very low53 Ų53122.6 Ų122.637%0.37167%0.668SS.*  trans-102.1109.7179.665.20000112L529 N534L529-S532 PolarHBondContact O-N 3.47Å; S532-N534 PolarHBondContact O-N 3.41Å
533S36.5Very low36.4Very low121 Ų121121.9 Ų121.985%0.84666%0.664SS**  trans-69.522.4174.9470000115.1
534N30.6Very low36.8Very low138 Ų138117.9 Ų117.974%0.73865%0.646SS**  trans-118.672-179.4-83.4-21.5000111.4S532S532-N534 PolarHBondContact O-N 3.41Å
535V37.8Very low37Very low108 Ų108112 Ų11266%0.65562%0.62SS**  trans-104.892.6166.8-1760000108
536K36.9Very low37.8Very low198 Ų198109.9 Ų109.986%0.86160%0.597SS**  trans-108.611.3175.8-82.6-167.2178.6-177.60114.3
537D37.4Very low39.3Very low91 Ų91109.4 Ų109.449%0.48760%0.599SS.*  trans-106.291.2-179.5-159.1-12.5000112.5T539 N543D537-T539 PolarHBondContact O-N 2.94Å; D537-T539 PolarHBondContact OD1-N 3.19Å; D537-T539 VanDerWaalsContact OD1-N 3.13Å; D537-T539 PolarHBondContact OD1-OG1 2.76Å; D537-N543 PolarHBondContact O-ND2 3.19Å
538V40.3Very low40.8Very low126 Ų126102.7 Ų102.776%0.76458%0.576SS**THydrogen-bonded Turntrans-66.1-12.7178.9-173.40000111.9
539T34.1Very low42.8Very low115 Ų11597.3 Ų97.371%0.70655%0.553SS**THydrogen-bonded Turntrans-96.2-4.1-174.866.80000115D537D537-T539 PolarHBondContact O-N 2.94Å; D537-T539 PolarHBondContact OD1-N 3.19Å; D537-T539 VanDerWaalsContact OD1-N 3.13Å; D537-T539 PolarHBondContact OD1-OG1 2.76Å
540S40.9Very low45Very low40 Ų4092 Ų9228%0.2853%0.525SS..  trans-60.9132.7177.3171.80000111.4W542 N543 T544S540-W542 PolarHBondContact O-N 3.37Å; S540-W542 VanDerWaalsContact OG-CB 3.26Å; S540-W542 WeakPolarHBondContact OG-CB 3.44Å; S540-W542 PolarHBondContact OG-N 2.79Å; S540-N543 PolarHBondContact O-N 3.28Å; S540-T544 PolarHBondContact O-N 2.77Å; S540-T544 PolarHBondContact O-OG1 3.37Å
541P39.1Very low47Very low107 Ų10788.6 Ų88.670%0.69551%0.505SS*.Hα-helixtrans-49.9-26.6172.1-2633.1000113.3T544 A545P541-T544 WeakPolarHBondContact O-CB 3.4Å; P541-T544 PolarHBondContact O-N 3.45Å; P541-A545 PolarHBondContact O-N 2.85Å
542W35Very low49Very low84 Ų8486.8 Ų86.832%0.31849%0.492SS..Hα-helixtrans-68.6-40.1177.9-137.778.2000113A518 S540 T544 R546A518-W542 HydrophobicContact CB-CH2 3.64Å; A518-W542 HydrophobicContact CB-CZ2 3.69Å; S540-W542 PolarHBondContact O-N 3.37Å; S540-W542 VanDerWaalsContact OG-CB 3.26Å; S540-W542 WeakPolarHBondContact OG-CB 3.44Å; S540-W542 PolarHBondContact OG-N 2.79Å; W542-T544 VanDerWaalsContact C-N 3.34Å; W542-R546 VanDerWaalsContact CZ3-NH1 3.26Å; W542-R546 PolarHBondContact O-N 3.27Å
543N45.8Very low51.4Low37 Ų3789.3 Ų89.320%0.19849%0.493CS..Hα-helixtrans-69.6-35.8172.4-79.4-22.4000110.5D537 S540 R546 C547D537-N543 PolarHBondContact O-ND2 3.19Å; S540-N543 PolarHBondContact O-N 3.28Å; N543-R546 PolarHBondContact O-N 3.46Å; N543-C547 WeakPolarHBondContact O-CB 3.45Å; N543-C547 PolarHBondContact O-N 2.97Å; N543-C547 PolarHBondContact O-SG 3.19Å
544T51Low53.6Low85 Ų8583.9 Ų83.952%0.52145%0.454SS..Hα-helixtrans-63-46174.9-45.10000112.3S540 P541 W542 C547 A548S540-T544 PolarHBondContact O-N 2.77Å; S540-T544 PolarHBondContact O-OG1 3.37Å; P541-T544 WeakPolarHBondContact O-CB 3.4Å; P541-T544 PolarHBondContact O-N 3.45Å; W542-T544 VanDerWaalsContact C-N 3.34Å; T544-C547 PolarHBondContact O-N 3.5Å; T544-A548 PolarHBondContact O-N 3.49Å
545A44.3Very low56Low39 Ų3983.2 Ų83.232%0.32245%0.447SS..Hα-helixtrans-65.4-38.8178.500000112.7P541 A548 L549P541-A545 PolarHBondContact O-N 2.85Å; A545-A548 PolarHBondContact O-N 3.49Å; A545-L549 PolarHBondContact O-N 2.89Å
546R51.7Low58Low56 Ų5681.1 Ų81.121%0.21144%0.437CS..Hα-helixtrans-61.5-42.9172.4-82.1174.5167.2-174.5-7.1112.2I514 S517 W542 N543 I550I514-R546 HydrophobicContact CG1-CG 4.45Å; I514-R546 VanDerWaalsContact CG2-CZ 3.45Å; S517-R546 VanDerWaalsContact OG-CG 3.3Å; S517-R546 WeakPolarHBondContact OG-CG 3.44Å; W542-R546 VanDerWaalsContact CZ3-NH1 3.26Å; W542-R546 PolarHBondContact O-N 3.27Å; N543-R546 PolarHBondContact O-N 3.46Å; R546-I550 WeakPolarHBondContact O-CG1 2.71Å; R546-I550 PolarHBondContact O-N 3.27Å
547C65.4Low60Low66 Ų6673.7 Ų73.745%0.44641%0.406SS..Hα-helixtrans-64.3-40.8175.3-73.10000111.8N543 T544 L549 I550 E551N543-C547 WeakPolarHBondContact O-CB 3.45Å; N543-C547 PolarHBondContact O-N 2.97Å; N543-C547 PolarHBondContact O-SG 3.19Å; T544-C547 PolarHBondContact O-N 3.5Å; C547-L549 PolarHBondContact O-N 3.36Å; C547-I550 PolarHBondContact O-N 3.49Å; C547-E551 WeakPolarHBondContact O-CB 3.47Å; C547-E551 VanDerWaalsContact O-CG 3.31Å; C547-E551 WeakPolarHBondContact O-CG 3.23Å; C547-E551 PolarHBondContact O-N 2.83Å
548A68.9Low62Low49 Ų4969.4 Ų69.441%0.40538%0.384SS..Hα-helixtrans-62.6-42.2-178.100000113.5T544 A545 I550 E551 Q552T544-A548 PolarHBondContact O-N 3.49Å; A545-A548 PolarHBondContact O-N 3.49Å; A548-I550 VanDerWaalsContact C-N 3.34Å; A548-I550 PolarHBondContact O-N 2.8Å; A548-E551 PolarHBondContact O-N 2.68Å; A548-Q552 WeakPolarHBondContact O-CB 3.18Å; A548-Q552 PolarHBondContact O-N 3.09Å
549L72.8Confident63.8Low70 Ų7072.1 Ų72.137%0.36638%0.381SS..Hα-helixtrans-65.1-38.7177.2-76.7168.2000112.3A545 C547 R553A545-L549 PolarHBondContact O-N 2.89Å; C547-L549 PolarHBondContact O-N 3.36Å; L549-R553 VanDerWaalsContact O-CB 3.28Å; L549-R553 WeakPolarHBondContact O-CB 3.42Å; L549-R553 PolarHBondContact O-N 3.34Å; L549-R553 VanDerWaalsContact O-N 3.09Å
550I76.7Confident66.2Low29 Ų2971.1 Ų71.115%0.14937%0.369CS..Hα-helixtrans-65.8-48.4175.1-67.7174.1000109.3I505 R510 I514 R546 C547 A548 Q552 R553 E554I505-I550 HydrophobicContact CD1-CG2 4.01Å; I505-I550 WeakPolarHBondContact CD1-O 3.32Å; R510-I550 HydrophobicContact CG-CD1 4.34Å; I514-I550 HydrophobicContact CD1-CD1 4.38Å; I514-I550 HydrophobicContact CG1-CD1 4.4Å; R546-I550 WeakPolarHBondContact O-CG1 2.71Å; R546-I550 PolarHBondContact O-N 3.27Å; C547-I550 PolarHBondContact O-N 3.49Å; A548-I550 VanDerWaalsContact C-N 3.34Å; A548-I550 PolarHBondContact O-N 2.8Å; I550-Q552 PolarHBondContact O-N 3.22Å; I550-R553 PolarHBondContact O-N 3.4Å; I550-E554 HydrophobicContact CG2-CG 4.43Å; I550-E554 WeakPolarHBondContact O-CG 3.31Å; I550-E554 PolarHBondContact O-N 3.15Å
551E76.6Confident68.5Low82 Ų8269.4 Ų69.438%0.38336%0.356SS..Hα-helixtrans-59.3-47.6178.9-74.7175.4167.700112.1C547 A548 R553 E554 E555C547-E551 WeakPolarHBondContact O-CB 3.47Å; C547-E551 VanDerWaalsContact O-CG 3.31Å; C547-E551 WeakPolarHBondContact O-CG 3.23Å; C547-E551 PolarHBondContact O-N 2.83Å; A548-E551 PolarHBondContact O-N 2.68Å; E551-R553 VanDerWaalsContact C-N 3.28Å; E551-R553 PolarHBondContact O-N 3.09Å; E551-E554 WeakPolarHBondContact O-CB 3.46Å; E551-E554 PolarHBondContact O-N 3.39Å; E551-E554 VanDerWaalsContact O-N 3.15Å; E551-E555 WeakPolarHBondContact O-CG 3.44Å; E551-E555 PolarHBondContact O-N 2.93Å
552Q78.6Confident71.1Confident129 Ų12965.5 Ų65.560%0.60333%0.333SS*.Hα-helixtrans-60.4-39.5176.7-173.1-177.59.400111.9A548 I550 E555 S556A548-Q552 WeakPolarHBondContact O-CB 3.18Å; A548-Q552 PolarHBondContact O-N 3.09Å; I550-Q552 PolarHBondContact O-N 3.22Å; Q552-E555 PolarHBondContact O-N 3.29Å; Q552-S556 PolarHBondContact O-N 3.25Å; Q552-S556 VanDerWaalsContact O-N 3.12Å
553R79.5Confident73.8Confident105 Ų10562.5 Ų62.540%0.39632%0.324SS..Hα-helixtrans-68.3-40.3176.6-179.163170.9154.80.1111.1I505 E509 L513 L549 I550 E551 S556 I557I505-R553 HydrophobicContact CD1-CB 3.52Å; I505-R553 HydrophobicContact CD1-CG 3.38Å; I505-R553 HydrophobicContact CG1-CG 3.96Å; E509-R553 IonicContact OE1-CZ 3.88Å; E509-R553 IonicContact OE1-NE 2.76Å; E509-R553 PolarHBondContact OE1-NE 3.02Å; E509-R553 IonicContact OE1-NH2 2.71Å; E509-R553 PolarHBondContact OE1-NH2 3.01Å; L513-R553 HydrophobicContact CD1-CB 4.39Å; L513-R553 HydrophobicContact CD1-CG 4.29Å; L549-R553 VanDerWaalsContact O-CB 3.28Å; L549-R553 WeakPolarHBondContact O-CB 3.42Å; L549-R553 PolarHBondContact O-N 3.34Å; L549-R553 VanDerWaalsContact O-N 3.09Å; I550-R553 PolarHBondContact O-N 3.4Å; E551-R553 VanDerWaalsContact C-N 3.28Å; E551-R553 PolarHBondContact O-N 3.09Å; R553-S556 PolarHBondContact O-N 3.12Å; R553-S556 PolarHBondContact O-OG 3.43Å; R553-I557 HydrophobicContact CG-CD1 4.09Å; R553-I557 WeakPolarHBondContact O-CG1 3.35Å; R553-I557 PolarHBondContact O-N 3.5Å; R553-I557 VanDerWaalsContact O-N 3.09Å
554E83.4Confident76.1Confident8 Ų867.3 Ų67.34%0.03735%0.345CS..Hα-helixtrans-61.5-43.3174-71.6-170.3147.600111.8L490 R501 C503 L504 I505 I550 E551 S556 I557 A558L490-E554 HydrophobicContact CD1-CB 3.84Å; R501-E554 IonicContact CZ-OE2 3.5Å; R501-E554 IonicContact NE-OE2 3.37Å; R501-E554 PolarHBondContact NE-OE2 2.95Å; R501-E554 IonicContact NH2-OE2 2.77Å; R501-E554 PolarHBondContact NH2-OE2 3.13Å; C503-E554 WeakPolarHBondContact CA-OE1 3.47Å; C503-E554 PolarHBondContact SG-OE1 3.47Å; L504-E554 HydrophobicContact CB-CG 4.21Å; L504-E554 PolarHBondContact N-OE1 3.47Å; I505-E554 HydrophobicContact CD1-CG 3.71Å; I505-E554 HydrophobicContact CG1-CG 3.99Å; I550-E554 HydrophobicContact CG2-CG 4.43Å; I550-E554 WeakPolarHBondContact O-CG 3.31Å; I550-E554 PolarHBondContact O-N 3.15Å; E551-E554 WeakPolarHBondContact O-CB 3.46Å; E551-E554 PolarHBondContact O-N 3.39Å; E551-E554 VanDerWaalsContact O-N 3.15Å; E554-S556 VanDerWaalsContact C-N 3.29Å; E554-S556 PolarHBondContact O-N 3.13Å; E554-I557 PolarHBondContact O-N 3.48Å; E554-A558 VanDerWaalsContact O-CB 3.23Å; E554-A558 WeakPolarHBondContact O-CB 3.46Å; E554-A558 PolarHBondContact O-N 3.38Å
555E80.2Confident78.2Confident124 Ų12467.3 Ų67.358%0.57935%0.345SS*.Hα-helixtrans-59.6-40.4175.5-73.6176.3-179.900111.5E551 Q552 I557 Y559E551-E555 WeakPolarHBondContact O-CG 3.44Å; E551-E555 PolarHBondContact O-N 2.93Å; Q552-E555 PolarHBondContact O-N 3.29Å; E555-I557 PolarHBondContact O-N 3.18Å; E555-Y559 PolarHBondContact O-N 3.4Å
556S79.4Confident80.6Confident64 Ų6468.6 Ų68.645%0.44835%0.347SS..Hα-helixtrans-66-37.1177.276.90000113.1Q552 R553 E554Q552-S556 PolarHBondContact O-N 3.25Å; Q552-S556 VanDerWaalsContact O-N 3.12Å; R553-S556 PolarHBondContact O-N 3.12Å; R553-S556 PolarHBondContact O-OG 3.43Å; E554-S556 VanDerWaalsContact C-N 3.29Å; E554-S556 PolarHBondContact O-N 3.13Å
557I78.8Confident82.8Confident41 Ų4167.7 Ų67.721%0.2136%0.355CS..Hα-helixtrans-76.7-39.7179.4-66.8165.6000110.4I505 R553 E554 E555 Y559I505-I557 HydrophobicContact CG1-CD1 3.77Å; R553-I557 HydrophobicContact CG-CD1 4.09Å; R553-I557 WeakPolarHBondContact O-CG1 3.35Å; R553-I557 PolarHBondContact O-N 3.5Å; R553-I557 VanDerWaalsContact O-N 3.09Å; E554-I557 PolarHBondContact O-N 3.48Å; E555-I557 PolarHBondContact O-N 3.18Å; I557-Y559 PolarHBondContact O-N 3.03Å; I557-Y559 VanDerWaalsContact O-N 3.1Å
558A80.2Confident84.3Confident2 Ų265.6 Ų65.62%0.01734%0.338CS..Hα-helixtrans-63.1-17.4-179.700000112.5V487 L490 K491 L504 E554 Q560V487-A558 HydrophobicContact CG1-CB 4.46Å; L490-A558 HydrophobicContact CB-CB 3.74Å; L490-A558 HydrophobicContact CD1-CB 3.82Å; L490-A558 HydrophobicContact CG-CB 4.46Å; K491-A558 WeakPolarHBondContact CE-O 3.3Å; L504-A558 HydrophobicContact CD1-CB 3.98Å; E554-A558 VanDerWaalsContact O-CB 3.23Å; E554-A558 WeakPolarHBondContact O-CB 3.46Å; E554-A558 PolarHBondContact O-N 3.38Å; A558-Q560 PolarHBondContact O-N 3.45Å
559Y77.5Confident85.7Confident182 Ų18264 Ų6471%0.71432%0.323SS*.THydrogen-bonded Turntrans-55.5-45.6-179.6-174.7-104.2000113K491 E555 I557K491-Y559 WeakPolarHBondContact CE-O 3.28Å; K491-Y559 PolarHBondContact NZ-O 2.7Å; E555-Y559 PolarHBondContact O-N 3.4Å; I557-Y559 PolarHBondContact O-N 3.03Å; I557-Y559 VanDerWaalsContact O-N 3.1Å
560Q84.6Confident86.8Confident95 Ų9565.7 Ų65.744%0.44433%0.327SS..  trans-144127.9-172.6-161.3-175.8-1.300112E310 A558 A562E310-Q560 HydrophobicContact CB-CG 3.68Å; E310-Q560 HydrophobicContact CG-CG 3.49Å; E310-Q560 VanDerWaalsContact CG-CG 3.49Å; A558-Q560 PolarHBondContact O-N 3.45Å; Q560-A562 HydrophobicContact CG-CB 3.89Å; Q560-A562 PolarHBondContact O-N 3.13Å
561I89.3Confident87.7Confident3 Ų368.7 Ų68.72%0.01534%0.341CS..  trans-91.784.8169.9-57.2177.8000107.8I309 E310 F330 Y483 F484 V487I309-I561 HydrophobicContact CG2-CG2 4.17Å; E310-I561 WeakPolarHBondContact CB-O 3.47Å; E310-I561 PolarHBondContact N-O 3.11Å; F330-I561 HydrophobicContact CD2-CG2 4.42Å; F330-I561 HydrophobicContact CE1-CG2 4.46Å; F330-I561 HydrophobicContact CE2-CG2 3.64Å; F330-I561 HydrophobicContact CZ-CG2 3.65Å; Y483-I561 HydrophobicContact CE1-CD1 4.12Å; Y483-I561 HydrophobicContact CE1-CG1 4.37Å; F484-I561 HydrophobicContact CD1-CD1 3.74Å; F484-I561 HydrophobicContact CE1-CD1 3.44Å; F484-I561 VanDerWaalsContact CE1-CD1 3.44Å; F484-I561 HydrophobicContact CZ-CD1 4.21Å; V487-I561 HydrophobicContact CG1-CD1 4.19Å; V487-I561 HydrophobicContact CG1-CG1 4.47Å; V487-I561 HydrophobicContact CG2-CD1 4.36Å
562A92.7Very high88.6Confident25 Ų2566.1 Ų66.121%0.20733%0.331CS..  trans-129.665.1-179.400000111.3E310 V311 Q560E310-A562 HydrophobicContact CB-CB 4.2Å; V311-A562 HydrophobicContact CG1-CB 3.93Å; Q560-A562 HydrophobicContact CG-CB 3.89Å; Q560-A562 PolarHBondContact O-N 3.13Å
563P93.2Very high88.8Confident21 Ų2164.4 Ų64.414%0.13633%0.329CS..  trans-62.2144.8178.429.7-37000111V311 F313 N326 F330V311-P563 HydrophobicContact CG2-CG 4.26Å; F313-P563 HydrophobicContact CD1-CG 4.3Å; F313-P563 HydrophobicContact CE1-CG 3.4Å; F313-P563 HydrophobicContact CZ-CG 4.06Å; N326-P563 HydrophobicContact CB-CB 4.47Å; N326-P563 HydrophobicContact CB-CG 4.47Å; N326-P563 WeakPolarHBondContact CB-O 3.18Å; N326-P563 WeakPolarHBondContact O-CB 3.27Å; F330-P563 HydrophobicContact CB-CB 3.64Å; F330-P563 HydrophobicContact CB-CG 3.77Å; F330-P563 HydrophobicContact CD2-CB 4.1Å; F330-P563 HydrophobicContact CD2-CG 4.1Å; F330-P563 HydrophobicContact CG-CB 4.17Å; F330-P563 HydrophobicContact CG-CG 4Å
564Q92.9Very high87.9Confident138 Ų13865.2 Ų65.265%0.64537%0.37SS*.  trans-121.8154.6-174.2-61.4-175.7-6.400110.7N329 D566N329-Q564 PolarHBondContact ND2-O 3.25Å; Q564-D566 PolarHBondContact O-N 2.94Å
565V96.3Very high88.1Confident86 Ų8668.1 Ų68.152%0.52139%0.387SS..  trans-80109.6161.2175.60000106.4E324 N326E324-V565 HydrophobicContact CB-CG1 4.1Å; E324-V565 HydrophobicContact CG-CG1 3.97Å; N326-V565 HydrophobicContact CB-CG2 4.27Å
566D94.7Very high88.5Confident65 Ų6565.1 Ų65.135%0.34838%0.377SS..  trans-115.715.6-171.669-37.6000113E324 N329 R412 Q564 R568E324-D566 PolarHBondContact OE1-N 3.05Å; N329-D566 PolarHBondContact ND2-OD1 2.98Å; R412-D566 VanDerWaalsContact CZ-O 3.29Å; R412-D566 IonicContact CZ-OD2 3.19Å; R412-D566 PolarHBondContact NH1-O 3.36Å; R412-D566 VanDerWaalsContact NH2-CG 3.31Å; R412-D566 PolarHBondContact NH2-O 2.95Å; R412-D566 IonicContact NH2-OD2 2.91Å; R412-D566 PolarHBondContact NH2-OD2 3.23Å; Q564-D566 PolarHBondContact O-N 2.94Å; D566-R568 WeakPolarHBondContact OD1-CG 3.26Å; D566-R568 IonicContact OD1-CZ 3.64Å; D566-R568 IonicContact OD1-NE 3.54Å; D566-R568 PolarHBondContact OD1-NE 2.92Å; D566-R568 IonicContact OD1-NH2 2.74Å; D566-R568 IonicContact OD2-NE 3.92Å
567G96.2Very high89Confident38 Ų3865.2 Ų65.239%0.39237%0.373SS..SBendtrans78.940.9172.400000112.6E324 R412E324-G567 PolarHBondContact OE1-N 3.31Å; E324-G567 VanDerWaalsContact OE2-C 3.3Å; E324-G567 WeakPolarHBondContact OE2-CA 3.45Å; E324-G567 PolarHBondContact OE2-N 3.05Å; R412-G567 PolarHBondContact NH1-O 2.91Å
568R97.3Very high89.6Confident22 Ų2266.6 Ų66.68%0.08338%0.383CS..SBendtrans-74.1-34170.4-51.7179.6-168.8-170.1-5.7111.7E324 N329 D333 I408 R412 F413 D566E324-R568 VanDerWaalsContact CD-N 3.28Å; E324-R568 PolarHBondContact OE1-N 2.92Å; E324-R568 PolarHBondContact OE2-N 3.35Å; N329-R568 WeakPolarHBondContact OD1-CD 3.43Å; D333-R568 VanDerWaalsContact CG-NH2 3.35Å; D333-R568 IonicContact OD1-CZ 3.76Å; D333-R568 IonicContact OD1-NH1 2.6Å; D333-R568 PolarHBondContact OD1-NH1 3.33Å; D333-R568 IonicContact OD1-NH2 2.77Å; D333-R568 PolarHBondContact OD1-NH2 2.88Å; D333-R568 IonicContact OD2-CZ 3.33Å; D333-R568 IonicContact OD2-NH1 3.74Å; D333-R568 IonicContact OD2-NH2 3.96Å; D333-R568 PolarHBondContact OD2-NH2 3.18Å; I408-R568 HydrophobicContact CD1-CB 3.66Å; I408-R568 WeakPolarHBondContact CD1-O 3.12Å; I408-R568 HydrophobicContact CG1-CB 3.92Å; I408-R568 PolarHBondContact O-NH1 3.45Å; R412-R568 CarbonylContact C-O 3.51Å; R412-R568 VanDerWaalsContact CA-O 3.24Å; R412-R568 WeakPolarHBondContact CA-O 3.44Å; R412-R568 HydrophobicContact CG-CB 4.3Å; R412-R568 HydrophobicContact CG-CG 4.37Å; F413-R568 PolarHBondContact N-O 3.4Å; D566-R568 WeakPolarHBondContact OD1-CG 3.26Å; D566-R568 IonicContact OD1-CZ 3.64Å; D566-R568 IonicContact OD1-NE 3.54Å; D566-R568 PolarHBondContact OD1-NE 2.92Å; D566-R568 IonicContact OD1-NH2 2.74Å; D566-R568 IonicContact OD2-NE 3.92Å
569I98.1Very high90.2Very high16 Ų1670.6 Ų70.68%0.08241%0.406CS..EExtended strand (participates in β ladder)trans-121.1106.8175.9-50.6172.6000108.4E324 F405 P406 I408 F413 F415E324-I569 HydrophobicContact CB-CB 4.12Å; E324-I569 PolarHBondContact OE2-N 3.28Å; F405-I569 HydrophobicContact CE1-CD1 4Å; F405-I569 HydrophobicContact CZ-CD1 4.16Å; F405-I569 HydrophobicContact CZ-CG2 4.08Å; P406-I569 HydrophobicContact CG-CD1 4.27Å; P406-I569 WeakPolarHBondContact O-CD1 3.36Å; I408-I569 HydrophobicContact CD1-CD1 4.14Å; I408-I569 HydrophobicContact CD1-CG1 3.42Å; I408-I569 VanDerWaalsContact CD1-CG1 3.42Å; I408-I569 HydrophobicContact CG1-CD1 4.05Å; I408-I569 HydrophobicContact CG1-CG1 3.82Å; F413-I569 HydrophobicContact CD1-CG1 4.46Å; F413-I569 HydrophobicContact CE1-CB 4.38Å; F413-I569 HydrophobicContact CE1-CD1 4.3Å; F413-I569 HydrophobicContact CE1-CG1 3.76Å; F413-I569 HydrophobicContact CE1-CG2 4.05Å; F413-I569 HydrophobicContact CE2-CG2 3.99Å; F413-I569 HydrophobicContact CZ-CB 4.38Å; F413-I569 HydrophobicContact CZ-CG1 4.14Å; F413-I569 HydrophobicContact CZ-CG2 3.57Å; F415-I569 HydrophobicContact CD1-CG2 4.05Å; F415-I569 HydrophobicContact CE1-CG2 3.83Å
570K97.2Very high91.1Very high104 Ų10463.2 Ų63.245%0.45239%0.385SS..EExtended strand (participates in β ladder)trans-108.3116.9-176.4-177.3-177.1164.5-153.30110.9F413 A414 F415 E429 V572F413-K570 PolarHBondContact O-N 3.37Å; A414-K570 CarbonylContact C-O 3.48Å; A414-K570 WeakPolarHBondContact CA-O 3.18Å; A414-K570 HydrophobicContact CB-CB 4.03Å; A414-K570 HydrophobicContact CB-CD 4.43Å; A414-K570 HydrophobicContact CB-CG 4.47Å; F415-K570 PolarHBondContact N-O 3Å; E429-K570 IonicContact OE2-NZ 3.73Å; E429-K570 PolarHBondContact OE2-NZ 3.15Å; K570-V572 HydrophobicContact CD-CG2 4.41Å; K570-V572 HydrophobicContact CG-CG2 4.23Å
571M95.9Very high91.5Very high93 Ų9360.9 Ų60.946%0.45838%0.381SS..EExtended strand (participates in β ladder)trans-80.8129.2169.1-173.1-17666.600109.8Y398 F415 P417 T573Y398-M571 PolarHBondContact OH-SD 3.42Å; F415-M571 HydrophobicContact CE1-CB 3.8Å; F415-M571 HydrophobicContact CE1-CG 4.27Å; F415-M571 HydrophobicContact CE2-CG 4.1Å; F415-M571 HydrophobicContact CZ-CB 3.8Å; F415-M571 HydrophobicContact CZ-CG 3.82Å; F415-M571 HydrophobicContact CZ-SD 4.44Å; P417-M571 HydrophobicContact CG-CG 4.12Å; P417-M571 HydrophobicContact CG-SD 4.09Å; M571-T573 HydrophobicContact CE-CG2 3.99Å; M571-T573 HydrophobicContact CG-CG2 4.27Å; M571-T573 HydrophobicContact SD-CG2 4.25Å
572V93.9Very high91.7Very high27 Ų2765.4 Ų65.416%0.16441%0.409CS..  trans-117.3118.9177.5-176.40000109A414 F415 N416 I426 K570A414-V572 HydrophobicContact CB-CG2 4.1Å; F415-V572 PolarHBondContact O-N 3.39Å; N416-V572 WeakPolarHBondContact CA-O 3.45Å; N416-V572 PolarHBondContact OD1-O 3.47Å; I426-V572 HydrophobicContact CD1-CB 3.97Å; I426-V572 HydrophobicContact CD1-CG1 4.46Å; I426-V572 HydrophobicContact CD1-CG2 3.91Å; K570-V572 HydrophobicContact CD-CG2 4.41Å; K570-V572 HydrophobicContact CG-CG2 4.23Å
573T82.6Confident91.6Very high93 Ų9368.8 Ų68.857%0.57143%0.426SS*.  trans-115.270.2177.957.30000109.3P417 M571P417-T573 HydrophobicContact CG-CG2 4.42Å; M571-T573 HydrophobicContact CE-CG2 3.99Å; M571-T573 HydrophobicContact CG-CG2 4.27Å; M571-T573 HydrophobicContact SD-CG2 4.25Å
574G61.3Low91.5Very high122 Ų12273.1 Ų73.1100%1.25845%0.452SS*.  trans103.50-17900000113.5

Retrieved 574 of 574 residues in 121.3 ms (Link to these results)

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