A0A077ZLS0_TRITR Loading...

Glycerol-3-phosphate dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZLS0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 592 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
1M87.8Confident90.3Very high95 Ų9568.5 Ų68.547%0.46836%0.362SS..  0-69.60-61.8-177.4-177.900113.4Q3 Q4 L5 I180 V182 M526M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 2.98Å; M1-Q4 CarbonylContact O-C 3.47Å; M1-Q4 WeakPolarHBondContact O-CA 3.24Å; M1-Q4 WeakPolarHBondContact O-CB 3.35Å; M1-Q4 PolarHBondContact O-N 2.99Å; M1-L5 PolarHBondContact O-N 2.85Å; M1-I180 HydrophobicContact CB-CG2 4.19Å; M1-I180 HydrophobicContact CG-CG2 4.34Å; M1-V182 HydrophobicContact CB-CG2 3.96Å; M1-V182 HydrophobicContact SD-CG2 4.44Å; M1-M526 HydrophobicContact CE-CE 3.93Å; M1-M526 HydrophobicContact SD-CE 3.39Å; M1-M526 WeakPolarHBondContact SD-CE 3.42Å
2I89.7Confident90.9Very high61 Ų6162.8 Ų62.831%0.31333%0.332SS..Hα-helixtrans-55.9-41.4-177-58-178.4000112.9Q4 L5 K6 M185 L212I2-Q4 VanDerWaalsContact C-N 3.32Å; I2-Q4 PolarHBondContact O-N 2.73Å; I2-L5 WeakPolarHBondContact O-CB 3.42Å; I2-L5 PolarHBondContact O-N 2.89Å; I2-K6 PolarHBondContact O-N 2.82Å; I2-K6 VanDerWaalsContact O-N 3.13Å; I2-M185 HydrophobicContact CD1-CE 3.51Å; I2-M185 HydrophobicContact CG1-CE 3.64Å; I2-L212 HydrophobicContact CG2-CD2 4.37Å
3Q91.4Very high91.5Very high104 Ų10458 Ų5849%0.48631%0.307SS..Hα-helixtrans-63.5-39.2176.3-168.260.823.800112.2M1 L5 K6 E7M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 2.98Å; Q3-L5 VanDerWaalsContact C-N 3.31Å; Q3-L5 PolarHBondContact O-N 3.15Å; Q3-K6 PolarHBondContact O-N 2.77Å; Q3-K6 VanDerWaalsContact O-N 3.15Å; Q3-E7 PolarHBondContact NE2-OE1 3.16Å; Q3-E7 WeakPolarHBondContact O-CG 3.43Å; Q3-E7 PolarHBondContact O-N 3.23Å
4Q92.5Very high92.1Very high95 Ų9553.9 Ų53.944%0.44429%0.285SS..Hα-helixtrans-65.4-34.1174.8-64.4162.9-67.100111.6M1 I2 K6 G8 I180M1-Q4 CarbonylContact O-C 3.47Å; M1-Q4 WeakPolarHBondContact O-CA 3.24Å; M1-Q4 WeakPolarHBondContact O-CB 3.35Å; M1-Q4 PolarHBondContact O-N 2.99Å; I2-Q4 VanDerWaalsContact C-N 3.32Å; I2-Q4 PolarHBondContact O-N 2.73Å; Q4-K6 VanDerWaalsContact C-N 3.32Å; Q4-K6 PolarHBondContact O-N 3.48Å; Q4-G8 WeakPolarHBondContact O-CA 3.28Å; Q4-G8 PolarHBondContact O-N 3.08Å; Q4-I180 HydrophobicContact CB-CD1 4.48Å; Q4-I180 HydrophobicContact CB-CG1 4.43Å
5L93.3Very high92.5Very high1 Ų150.9 Ų50.91%0.00527%0.269CS..Hα-helixtrans-63.8-37172.5-67.6-178.8000112.4M1 I2 Q3 F10 A36 L38 I180 V182 L212 V214M1-L5 PolarHBondContact O-N 2.85Å; I2-L5 WeakPolarHBondContact O-CB 3.42Å; I2-L5 PolarHBondContact O-N 2.89Å; Q3-L5 VanDerWaalsContact C-N 3.31Å; Q3-L5 PolarHBondContact O-N 3.15Å; L5-F10 HydrophobicContact CD2-CE2 4.16Å; L5-F10 HydrophobicContact CD2-CZ 3.98Å; L5-A36 HydrophobicContact CD2-CB 3.74Å; L5-L38 HydrophobicContact CD1-CD2 3.85Å; L5-L38 HydrophobicContact CD2-CD2 4.17Å; L5-I180 HydrophobicContact CD2-CB 4.46Å; L5-I180 HydrophobicContact CD2-CG2 3.86Å; L5-I180 HydrophobicContact CG-CG2 4.19Å; L5-V182 HydrophobicContact CD1-CB 4.31Å; L5-V182 HydrophobicContact CD1-CG2 3.79Å; L5-V182 HydrophobicContact CG-CG2 4.31Å; L5-L212 HydrophobicContact CB-CD1 3.95Å; L5-V214 HydrophobicContact CB-CG2 4.07Å; L5-V214 HydrophobicContact CD2-CG1 4.36Å
6K89.9Confident92.9Very high114 Ų11448 Ų4850%0.49626%0.255SS..Hα-helixtrans-72.2-36.9178.8-69-178.9179.9175.30113I2 Q3 Q4 L212I2-K6 PolarHBondContact O-N 2.82Å; I2-K6 VanDerWaalsContact O-N 3.13Å; Q3-K6 PolarHBondContact O-N 2.77Å; Q3-K6 VanDerWaalsContact O-N 3.15Å; Q4-K6 VanDerWaalsContact C-N 3.32Å; Q4-K6 PolarHBondContact O-N 3.48Å; K6-L212 HydrophobicContact CG-CB 4.29Å; K6-L212 HydrophobicContact CG-CD1 3.66Å
7E87.9Confident93.2Very high143 Ų14345.2 Ų45.267%0.66824%0.24SC*.Hα-helixtrans-92.9-21.8-174.3-67174.1175.200112.9Q3Q3-E7 PolarHBondContact NE2-OE1 3.16Å; Q3-E7 WeakPolarHBondContact O-CG 3.43Å; Q3-E7 PolarHBondContact O-N 3.23Å
8G79.1Confident93.5Very high22 Ų2243.6 Ų43.623%0.22724%0.236CC..  trans-71.8134.1-172.800000113.2Q4Q4-G8 WeakPolarHBondContact O-CA 3.28Å; Q4-G8 PolarHBondContact O-N 3.08Å
9A86.8Confident93.8Very high88 Ų8841.6 Ų41.673%0.72723%0.226SC*.EExtended strand (participates in β ladder)trans-98.797.8158.400000107.2
10F97.3Very high94Very high14 Ų1440.6 Ų40.66%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-84.6148.2-175.1-64-83.9000111.5L5 S34 A36 I180 V214 N215 S216 K217L5-F10 HydrophobicContact CD2-CE2 4.16Å; L5-F10 HydrophobicContact CD2-CZ 3.98Å; F10-S34 WeakPolarHBondContact CA-OG 3.1Å; F10-A36 HydrophobicContact CD1-CB 3.78Å; F10-A36 HydrophobicContact CD2-CB 3.99Å; F10-A36 HydrophobicContact CE1-CB 3.81Å; F10-A36 HydrophobicContact CE2-CB 4.02Å; F10-A36 HydrophobicContact CG-CB 3.88Å; F10-A36 HydrophobicContact CZ-CB 3.93Å; F10-I180 HydrophobicContact CE1-CB 4.35Å; F10-I180 HydrophobicContact CE1-CG1 4.13Å; F10-I180 HydrophobicContact CZ-CG1 4.44Å; F10-V214 HydrophobicContact CD2-CG1 3.78Å; F10-V214 HydrophobicContact CE2-CG1 3.79Å; F10-N215 PolarHBondContact N-O 3.16Å; F10-S216 CarbonylContact O-C 3.6Å; F10-S216 WeakPolarHBondContact O-CA 3.37Å; F10-S216 VanDerWaalsContact O-CB 3.32Å; F10-S216 WeakPolarHBondContact O-CB 3.27Å; F10-K217 PolarHBondContact O-N 2.96Å
11D97.4Very high94.2Very high17 Ų1738.6 Ų38.69%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-73.5-38.2168.4-62.6-61.9000109.9L33 S34 K217 L218 L438D11-L33 HydrophobicContact CB-CB 4.19Å; D11-L33 HydrophobicContact CB-CD2 4.35Å; D11-L33 HydrophobicContact CB-CG 4.26Å; D11-S34 VanDerWaalsContact CG-OG 3.31Å; D11-S34 PolarHBondContact N-O 3.42Å; D11-S34 PolarHBondContact N-OG 2.9Å; D11-S34 PolarHBondContact OD2-N 2.91Å; D11-S34 PolarHBondContact OD2-OG 2.96Å; D11-K217 WeakPolarHBondContact OD1-CE 3.34Å; D11-K217 IonicContact OD1-NZ 2.81Å; D11-K217 PolarHBondContact OD1-NZ 3.05Å; D11-L218 PolarHBondContact O-N 2.95Å; D11-L438 HydrophobicContact CB-CD1 4.3Å
12L98.4Very high94.8Very high0 Ų034.1 Ų34.10%019%0.188CC..EExtended strand (participates in β ladder)trans-139.9128.9-176.2-174.968.2000112.2I14 V24 A28 L33 S34 V35 A36 L218 I220 I434L12-I14 HydrophobicContact CD2-CD1 4Å; L12-I14 HydrophobicContact CD2-CG1 3.82Å; L12-I14 HydrophobicContact CG-CG1 3.97Å; L12-V24 HydrophobicContact CD2-CG1 4.08Å; L12-A28 HydrophobicContact CD2-CB 3.9Å; L12-L33 HydrophobicContact CB-CD2 4.35Å; L12-S34 PolarHBondContact N-O 2.84Å; L12-V35 WeakPolarHBondContact O-CA 3.37Å; L12-A36 PolarHBondContact O-N 3.1Å; L12-L218 WeakPolarHBondContact CA-O 3.08Å; L12-L218 HydrophobicContact CD1-CB 3.95Å; L12-I220 HydrophobicContact CD1-CB 4.35Å; L12-I220 HydrophobicContact CD1-CG2 3.89Å; L12-I220 HydrophobicContact CD2-CG2 4.42Å; L12-I220 HydrophobicContact CG-CG2 4.31Å; L12-I434 HydrophobicContact CD1-CD1 4.09Å; L12-I434 HydrophobicContact CD1-CG1 4.41Å; L12-I434 HydrophobicContact CD2-CD1 3.85Å
13I98.7Very high95.2Very high0 Ų031.2 Ų31.20%017%0.173CC..EExtended strand (participates in β ladder)trans-101.8131.2161.8-71.1165000109I15 A36 L38 V201 V214 S216 L218 V219 I220I13-I15 HydrophobicContact CG2-CG1 4.36Å; I13-A36 CarbonylContact C-O 3.47Å; I13-A36 WeakPolarHBondContact CA-O 3.39Å; I13-A36 HydrophobicContact CG1-CB 4.16Å; I13-L38 HydrophobicContact CG2-CD1 3.78Å; I13-V201 HydrophobicContact CD1-CG2 4.09Å; I13-V201 HydrophobicContact CG2-CG1 4.5Å; I13-V201 HydrophobicContact CG2-CG2 4.1Å; I13-V214 HydrophobicContact CD1-CB 3.99Å; I13-V214 HydrophobicContact CD1-CG1 3.64Å; I13-V214 WeakPolarHBondContact CD1-O 3.38Å; I13-V214 HydrophobicContact CG1-CG1 4.17Å; I13-S216 VanDerWaalsContact CD1-OG 3.26Å; I13-S216 WeakPolarHBondContact CD1-OG 3.37Å; I13-S216 WeakPolarHBondContact CG1-OG 3.48Å; I13-L218 PolarHBondContact N-O 3.01Å; I13-V219 HydrophobicContact CB-CG1 4.46Å; I13-V219 HydrophobicContact CB-CG2 4.25Å; I13-V219 HydrophobicContact CG2-CG1 4.32Å; I13-V219 CarbonylContact O-C 3.58Å; I13-V219 WeakPolarHBondContact O-CA 3.24Å; I13-I220 PolarHBondContact O-N 3.45Å
14I98.9Very high95.5Very high0 Ų026.3 Ų26.30%015%0.15CC..EExtended strand (participates in β ladder)trans-111.3122.4176.5-57.7167.6000108.4L12 V24 A25 V35 A36 L37 L38 I220 T222L12-I14 HydrophobicContact CD2-CD1 4Å; L12-I14 HydrophobicContact CD2-CG1 3.82Å; L12-I14 HydrophobicContact CG-CG1 3.97Å; I14-V24 HydrophobicContact CD1-CB 4.12Å; I14-V24 HydrophobicContact CD1-CG1 3.74Å; I14-V24 HydrophobicContact CG1-CG1 4.15Å; I14-A25 HydrophobicContact CD1-CB 3.59Å; I14-V35 HydrophobicContact CD1-CG1 3.65Å; I14-V35 HydrophobicContact CG1-CG1 4.34Å; I14-A36 PolarHBondContact N-O 2.89Å; I14-L37 HydrophobicContact CB-CB 4.37Å; I14-L37 HydrophobicContact CB-CG 4.43Å; I14-L37 HydrophobicContact CG2-CD1 4.29Å; I14-L37 HydrophobicContact CG2-CG 4.41Å; I14-L37 WeakPolarHBondContact O-CA 3.42Å; I14-L38 PolarHBondContact O-N 2.99Å; I14-I220 HydrophobicContact CB-CG2 4.12Å; I14-I220 HydrophobicContact CG1-CG2 3.67Å; I14-I220 HydrophobicContact CG2-CG2 4.24Å; I14-T222 HydrophobicContact CG2-CG2 4.22Å; I14-T222 WeakPolarHBondContact CG2-OG1 3.37Å
15I98.8Very high95.8Very high9 Ų921.8 Ų21.85%0.04613%0.129CC..EExtended strand (participates in β ladder)trans-98.3114.9177.5-49.3176.7000108.9I13 V187 I190 V201 V219 I220 T222 A223 V230I13-I15 HydrophobicContact CG2-CG1 4.36Å; I15-V187 HydrophobicContact CD1-CG1 4.23Å; I15-V187 HydrophobicContact CD1-CG2 4.19Å; I15-V187 HydrophobicContact CG1-CG2 4.07Å; I15-V187 HydrophobicContact CG2-CB 4.27Å; I15-V187 HydrophobicContact CG2-CG2 3.86Å; I15-I190 HydrophobicContact CD1-CD1 3.84Å; I15-V201 HydrophobicContact CD1-CG1 4.05Å; I15-V219 HydrophobicContact CD1-CG1 3.72Å; I15-V219 HydrophobicContact CG1-CG1 4.09Å; I15-I220 PolarHBondContact N-O 2.95Å; I15-T222 CarbonylContact O-C 3.47Å; I15-T222 VanDerWaalsContact O-C 3.31Å; I15-T222 WeakPolarHBondContact O-CA 3.42Å; I15-T222 PolarHBondContact O-N 3.41Å; I15-T222 PolarHBondContact O-OG1 3.32Å; I15-A223 PolarHBondContact O-N 2.7Å; I15-V230 HydrophobicContact CD1-CG1 3.9Å; I15-V230 HydrophobicContact CG2-CG1 4.15Å; I15-V230 HydrophobicContact CG2-CG2 4.26Å
16G98.7Very high96.1Very high5 Ų522.1 Ų22.15%0.05213%0.131CC..  trans108.8123.6-179.200000113G21 L38 T222G16-G21 WeakPolarHBondContact O-CA 3.34Å; G16-L38 PolarHBondContact N-O 2.87Å; G16-T222 PolarHBondContact O-OG1 3.5Å
17G98.6Very high96.5Very high0 Ų017 Ų170%011%0.109CC..  trans-103.433.8176.800000113.3E39 A44 V167G17-E39 WeakPolarHBondContact CA-OE2 3.37Å; G17-E39 PolarHBondContact N-OE2 3.05Å; G17-A44 PolarHBondContact O-N 3.27Å; G17-V167 WeakPolarHBondContact O-CG1 3.47Å
18G98.6Very high97Very high16 Ų1610.2 Ų10.217%0.1658%0.077CC..SBendtrans-81.2-176.1163.300000111.7T20 G21 A22G18-T20 VanDerWaalsContact C-N 3.26Å; G18-T20 PolarHBondContact O-N 2.94Å; G18-G21 PolarHBondContact O-N 2.73Å; G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.12Å; G18-A22 PolarHBondContact O-N 3.34Å
19I98.4Very high97.9Very high7 Ų79.4 Ų9.44%0.0367%0.068CC..Hα-helixtrans-60.4-34.6-176.3-168.159.9000113.3G23 S48 L166 V167 L420 Y423I19-G23 PolarHBondContact O-N 3.26Å; I19-S48 WeakPolarHBondContact CG2-OG 3.46Å; I19-S48 PolarHBondContact N-OG 3.15Å; I19-L166 HydrophobicContact CD1-CB 4.39Å; I19-L166 HydrophobicContact CD1-CD2 3.9Å; I19-L166 HydrophobicContact CD1-CG 3.75Å; I19-L166 HydrophobicContact CG1-CD2 4.44Å; I19-V167 HydrophobicContact CB-CG2 3.82Å; I19-V167 HydrophobicContact CD1-CG2 4.02Å; I19-V167 HydrophobicContact CG1-CG2 4.47Å; I19-L420 HydrophobicContact CG1-CG 4.43Å; I19-Y423 HydrophobicContact CD1-CD1 4.27Å; I19-Y423 HydrophobicContact CD1-CD2 3.84Å; I19-Y423 HydrophobicContact CD1-CE1 4.39Å; I19-Y423 HydrophobicContact CD1-CE2 4.03Å; I19-Y423 HydrophobicContact CD1-CG 3.97Å; I19-Y423 HydrophobicContact CG1-CD1 4.01Å; I19-Y423 HydrophobicContact CG1-CD2 3.77Å; I19-Y423 HydrophobicContact CG1-CE2 4.45Å; I19-Y423 HydrophobicContact CG1-CG 3.51Å
20T98.4Very high98.5Very high20 Ų206.5 Ų6.512%0.1234%0.044CC..Hα-helixtrans-63.3-53.3177.2-52.10000111.2G18 G23 V24 T222 L415G18-T20 VanDerWaalsContact C-N 3.26Å; G18-T20 PolarHBondContact O-N 2.94Å; T20-G23 PolarHBondContact O-N 3.3Å; T20-V24 WeakPolarHBondContact O-CG2 3.3Å; T20-V24 PolarHBondContact O-N 3.45Å; T20-V24 VanDerWaalsContact O-N 3.14Å; T20-T222 HydrophobicContact CG2-CG2 4.1Å; T20-L415 HydrophobicContact CG2-CD2 3.42Å; T20-L415 VanDerWaalsContact CG2-CD2 3.42Å; T20-L415 HydrophobicContact CG2-CG 3.75Å
21G98.7Very high98.5Very high0 Ų06.4 Ų6.40%05%0.045CC..Hα-helixtrans-66.8-37.4178.500000113.1G16 G18 V24 A25 T222G16-G21 WeakPolarHBondContact O-CA 3.34Å; G18-G21 PolarHBondContact O-N 2.73Å; G21-V24 PolarHBondContact O-N 2.97Å; G21-A25 WeakPolarHBondContact O-CB 3.34Å; G21-A25 PolarHBondContact O-N 3.22Å; G21-T222 WeakPolarHBondContact CA-OG1 3.4Å
22A98.8Very high98.4Very high0 Ų08.1 Ų8.10%07%0.067CC..Hα-helixtrans-62-43174.900000112.3G18 A25 L26 V167 N170 I171G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.12Å; G18-A22 PolarHBondContact O-N 3.34Å; A22-A25 PolarHBondContact O-N 3.01Å; A22-L26 PolarHBondContact O-N 3.35Å; A22-V167 HydrophobicContact CB-CG1 4.17Å; A22-N170 HydrophobicContact CB-CB 3.81Å; A22-I171 HydrophobicContact CB-CD1 4.28Å; A22-I171 HydrophobicContact CB-CG1 3.7Å
23G98.5Very high98.4Very high1 Ų18.5 Ų8.51%0.017%0.069CC..Hα-helixtrans-63.5-41.4175.700000112.9I19 T20 Q27 A427I19-G23 PolarHBondContact O-N 3.26Å; T20-G23 PolarHBondContact O-N 3.3Å; G23-Q27 WeakPolarHBondContact O-CG 3.17Å; G23-Q27 PolarHBondContact O-N 3.22Å; G23-A427 WeakPolarHBondContact O-CB 3.35Å
24V98.7Very high98.3Very high0 Ų010.5 Ų10.50%08%0.083CC..Hα-helixtrans-65.3-43.7174.9177.10000110.6L12 I14 T20 G21 L26 Q27 A28 I220 T222 L415 A427 A430 I434L12-V24 HydrophobicContact CD2-CG1 4.08Å; I14-V24 HydrophobicContact CD1-CB 4.12Å; I14-V24 HydrophobicContact CD1-CG1 3.74Å; I14-V24 HydrophobicContact CG1-CG1 4.15Å; T20-V24 WeakPolarHBondContact O-CG2 3.3Å; T20-V24 PolarHBondContact O-N 3.45Å; T20-V24 VanDerWaalsContact O-N 3.14Å; G21-V24 PolarHBondContact O-N 2.97Å; V24-L26 PolarHBondContact O-N 3.44Å; V24-Q27 PolarHBondContact O-N 3.42Å; V24-A28 WeakPolarHBondContact O-CB 3.45Å; V24-A28 PolarHBondContact O-N 3.49Å; V24-I220 HydrophobicContact CG1-CG2 4.39Å; V24-T222 HydrophobicContact CG2-CG2 4.46Å; V24-L415 HydrophobicContact CG2-CD2 3.98Å; V24-A427 HydrophobicContact CG2-CB 3.9Å; V24-A430 HydrophobicContact CG2-CB 4.26Å; V24-I434 HydrophobicContact CG1-CD1 4.27Å
25A98.9Very high98.3Very high1 Ų110.6 Ų10.61%0.0088%0.084CC..Hα-helixtrans-62-44-179.500000112.4I14 G21 A22 A28 A29 V35 L37 A174I14-A25 HydrophobicContact CD1-CB 3.59Å; G21-A25 WeakPolarHBondContact O-CB 3.34Å; G21-A25 PolarHBondContact O-N 3.22Å; A22-A25 PolarHBondContact O-N 3.01Å; A25-A28 PolarHBondContact O-N 2.75Å; A25-A29 VanDerWaalsContact O-CB 3.26Å; A25-A29 WeakPolarHBondContact O-CB 3.43Å; A25-A29 PolarHBondContact O-N 3.43Å; A25-V35 HydrophobicContact CB-CG1 4.38Å; A25-L37 HydrophobicContact CB-CB 4.48Å; A25-L37 HydrophobicContact CB-CD1 3.65Å; A25-A174 HydrophobicContact CB-CB 3.99Å
26L98.7Very high98.3Very high8 Ų810.1 Ų10.14%0.0428%0.082CC..Hα-helixtrans-59.4-52.9177178.7160.7000110.7A22 V24 A28 A29 A30 N170 R173 A174 I446 Y451 V453A22-L26 PolarHBondContact O-N 3.35Å; V24-L26 PolarHBondContact O-N 3.44Å; L26-A28 PolarHBondContact O-N 3.4Å; L26-A29 PolarHBondContact O-N 3.07Å; L26-A30 VanDerWaalsContact O-CB 3.31Å; L26-A30 WeakPolarHBondContact O-CB 3.46Å; L26-A30 PolarHBondContact O-N 2.75Å; L26-N170 HydrophobicContact CD1-CB 4.31Å; L26-N170 WeakPolarHBondContact CD1-OD1 3.42Å; L26-R173 HydrophobicContact CD1-CB 3.9Å; L26-R173 HydrophobicContact CD1-CG 3.65Å; L26-R173 HydrophobicContact CG-CB 4.4Å; L26-R173 HydrophobicContact CG-CG 3.85Å; L26-A174 HydrophobicContact CB-CB 4.3Å; L26-I446 HydrophobicContact CD2-CD1 4.28Å; L26-Y451 HydrophobicContact CD2-CD1 3.73Å; L26-Y451 HydrophobicContact CD2-CE1 4.2Å; L26-Y451 HydrophobicContact CG-CD1 4.43Å; L26-V453 HydrophobicContact CD1-CG1 4.12Å
27Q98.6Very high98.3Very high6 Ų610 Ų103%0.0288%0.079CC..Hα-helixtrans-66.4-39.1-177.7-64.3-172.93700111.9G23 V24 S31 R424 T428 M431 I446G23-Q27 WeakPolarHBondContact O-CG 3.17Å; G23-Q27 PolarHBondContact O-N 3.22Å; V24-Q27 PolarHBondContact O-N 3.42Å; Q27-S31 VanDerWaalsContact O-CB 3.29Å; Q27-S31 WeakPolarHBondContact O-CB 3.44Å; Q27-S31 PolarHBondContact O-N 3.26Å; Q27-S31 PolarHBondContact O-OG 3.35Å; Q27-R424 PolarHBondContact NE2-O 2.83Å; Q27-T428 PolarHBondContact NE2-OG1 2.93Å; Q27-T428 PolarHBondContact OE1-OG1 3.3Å; Q27-M431 HydrophobicContact CB-CG 3.73Å; Q27-I446 HydrophobicContact CB-CD1 4.34Å; Q27-I446 HydrophobicContact CG-CD1 4.18Å
28A98.6Very high98.3Very high0 Ų010 Ų100%08%0.08CC..Hα-helixtrans-64.3-47.2178.100000112.4L12 V24 A25 L26 S31 G32 L33 V35 M431L12-A28 HydrophobicContact CD2-CB 3.9Å; V24-A28 WeakPolarHBondContact O-CB 3.45Å; V24-A28 PolarHBondContact O-N 3.49Å; A25-A28 PolarHBondContact O-N 2.75Å; L26-A28 PolarHBondContact O-N 3.4Å; A28-S31 PolarHBondContact O-N 2.81Å; A28-G32 PolarHBondContact O-N 3.27Å; A28-L33 HydrophobicContact CB-CB 4.43Å; A28-L33 HydrophobicContact CB-CD2 4.34Å; A28-L33 WeakPolarHBondContact O-CB 3.08Å; A28-L33 WeakPolarHBondContact O-CD1 3.31Å; A28-L33 PolarHBondContact O-N 2.65Å; A28-V35 HydrophobicContact CB-CG2 3.5Å; A28-M431 HydrophobicContact CB-CE 4.08Å; A28-M431 HydrophobicContact CB-SD 3.63Å
29A98.3Very high98.3Very high5 Ų510.2 Ų10.24%0.0418%0.076CC..Hα-helixtrans-64.8-44.5179.700000111.7A25 L26 S31 G32 D177 A179A25-A29 VanDerWaalsContact O-CB 3.26Å; A25-A29 WeakPolarHBondContact O-CB 3.43Å; A25-A29 PolarHBondContact O-N 3.43Å; L26-A29 PolarHBondContact O-N 3.07Å; A29-S31 VanDerWaalsContact C-N 3.28Å; A29-S31 PolarHBondContact O-N 3Å; A29-G32 WeakPolarHBondContact O-CA 3.38Å; A29-G32 PolarHBondContact O-N 2.89Å; A29-D177 HydrophobicContact CB-CB 3.91Å; A29-A179 HydrophobicContact CB-CB 4Å
30A98.1Very high98.3Very high27 Ų2711.9 Ų11.922%0.2238%0.084CC..Hα-helixtrans-68.3-25.2176.800000113.3L26 G32 I446 Y451L26-A30 VanDerWaalsContact O-CB 3.31Å; L26-A30 WeakPolarHBondContact O-CB 3.46Å; L26-A30 PolarHBondContact O-N 2.75Å; A30-G32 PolarHBondContact O-N 3.19Å; A30-I446 HydrophobicContact CB-CD1 3.74Å; A30-I446 HydrophobicContact CB-CG2 3.99Å; A30-I446 WeakPolarHBondContact O-CG2 3.49Å; A30-Y451 HydrophobicContact CB-CD1 4.41Å; A30-Y451 HydrophobicContact CB-CE1 3.68Å; A30-Y451 HydrophobicContact CB-CE2 4.22Å
31S97.4Very high98.3Very high12 Ų1211.8 Ų11.88%0.0848%0.082CC..THydrogen-bonded Turntrans-74.5-1.7166.8-78.30000113.6Q27 A28 A29 F443 E444Q27-S31 VanDerWaalsContact O-CB 3.29Å; Q27-S31 WeakPolarHBondContact O-CB 3.44Å; Q27-S31 PolarHBondContact O-N 3.26Å; Q27-S31 PolarHBondContact O-OG 3.35Å; A28-S31 PolarHBondContact O-N 2.81Å; A29-S31 VanDerWaalsContact C-N 3.28Å; A29-S31 PolarHBondContact O-N 3Å; S31-F443 WeakPolarHBondContact O-CD1 3.36Å; S31-E444 WeakPolarHBondContact CB-O 3.37Å; S31-E444 PolarHBondContact OG-O 3Å
32G96.3Very high98.3Very high54 Ų5411.8 Ų11.856%0.5578%0.082SC*.THydrogen-bonded Turntrans87.47.917700000115.3A28 A29 A30A28-G32 PolarHBondContact O-N 3.27Å; A29-G32 WeakPolarHBondContact O-CA 3.38Å; A29-G32 PolarHBondContact O-N 2.89Å; A30-G32 PolarHBondContact O-N 3.19Å
33L97.3Very high98.3Very high7 Ų712 Ų124%0.0378%0.083CC..  trans-70.7144.9176.9-75.872.1000110.2D11 L12 A28 V35 M431 I434 L438 F443D11-L33 HydrophobicContact CB-CB 4.19Å; D11-L33 HydrophobicContact CB-CD2 4.35Å; D11-L33 HydrophobicContact CB-CG 4.26Å; L12-L33 HydrophobicContact CB-CD2 4.35Å; A28-L33 HydrophobicContact CB-CB 4.43Å; A28-L33 HydrophobicContact CB-CD2 4.34Å; A28-L33 WeakPolarHBondContact O-CB 3.08Å; A28-L33 WeakPolarHBondContact O-CD1 3.31Å; A28-L33 PolarHBondContact O-N 2.65Å; L33-V35 HydrophobicContact CB-CG2 4.02Å; L33-V35 PolarHBondContact O-N 3.48Å; L33-M431 HydrophobicContact CD1-CE 4.09Å; L33-M431 HydrophobicContact CD2-CE 4.34Å; L33-I434 HydrophobicContact CD2-CG2 3.77Å; L33-L438 HydrophobicContact CD2-CD1 3.68Å; L33-L438 HydrophobicContact CG-CD1 4.21Å; L33-F443 HydrophobicContact CD1-CB 4.05Å; L33-F443 HydrophobicContact CD1-CD1 3.53Å; L33-F443 HydrophobicContact CD1-CD2 4.34Å; L33-F443 HydrophobicContact CD1-CE1 4.01Å; L33-F443 HydrophobicContact CD1-CG 3.72Å; L33-F443 HydrophobicContact CG-CD1 4.06Å; L33-F443 HydrophobicContact CG-CD2 4.47Å; L33-F443 HydrophobicContact CG-CE1 4.05Å; L33-F443 HydrophobicContact CG-CE2 4.46Å; L33-F443 HydrophobicContact CG-CG 4.27Å; L33-F443 HydrophobicContact CG-CZ 4.25Å
34S96.9Very high98.3Very high43 Ų4312 Ų1230%0.3018%0.084SC..  trans-75.7112.2164.158.40000110F10 D11 L12F10-S34 WeakPolarHBondContact CA-OG 3.1Å; D11-S34 VanDerWaalsContact CG-OG 3.31Å; D11-S34 PolarHBondContact N-O 3.42Å; D11-S34 PolarHBondContact N-OG 2.9Å; D11-S34 PolarHBondContact OD2-N 2.91Å; D11-S34 PolarHBondContact OD2-OG 2.96Å; L12-S34 PolarHBondContact N-O 2.84Å
35V98.4Very high98.3Very high1 Ų112.7 Ų12.71%0.0069%0.087CC..EExtended strand (participates in β ladder)trans-115.2134.7-171.3178.30000111.5L12 I14 A25 A28 L33 A179 I180L12-V35 WeakPolarHBondContact O-CA 3.37Å; I14-V35 HydrophobicContact CD1-CG1 3.65Å; I14-V35 HydrophobicContact CG1-CG1 4.34Å; A25-V35 HydrophobicContact CB-CG1 4.38Å; A28-V35 HydrophobicContact CB-CG2 3.5Å; L33-V35 HydrophobicContact CB-CG2 4.02Å; L33-V35 PolarHBondContact O-N 3.48Å; V35-A179 HydrophobicContact CB-CB 4.01Å; V35-A179 HydrophobicContact CG1-CB 4.22Å; V35-I180 PolarHBondContact O-N 2.97Å
36A98.5Very high98.2Very high0 Ų013.2 Ų13.20%09%0.092CC..EExtended strand (participates in β ladder)trans-116.1119.9162.900000110.3L5 F10 L12 I13 I14 I180L5-A36 HydrophobicContact CD2-CB 3.74Å; F10-A36 HydrophobicContact CD1-CB 3.78Å; F10-A36 HydrophobicContact CD2-CB 3.99Å; F10-A36 HydrophobicContact CE1-CB 3.81Å; F10-A36 HydrophobicContact CE2-CB 4.02Å; F10-A36 HydrophobicContact CG-CB 3.88Å; F10-A36 HydrophobicContact CZ-CB 3.93Å; L12-A36 PolarHBondContact O-N 3.1Å; I13-A36 CarbonylContact C-O 3.47Å; I13-A36 WeakPolarHBondContact CA-O 3.39Å; I13-A36 HydrophobicContact CG1-CB 4.16Å; I14-A36 PolarHBondContact N-O 2.89Å; A36-I180 CarbonylContact C-O 3.58Å; A36-I180 WeakPolarHBondContact CA-O 3.47Å
37L98.8Very high98.2Very high1 Ų114.4 Ų14.41%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-105.2128.5173.1179.1153.4000109.4I14 A25 F43 I180 A181 V182I14-L37 HydrophobicContact CB-CB 4.37Å; I14-L37 HydrophobicContact CB-CG 4.43Å; I14-L37 HydrophobicContact CG2-CD1 4.29Å; I14-L37 HydrophobicContact CG2-CG 4.41Å; I14-L37 WeakPolarHBondContact O-CA 3.42Å; A25-L37 HydrophobicContact CB-CB 4.48Å; A25-L37 HydrophobicContact CB-CD1 3.65Å; L37-F43 HydrophobicContact CD2-CD1 4.22Å; L37-F43 HydrophobicContact CD2-CE1 3.53Å; L37-F43 HydrophobicContact CD2-CZ 4.38Å; L37-I180 PolarHBondContact N-O 2.8Å; L37-A181 HydrophobicContact CB-CB 4.13Å; L37-A181 HydrophobicContact CD2-CB 4.16Å; L37-A181 WeakPolarHBondContact O-CA 3.26Å; L37-V182 PolarHBondContact O-N 2.92Å
38L98.7Very high98.1Very high2 Ų215 Ų151%0.0110%0.104CC..EExtended strand (participates in β ladder)trans-123.7117.3-173.2-54.4170.2000109.6L5 I13 I14 G16 M185 V187 V201 V203L5-L38 HydrophobicContact CD1-CD2 3.85Å; L5-L38 HydrophobicContact CD2-CD2 4.17Å; I13-L38 HydrophobicContact CG2-CD1 3.78Å; I14-L38 PolarHBondContact O-N 2.99Å; G16-L38 PolarHBondContact N-O 2.87Å; L38-M185 HydrophobicContact CD2-CB 4.3Å; L38-V187 HydrophobicContact CB-CG2 4.47Å; L38-V187 HydrophobicContact CD1-CG2 4.3Å; L38-V201 HydrophobicContact CD1-CG2 3.77Å; L38-V203 HydrophobicContact CD1-CG1 3.66Å
39E98.8Very high98.1Very high19 Ų1915.8 Ų15.89%0.08911%0.11CC..  trans-119130.1178.7174.343.3-113.500110G17 Q41 D42 F43 V182 S183 R184 M185G17-E39 WeakPolarHBondContact CA-OE2 3.37Å; G17-E39 PolarHBondContact N-OE2 3.05Å; E39-Q41 WeakPolarHBondContact CG-O 3.48Å; E39-Q41 WeakPolarHBondContact OE1-CB 3.44Å; E39-Q41 PolarHBondContact OE1-N 2.98Å; E39-D42 WeakPolarHBondContact CG-O 3.5Å; E39-F43 HydrophobicContact CB-CD1 3.86Å; E39-F43 HydrophobicContact CB-CE1 3.87Å; E39-F43 HydrophobicContact CG-CD1 4.08Å; E39-V182 PolarHBondContact N-O 3.04Å; E39-V182 VanDerWaalsContact N-O 3.09Å; E39-S183 CarbonylContact O-C 3.59Å; E39-S183 VanDerWaalsContact O-C 3.31Å; E39-R184 CarbonylContact O-C 3.55Å; E39-R184 PolarHBondContact O-N 3.24Å; E39-M185 CarbonylContact C-O 3.56Å; E39-M185 CarbonylContact O-C 3.6Å; E39-M185 PolarHBondContact O-N 3.35Å
40M98.3Very high98.1Very high42 Ų4217.4 Ų17.421%0.20712%0.115CC..SBendtrans-76.3-24.7-174.568.9168.8-148.600114K186 W226 N299M40-K186 HydrophobicContact CB-CB 3.74Å; M40-K186 HydrophobicContact CB-CG 3.88Å; M40-K186 HydrophobicContact SD-CD 4.45Å; M40-K186 HydrophobicContact SD-CG 4.45Å; M40-W226 HydrophobicContact CE-CZ2 4.26Å; M40-N299 WeakPolarHBondContact CE-OD1 3.5Å
41Q98.2Very high98Very high18 Ų1817.6 Ų17.68%0.08412%0.115CC..SBendtrans-112.2-158.9178.4-81.6178.4109.100109.1E39 E45 S183 R184E39-Q41 WeakPolarHBondContact CG-O 3.48Å; E39-Q41 WeakPolarHBondContact OE1-CB 3.44Å; E39-Q41 PolarHBondContact OE1-N 2.98Å; Q41-E45 HydrophobicContact CB-CB 3.93Å; Q41-E45 HydrophobicContact CB-CG 4.06Å; Q41-E45 VanDerWaalsContact CB-OE2 3.28Å; Q41-E45 WeakPolarHBondContact CB-OE2 3.36Å; Q41-E45 HydrophobicContact CG-CG 4.43Å; Q41-S183 WeakPolarHBondContact O-CB 3.24Å; Q41-R184 WeakPolarHBondContact O-CD 3.44Å; Q41-R184 PolarHBondContact O-N 3.31Å
42D98.7Very high97.9Very high0 Ų018.3 Ų18.30%012%0.119CC..SBendtrans-73158.3163.2-177.431.8000111E39 A44 E45 D532 R536 R537E39-D42 WeakPolarHBondContact CG-O 3.5Å; D42-A44 PolarHBondContact O-N 2.87Å; D42-E45 HydrophobicContact CB-CB 4.18Å; D42-E45 PolarHBondContact N-OE2 3.24Å; D42-E45 VanDerWaalsContact O-CB 3.26Å; D42-E45 WeakPolarHBondContact O-CB 3.44Å; D42-E45 PolarHBondContact O-N 3.3Å; D42-E45 VanDerWaalsContact O-N 3.12Å; D42-D532 VanDerWaalsContact CB-OD1 3.27Å; D42-D532 WeakPolarHBondContact CB-OD1 3.17Å; D42-D532 WeakPolarHBondContact OD2-CB 3.41Å; D42-R536 WeakPolarHBondContact OD2-CD 3.42Å; D42-R536 IonicContact OD2-CZ 3.45Å; D42-R536 IonicContact OD2-NE 2.87Å; D42-R536 PolarHBondContact OD2-NE 3.37Å; D42-R536 IonicContact OD2-NH2 2.81Å; D42-R537 IonicContact OD1-CZ 2.73Å; D42-R537 IonicContact OD1-NH1 3.05Å; D42-R537 IonicContact OD1-NH2 2.99Å; D42-R537 PolarHBondContact OD1-NH2 2.69Å; D42-R537 IonicContact OD2-CZ 3.76Å; D42-R537 IonicContact OD2-NH1 3.89Å; D42-R537 PolarHBondContact OD2-NH1 3.39Å; D42-R537 IonicContact OD2-NH2 2.85Å; D42-R537 PolarHBondContact OD2-NH2 2.99Å
43F98.8Very high97.9Very high4 Ų416.1 Ų16.12%0.0189%0.094CC..THydrogen-bonded Turntrans-56.5136.9170.6-60.4-47.7000110.7L37 E39 E45 I168 I171 A181 M526L37-F43 HydrophobicContact CD2-CD1 4.22Å; L37-F43 HydrophobicContact CD2-CE1 3.53Å; L37-F43 HydrophobicContact CD2-CZ 4.38Å; E39-F43 HydrophobicContact CB-CD1 3.86Å; E39-F43 HydrophobicContact CB-CE1 3.87Å; E39-F43 HydrophobicContact CG-CD1 4.08Å; F43-E45 PolarHBondContact O-N 3.3Å; F43-I168 HydrophobicContact CB-CD1 4.24Å; F43-I168 HydrophobicContact CD2-CD1 3.82Å; F43-I168 HydrophobicContact CG-CD1 4.44Å; F43-I171 HydrophobicContact CB-CD1 3.62Å; F43-I171 HydrophobicContact CD1-CD1 3.38Å; F43-I171 HydrophobicContact CD2-CD1 3.96Å; F43-I171 HydrophobicContact CD2-CG2 4.28Å; F43-I171 HydrophobicContact CE1-CD1 3.97Å; F43-I171 HydrophobicContact CE2-CD1 4.46Å; F43-I171 HydrophobicContact CE2-CG2 4.03Å; F43-I171 HydrophobicContact CG-CD1 3.37Å; F43-I171 HydrophobicContact CZ-CD1 4.46Å; F43-I171 HydrophobicContact CZ-CG2 4.21Å; F43-A181 HydrophobicContact CE1-CB 4.45Å; F43-A181 HydrophobicContact CZ-CB 3.9Å; F43-M526 HydrophobicContact CE2-CB 4.12Å; F43-M526 HydrophobicContact CE2-CE 4.44Å; F43-M526 HydrophobicContact CE2-CG 4.37Å; F43-M526 HydrophobicContact CE2-SD 3.61Å; F43-M526 HydrophobicContact CZ-SD 3.92Å
44A98.6Very high97.8Very high2 Ų216.3 Ų16.32%0.01710%0.095CC..THydrogen-bonded Turntrans65.4-2.5-173.300000117.5G17 D42 G46 S49 A164 V167G17-A44 PolarHBondContact O-N 3.27Å; D42-A44 PolarHBondContact O-N 2.87Å; A44-G46 PolarHBondContact O-N 3.26Å; A44-G46 VanDerWaalsContact O-N 3.1Å; A44-S49 WeakPolarHBondContact O-CB 3.5Å; A44-S49 PolarHBondContact O-N 3.46Å; A44-S49 VanDerWaalsContact O-N 3.14Å; A44-S49 PolarHBondContact O-OG 2.73Å; A44-A164 HydrophobicContact CB-CB 4.19Å; A44-V167 HydrophobicContact CB-CB 3.75Å; A44-V167 HydrophobicContact CB-CG1 3.86Å; A44-V167 HydrophobicContact CB-CG2 3.85Å
45E98.6Very high97.5Very high15 Ų1514.3 Ų14.37%0.078%0.081CC..  trans-65.4-17.8-173.4-176.8157.5-137.100114.6Q41 D42 F43 R50 R184 R536Q41-E45 HydrophobicContact CB-CB 3.93Å; Q41-E45 HydrophobicContact CB-CG 4.06Å; Q41-E45 VanDerWaalsContact CB-OE2 3.28Å; Q41-E45 WeakPolarHBondContact CB-OE2 3.36Å; Q41-E45 HydrophobicContact CG-CG 4.43Å; D42-E45 HydrophobicContact CB-CB 4.18Å; D42-E45 PolarHBondContact N-OE2 3.24Å; D42-E45 VanDerWaalsContact O-CB 3.26Å; D42-E45 WeakPolarHBondContact O-CB 3.44Å; D42-E45 PolarHBondContact O-N 3.3Å; D42-E45 VanDerWaalsContact O-N 3.12Å; F43-E45 PolarHBondContact O-N 3.3Å; E45-R50 PolarHBondContact O-NE 2.79Å; E45-R50 VanDerWaalsContact O-NE 3.16Å; E45-R50 PolarHBondContact O-NH2 3.4Å; E45-R184 IonicContact OE2-CZ 2.76Å; E45-R184 IonicContact OE2-NH1 3.5Å; E45-R184 IonicContact OE2-NH2 3.12Å; E45-R536 VanDerWaalsContact CD-CZ 3.45Å; E45-R536 VanDerWaalsContact CD-NH2 3.34Å; E45-R536 IonicContact OE1-CZ 3.72Å; E45-R536 IonicContact OE1-NH1 3.59Å; E45-R536 PolarHBondContact OE1-NH1 2.95Å; E45-R536 IonicContact OE1-NH2 3.32Å; E45-R536 PolarHBondContact OE1-NH2 2.72Å; E45-R536 IonicContact OE2-CZ 2.68Å; E45-R536 IonicContact OE2-NH2 3.37Å
46G97.8Very high96.8Very high12 Ų1216.2 Ų16.212%0.1249%0.09CC..SBendtrans-72.5-147.216700000113.4A44 S48 S49 R50A44-G46 PolarHBondContact O-N 3.26Å; A44-G46 VanDerWaalsContact O-N 3.1Å; G46-S48 PolarHBondContact O-N 3.2Å; G46-S48 VanDerWaalsContact O-N 3.16Å; G46-S49 PolarHBondContact O-N 3.28Å; G46-S49 PolarHBondContact O-OG 2.96Å; G46-R50 WeakPolarHBondContact O-CG 3.5Å
47T97.5Very high95.8Very high33 Ų3316.2 Ų16.220%0.2029%0.09CC..G310 helixtrans-60-28.7-176.5-47.90000113.8S49 R50 L336T47-S49 PolarHBondContact O-N 2.91Å; T47-S49 VanDerWaalsContact O-N 3.08Å; T47-R50 PolarHBondContact O-N 3.2Å; T47-L336 WeakPolarHBondContact CB-O 2.99Å; T47-L336 WeakPolarHBondContact CG2-O 3.28Å; T47-L336 PolarHBondContact OG1-O 2.94Å
48S98.1Very high94.9Very high17 Ų1716.3 Ų16.312%0.1199%0.091CC..G310 helixtrans-72.55-174.4-53.70000115.6I19 G46 D163 A164I19-S48 WeakPolarHBondContact CG2-OG 3.46Å; I19-S48 PolarHBondContact N-OG 3.15Å; G46-S48 PolarHBondContact O-N 3.2Å; G46-S48 VanDerWaalsContact O-N 3.16Å; S48-D163 CarbonylContact O-C 3.31Å; S48-D163 WeakPolarHBondContact O-CB 3.16Å; S48-D163 VanDerWaalsContact O-CG 3.31Å; S48-A164 PolarHBondContact O-N 2.67Å
49S97.9Very high94.2Very high17 Ų1716.4 Ų16.412%0.1199%0.091CC..G310 helixtrans-118.13.3165.955.80000112.7A44 G46 T47 K53A44-S49 WeakPolarHBondContact O-CB 3.5Å; A44-S49 PolarHBondContact O-N 3.46Å; A44-S49 VanDerWaalsContact O-N 3.14Å; A44-S49 PolarHBondContact O-OG 2.73Å; G46-S49 PolarHBondContact O-N 3.28Å; G46-S49 PolarHBondContact O-OG 2.96Å; T47-S49 PolarHBondContact O-N 2.91Å; T47-S49 VanDerWaalsContact O-N 3.08Å; S49-K53 PolarHBondContact O-NZ 3.17Å
50R97.7Very high93.4Very high40 Ų4016.9 Ų16.915%0.1519%0.092CC..SBendtrans-125.722.8-166.9-48.3-168.1-161.3-154.71.4112.3E45 G46 T47 D163 N299 W333 A334E45-R50 PolarHBondContact O-NE 2.79Å; E45-R50 VanDerWaalsContact O-NE 3.16Å; E45-R50 PolarHBondContact O-NH2 3.4Å; G46-R50 WeakPolarHBondContact O-CG 3.5Å; T47-R50 PolarHBondContact O-N 3.2Å; R50-D163 PolarHBondContact N-OD2 3.19Å; R50-N299 PolarHBondContact NH2-O 3.01Å; R50-W333 PolarHBondContact O-NE1 3.33Å; R50-A334 WeakPolarHBondContact CD-O 3.33Å; R50-A334 PolarHBondContact NH1-O 2.94Å
51S96Very high92.4Very high30 Ų3015.7 Ų15.721%0.219%0.085CC..SBendtrans-84.7179.2176.2760000112K53 D163 W333S51-K53 PolarHBondContact O-N 2.91Å; S51-K53 VanDerWaalsContact O-N 3.16Å; S51-K53 PolarHBondContact O-NZ 3.46Å; S51-K53 PolarHBondContact OG-N 2.86Å; S51-D163 WeakPolarHBondContact CB-OD2 3.37Å; S51-D163 PolarHBondContact N-OD2 2.79Å; S51-D163 PolarHBondContact OG-OD2 3.44Å; S51-W333 WeakPolarHBondContact O-CZ2 3.41Å; S51-W333 PolarHBondContact O-NE1 2.86Å
52T95.9Very high91.7Very high28 Ų2815.2 Ų15.217%0.1728%0.083CC..  trans-67.5-0.4167.2-48.60000112.8L54 H250 F277 I279 Y286T52-L54 VanDerWaalsContact C-N 3.26Å; T52-L54 HydrophobicContact CG2-CD1 4.14Å; T52-L54 HydrophobicContact CG2-CG 4.28Å; T52-L54 PolarHBondContact O-N 3.11Å; T52-H250 VanDerWaalsContact CA-NE2 3.31Å; T52-H250 WeakPolarHBondContact CA-NE2 3.49Å; T52-H250 WeakPolarHBondContact CB-NE2 3.29Å; T52-H250 PolarHBondContact OG1-NE2 3.17Å; T52-F277 HydrophobicContact CG2-CB 4.43Å; T52-F277 HydrophobicContact CG2-CD2 3.9Å; T52-F277 HydrophobicContact CG2-CE2 4.43Å; T52-F277 HydrophobicContact CG2-CG 4.24Å; T52-I279 HydrophobicContact CG2-CD1 3.81Å; T52-Y286 PolarHBondContact O-OH 3.5Å
53K97.3Very high90.7Very high8 Ų817.9 Ų17.94%0.03510%0.095CC..SBendtrans57.839.2175.7-67.9148.2175.754.20112.7S49 S51 N161 D163 R281 W333 F543S49-K53 PolarHBondContact O-NZ 3.17Å; S51-K53 PolarHBondContact O-N 2.91Å; S51-K53 VanDerWaalsContact O-N 3.16Å; S51-K53 PolarHBondContact O-NZ 3.46Å; S51-K53 PolarHBondContact OG-N 2.86Å; K53-N161 WeakPolarHBondContact CB-O 3.45Å; K53-N161 PolarHBondContact O-N 2.87Å; K53-N161 VanDerWaalsContact O-O 3.07Å; K53-D163 WeakPolarHBondContact CG-OD1 3.32Å; K53-D163 IonicContact NZ-OD1 3.88Å; K53-D163 IonicContact NZ-OD2 3.18Å; K53-D163 PolarHBondContact NZ-OD2 2.72Å; K53-R281 PolarHBondContact O-NH2 3.33Å; K53-W333 HydrophobicContact CD-CH2 3.99Å; K53-W333 HydrophobicContact CD-CZ2 3.84Å; K53-F543 HydrophobicContact CD-CE2 4.21Å; K53-F543 HydrophobicContact CD-CZ 4.02Å
54L94.5Very high89.5Confident11 Ų1119.2 Ų19.26%0.05810%0.104CC..EExtended strand (participates in β ladder)trans-128148172.9-62.6-179.4000109.9T52 H56 M93 Y159 R160 F277 I279T52-L54 VanDerWaalsContact C-N 3.26Å; T52-L54 HydrophobicContact CG2-CD1 4.14Å; T52-L54 HydrophobicContact CG2-CG 4.28Å; T52-L54 PolarHBondContact O-N 3.11Å; L54-H56 HydrophobicContact CB-CB 4.41Å; L54-M93 HydrophobicContact CD1-CE 3.86Å; L54-Y159 CarbonylContact C-O 3.52Å; L54-Y159 VanDerWaalsContact CA-O 3.32Å; L54-Y159 WeakPolarHBondContact CA-O 3.29Å; L54-R160 HydrophobicContact CD2-CB 4.34Å; L54-F277 HydrophobicContact CD1-CD1 4.02Å; L54-F277 HydrophobicContact CD1-CE1 3.97Å; L54-F277 HydrophobicContact CD1-CZ 4.44Å; L54-I279 HydrophobicContact CD1-CD1 3.72Å; L54-I279 HydrophobicContact CD2-CD1 4.08Å; L54-I279 HydrophobicContact CG-CD1 3.94Å
55V91Very high88.5Confident0 Ų021.5 Ų21.50%011%0.113CC..EExtended strand (participates in β ladder)trans-101.681.6159.1-176.70000106.3R77 I80 P88 Y159 N161 L420 T421V55-R77 HydrophobicContact CB-CG 4.4Å; V55-R77 HydrophobicContact CG1-CB 3.84Å; V55-R77 HydrophobicContact CG1-CG 3.71Å; V55-R77 WeakPolarHBondContact O-CD 3.26Å; V55-I80 HydrophobicContact CG1-CD1 4.49Å; V55-P88 HydrophobicContact CG2-CB 4.22Å; V55-Y159 PolarHBondContact N-O 3.44Å; V55-N161 HydrophobicContact CG2-CB 3.88Å; V55-L420 HydrophobicContact CG2-CD2 3.86Å; V55-T421 HydrophobicContact CG1-CG2 3.44Å; V55-T421 VanDerWaalsContact CG1-CG2 3.44Å
56H83.9Confident87.5Confident42 Ų4221.8 Ų21.819%0.19412%0.115CC..  trans-90.4142.8-17877.597.9000110.7L54 G58 T73 D158L54-H56 HydrophobicContact CB-CB 4.41Å; H56-G58 VanDerWaalsContact C-N 3.33Å; H56-G58 PolarHBondContact ND1-N 3.47Å; H56-T73 WeakPolarHBondContact O-CG2 3.38Å; H56-D158 VanDerWaalsContact CA-OD1 3.3Å; H56-D158 WeakPolarHBondContact CA-OD1 3.41Å
57G76.5Confident86.9Confident0 Ų023.5 Ų23.50%012%0.123CC..  trans-87-1.2178.500000114.5Y117 D158G57-Y117 WeakPolarHBondContact CA-OH 3.2Å; G57-Y117 PolarHBondContact N-OH 3.19Å; G57-D158 PolarHBondContact N-OD1 3.4Å; G57-D158 VanDerWaalsContact N-OD1 3.07Å
58G79.7Confident86Confident3 Ų327.9 Ų27.93%0.03114%0.141CC..  trans75.545.6171.300000114.3H56 R60 Y61H56-G58 VanDerWaalsContact C-N 3.33Å; H56-G58 PolarHBondContact ND1-N 3.47Å; G58-R60 PolarHBondContact O-N 2.77Å; G58-Y61 WeakPolarHBondContact O-CB 3.5Å; G58-Y61 WeakPolarHBondContact O-CD2 3.36Å; G58-Y61 PolarHBondContact O-N 3.36Å
59L85Confident85.1Confident3 Ų327.8 Ų27.82%0.01614%0.14CC..G310 helixtrans-42.5-38.4175.7-176.874.7000113.1Y61 L62 L95 A113 M114 Y117 Y156L59-Y61 VanDerWaalsContact C-N 3.27Å; L59-Y61 PolarHBondContact O-N 3.36Å; L59-L62 HydrophobicContact CD1-CD1 4.05Å; L59-L62 VanDerWaalsContact O-CB 3.28Å; L59-L62 WeakPolarHBondContact O-CB 3.32Å; L59-L62 PolarHBondContact O-N 2.99Å; L59-L95 HydrophobicContact CD2-CD1 3.7Å; L59-A113 HydrophobicContact CD1-CB 4.24Å; L59-M114 HydrophobicContact CD1-CG 4.31Å; L59-M114 HydrophobicContact CD2-CG 4.25Å; L59-Y117 HydrophobicContact CB-CD2 4.26Å; L59-Y117 HydrophobicContact CB-CE2 4.13Å; L59-Y117 HydrophobicContact CD1-CD1 4.32Å; L59-Y117 HydrophobicContact CD1-CD2 3.8Å; L59-Y117 HydrophobicContact CD1-CE2 4.46Å; L59-Y117 HydrophobicContact CD1-CG 3.69Å; L59-Y156 HydrophobicContact CB-CE2 4.02Å; L59-Y156 HydrophobicContact CD2-CD1 3.85Å; L59-Y156 HydrophobicContact CD2-CD2 4.26Å; L59-Y156 HydrophobicContact CD2-CE1 3.56Å; L59-Y156 HydrophobicContact CD2-CE2 4Å; L59-Y156 HydrophobicContact CD2-CG 4.19Å
60R81.5Confident84.4Confident29 Ų2927 Ų2711%0.10913%0.134CC..G310 helixtrans-57.5-32.5178.1-179.9175.6168.1170.5-4.9114.2G58 L62 K63 T104 G273 M275 N348 G349G58-R60 PolarHBondContact O-N 2.77Å; R60-L62 PolarHBondContact O-N 2.88Å; R60-K63 WeakPolarHBondContact O-CB 3.47Å; R60-K63 PolarHBondContact O-N 2.85Å; R60-T104 HydrophobicContact CG-CG2 4.35Å; R60-G273 PolarHBondContact NH1-O 2.93Å; R60-G273 PolarHBondContact NH2-O 3.34Å; R60-M275 HydrophobicContact CG-SD 4.43Å; R60-N348 PolarHBondContact NH1-O 2.86Å; R60-N348 PolarHBondContact NH2-O 3.44Å; R60-G349 VanDerWaalsContact NH2-C 3.29Å; R60-G349 PolarHBondContact NH2-O 3.15Å
61Y77.5Confident83.8Confident17 Ų1726.2 Ų26.27%0.06714%0.137CC..G310 helixtrans-64-19.4177.6-63-58.1000112.7G58 L59 K63 T64 F65 D66 V70 D346 K419G58-Y61 WeakPolarHBondContact O-CB 3.5Å; G58-Y61 WeakPolarHBondContact O-CD2 3.36Å; G58-Y61 PolarHBondContact O-N 3.36Å; L59-Y61 VanDerWaalsContact C-N 3.27Å; L59-Y61 PolarHBondContact O-N 3.36Å; Y61-K63 PolarHBondContact O-N 2.93Å; Y61-T64 PolarHBondContact O-N 2.92Å; Y61-T64 VanDerWaalsContact O-N 3.16Å; Y61-T64 PolarHBondContact O-OG1 2.86Å; Y61-T64 VanDerWaalsContact O-OG1 3.06Å; Y61-F65 PolarHBondContact O-N 2.69Å; Y61-D66 PolarHBondContact O-N 2.83Å; Y61-D66 VanDerWaalsContact O-N 3.13Å; Y61-V70 HydrophobicContact CD2-CG2 4.46Å; Y61-D346 VanDerWaalsContact CE1-O 3.25Å; Y61-D346 WeakPolarHBondContact CE1-O 3.12Å; Y61-D346 VanDerWaalsContact CZ-O 3.31Å; Y61-D346 PolarHBondContact OH-O 3.1Å; Y61-K419 VanDerWaalsContact CZ-NZ 3.28Å; Y61-K419 PolarHBondContact OH-NZ 3.26Å
62L83.4Confident83.2Confident8 Ų827.2 Ų27.24%0.04214%0.14CC..G310 helixtrans-66.1-17.7171.5-61.5-178.3000112.6L59 R60 F65 V67 V70 A113 L116 Y117L59-L62 HydrophobicContact CD1-CD1 4.05Å; L59-L62 VanDerWaalsContact O-CB 3.28Å; L59-L62 WeakPolarHBondContact O-CB 3.32Å; L59-L62 PolarHBondContact O-N 2.99Å; R60-L62 PolarHBondContact O-N 2.88Å; L62-F65 PolarHBondContact O-N 2.97Å; L62-V67 HydrophobicContact CD2-CG1 4.05Å; L62-V70 HydrophobicContact CD2-CB 4Å; L62-V70 HydrophobicContact CD2-CG1 4.05Å; L62-V70 HydrophobicContact CD2-CG2 3.75Å; L62-V70 HydrophobicContact CG-CG1 4.33Å; L62-V70 HydrophobicContact CG-CG2 4.05Å; L62-A113 HydrophobicContact CB-CB 4.38Å; L62-A113 HydrophobicContact CD1-CB 4.16Å; L62-A113 WeakPolarHBondContact CD1-O 3.32Å; L62-L116 HydrophobicContact CD1-CB 4.34Å; L62-L116 HydrophobicContact CD1-CD2 4.33Å; L62-L116 HydrophobicContact CD1-CG 4.36Å; L62-L116 HydrophobicContact CD2-CD2 3.88Å; L62-L116 HydrophobicContact CD2-CG 4.37Å; L62-Y117 HydrophobicContact CD1-CD2 4.36Å
63K77.5Confident82.7Confident56 Ų5626 Ų2624%0.24313%0.133CC..G310 helixtrans-67.3-36.2172.7-174.761.4176.9-160.80112.4R60 Y61 F65 T104 F105 F360R60-K63 WeakPolarHBondContact O-CB 3.47Å; R60-K63 PolarHBondContact O-N 2.85Å; Y61-K63 PolarHBondContact O-N 2.93Å; K63-F65 VanDerWaalsContact C-N 3.31Å; K63-T104 HydrophobicContact CB-CG2 4.35Å; K63-T104 VanDerWaalsContact CD-O 3.31Å; K63-T104 WeakPolarHBondContact CD-O 3.07Å; K63-T104 WeakPolarHBondContact CE-O 3.32Å; K63-T104 HydrophobicContact CG-CG2 4.27Å; K63-T104 PolarHBondContact NZ-O 2.92Å; K63-F105 HydrophobicContact CB-CE1 4.27Å; K63-F105 HydrophobicContact CB-CZ 4.27Å; K63-F105 HydrophobicContact CD-CE1 4.41Å; K63-F360 HydrophobicContact CD-CZ 4.4Å
64T72.7Confident82.3Confident33 Ų3325.7 Ų25.720%0.20213%0.131CC..THydrogen-bonded Turntrans-91.44.9174.248.30000112.5Y61 D66Y61-T64 PolarHBondContact O-N 2.92Å; Y61-T64 VanDerWaalsContact O-N 3.16Å; Y61-T64 PolarHBondContact O-OG1 2.86Å; Y61-T64 VanDerWaalsContact O-OG1 3.06Å; T64-D66 PolarHBondContact O-N 2.89Å; T64-D66 PolarHBondContact OG1-OD2 2.99Å
65F79.5Confident82Confident50 Ų5027.8 Ų27.822%0.21915%0.147CC..THydrogen-bonded Turntrans6028.6-178-151.9-107.2000114Y61 L62 K63 V67 I363 I384Y61-F65 PolarHBondContact O-N 2.69Å; L62-F65 PolarHBondContact O-N 2.97Å; K63-F65 VanDerWaalsContact C-N 3.31Å; F65-V67 HydrophobicContact CD1-CG1 4.35Å; F65-V67 HydrophobicContact CD2-CG1 4.12Å; F65-V67 HydrophobicContact CE1-CG1 4.28Å; F65-V67 HydrophobicContact CE2-CG1 4.06Å; F65-V67 HydrophobicContact CG-CG1 4.26Å; F65-V67 HydrophobicContact CZ-CG1 4.14Å; F65-V67 PolarHBondContact O-N 3.27Å; F65-I363 HydrophobicContact CD2-CD1 4.28Å; F65-I363 HydrophobicContact CE2-CD1 4.25Å; F65-I363 HydrophobicContact CE2-CG2 4.22Å; F65-I363 HydrophobicContact CG-CD1 4.42Å; F65-I363 HydrophobicContact CZ-CD1 4.37Å; F65-I384 HydrophobicContact CE1-CG2 3.56Å; F65-I384 HydrophobicContact CZ-CG2 3.52Å
66D77.7Confident82Confident21 Ų2128.2 Ų28.211%0.11215%0.149CC..  trans-76.557.7174.4-73.9-46.8000110.8Y61 T64 E68 V69 V70 K352Y61-D66 PolarHBondContact O-N 2.83Å; Y61-D66 VanDerWaalsContact O-N 3.13Å; T64-D66 PolarHBondContact O-N 2.89Å; T64-D66 PolarHBondContact OG1-OD2 2.99Å; D66-E68 VanDerWaalsContact C-N 3.33Å; D66-E68 PolarHBondContact O-N 3.05Å; D66-V69 HydrophobicContact CB-CB 4.41Å; D66-V69 HydrophobicContact CB-CG2 4.35Å; D66-V69 PolarHBondContact O-N 2.9Å; D66-V70 PolarHBondContact O-N 3.19Å; D66-K352 IonicContact OD1-NZ 3.85Å; D66-K352 PolarHBondContact OD1-NZ 3.39Å; D66-K352 VanDerWaalsContact OD1-NZ 3.12Å; D66-K352 IonicContact OD2-NZ 2.79Å; D66-K352 PolarHBondContact OD2-NZ 3.17Å; D66-K352 VanDerWaalsContact OD2-NZ 3.12Å
67V83.4Confident82.3Confident47 Ų4726.4 Ų26.429%0.28514%0.14SC..Hα-helixtrans-64.3-32.3-171.2-64.70000113.7L62 F65 V70 A71 L116L62-V67 HydrophobicContact CD2-CG1 4.05Å; F65-V67 HydrophobicContact CD1-CG1 4.35Å; F65-V67 HydrophobicContact CD2-CG1 4.12Å; F65-V67 HydrophobicContact CE1-CG1 4.28Å; F65-V67 HydrophobicContact CE2-CG1 4.06Å; F65-V67 HydrophobicContact CG-CG1 4.26Å; F65-V67 HydrophobicContact CZ-CG1 4.14Å; F65-V67 PolarHBondContact O-N 3.27Å; V67-V70 PolarHBondContact O-N 2.97Å; V67-A71 VanDerWaalsContact O-CB 3.29Å; V67-A71 WeakPolarHBondContact O-CB 3.27Å; V67-A71 PolarHBondContact O-N 3.27Å; V67-L116 HydrophobicContact CG1-CD2 4.02Å
68E80.2Confident83Confident125 Ų12528.8 Ų28.858%0.58416%0.16SC*.Hα-helixtrans-66.3-44178.2-174.2176.8-175.300111D66 V70 A71 D72D66-E68 VanDerWaalsContact C-N 3.33Å; D66-E68 PolarHBondContact O-N 3.05Å; E68-V70 VanDerWaalsContact C-N 3.34Å; E68-V70 PolarHBondContact O-N 3.46Å; E68-A71 PolarHBondContact O-N 3.12Å; E68-D72 PolarHBondContact O-N 3.04Å
69V77.8Confident83.6Confident15 Ų1530 Ų309%0.09117%0.165CC..Hα-helixtrans-61-46.4175.9179.60000110.1D66 A71 D72 T73 S400D66-V69 HydrophobicContact CB-CB 4.41Å; D66-V69 HydrophobicContact CB-CG2 4.35Å; D66-V69 PolarHBondContact O-N 2.9Å; V69-A71 PolarHBondContact O-N 3.4Å; V69-D72 PolarHBondContact O-N 3.42Å; V69-T73 WeakPolarHBondContact O-CB 3.34Å; V69-T73 PolarHBondContact O-N 3.46Å; V69-T73 PolarHBondContact O-OG1 2.87Å; V69-S400 WeakPolarHBondContact CG2-OG 3.37Å
70V83.8Confident84.1Confident0 Ų029.9 Ų29.90%017%0.165CC..Hα-helixtrans-63-43.8178.8176.60000111.1Y61 L62 D66 V67 E68 D72 T73 V74 Y117 L120Y61-V70 HydrophobicContact CD2-CG2 4.46Å; L62-V70 HydrophobicContact CD2-CB 4Å; L62-V70 HydrophobicContact CD2-CG1 4.05Å; L62-V70 HydrophobicContact CD2-CG2 3.75Å; L62-V70 HydrophobicContact CG-CG1 4.33Å; L62-V70 HydrophobicContact CG-CG2 4.05Å; D66-V70 PolarHBondContact O-N 3.19Å; V67-V70 PolarHBondContact O-N 2.97Å; E68-V70 VanDerWaalsContact C-N 3.34Å; E68-V70 PolarHBondContact O-N 3.46Å; V70-D72 PolarHBondContact O-N 2.93Å; V70-T73 PolarHBondContact O-N 3.49Å; V70-V74 HydrophobicContact CG1-CG1 4.13Å; V70-V74 WeakPolarHBondContact O-CG1 3.39Å; V70-V74 VanDerWaalsContact O-CG2 3.24Å; V70-V74 WeakPolarHBondContact O-CG2 3.41Å; V70-V74 PolarHBondContact O-N 2.96Å; V70-Y117 HydrophobicContact CG1-CD2 3.6Å; V70-Y117 HydrophobicContact CG1-CE2 3.87Å; V70-L120 HydrophobicContact CB-CD1 4.2Å; V70-L120 HydrophobicContact CG1-CD1 3.87Å
71A85.7Confident84.7Confident24 Ų2430.2 Ų30.220%0.19817%0.167CC..Hα-helixtrans-59.7-45.8178.800000112V67 E68 V69 V74 S75 L120V67-A71 VanDerWaalsContact O-CB 3.29Å; V67-A71 WeakPolarHBondContact O-CB 3.27Å; V67-A71 PolarHBondContact O-N 3.27Å; E68-A71 PolarHBondContact O-N 3.12Å; V69-A71 PolarHBondContact O-N 3.4Å; A71-V74 WeakPolarHBondContact O-CG2 3.41Å; A71-S75 WeakPolarHBondContact O-CB 3.39Å; A71-S75 PolarHBondContact O-N 3.15Å; A71-S75 VanDerWaalsContact O-N 3.14Å; A71-S75 PolarHBondContact O-OG 3.34Å; A71-L120 HydrophobicContact CB-CD1 4.29Å; A71-L120 HydrophobicContact CB-CD2 3.93Å; A71-L120 HydrophobicContact CB-CG 4.47Å
72D82.8Confident85.6Confident51 Ų5130.8 Ų30.827%0.27318%0.178SC..Hα-helixtrans-63.1-50.4177.1-76-8.4000110.3E68 V69 V70 V74 S75 E76 R401E68-D72 PolarHBondContact O-N 3.04Å; V69-D72 PolarHBondContact O-N 3.42Å; V70-D72 PolarHBondContact O-N 2.93Å; D72-V74 PolarHBondContact O-N 3.06Å; D72-S75 PolarHBondContact O-N 3.19Å; D72-E76 PolarHBondContact O-N 2.94Å; D72-R401 IonicContact OD2-CZ 2.72Å; D72-R401 IonicContact OD2-NH2 3.19Å; D72-R401 PolarHBondContact OD2-NH2 3.06Å
73T85.4Confident86.3Confident4 Ų430.7 Ų30.73%0.02518%0.178CC..Hα-helixtrans-66.4-39.8-175.9-560000112.9H56 V69 V70 S75 R77 T421 D422H56-T73 WeakPolarHBondContact O-CG2 3.38Å; V69-T73 WeakPolarHBondContact O-CB 3.34Å; V69-T73 PolarHBondContact O-N 3.46Å; V69-T73 PolarHBondContact O-OG1 2.87Å; V70-T73 PolarHBondContact O-N 3.49Å; T73-S75 VanDerWaalsContact C-N 3.34Å; T73-R77 WeakPolarHBondContact O-CB 3.49Å; T73-R77 PolarHBondContact O-N 2.99Å; T73-T421 HydrophobicContact CG2-CG2 3.38Å; T73-T421 WeakPolarHBondContact O-CG2 3.42Å; T73-D422 PolarHBondContact OG1-OD1 2.8Å
74V88.3Confident87.2Confident1 Ų128 Ų281%0.00617%0.166CC..Hα-helixtrans-70.4-30.8175.9-61.30000112.5V70 A71 D72 A78 Y117 L120 A121V70-V74 HydrophobicContact CG1-CG1 4.13Å; V70-V74 WeakPolarHBondContact O-CG1 3.39Å; V70-V74 VanDerWaalsContact O-CG2 3.24Å; V70-V74 WeakPolarHBondContact O-CG2 3.41Å; V70-V74 PolarHBondContact O-N 2.96Å; A71-V74 WeakPolarHBondContact O-CG2 3.41Å; D72-V74 PolarHBondContact O-N 3.06Å; V74-A78 PolarHBondContact O-N 3.46Å; V74-Y117 HydrophobicContact CG1-CD2 3.96Å; V74-Y117 HydrophobicContact CG1-CE1 4.25Å; V74-Y117 HydrophobicContact CG1-CE2 3.44Å; V74-Y117 VanDerWaalsContact CG1-CE2 3.44Å; V74-L120 HydrophobicContact CG2-CB 3.92Å; V74-A121 HydrophobicContact CB-CB 3.93Å; V74-A121 HydrophobicContact CG1-CB 4.48Å; V74-A121 HydrophobicContact CG2-CB 4Å
75S87.6Confident88.4Confident55 Ų5526.5 Ų26.539%0.38516%0.157SC..Hα-helixtrans-69.1-47.4174.1-58.10000110.5A71 D72 T73 R77 A78 I79A71-S75 WeakPolarHBondContact O-CB 3.39Å; A71-S75 PolarHBondContact O-N 3.15Å; A71-S75 VanDerWaalsContact O-N 3.14Å; A71-S75 PolarHBondContact O-OG 3.34Å; D72-S75 PolarHBondContact O-N 3.19Å; T73-S75 VanDerWaalsContact C-N 3.34Å; S75-R77 VanDerWaalsContact C-N 3.28Å; S75-R77 PolarHBondContact O-N 3.44Å; S75-A78 WeakPolarHBondContact O-CB 3.38Å; S75-A78 PolarHBondContact O-N 2.94Å; S75-A78 VanDerWaalsContact O-N 3.11Å; S75-I79 PolarHBondContact O-N 3.44Å; S75-I79 VanDerWaalsContact O-N 3.11Å
76E91.1Very high89.3Confident8 Ų824.3 Ų24.34%0.03715%0.147CC..Hα-helixtrans-60.1-39.4176.1-77.1-57.1101.300111.8D72 A78 I79 I80 T421 R424 L425D72-E76 PolarHBondContact O-N 2.94Å; E76-A78 VanDerWaalsContact C-N 3.29Å; E76-A78 PolarHBondContact O-N 3.04Å; E76-I79 PolarHBondContact O-N 2.92Å; E76-I79 VanDerWaalsContact O-N 3.1Å; E76-I79 WeakPolarHBondContact OE1-CD1 3.32Å; E76-I80 VanDerWaalsContact O-CG1 3.27Å; E76-I80 WeakPolarHBondContact O-CG1 3.44Å; E76-I80 PolarHBondContact O-N 2.92Å; E76-T421 HydrophobicContact CB-CG2 4.42Å; E76-T421 WeakPolarHBondContact CB-O 3.32Å; E76-R424 IonicContact OE1-CZ 3.91Å; E76-R424 IonicContact OE1-NE 2.95Å; E76-R424 PolarHBondContact OE1-NE 3.5Å; E76-R424 IonicContact OE1-NH2 2.9Å; E76-R424 PolarHBondContact OE1-NH2 3.35Å; E76-R424 IonicContact OE2-CZ 2.66Å; E76-R424 IonicContact OE2-NE 3.15Å; E76-R424 PolarHBondContact OE2-NE 3.07Å; E76-R424 IonicContact OE2-NH2 3.13Å; E76-L425 HydrophobicContact CG-CB 4.21Å; E76-L425 HydrophobicContact CG-CD2 4.44Å; E76-L425 PolarHBondContact OE2-N 2.9Å
77R91Very high90.2Very high5 Ų523.9 Ų23.92%0.01915%0.145CC..Hα-helixtrans-56.7-41.4175.4177.5-17972.1166.80.4112.7V55 T73 S75 Q81 Y117 L157 D158 Y159 T421V55-R77 HydrophobicContact CB-CG 4.4Å; V55-R77 HydrophobicContact CG1-CB 3.84Å; V55-R77 HydrophobicContact CG1-CG 3.71Å; V55-R77 WeakPolarHBondContact O-CD 3.26Å; T73-R77 WeakPolarHBondContact O-CB 3.49Å; T73-R77 PolarHBondContact O-N 2.99Å; S75-R77 VanDerWaalsContact C-N 3.28Å; S75-R77 PolarHBondContact O-N 3.44Å; R77-Q81 PolarHBondContact O-N 2.83Å; R77-Q81 VanDerWaalsContact O-N 3.14Å; R77-Y117 PolarHBondContact NH1-OH 3.46Å; R77-L157 PolarHBondContact NH1-O 3.01Å; R77-D158 IonicContact CZ-OD1 3.8Å; R77-D158 IonicContact NH1-OD1 2.81Å; R77-D158 PolarHBondContact NH1-OD1 3.37Å; R77-Y159 HydrophobicContact CG-CD2 3.6Å; R77-Y159 HydrophobicContact CG-CE2 3.89Å; R77-Y159 HydrophobicContact CG-CG 4.25Å; R77-T421 HydrophobicContact CB-CG2 4.31Å
78A90.3Very high90.8Very high49 Ų4921.7 Ų21.741%0.40513%0.131SC..Hα-helixtrans-67.2-40.8175.800000111.6V74 S75 E76 Q81 G82V74-A78 PolarHBondContact O-N 3.46Å; S75-A78 WeakPolarHBondContact O-CB 3.38Å; S75-A78 PolarHBondContact O-N 2.94Å; S75-A78 VanDerWaalsContact O-N 3.11Å; E76-A78 VanDerWaalsContact C-N 3.29Å; E76-A78 PolarHBondContact O-N 3.04Å; A78-Q81 PolarHBondContact O-N 2.68Å; A78-G82 PolarHBondContact O-N 2.93Å
79I93.7Very high91.4Very high30 Ų3016.8 Ų16.815%0.15411%0.108CC..Hα-helixtrans-63.9-47.2177-66.7162.8000110.9S75 E76 Q81 G82 I83 E449S75-I79 PolarHBondContact O-N 3.44Å; S75-I79 VanDerWaalsContact O-N 3.11Å; E76-I79 PolarHBondContact O-N 2.92Å; E76-I79 VanDerWaalsContact O-N 3.1Å; E76-I79 WeakPolarHBondContact OE1-CD1 3.32Å; I79-Q81 VanDerWaalsContact C-N 3.29Å; I79-Q81 PolarHBondContact O-N 2.71Å; I79-G82 WeakPolarHBondContact O-CA 3.49Å; I79-G82 PolarHBondContact O-N 3.29Å; I79-I83 PolarHBondContact O-N 2.99Å; I79-E449 HydrophobicContact CD1-CG 4.03Å; I79-E449 HydrophobicContact CG2-CB 4.05Å; I79-E449 HydrophobicContact CG2-CG 4.16Å
80I95.3Very high92.1Very high0 Ų017.4 Ų17.40%012%0.115CC..Hα-helixtrans-60-40.8179-64.3170.9000110.4V55 E76 G82 I83 A84 P88 L166 T421 Y423V55-I80 HydrophobicContact CG1-CD1 4.49Å; E76-I80 VanDerWaalsContact O-CG1 3.27Å; E76-I80 WeakPolarHBondContact O-CG1 3.44Å; E76-I80 PolarHBondContact O-N 2.92Å; I80-G82 VanDerWaalsContact C-N 3.3Å; I80-G82 PolarHBondContact O-N 3.46Å; I80-I83 PolarHBondContact O-N 3.39Å; I80-A84 WeakPolarHBondContact O-CB 3.33Å; I80-A84 PolarHBondContact O-N 3.05Å; I80-P88 HydrophobicContact CG2-CG 4.08Å; I80-L166 HydrophobicContact CG2-CD1 4.25Å; I80-L166 HydrophobicContact CG2-CD2 4.44Å; I80-T421 WeakPolarHBondContact CD1-O 3.32Å; I80-Y423 HydrophobicContact CD1-CD1 3.82Å; I80-Y423 HydrophobicContact CD1-CE1 3.68Å; I80-Y423 HydrophobicContact CG1-CD1 4.4Å; I80-Y423 HydrophobicContact CG1-CE1 3.8Å; I80-Y423 HydrophobicContact CG2-CE1 4.24Å
81Q94.8Very high92.6Very high36 Ų3618.3 Ų18.317%0.16812%0.119CC..Hα-helixtrans-65.2-34.4173.1-172.9-87.5-26.700112.7R77 A78 I79 P85 P88 Y159 S460R77-Q81 PolarHBondContact O-N 2.83Å; R77-Q81 VanDerWaalsContact O-N 3.14Å; A78-Q81 PolarHBondContact O-N 2.68Å; I79-Q81 VanDerWaalsContact C-N 3.29Å; I79-Q81 PolarHBondContact O-N 2.71Å; Q81-P85 WeakPolarHBondContact O-CA 3.32Å; Q81-P88 HydrophobicContact CB-CG 4.14Å; Q81-Y159 HydrophobicContact CB-CD1 4.44Å; Q81-Y159 HydrophobicContact CB-CE1 4.05Å; Q81-Y159 HydrophobicContact CG-CD1 4.3Å; Q81-Y159 HydrophobicContact CG-CE1 3.79Å; Q81-S460 PolarHBondContact NE2-O 3.44Å
82G95.8Very high93.1Very high28 Ų2819 Ų1929%0.28912%0.122SC..Hα-helixtrans-62.6-44.8174.400000113.7A78 I79 I80A78-G82 PolarHBondContact O-N 2.93Å; I79-G82 WeakPolarHBondContact O-CA 3.49Å; I79-G82 PolarHBondContact O-N 3.29Å; I80-G82 VanDerWaalsContact C-N 3.3Å; I80-G82 PolarHBondContact O-N 3.46Å
83I97.3Very high93.7Very high7 Ų716.6 Ų16.64%0.03611%0.109CC..Hα-helixtrans-87.6-19.5-176.165.7178.6000113.9I79 I80 P85 E449 P452 V453I79-I83 PolarHBondContact O-N 2.99Å; I80-I83 PolarHBondContact O-N 3.39Å; I83-P85 VanDerWaalsContact C-CD 3.44Å; I83-E449 VanDerWaalsContact CG2-O 3.25Å; I83-E449 WeakPolarHBondContact CG2-O 3.38Å; I83-P452 VanDerWaalsContact O-CA 3.29Å; I83-P452 WeakPolarHBondContact O-CA 3.41Å; I83-V453 PolarHBondContact O-N 3.29Å
84A97.9Very high94.3Very high0 Ų016.5 Ų16.50%011%0.108CC..  trans-131.451.4179.700000112.5I80 H86 I87 P88 L166 V453I80-A84 WeakPolarHBondContact O-CB 3.33Å; I80-A84 PolarHBondContact O-N 3.05Å; A84-H86 PolarHBondContact O-N 2.65Å; A84-I87 HydrophobicContact CB-CB 4.4Å; A84-I87 HydrophobicContact CB-CD1 4.07Å; A84-I87 HydrophobicContact CB-CG1 4.28Å; A84-I87 PolarHBondContact O-N 2.88Å; A84-P88 VanDerWaalsContact O-CD 3.27Å; A84-P88 WeakPolarHBondContact O-CD 3.36Å; A84-L166 HydrophobicContact CB-CD1 4.02Å; A84-V453 HydrophobicContact CB-CG1 4.49Å; A84-V453 HydrophobicContact CB-CG2 3.5Å; A84-V453 VanDerWaalsContact CB-CG2 3.5Å
85P97Very high94.7Very high1 Ų116.5 Ų16.51%0.00611%0.109CC..THydrogen-bonded Turntrans-56.8-24.4-166.719.7-33.8000116Q81 I83 G456 L458 V463Q81-P85 WeakPolarHBondContact O-CA 3.32Å; I83-P85 VanDerWaalsContact C-CD 3.44Å; P85-G456 WeakPolarHBondContact CD-O 3.43Å; P85-G456 WeakPolarHBondContact CG-O 3.14Å; P85-L458 HydrophobicContact CB-CB 4.44Å; P85-L458 HydrophobicContact CG-CB 3.75Å; P85-L458 HydrophobicContact CG-CD1 4.22Å; P85-L458 HydrophobicContact CG-CG 4.29Å; P85-V463 HydrophobicContact CB-CG1 4.4Å; P85-V463 HydrophobicContact CB-CG2 3.66Å; P85-V463 WeakPolarHBondContact O-CG1 3.43Å
86H97.4Very high95.2Very high4 Ų414.1 Ų14.12%0.0199%0.092CC..THydrogen-bonded Turntrans-80.5-14.1177.763.4-76.1000113.9A84 K89 S454 G455 L458 L467A84-H86 PolarHBondContact O-N 2.65Å; H86-K89 WeakPolarHBondContact O-CE 3.36Å; H86-S454 PolarHBondContact CE1-O 3.39Å; H86-G455 PolarHBondContact CE1-O 3.34Å; H86-G455 PolarHBondContact ND1-O 2.88Å; H86-L458 HydrophobicContact CB-CD1 3.97Å; H86-L467 HydrophobicContact CB-CD2 4.33Å
87I97.4Very high95.5Very high11 Ų1113.9 Ų13.96%0.0569%0.091CC..SBendtrans-97.7-76-172.3-45.3178000112.2A84 K89 N161 N162 R165 L166 E169 V453A84-I87 HydrophobicContact CB-CB 4.4Å; A84-I87 HydrophobicContact CB-CD1 4.07Å; A84-I87 HydrophobicContact CB-CG1 4.28Å; A84-I87 PolarHBondContact O-N 2.88Å; I87-K89 PolarHBondContact O-N 2.82Å; I87-N161 WeakPolarHBondContact CG2-OD1 3.26Å; I87-N162 HydrophobicContact CG2-CB 4.17Å; I87-N162 WeakPolarHBondContact CG2-O 2.92Å; I87-R165 HydrophobicContact CD1-CB 4.48Å; I87-R165 HydrophobicContact CG2-CB 4.39Å; I87-L166 HydrophobicContact CD1-CB 4.37Å; I87-L166 HydrophobicContact CD1-CD1 4.01Å; I87-L166 HydrophobicContact CG2-CB 4.26Å; I87-E169 HydrophobicContact CD1-CB 4.05Å; I87-E169 HydrophobicContact CD1-CG 3.79Å; I87-V453 HydrophobicContact CD1-CG2 4.42Å
88P96.1Very high95.7Very high1 Ų114.1 Ų14.11%0.0069%0.092CC..SBendtrans-70.5118.5171.629.4-38.6000111.2V55 I80 Q81 A84 Y159 R160V55-P88 HydrophobicContact CG2-CB 4.22Å; I80-P88 HydrophobicContact CG2-CG 4.08Å; Q81-P88 HydrophobicContact CB-CG 4.14Å; A84-P88 VanDerWaalsContact O-CD 3.27Å; A84-P88 WeakPolarHBondContact O-CD 3.36Å; P88-Y159 HydrophobicContact CB-CD1 4.22Å; P88-R160 CarbonylContact C-O 3.37Å; P88-R160 WeakPolarHBondContact CA-O 3.42Å
89K92.7Very high95.9Very high23 Ų2317.9 Ų17.910%0.111%0.105CC..EExtended strand (participates in β ladder)trans-111.7138.5176.4-62-174.2-177.2-173.90110H86 I87 D91 Y159 R160 E489H86-K89 WeakPolarHBondContact O-CE 3.36Å; I87-K89 PolarHBondContact O-N 2.82Å; K89-D91 PolarHBondContact O-N 2.8Å; K89-Y159 CarbonylContact O-C 3.49Å; K89-Y159 VanDerWaalsContact O-CA 3.24Å; K89-Y159 WeakPolarHBondContact O-CA 3.45Å; K89-R160 HydrophobicContact CB-CG 4.05Å; K89-R160 PolarHBondContact N-O 2.76Å; K89-R160 PolarHBondContact O-N 2.81Å; K89-E489 IonicContact NZ-OE1 2.77Å; K89-E489 IonicContact NZ-OE2 2.97Å; K89-E489 PolarHBondContact NZ-OE2 2.86Å
90A93Very high95.7Very high27 Ų2718.3 Ų18.322%0.22311%0.106CC..EExtended strand (participates in β ladder)trans-58.2126.4176.700000110.1Y128 L157 Y159A90-Y128 HydrophobicContact CB-CE1 4.03Å; A90-Y128 HydrophobicContact CB-CE2 4.03Å; A90-L157 HydrophobicContact CB-CD1 3.78Å; A90-Y159 HydrophobicContact CB-CD1 4.37Å; A90-Y159 HydrophobicContact CB-CE1 4Å
91D94.3Very high95.3Very high19 Ų1923.4 Ų23.410%0.10214%0.14CC..  trans-144.887.2-177.9-152.4-14.8000109.5K89 M93 D158 R160 P263K89-D91 PolarHBondContact O-N 2.8Å; D91-M93 PolarHBondContact O-N 2.85Å; D91-D158 CarbonylContact C-O 3.59Å; D91-D158 PolarHBondContact N-O 3.33Å; D91-R160 HydrophobicContact CB-CB 4.15Å; D91-R160 HydrophobicContact CB-CG 4.1Å; D91-R160 VanDerWaalsContact CG-NH1 3.34Å; D91-R160 IonicContact OD1-NH1 2.66Å; D91-R160 WeakPolarHBondContact OD2-CD 3.47Å; D91-R160 IonicContact OD2-CZ 2.56Å; D91-R160 IonicContact OD2-NH1 2.78Å; D91-R160 PolarHBondContact OD2-NH1 3.43Å; D91-P263 HydrophobicContact CB-CG 4.09Å; D91-P263 VanDerWaalsContact CG-CD 3.48Å; D91-P263 WeakPolarHBondContact OD1-CD 3.4Å
92P95.8Very high94.7Very high40 Ų4024.2 Ų24.226%0.2616%0.158SC..PPolyproline II helixtrans-56131.9-175.6-26.935.7000112.5Y128 V155 Y156 Q262P92-Y128 HydrophobicContact CG-CD1 4.29Å; P92-V155 HydrophobicContact CB-CG1 3.84Å; P92-Y156 CarbonylContact C-O 3.58Å; P92-Y156 WeakPolarHBondContact CA-O 3.31Å; P92-Q262 PolarHBondContact O-NE2 3.26Å
93M96Very high94.2Very high0 Ų024.4 Ų24.40%015%0.154CC..EExtended strand (participates in β ladder)trans-102.1136.9-172.7-174.3176.3-59.800111.4L54 D91 V155 Y156 D158 P263 Y265 F277L54-M93 HydrophobicContact CD1-CE 3.86Å; D91-M93 PolarHBondContact O-N 2.85Å; M93-V155 VanDerWaalsContact O-CA 3.29Å; M93-V155 WeakPolarHBondContact O-CA 3.29Å; M93-Y156 HydrophobicContact CB-CE1 4.19Å; M93-Y156 HydrophobicContact CG-CE1 4.31Å; M93-Y156 PolarHBondContact N-O 2.68Å; M93-Y156 PolarHBondContact O-N 3.38Å; M93-Y156 VanDerWaalsContact O-N 3.17Å; M93-Y156 HydrophobicContact SD-CE1 4.29Å; M93-Y156 PolarHBondContact SD-OH 2.78Å; M93-D158 HydrophobicContact CE-CB 4.07Å; M93-P263 CarbonylContact C-O 3.56Å; M93-P263 VanDerWaalsContact CA-O 3.22Å; M93-P263 WeakPolarHBondContact CA-O 3.41Å; M93-P263 HydrophobicContact CB-CB 4.28Å; M93-P263 HydrophobicContact CE-CB 4.06Å; M93-P263 HydrophobicContact CG-CB 4.06Å; M93-P263 WeakPolarHBondContact CG-O 3.37Å; M93-Y265 WeakPolarHBondContact SD-CB 3.48Å; M93-Y265 HydrophobicContact SD-CD1 4.31Å; M93-Y265 HydrophobicContact SD-CG 4.11Å; M93-F277 HydrophobicContact CE-CD1 3.93Å; M93-F277 HydrophobicContact CE-CE1 3.66Å; M93-F277 HydrophobicContact SD-CD1 4.01Å; M93-F277 HydrophobicContact SD-CE1 3.68Å
94I97.4Very high93.6Very high1 Ų124.6 Ų24.61%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-86.9132.2169-55.7179.1000109.1R141 V155 Q262 P263 T264 Y265I94-R141 HydrophobicContact CD1-CB 4.36Å; I94-V155 HydrophobicContact CG1-CG2 4.08Å; I94-Q262 HydrophobicContact CD1-CG 3.72Å; I94-Q262 HydrophobicContact CG1-CG 3.74Å; I94-P263 PolarHBondContact N-O 2.84Å; I94-T264 WeakPolarHBondContact O-CA 3.44Å; I94-Y265 PolarHBondContact O-N 3.32Å
95L97.4Very high93.3Very high2 Ų224.8 Ų24.81%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-11790.9170.1-163.3167.2000108.5L59 I97 F105 V110 G153 G154 Y156 Y265 M275L59-L95 HydrophobicContact CD2-CD1 3.7Å; L95-I97 HydrophobicContact CD2-CD1 3.3Å; L95-I97 HydrophobicContact CD2-CG1 4.24Å; L95-F105 HydrophobicContact CD1-CD2 4.34Å; L95-V110 HydrophobicContact CD1-CG2 4.31Å; L95-V110 HydrophobicContact CD2-CG2 4.24Å; L95-G153 WeakPolarHBondContact O-CA 3.48Å; L95-G154 PolarHBondContact N-O 3.2Å; L95-G154 PolarHBondContact O-N 2.93Å; L95-Y156 HydrophobicContact CB-CE1 4.06Å; L95-Y156 HydrophobicContact CD1-CE1 4.06Å; L95-Y265 WeakPolarHBondContact CA-O 3.39Å; L95-Y265 HydrophobicContact CD1-CD1 4.45Å; L95-Y265 WeakPolarHBondContact CG-O 3.3Å; L95-M275 HydrophobicContact CD1-CE 4.46Å; L95-M275 HydrophobicContact CG-CE 4.45Å
96P97.7Very high93.1Very high5 Ų529 Ų293%0.03218%0.18CC..EExtended strand (participates in β ladder)trans-73.6137.5177.431.7-33.6000110.4F98 I138 L145 L150 T264 Y265 F266P96-F98 HydrophobicContact CB-CD2 4.42Å; P96-F98 HydrophobicContact CB-CE2 3.81Å; P96-F98 HydrophobicContact CG-CE2 4.04Å; P96-I138 HydrophobicContact CB-CD1 4.29Å; P96-L145 HydrophobicContact CB-CD2 3.98Å; P96-L145 HydrophobicContact CG-CD2 4.26Å; P96-L150 HydrophobicContact CB-CD1 3.82Å; P96-T264 HydrophobicContact CG-CG2 4.19Å; P96-Y265 WeakPolarHBondContact CD-O 3.25Å; P96-F266 HydrophobicContact CG-CB 4.13Å
97I96.9Very high92.9Very high3 Ų332 Ų322%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-106.2123.9-180-58.4-61.6000109L95 F105 L107 V110 L151 G152L95-I97 HydrophobicContact CD2-CD1 3.3Å; L95-I97 HydrophobicContact CD2-CG1 4.24Å; I97-F105 HydrophobicContact CD1-CB 3.89Å; I97-L107 HydrophobicContact CB-CD2 4.08Å; I97-L107 HydrophobicContact CG1-CD2 4.21Å; I97-L107 HydrophobicContact CG2-CD2 4.47Å; I97-V110 HydrophobicContact CD1-CB 4.23Å; I97-V110 HydrophobicContact CD1-CG1 4.38Å; I97-V110 HydrophobicContact CD1-CG2 4.39Å; I97-V110 HydrophobicContact CG1-CG1 4.12Å; I97-L151 HydrophobicContact CG2-CD1 4.21Å; I97-L151 WeakPolarHBondContact O-CB 3.38Å; I97-L151 PolarHBondContact O-N 3.24Å; I97-G152 PolarHBondContact N-O 2.96Å
98F96Very high92.7Very high9 Ų935.3 Ų35.34%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-110.1147.8177.2-72.8-101.5000110.7P96 E100 S103 L145 A146 E148 G149 L150 R318P96-F98 HydrophobicContact CB-CD2 4.42Å; P96-F98 HydrophobicContact CB-CE2 3.81Å; P96-F98 HydrophobicContact CG-CE2 4.04Å; F98-E100 VanDerWaalsContact C-N 3.3Å; F98-E100 HydrophobicContact CB-CG 4.01Å; F98-E100 PolarHBondContact O-N 3Å; F98-E100 VanDerWaalsContact O-N 3.08Å; F98-S103 PolarHBondContact O-OG 3.08Å; F98-S103 VanDerWaalsContact O-OG 3.07Å; F98-L145 HydrophobicContact CZ-CD2 4.28Å; F98-L145 HydrophobicContact CZ-CG 4.22Å; F98-A146 HydrophobicContact CE1-CB 3.98Å; F98-A146 VanDerWaalsContact CE1-O 3.25Å; F98-A146 WeakPolarHBondContact CE1-O 3.3Å; F98-A146 HydrophobicContact CZ-CB 4.27Å; F98-A146 WeakPolarHBondContact CZ-O 3.33Å; F98-E148 WeakPolarHBondContact CD1-O 3.46Å; F98-E148 WeakPolarHBondContact CE1-O 3.14Å; F98-G149 CarbonylContact C-O 3.26Å; F98-G149 WeakPolarHBondContact CA-O 3.34Å; F98-L150 HydrophobicContact CD1-CB 4.09Å; F98-L150 HydrophobicContact CD2-CD1 4.21Å; F98-L150 HydrophobicContact CE1-CB 3.72Å; F98-L150 HydrophobicContact CE1-CD1 4.23Å; F98-L150 HydrophobicContact CE2-CD1 3.8Å; F98-L150 HydrophobicContact CZ-CB 4.1Å; F98-L150 HydrophobicContact CZ-CD1 3.8Å; F98-L150 HydrophobicContact CZ-CG 4.43Å; F98-R318 VanDerWaalsContact CE1-NH1 3.29Å; F98-R318 VanDerWaalsContact CE2-CD 3.42Å; F98-R318 VanDerWaalsContact CE2-NH1 3.27Å; F98-R318 VanDerWaalsContact CZ-CD 3.42Å
99D93.9Very high92.6Very high129 Ų12935.5 Ų35.569%0.6921%0.211SC*.  trans-77.782168.1-171.917.9000109.2G149 L151D99-G149 PolarHBondContact N-O 3.23Å; D99-L151 HydrophobicContact CB-CD1 3.99Å; D99-L151 HydrophobicContact CB-CD2 4.1Å; D99-L151 HydrophobicContact CB-CG 4.07Å
100E89.8Confident92.7Very high38 Ų3834.4 Ų34.418%0.17821%0.206CC..  trans-135.5149179.858.9-171.6-148.600112F98 G102 S103 R318F98-E100 VanDerWaalsContact C-N 3.3Å; F98-E100 HydrophobicContact CB-CG 4.01Å; F98-E100 PolarHBondContact O-N 3Å; F98-E100 VanDerWaalsContact O-N 3.08Å; E100-G102 PolarHBondContact O-N 2.88Å; E100-S103 VanDerWaalsContact CG-OG 3.24Å; E100-S103 WeakPolarHBondContact CG-OG 3.38Å; E100-S103 PolarHBondContact O-N 2.85Å; E100-S103 PolarHBondContact O-OG 2.91Å; E100-R318 IonicContact OE1-NH2 3.89Å; E100-R318 PolarHBondContact OE1-NH2 3.46Å; E100-R318 IonicContact OE2-CZ 2.99Å; E100-R318 IonicContact OE2-NH1 3.7Å; E100-R318 PolarHBondContact OE2-NH1 2.97Å; E100-R318 IonicContact OE2-NH2 3.41Å; E100-R318 PolarHBondContact OE2-NH2 3.38Å
101P86Confident92.8Very high107 Ų10736.1 Ų36.170%0.69521%0.208SC*.THydrogen-bonded Turntrans-59.5128.8175.7-23.233.9000111.2N271P101-N271 PolarHBondContact O-OD1 3.03Å
102G82Confident92.8Very high53 Ų5337.3 Ų37.355%0.54622%0.216SC..THydrogen-bonded Turntrans87.27.4175.800000115.8E100 T104 N271E100-G102 PolarHBondContact O-N 2.88Å; G102-T104 PolarHBondContact O-N 2.79Å; G102-N271 WeakPolarHBondContact CA-OD1 3.27Å
103S85.8Confident92.7Very high32 Ų3235.7 Ų35.722%0.22421%0.207CC..  trans-50.1133.9176-570000112.4F98 E100 F105 D267F98-S103 PolarHBondContact O-OG 3.08Å; F98-S103 VanDerWaalsContact O-OG 3.07Å; E100-S103 VanDerWaalsContact CG-OG 3.24Å; E100-S103 WeakPolarHBondContact CG-OG 3.38Å; E100-S103 PolarHBondContact O-N 2.85Å; E100-S103 PolarHBondContact O-OG 2.91Å; S103-F105 PolarHBondContact O-N 2.94Å; S103-D267 WeakPolarHBondContact CA-OD2 3.38Å
104T85Confident92.6Very high12 Ų1235.7 Ų35.77%0.07421%0.207CC..SBendtrans-64.2-43.3-178-66.40000110.7R60 K63 G102 D267 M275R60-T104 HydrophobicContact CG-CG2 4.35Å; K63-T104 HydrophobicContact CB-CG2 4.35Å; K63-T104 VanDerWaalsContact CD-O 3.31Å; K63-T104 WeakPolarHBondContact CD-O 3.07Å; K63-T104 WeakPolarHBondContact CE-O 3.32Å; K63-T104 HydrophobicContact CG-CG2 4.27Å; K63-T104 PolarHBondContact NZ-O 2.92Å; G102-T104 PolarHBondContact O-N 2.79Å; T104-D267 WeakPolarHBondContact CB-OD1 3.43Å; T104-D267 PolarHBondContact N-OD2 3.32Å; T104-D267 PolarHBondContact OG1-OD1 3.25Å; T104-M275 HydrophobicContact CG2-SD 4.33Å
105F90.9Very high92.5Very high4 Ų439 Ų392%0.01822%0.224CC..  trans-128.3154.7177.9-60.4-73.8000111.6K63 L95 I97 S103 V110 A113K63-F105 HydrophobicContact CB-CE1 4.27Å; K63-F105 HydrophobicContact CB-CZ 4.27Å; K63-F105 HydrophobicContact CD-CE1 4.41Å; L95-F105 HydrophobicContact CD1-CD2 4.34Å; I97-F105 HydrophobicContact CD1-CB 3.89Å; S103-F105 PolarHBondContact O-N 2.94Å; F105-V110 HydrophobicContact CB-CB 3.89Å; F105-V110 HydrophobicContact CB-CG2 4.47Å; F105-V110 HydrophobicContact CG-CB 4.31Å; F105-A113 HydrophobicContact CD1-CB 4.45Å; F105-A113 HydrophobicContact CE1-CB 3.87Å; F105-A113 HydrophobicContact CZ-CB 4.28Å
106N92.9Very high92.2Very high90 Ų9041.5 Ų41.548%0.48124%0.237SC..  trans-106.2171.2158.665.844.3000110.2F108 S109 V110N106-F108 PolarHBondContact O-N 3.49Å; N106-F108 VanDerWaalsContact O-N 3.15Å; N106-F108 PolarHBondContact OD1-N 2.87Å; N106-F108 VanDerWaalsContact OD1-N 3.08Å; N106-S109 PolarHBondContact N-OG 2.86Å; N106-S109 PolarHBondContact O-N 3.04Å; N106-S109 VanDerWaalsContact O-N 3.15Å; N106-S109 PolarHBondContact O-OG 3.28Å; N106-S109 PolarHBondContact OD1-N 2.91Å; N106-S109 PolarHBondContact OD1-OG 2.91Å; N106-S109 VanDerWaalsContact OD1-OG 3.1Å; N106-V110 WeakPolarHBondContact O-CG1 3.38Å; N106-V110 PolarHBondContact O-N 3.36Å
107L94.9Very high91.9Very high65 Ų6541.2 Ų41.234%0.3424%0.236SC..Hα-helixtrans-53.9-35.8-177.1-68.8178.8000114.4I97 V110 M132 L151I97-L107 HydrophobicContact CB-CD2 4.08Å; I97-L107 HydrophobicContact CG1-CD2 4.21Å; I97-L107 HydrophobicContact CG2-CD2 4.47Å; L107-V110 WeakPolarHBondContact O-CG1 3.41Å; L107-M132 HydrophobicContact CB-CE 4.4Å; L107-M132 HydrophobicContact CD2-CE 3.91Å; L107-M132 WeakPolarHBondContact O-CE 3.28Å; L107-L151 HydrophobicContact CD1-CB 4.03Å; L107-L151 HydrophobicContact CD2-CB 4.42Å; L107-L151 HydrophobicContact CG-CB 4.18Å
108F93.3Very high91.7Very high81 Ų8141.2 Ų41.236%0.35524%0.235SC..Hα-helixtrans-72.6-52.7177.5179.5-87.5000110.9N106 V110 K111 V112 I364 E368N106-F108 PolarHBondContact O-N 3.49Å; N106-F108 VanDerWaalsContact O-N 3.15Å; N106-F108 PolarHBondContact OD1-N 2.87Å; N106-F108 VanDerWaalsContact OD1-N 3.08Å; F108-V110 VanDerWaalsContact C-N 3.35Å; F108-V110 PolarHBondContact O-N 2.98Å; F108-K111 PolarHBondContact O-N 2.75Å; F108-V112 HydrophobicContact CD1-CG2 4.23Å; F108-V112 HydrophobicContact CE1-CG2 3.44Å; F108-V112 VanDerWaalsContact CE1-CG2 3.44Å; F108-V112 HydrophobicContact CE2-CG2 4.4Å; F108-V112 HydrophobicContact CZ-CG2 3.54Å; F108-V112 PolarHBondContact O-N 3.11Å; F108-V112 VanDerWaalsContact O-N 3.16Å; F108-I364 HydrophobicContact CD1-CG2 3.76Å; F108-I364 HydrophobicContact CE1-CB 4.49Å; F108-I364 HydrophobicContact CE1-CD1 4.14Å; F108-I364 HydrophobicContact CE1-CG2 3.39Å; F108-I364 HydrophobicContact CZ-CG2 4.41Å; F108-E368 WeakPolarHBondContact CD2-OE1 3.46Å; F108-E368 HydrophobicContact CE1-CG 3.75Å; F108-E368 WeakPolarHBondContact CE1-OE1 3.5Å; F108-E368 HydrophobicContact CE2-CG 3.53Å; F108-E368 WeakPolarHBondContact CE2-OE1 3.49Å; F108-E368 HydrophobicContact CZ-CB 4.45Å; F108-E368 HydrophobicContact CZ-CG 3.07Å; F108-E368 WeakPolarHBondContact CZ-OE1 3.33Å
109S93.1Very high91.6Very high5 Ų547 Ų474%0.03526%0.262CS..Hα-helixtrans-66.1-32.7-176.861.60000113.5N106 K111 V112 A113N106-S109 PolarHBondContact N-OG 2.86Å; N106-S109 PolarHBondContact O-N 3.04Å; N106-S109 VanDerWaalsContact O-N 3.15Å; N106-S109 PolarHBondContact O-OG 3.28Å; N106-S109 PolarHBondContact OD1-N 2.91Å; N106-S109 PolarHBondContact OD1-OG 2.91Å; N106-S109 VanDerWaalsContact OD1-OG 3.1Å; S109-K111 VanDerWaalsContact C-N 3.34Å; S109-V112 PolarHBondContact O-N 3.12Å; S109-A113 VanDerWaalsContact O-CB 3.29Å; S109-A113 WeakPolarHBondContact O-CB 3.33Å; S109-A113 PolarHBondContact O-N 3.03Å
110V94.1Very high91.4Very high0 Ų043 Ų430%024%0.24CC..Hα-helixtrans-66.6-39175.670.70000110.4L95 I97 F105 N106 L107 F108 A113 M114 M132L95-V110 HydrophobicContact CD1-CG2 4.31Å; L95-V110 HydrophobicContact CD2-CG2 4.24Å; I97-V110 HydrophobicContact CD1-CB 4.23Å; I97-V110 HydrophobicContact CD1-CG1 4.38Å; I97-V110 HydrophobicContact CD1-CG2 4.39Å; I97-V110 HydrophobicContact CG1-CG1 4.12Å; F105-V110 HydrophobicContact CB-CB 3.89Å; F105-V110 HydrophobicContact CB-CG2 4.47Å; F105-V110 HydrophobicContact CG-CB 4.31Å; N106-V110 WeakPolarHBondContact O-CG1 3.38Å; N106-V110 PolarHBondContact O-N 3.36Å; L107-V110 WeakPolarHBondContact O-CG1 3.41Å; F108-V110 VanDerWaalsContact C-N 3.35Å; F108-V110 PolarHBondContact O-N 2.98Å; V110-A113 PolarHBondContact O-N 3.13Å; V110-M114 HydrophobicContact CG2-CE 4.36Å; V110-M114 HydrophobicContact CG2-CG 4.33Å; V110-M114 HydrophobicContact CG2-SD 4.3Å; V110-M114 WeakPolarHBondContact O-CB 3.33Å; V110-M114 VanDerWaalsContact O-CG 3.25Å; V110-M114 WeakPolarHBondContact O-CG 3.35Å; V110-M114 PolarHBondContact O-N 2.83Å; V110-M132 HydrophobicContact CG1-CE 3.69Å; V110-M132 HydrophobicContact CG1-SD 4.06Å
111K96.1Very high91.3Very high63 Ų6342.1 Ų42.127%0.27424%0.24SC..Hα-helixtrans-62.5-48.9176-179.848.7175.5155.30111.3F108 S109 A113 M114 D115 N130 M132F108-K111 PolarHBondContact O-N 2.75Å; S109-K111 VanDerWaalsContact C-N 3.34Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 2.78Å; K111-M114 HydrophobicContact CD-CE 4.41Å; K111-M114 PolarHBondContact O-N 2.93Å; K111-D115 WeakPolarHBondContact CE-OD2 3.31Å; K111-D115 VanDerWaalsContact NZ-CG 3.26Å; K111-D115 IonicContact NZ-OD1 2.72Å; K111-D115 PolarHBondContact NZ-OD1 3.13Å; K111-D115 IonicContact NZ-OD2 2.61Å; K111-D115 PolarHBondContact NZ-OD2 3.19Å; K111-D115 VanDerWaalsContact NZ-OD2 3.15Å; K111-D115 PolarHBondContact O-N 3.5Å; K111-N130 PolarHBondContact NZ-OD1 3.21Å; K111-M132 HydrophobicContact CB-CG 4.31Å; K111-M132 HydrophobicContact CB-SD 3.8Å; K111-M132 HydrophobicContact CD-CG 3.97Å; K111-M132 HydrophobicContact CD-SD 4.14Å; K111-M132 HydrophobicContact CG-CG 4.33Å; K111-M132 HydrophobicContact CG-SD 4.38Å
112V93.9Very high91.5Very high44 Ų4440.3 Ų40.327%0.26724%0.241SC..Hα-helixtrans-59.8-43.5176.7175.50000111.5F108 S109 D115 L116 I364F108-V112 HydrophobicContact CD1-CG2 4.23Å; F108-V112 HydrophobicContact CE1-CG2 3.44Å; F108-V112 VanDerWaalsContact CE1-CG2 3.44Å; F108-V112 HydrophobicContact CE2-CG2 4.4Å; F108-V112 HydrophobicContact CZ-CG2 3.54Å; F108-V112 PolarHBondContact O-N 3.11Å; F108-V112 VanDerWaalsContact O-N 3.16Å; S109-V112 PolarHBondContact O-N 3.12Å; V112-D115 PolarHBondContact O-N 3.12Å; V112-L116 WeakPolarHBondContact O-CB 3.37Å; V112-L116 PolarHBondContact O-N 2.99Å; V112-I364 HydrophobicContact CB-CD1 4.33Å; V112-I364 HydrophobicContact CG1-CD1 4.13Å; V112-I364 HydrophobicContact CG2-CD1 4.48Å
113A92.7Very high91.8Very high7 Ų739.5 Ų39.56%0.05822%0.224CC..Hα-helixtrans-62-46.117800000111.6L59 L62 F105 S109 V110 K111 L116 Y117L59-A113 HydrophobicContact CD1-CB 4.24Å; L62-A113 HydrophobicContact CB-CB 4.38Å; L62-A113 HydrophobicContact CD1-CB 4.16Å; L62-A113 WeakPolarHBondContact CD1-O 3.32Å; F105-A113 HydrophobicContact CD1-CB 4.45Å; F105-A113 HydrophobicContact CE1-CB 3.87Å; F105-A113 HydrophobicContact CZ-CB 4.28Å; S109-A113 VanDerWaalsContact O-CB 3.29Å; S109-A113 WeakPolarHBondContact O-CB 3.33Å; S109-A113 PolarHBondContact O-N 3.03Å; V110-A113 PolarHBondContact O-N 3.13Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 2.78Å; A113-L116 PolarHBondContact O-N 3.34Å; A113-Y117 VanDerWaalsContact O-CB 3.27Å; A113-Y117 WeakPolarHBondContact O-CB 3.24Å; A113-Y117 PolarHBondContact O-N 2.92Å
114M95.2Very high91.8Very high0 Ų042.3 Ų42.30%024%0.24CC..Hα-helixtrans-66.3-37.9178.5-68.1-174.1-55.200112.7L59 V110 K111 Y117 D118 N130 M132 Y156L59-M114 HydrophobicContact CD1-CG 4.31Å; L59-M114 HydrophobicContact CD2-CG 4.25Å; V110-M114 HydrophobicContact CG2-CE 4.36Å; V110-M114 HydrophobicContact CG2-CG 4.33Å; V110-M114 HydrophobicContact CG2-SD 4.3Å; V110-M114 WeakPolarHBondContact O-CB 3.33Å; V110-M114 VanDerWaalsContact O-CG 3.25Å; V110-M114 WeakPolarHBondContact O-CG 3.35Å; V110-M114 PolarHBondContact O-N 2.83Å; K111-M114 HydrophobicContact CD-CE 4.41Å; K111-M114 PolarHBondContact O-N 2.93Å; M114-Y117 WeakPolarHBondContact O-CB 3.31Å; M114-Y117 PolarHBondContact O-N 3.45Å; M114-D118 PolarHBondContact O-N 2.71Å; M114-N130 HydrophobicContact CB-CB 3.71Å; M114-N130 VanDerWaalsContact CB-CG 3.45Å; M114-N130 HydrophobicContact CE-CB 4.41Å; M114-N130 HydrophobicContact CG-CB 4.39Å; M114-N130 PolarHBondContact O-ND2 3.46Å; M114-N130 HydrophobicContact SD-CB 4.12Å; M114-M132 HydrophobicContact CE-SD 3.42Å; M114-M132 WeakPolarHBondContact CE-SD 3.45Å; M114-Y156 HydrophobicContact CG-CD1 4.45Å; M114-Y156 HydrophobicContact CG-CG 4.42Å; M114-Y156 HydrophobicContact SD-CD1 4.14Å; M114-Y156 HydrophobicContact SD-CG 4.41Å
115D94.3Very high91.9Very high69 Ų6945.2 Ų45.237%0.36927%0.272SS..Hα-helixtrans-64.6-41.8175.8-77.1-26.2000112.2K111 V112 Y117 H119 N130K111-D115 WeakPolarHBondContact CE-OD2 3.31Å; K111-D115 VanDerWaalsContact NZ-CG 3.26Å; K111-D115 IonicContact NZ-OD1 2.72Å; K111-D115 PolarHBondContact NZ-OD1 3.13Å; K111-D115 IonicContact NZ-OD2 2.61Å; K111-D115 PolarHBondContact NZ-OD2 3.19Å; K111-D115 VanDerWaalsContact NZ-OD2 3.15Å; K111-D115 PolarHBondContact O-N 3.5Å; V112-D115 PolarHBondContact O-N 3.12Å; D115-Y117 VanDerWaalsContact C-N 3.34Å; D115-H119 WeakPolarHBondContact O-CB 3.32Å; D115-H119 PolarHBondContact O-N 3.48Å; D115-N130 PolarHBondContact OD1-ND2 3.15Å
116L92.4Very high91.7Very high55 Ų5546.9 Ų46.929%0.28829%0.291SS..Hα-helixtrans-63.8-43172.9179.257.4000110.8L62 V67 V112 A113 D118 H119 L120L62-L116 HydrophobicContact CD1-CB 4.34Å; L62-L116 HydrophobicContact CD1-CD2 4.33Å; L62-L116 HydrophobicContact CD1-CG 4.36Å; L62-L116 HydrophobicContact CD2-CD2 3.88Å; L62-L116 HydrophobicContact CD2-CG 4.37Å; V67-L116 HydrophobicContact CG1-CD2 4.02Å; V112-L116 WeakPolarHBondContact O-CB 3.37Å; V112-L116 PolarHBondContact O-N 2.99Å; A113-L116 PolarHBondContact O-N 3.34Å; L116-D118 PolarHBondContact O-N 2.98Å; L116-H119 WeakPolarHBondContact O-CB 3.25Å; L116-H119 PolarHBondContact O-N 3.01Å; L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CD1-CG 4.13Å; L116-L120 HydrophobicContact CG-CD1 4.15Å; L116-L120 HydrophobicContact CG-CG 4.45Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 2.95Å
117Y91.6Very high91.6Very high0 Ų050.9 Ų50.90%030%0.304CS..Hα-helixtrans-60.2-45.9178.4-167.4-103.8000112.6G57 L59 L62 V70 V74 R77 A113 M114 D115 H119 L120 A121 Y156 L157 D158G57-Y117 WeakPolarHBondContact CA-OH 3.2Å; G57-Y117 PolarHBondContact N-OH 3.19Å; L59-Y117 HydrophobicContact CB-CD2 4.26Å; L59-Y117 HydrophobicContact CB-CE2 4.13Å; L59-Y117 HydrophobicContact CD1-CD1 4.32Å; L59-Y117 HydrophobicContact CD1-CD2 3.8Å; L59-Y117 HydrophobicContact CD1-CE2 4.46Å; L59-Y117 HydrophobicContact CD1-CG 3.69Å; L62-Y117 HydrophobicContact CD1-CD2 4.36Å; V70-Y117 HydrophobicContact CG1-CD2 3.6Å; V70-Y117 HydrophobicContact CG1-CE2 3.87Å; V74-Y117 HydrophobicContact CG1-CD2 3.96Å; V74-Y117 HydrophobicContact CG1-CE1 4.25Å; V74-Y117 HydrophobicContact CG1-CE2 3.44Å; V74-Y117 VanDerWaalsContact CG1-CE2 3.44Å; R77-Y117 PolarHBondContact NH1-OH 3.46Å; A113-Y117 VanDerWaalsContact O-CB 3.27Å; A113-Y117 WeakPolarHBondContact O-CB 3.24Å; A113-Y117 PolarHBondContact O-N 2.92Å; M114-Y117 WeakPolarHBondContact O-CB 3.31Å; M114-Y117 PolarHBondContact O-N 3.45Å; D115-Y117 VanDerWaalsContact C-N 3.34Å; Y117-H119 VanDerWaalsContact C-N 3.32Å; Y117-H119 PolarHBondContact O-N 3.34Å; Y117-L120 PolarHBondContact O-N 2.98Å; Y117-A121 VanDerWaalsContact O-CB 3.3Å; Y117-A121 WeakPolarHBondContact O-CB 3.33Å; Y117-A121 PolarHBondContact O-N 3.46Å; Y117-Y156 HydrophobicContact CD1-CD2 4.19Å; Y117-Y156 AromaticContact CE1-CD2 3.8Å; Y117-Y156 HydrophobicContact CE1-CD2 3.8Å; Y117-Y156 HydrophobicContact CE1-CE2 4.26Å; Y117-L157 WeakPolarHBondContact CE1-O 3.46Å; Y117-D158 PolarHBondContact OH-OD1 2.94Å
118D93Very high91.5Very high2 Ų251.4 Ų51.41%0.01130%0.302CS..Hα-helixtrans-64.4-37.9176-79.55.6000112.4M114 L116 A121 G122 I123 A129 N130M114-D118 PolarHBondContact O-N 2.71Å; L116-D118 PolarHBondContact O-N 2.98Å; D118-A121 CarbonylContact O-C 3.51Å; D118-A121 PolarHBondContact O-N 3.21Å; D118-G122 PolarHBondContact O-N 3.46Å; D118-I123 HydrophobicContact CB-CG1 3.89Å; D118-I123 PolarHBondContact O-N 3.34Å; D118-A129 WeakPolarHBondContact OD2-CA 3.19Å; D118-N130 WeakPolarHBondContact OD2-CB 3.2Å; D118-N130 PolarHBondContact OD2-N 3.18Å; D118-N130 PolarHBondContact OD2-ND2 2.97Å
119H92.7Very high91.5Very high130 Ų13048.9 Ų48.960%0.60230%0.296SS*.Hα-helixtrans-64.1-47.8176.8-176.766.5000111.3D115 L116 Y117 A121 G122 T124D115-H119 WeakPolarHBondContact O-CB 3.32Å; D115-H119 PolarHBondContact O-N 3.48Å; L116-H119 WeakPolarHBondContact O-CB 3.25Å; L116-H119 PolarHBondContact O-N 3.01Å; Y117-H119 VanDerWaalsContact C-N 3.32Å; Y117-H119 PolarHBondContact O-N 3.34Å; H119-A121 VanDerWaalsContact C-N 3.27Å; H119-A121 PolarHBondContact O-N 2.92Å; H119-G122 PolarHBondContact O-N 3.14Å; H119-G122 VanDerWaalsContact O-N 3.15Å; H119-T124 VanDerWaalsContact CA-OG1 3.3Å; H119-T124 WeakPolarHBondContact CA-OG1 3.37Å; H119-T124 PolarHBondContact N-OG1 2.84Å
120L90.1Very high91.7Very high45 Ų4549.3 Ų49.324%0.23630%0.298CS..Hα-helixtrans-62.8-35176.3-66.6177.6000111.8V70 A71 V74 L116 Y117 G122V70-L120 HydrophobicContact CB-CD1 4.2Å; V70-L120 HydrophobicContact CG1-CD1 3.87Å; A71-L120 HydrophobicContact CB-CD1 4.29Å; A71-L120 HydrophobicContact CB-CD2 3.93Å; A71-L120 HydrophobicContact CB-CG 4.47Å; V74-L120 HydrophobicContact CG2-CB 3.92Å; L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CD1-CG 4.13Å; L116-L120 HydrophobicContact CG-CD1 4.15Å; L116-L120 HydrophobicContact CG-CG 4.45Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 2.95Å; Y117-L120 PolarHBondContact O-N 2.98Å; L120-G122 VanDerWaalsContact C-N 3.31Å; L120-G122 PolarHBondContact O-N 3.21Å
121A88Confident91.9Very high20 Ų2053.7 Ų53.717%0.16532%0.315CS..THydrogen-bonded Turntrans-80.3-6.117700000114.4V74 Y117 D118 H119 I123V74-A121 HydrophobicContact CB-CB 3.93Å; V74-A121 HydrophobicContact CG1-CB 4.48Å; V74-A121 HydrophobicContact CG2-CB 4Å; Y117-A121 VanDerWaalsContact O-CB 3.3Å; Y117-A121 WeakPolarHBondContact O-CB 3.33Å; Y117-A121 PolarHBondContact O-N 3.46Å; D118-A121 CarbonylContact O-C 3.51Å; D118-A121 PolarHBondContact O-N 3.21Å; H119-A121 VanDerWaalsContact C-N 3.27Å; H119-A121 PolarHBondContact O-N 2.92Å; A121-I123 VanDerWaalsContact C-N 3.29Å; A121-I123 HydrophobicContact CB-CD1 4.27Å; A121-I123 HydrophobicContact CB-CG1 4.07Å; A121-I123 HydrophobicContact CB-CG2 4.48Å; A121-I123 PolarHBondContact O-N 3.35Å
122G89.4Confident92Very high70 Ų7053.6 Ų53.672%0.72232%0.316SS*.THydrogen-bonded Turntrans68.223-178.100000114.8D118 H119 L120D118-G122 PolarHBondContact O-N 3.46Å; H119-G122 PolarHBondContact O-N 3.14Å; H119-G122 VanDerWaalsContact O-N 3.15Å; L120-G122 VanDerWaalsContact C-N 3.31Å; L120-G122 PolarHBondContact O-N 3.21Å
123I88.8Confident92.2Very high35 Ų3552 Ų5218%0.17931%0.306CS..  trans-110.34.9-176.265.5176.4000113.9D118 A121 G125 G126 L157D118-I123 HydrophobicContact CB-CG1 3.89Å; D118-I123 PolarHBondContact O-N 3.34Å; A121-I123 VanDerWaalsContact C-N 3.29Å; A121-I123 HydrophobicContact CB-CD1 4.27Å; A121-I123 HydrophobicContact CB-CG1 4.07Å; A121-I123 HydrophobicContact CB-CG2 4.48Å; A121-I123 PolarHBondContact O-N 3.35Å; I123-G125 PolarHBondContact O-N 2.88Å; I123-G126 PolarHBondContact O-N 2.87Å; I123-L157 HydrophobicContact CD1-CB 3.86Å; I123-L157 HydrophobicContact CD1-CD2 3.75Å; I123-L157 HydrophobicContact CD1-CG 4.45Å
124T86.3Confident92.4Very high91 Ų9153.8 Ų53.856%0.55832%0.318SS*.THydrogen-bonded Turntrans-52.6122.2178.8-51.20000111.5H119 G126H119-T124 VanDerWaalsContact CA-OG1 3.3Å; H119-T124 WeakPolarHBondContact CA-OG1 3.37Å; H119-T124 PolarHBondContact N-OG1 2.84Å; T124-G126 PolarHBondContact O-N 3.32Å
125G85.4Confident92.6Very high73 Ų7356.9 Ų56.975%0.75333%0.332SS*.THydrogen-bonded Turntrans76.42.6-179.700000115.4I123I123-G125 PolarHBondContact O-N 2.88Å
126G88.4Confident92.8Very high40 Ų4059.6 Ų59.641%0.41234%0.342SS..SBendtrans-80.3-179.6173.400000113.5I123 T124 Y128 A129I123-G126 PolarHBondContact O-N 2.87Å; T124-G126 PolarHBondContact O-N 3.32Å; G126-Y128 PolarHBondContact O-N 2.88Å; G126-Y128 VanDerWaalsContact O-N 3.1Å; G126-A129 WeakPolarHBondContact O-CB 3.1Å; G126-A129 PolarHBondContact O-N 3.3Å
127K90.5Very high93Very high174 Ų17461.2 Ų61.276%0.75735%0.348SS*.THydrogen-bonded Turntrans-61-19.9179.971.4178.2-178.11750114.6
128Y92.2Very high93.3Very high76 Ų7661.2 Ų61.230%0.29835%0.348SS..THydrogen-bonded Turntrans-110.314.7179.2-62.7-58.9000113.3A90 P92 G126 L157A90-Y128 HydrophobicContact CB-CE1 4.03Å; A90-Y128 HydrophobicContact CB-CE2 4.03Å; P92-Y128 HydrophobicContact CG-CD1 4.29Å; G126-Y128 PolarHBondContact O-N 2.88Å; G126-Y128 VanDerWaalsContact O-N 3.1Å; Y128-L157 HydrophobicContact CD1-CD1 4.02Å; Y128-L157 HydrophobicContact CD2-CD1 4.33Å; Y128-L157 HydrophobicContact CD2-CD2 4.03Å; Y128-L157 HydrophobicContact CG-CD1 3.94Å; Y128-L157 HydrophobicContact CG-CD2 4.04Å; Y128-L157 HydrophobicContact CG-CG 4.48Å
129A94.3Very high93.6Very high28 Ų2863.2 Ų63.223%0.23136%0.359CS..  trans-58.6141.2175.100000110.6D118 G126D118-A129 WeakPolarHBondContact OD2-CA 3.19Å; G126-A129 WeakPolarHBondContact O-CB 3.1Å; G126-A129 PolarHBondContact O-N 3.3Å
130N97Very high93.8Very high14 Ų1464.6 Ų64.68%0.07537%0.365CS..  trans-62.4154-178.981.187.5000112.2K111 M114 D115 D118 V155K111-N130 PolarHBondContact NZ-OD1 3.21Å; M114-N130 HydrophobicContact CB-CB 3.71Å; M114-N130 VanDerWaalsContact CB-CG 3.45Å; M114-N130 HydrophobicContact CE-CB 4.41Å; M114-N130 HydrophobicContact CG-CB 4.39Å; M114-N130 PolarHBondContact O-ND2 3.46Å; M114-N130 HydrophobicContact SD-CB 4.12Å; D115-N130 PolarHBondContact OD1-ND2 3.15Å; D118-N130 WeakPolarHBondContact OD2-CB 3.2Å; D118-N130 PolarHBondContact OD2-N 3.18Å; D118-N130 PolarHBondContact OD2-ND2 2.97Å; N130-V155 WeakPolarHBondContact CA-O 3.31Å; N130-V155 WeakPolarHBondContact CB-O 3.26Å
131Y97.5Very high94.2Very high92 Ų9266.2 Ų66.236%0.36137%0.368SS..EExtended strand (participates in β ladder)trans-148159.4173.157.4-90000111.4L133 R141 G154 V155Y131-L133 HydrophobicContact CD2-CD2 3.9Å; Y131-L133 HydrophobicContact CD2-CG 4.14Å; Y131-L133 HydrophobicContact CE2-CD1 4.29Å; Y131-L133 HydrophobicContact CE2-CD2 3.62Å; Y131-L133 HydrophobicContact CE2-CG 3.89Å; Y131-R141 PolarHBondContact OH-NH1 3.47Å; Y131-R141 PolarHBondContact OH-NH2 3.05Å; Y131-R141 VanDerWaalsContact OH-NH2 3.14Å; Y131-G154 CarbonylContact O-C 3.53Å; Y131-G154 WeakPolarHBondContact O-CA 3.19Å; Y131-V155 HydrophobicContact CD1-CB 4.23Å; Y131-V155 HydrophobicContact CD2-CB 4.12Å; Y131-V155 HydrophobicContact CD2-CG2 4.23Å; Y131-V155 HydrophobicContact CE1-CB 3.78Å; Y131-V155 HydrophobicContact CE1-CG1 3.81Å; Y131-V155 HydrophobicContact CE1-CG2 4.48Å; Y131-V155 HydrophobicContact CE2-CB 3.64Å; Y131-V155 HydrophobicContact CE2-CG1 4.32Å; Y131-V155 HydrophobicContact CE2-CG2 3.51Å; Y131-V155 HydrophobicContact CG-CB 4.4Å; Y131-V155 VanDerWaalsContact CZ-CB 3.48Å; Y131-V155 PolarHBondContact N-O 3.03Å; Y131-V155 PolarHBondContact O-N 2.86Å
132M98.2Very high94.6Very high61 Ų6165.3 Ų65.330%0.336%0.361SS..EExtended strand (participates in β ladder)trans-91.6149.4174.7-64.4-59.3-66.700110.2L107 V110 K111 M114 G153L107-M132 HydrophobicContact CB-CE 4.4Å; L107-M132 HydrophobicContact CD2-CE 3.91Å; L107-M132 WeakPolarHBondContact O-CE 3.28Å; V110-M132 HydrophobicContact CG1-CE 3.69Å; V110-M132 HydrophobicContact CG1-SD 4.06Å; K111-M132 HydrophobicContact CB-CG 4.31Å; K111-M132 HydrophobicContact CB-SD 3.8Å; K111-M132 HydrophobicContact CD-CG 3.97Å; K111-M132 HydrophobicContact CD-SD 4.14Å; K111-M132 HydrophobicContact CG-CG 4.33Å; K111-M132 HydrophobicContact CG-SD 4.38Å; M114-M132 HydrophobicContact CE-SD 3.42Å; M114-M132 WeakPolarHBondContact CE-SD 3.45Å; M132-G153 WeakPolarHBondContact CA-O 3.49Å; M132-G153 VanDerWaalsContact CE-O 3.29Å; M132-G153 WeakPolarHBondContact CE-O 3.42Å
133L98Very high95Very high10 Ų1066.8 Ų66.85%0.05236%0.358CS..EExtended strand (participates in β ladder)trans-120.3140.5171.2-68.5-179.6000110.5Y131 E137 I138 G152 G153 V155Y131-L133 HydrophobicContact CD2-CD2 3.9Å; Y131-L133 HydrophobicContact CD2-CG 4.14Å; Y131-L133 HydrophobicContact CE2-CD1 4.29Å; Y131-L133 HydrophobicContact CE2-CD2 3.62Å; Y131-L133 HydrophobicContact CE2-CG 3.89Å; L133-E137 VanDerWaalsContact CA-OE2 3.3Å; L133-E137 WeakPolarHBondContact CA-OE2 3.22Å; L133-E137 HydrophobicContact CB-CB 4.21Å; L133-E137 HydrophobicContact CD2-CB 3.86Å; L133-E137 HydrophobicContact CD2-CG 4.5Å; L133-I138 HydrophobicContact CB-CD1 4.22Å; L133-I138 HydrophobicContact CB-CG1 3.7Å; L133-I138 HydrophobicContact CD1-CG1 3.96Å; L133-G152 WeakPolarHBondContact O-CA 3.36Å; L133-G153 PolarHBondContact N-O 2.68Å; L133-G153 PolarHBondContact O-N 3.5Å; L133-V155 HydrophobicContact CD1-CG2 3.53Å; L133-V155 HydrophobicContact CG-CG2 4.02Å
134S98.2Very high95.4Very high45 Ų4567.4 Ų67.432%0.31536%0.36SS..EExtended strand (participates in β ladder)trans-69.9166.416692.70000110.7E136 E137 I138S134-E136 VanDerWaalsContact C-N 3.26Å; S134-E136 WeakPolarHBondContact CB-OE2 3.47Å; S134-E136 PolarHBondContact O-N 2.88Å; S134-E136 PolarHBondContact OG-N 3.3Å; S134-E136 PolarHBondContact OG-OE2 3Å; S134-E137 PolarHBondContact N-OE2 2.72Å; S134-E137 PolarHBondContact O-N 3.46Å; S134-E137 PolarHBondContact OG-N 3.17Å; S134-I138 WeakPolarHBondContact O-CG1 3.32Å; S134-I138 PolarHBondContact O-N 2.87Å; S134-I138 VanDerWaalsContact O-N 3.09Å
135K97.8Very high96Very high64 Ų6463.4 Ų63.428%0.27834%0.335SS..Hα-helixtrans-53.6-45.5172.1178.2-176.9-173.8158.90111.8I138 L139 S147 L150K135-I138 PolarHBondContact O-N 3.3Å; K135-L139 HydrophobicContact CG-CD1 4.02Å; K135-L139 WeakPolarHBondContact O-CG 3.22Å; K135-L139 PolarHBondContact O-N 3.04Å; K135-S147 WeakPolarHBondContact CE-O 3.25Å; K135-S147 PolarHBondContact NZ-O 2.86Å; K135-L150 WeakPolarHBondContact CD-O 3.42Å; K135-L150 HydrophobicContact CG-CB 4.36Å; K135-L150 HydrophobicContact CG-CD2 3.95Å; K135-L150 HydrophobicContact CG-CG 4.04Å
136E98.1Very high96.5Very high127 Ų12760.5 Ų60.559%0.59330%0.304SS*.Hα-helixtrans-64.5-43.6-177.9-59.969.5-149.300111.2S134 I138 L139 E140S134-E136 VanDerWaalsContact C-N 3.26Å; S134-E136 WeakPolarHBondContact CB-OE2 3.47Å; S134-E136 PolarHBondContact O-N 2.88Å; S134-E136 PolarHBondContact OG-N 3.3Å; S134-E136 PolarHBondContact OG-OE2 3Å; E136-I138 VanDerWaalsContact C-N 3.33Å; E136-I138 PolarHBondContact O-N 2.95Å; E136-L139 PolarHBondContact O-N 3.49Å; E136-E140 PolarHBondContact O-N 2.93Å
137E98.2Very high96.9Very high88 Ų8861.8 Ų61.841%0.41131%0.306SS..Hα-helixtrans-65.8-34.8178.3-65.2173.6132.300112.3L133 S134 R141L133-E137 VanDerWaalsContact CA-OE2 3.3Å; L133-E137 WeakPolarHBondContact CA-OE2 3.22Å; L133-E137 HydrophobicContact CB-CB 4.21Å; L133-E137 HydrophobicContact CD2-CB 3.86Å; L133-E137 HydrophobicContact CD2-CG 4.5Å; S134-E137 PolarHBondContact N-OE2 2.72Å; S134-E137 PolarHBondContact O-N 3.46Å; S134-E137 PolarHBondContact OG-N 3.17Å; E137-R141 WeakPolarHBondContact O-CG 3.49Å; E137-R141 PolarHBondContact O-N 3.49Å
138I98.1Very high97.2Very high0 Ų061.9 Ų61.90%031%0.309CS..Hα-helixtrans-66.7-47.8173.5-69.9177.6000110.7P96 L133 S134 K135 E136 E140 R141 E142 L145 L150 G152P96-I138 HydrophobicContact CB-CD1 4.29Å; L133-I138 HydrophobicContact CB-CD1 4.22Å; L133-I138 HydrophobicContact CB-CG1 3.7Å; L133-I138 HydrophobicContact CD1-CG1 3.96Å; S134-I138 WeakPolarHBondContact O-CG1 3.32Å; S134-I138 PolarHBondContact O-N 2.87Å; S134-I138 VanDerWaalsContact O-N 3.09Å; K135-I138 PolarHBondContact O-N 3.3Å; E136-I138 VanDerWaalsContact C-N 3.33Å; E136-I138 PolarHBondContact O-N 2.95Å; I138-E140 PolarHBondContact O-N 3.19Å; I138-R141 PolarHBondContact O-N 3.4Å; I138-R141 VanDerWaalsContact O-N 3.07Å; I138-E142 PolarHBondContact O-N 3.23Å; I138-L145 HydrophobicContact CG2-CD2 3.43Å; I138-L145 VanDerWaalsContact CG2-CD2 3.43Å; I138-L150 HydrophobicContact CB-CD2 4.34Å; I138-L150 HydrophobicContact CD1-CD1 4.38Å; I138-L150 HydrophobicContact CG2-CD2 3.99Å; I138-G152 WeakPolarHBondContact CD1-O 3.49Å
139L98Very high97.3Very high44 Ų4459.8 Ų59.823%0.2331%0.311CS..Hα-helixtrans-68.6-22.4-178.8-67.3173.8000112.9K135 E136 E142 P143 L145 L150K135-L139 HydrophobicContact CG-CD1 4.02Å; K135-L139 WeakPolarHBondContact O-CG 3.22Å; K135-L139 PolarHBondContact O-N 3.04Å; E136-L139 PolarHBondContact O-N 3.49Å; L139-E142 CarbonylContact O-C 3.49Å; L139-P143 VanDerWaalsContact O-CA 3.28Å; L139-P143 WeakPolarHBondContact O-CA 3.42Å; L139-L145 HydrophobicContact CD2-CB 4.35Å; L139-L145 WeakPolarHBondContact CD2-O 3.41Å; L139-L150 HydrophobicContact CD1-CD2 4.44Å; L139-L150 HydrophobicContact CD2-CD2 3.95Å; L139-L150 HydrophobicContact CG-CD2 3.94Å
140E97.7Very high97.5Very high160 Ų16058.7 Ų58.775%0.74830%0.302SS*.Hα-helixtrans-67.4-40169.3-174.3177-175.400111.7E136 I138E136-E140 PolarHBondContact O-N 2.93Å; I138-E140 PolarHBondContact O-N 3.19Å
141R97.2Very high97.5Very high79 Ų7962 Ų6230%0.29832%0.319SS..Hα-helixtrans-78.8-41.9178.8-63.9-179.8-171.2-1564.6112.8I94 Y131 E137 I138 P143 P261I94-R141 HydrophobicContact CD1-CB 4.36Å; Y131-R141 PolarHBondContact OH-NH1 3.47Å; Y131-R141 PolarHBondContact OH-NH2 3.05Å; Y131-R141 VanDerWaalsContact OH-NH2 3.14Å; E137-R141 WeakPolarHBondContact O-CG 3.49Å; E137-R141 PolarHBondContact O-N 3.49Å; I138-R141 PolarHBondContact O-N 3.4Å; I138-R141 VanDerWaalsContact O-N 3.07Å; R141-P143 WeakPolarHBondContact O-CD 3.34Å; R141-P261 HydrophobicContact CB-CG 4.43Å; R141-P261 WeakPolarHBondContact O-CG 3.27Å
142E97.4Very high97.5Very high1 Ų157.6 Ų57.61%0.00530%0.302CS..  trans-123.279.3179.2-67.1-164-174.500111.2I138 L139 Q144 L145 P261 T264 Y319I138-E142 PolarHBondContact O-N 3.23Å; L139-E142 CarbonylContact O-C 3.49Å; E142-Q144 PolarHBondContact O-N 3.35Å; E142-Q144 VanDerWaalsContact O-N 3.13Å; E142-L145 HydrophobicContact CB-CB 3.98Å; E142-L145 VanDerWaalsContact O-CB 3.27Å; E142-L145 WeakPolarHBondContact O-CB 3.46Å; E142-L145 PolarHBondContact O-N 3.28Å; E142-P261 HydrophobicContact CG-CG 4.47Å; E142-T264 WeakPolarHBondContact OE1-CB 3.34Å; E142-T264 PolarHBondContact OE1-OG1 2.94Å; E142-Y319 PolarHBondContact OE2-OH 3.1Å
143P97.3Very high97.5Very high101 Ų10154.7 Ų54.766%0.65629%0.288SS*.THydrogen-bonded Turntrans-63-20.5-178.6-2434.4000114.5L139 R141 L145L139-P143 VanDerWaalsContact O-CA 3.28Å; L139-P143 WeakPolarHBondContact O-CA 3.42Å; R141-P143 WeakPolarHBondContact O-CD 3.34Å; P143-L145 VanDerWaalsContact C-N 3.35Å
144Q97.6Very high97.4Very high47 Ų4754.2 Ų54.222%0.2229%0.285CS..THydrogen-bonded Turntrans-82.7-11.6178.2-67.2-178.5-40.900112.9E142 K257 Y319 V322E142-Q144 PolarHBondContact O-N 3.35Å; E142-Q144 VanDerWaalsContact O-N 3.13Å; Q144-K257 PolarHBondContact NE2-O 2.95Å; Q144-Y319 HydrophobicContact CB-CD1 3.89Å; Q144-Y319 WeakPolarHBondContact O-CA 3.36Å; Q144-V322 HydrophobicContact CB-CG2 4.21Å; Q144-V322 HydrophobicContact CG-CG2 4.31Å
145L98Very high97.4Very high7 Ų752.2 Ų52.24%0.03727%0.271CS..SBendtrans-69.3142.5-177.7-167.575.1000111P96 F98 I138 L139 E142 P143 S147 L150 R318 Y319P96-L145 HydrophobicContact CB-CD2 3.98Å; P96-L145 HydrophobicContact CG-CD2 4.26Å; F98-L145 HydrophobicContact CZ-CD2 4.28Å; F98-L145 HydrophobicContact CZ-CG 4.22Å; I138-L145 HydrophobicContact CG2-CD2 3.43Å; I138-L145 VanDerWaalsContact CG2-CD2 3.43Å; L139-L145 HydrophobicContact CD2-CB 4.35Å; L139-L145 WeakPolarHBondContact CD2-O 3.41Å; E142-L145 HydrophobicContact CB-CB 3.98Å; E142-L145 VanDerWaalsContact O-CB 3.27Å; E142-L145 WeakPolarHBondContact O-CB 3.46Å; E142-L145 PolarHBondContact O-N 3.28Å; P143-L145 VanDerWaalsContact C-N 3.35Å; L145-S147 PolarHBondContact O-N 2.99Å; L145-L150 HydrophobicContact CD2-CD1 4.43Å; L145-L150 HydrophobicContact CD2-CD2 4.12Å; L145-R318 HydrophobicContact CD1-CG 3.68Å; L145-Y319 HydrophobicContact CB-CE1 4.21Å; L145-Y319 HydrophobicContact CD1-CD1 4.38Å; L145-Y319 HydrophobicContact CD1-CE1 3.71Å; L145-Y319 HydrophobicContact CD1-CE2 4.24Å
146A97.4Very high97.3Very high12 Ų1249.4 Ų49.410%0.09926%0.258CS..  trans-54.7124.617600000111.1F98 R318 P320F98-A146 HydrophobicContact CE1-CB 3.98Å; F98-A146 VanDerWaalsContact CE1-O 3.25Å; F98-A146 WeakPolarHBondContact CE1-O 3.3Å; F98-A146 HydrophobicContact CZ-CB 4.27Å; F98-A146 WeakPolarHBondContact CZ-O 3.33Å; A146-R318 WeakPolarHBondContact CB-O 3.43Å; A146-R318 PolarHBondContact N-O 2.78Å; A146-P320 HydrophobicContact CB-CG 4.32Å
147S97Very high97.2Very high67 Ų6743.4 Ų43.447%0.46923%0.23SC..  trans-90.3-21.6178.666.50000113K135 L145K135-S147 WeakPolarHBondContact CE-O 3.25Å; K135-S147 PolarHBondContact NZ-O 2.86Å; L145-S147 PolarHBondContact O-N 2.99Å
148E95.5Very high96.9Very high176 Ų17639.3 Ų39.382%0.82221%0.211SC*.SBendtrans-70.7132.8175.8-172.1172.6-173.600110F98 L150F98-E148 WeakPolarHBondContact CD1-O 3.46Å; F98-E148 WeakPolarHBondContact CE1-O 3.14Å; E148-L150 PolarHBondContact O-N 3.18Å
149G95Very high96.8Very high33 Ų3340.4 Ų40.434%0.3422%0.216SC..SBendtrans71.4-14-177.500000115.8F98 D99 L151F98-G149 CarbonylContact C-O 3.26Å; F98-G149 WeakPolarHBondContact CA-O 3.34Å; D99-G149 PolarHBondContact N-O 3.23Å; G149-L151 PolarHBondContact O-N 2.93Å
150L97.7Very high96.6Very high5 Ų542.1 Ų42.13%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-63.7121.5179.2-178.463.3000111.1P96 F98 K135 I138 L139 L145 E148P96-L150 HydrophobicContact CB-CD1 3.82Å; F98-L150 HydrophobicContact CD1-CB 4.09Å; F98-L150 HydrophobicContact CD2-CD1 4.21Å; F98-L150 HydrophobicContact CE1-CB 3.72Å; F98-L150 HydrophobicContact CE1-CD1 4.23Å; F98-L150 HydrophobicContact CE2-CD1 3.8Å; F98-L150 HydrophobicContact CZ-CB 4.1Å; F98-L150 HydrophobicContact CZ-CD1 3.8Å; F98-L150 HydrophobicContact CZ-CG 4.43Å; K135-L150 WeakPolarHBondContact CD-O 3.42Å; K135-L150 HydrophobicContact CG-CB 4.36Å; K135-L150 HydrophobicContact CG-CD2 3.95Å; K135-L150 HydrophobicContact CG-CG 4.04Å; I138-L150 HydrophobicContact CB-CD2 4.34Å; I138-L150 HydrophobicContact CD1-CD1 4.38Å; I138-L150 HydrophobicContact CG2-CD2 3.99Å; L139-L150 HydrophobicContact CD1-CD2 4.44Å; L139-L150 HydrophobicContact CD2-CD2 3.95Å; L139-L150 HydrophobicContact CG-CD2 3.94Å; L145-L150 HydrophobicContact CD2-CD1 4.43Å; L145-L150 HydrophobicContact CD2-CD2 4.12Å; E148-L150 PolarHBondContact O-N 3.18Å
151L97.3Very high96.6Very high82 Ų8234.5 Ų34.543%0.42918%0.184SC..EExtended strand (participates in β ladder)trans-96.6-27.5-179.2-63.8177.1000112.9I97 D99 L107 G149I97-L151 HydrophobicContact CG2-CD1 4.21Å; I97-L151 WeakPolarHBondContact O-CB 3.38Å; I97-L151 PolarHBondContact O-N 3.24Å; D99-L151 HydrophobicContact CB-CD1 3.99Å; D99-L151 HydrophobicContact CB-CD2 4.1Å; D99-L151 HydrophobicContact CB-CG 4.07Å; L107-L151 HydrophobicContact CD1-CB 4.03Å; L107-L151 HydrophobicContact CD2-CB 4.42Å; L107-L151 HydrophobicContact CG-CB 4.18Å; G149-L151 PolarHBondContact O-N 2.93Å
152G97.9Very high96.6Very high1 Ų131.6 Ų31.61%0.0117%0.174CC..EExtended strand (participates in β ladder)trans141.2-156.5-168.900000109.1I97 L133 I138I97-G152 PolarHBondContact N-O 2.96Å; L133-G152 WeakPolarHBondContact O-CA 3.36Å; I138-G152 WeakPolarHBondContact CD1-O 3.49Å
153G97.6Very high96.6Very high0 Ų031.6 Ų31.60%017%0.174CC..EExtended strand (participates in β ladder)trans177.6-175.9179.300000114L95 M132 L133L95-G153 WeakPolarHBondContact O-CA 3.48Å; M132-G153 WeakPolarHBondContact CA-O 3.49Å; M132-G153 VanDerWaalsContact CE-O 3.29Å; M132-G153 WeakPolarHBondContact CE-O 3.42Å; L133-G153 PolarHBondContact N-O 2.68Å; L133-G153 PolarHBondContact O-N 3.5Å
154G97.4Very high96.7Very high0 Ų027.1 Ų27.10%015%0.145CC..EExtended strand (participates in β ladder)trans-118.6152177.700000111.9L95 Y131L95-G154 PolarHBondContact N-O 3.2Å; L95-G154 PolarHBondContact O-N 2.93Å; Y131-G154 CarbonylContact O-C 3.53Å; Y131-G154 WeakPolarHBondContact O-CA 3.19Å
155V97.8Very high96.7Very high2 Ų225 Ų251%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-117127.8165.3-178.20000108.6P92 M93 I94 N130 Y131 L133P92-V155 HydrophobicContact CB-CG1 3.84Å; M93-V155 VanDerWaalsContact O-CA 3.29Å; M93-V155 WeakPolarHBondContact O-CA 3.29Å; I94-V155 HydrophobicContact CG1-CG2 4.08Å; N130-V155 WeakPolarHBondContact CA-O 3.31Å; N130-V155 WeakPolarHBondContact CB-O 3.26Å; Y131-V155 HydrophobicContact CD1-CB 4.23Å; Y131-V155 HydrophobicContact CD2-CB 4.12Å; Y131-V155 HydrophobicContact CD2-CG2 4.23Å; Y131-V155 HydrophobicContact CE1-CB 3.78Å; Y131-V155 HydrophobicContact CE1-CG1 3.81Å; Y131-V155 HydrophobicContact CE1-CG2 4.48Å; Y131-V155 HydrophobicContact CE2-CB 3.64Å; Y131-V155 HydrophobicContact CE2-CG1 4.32Å; Y131-V155 HydrophobicContact CE2-CG2 3.51Å; Y131-V155 HydrophobicContact CG-CB 4.4Å; Y131-V155 VanDerWaalsContact CZ-CB 3.48Å; Y131-V155 PolarHBondContact N-O 3.03Å; Y131-V155 PolarHBondContact O-N 2.86Å; L133-V155 HydrophobicContact CD1-CG2 3.53Å; L133-V155 HydrophobicContact CG-CG2 4.02Å
156Y95.7Very high96.8Very high5 Ų524.7 Ų24.72%0.0213%0.134CC..EExtended strand (participates in β ladder)trans-139.3161.5179.368.9-80000111.2L59 P92 M93 L95 M114 Y117 D158L59-Y156 HydrophobicContact CB-CE2 4.02Å; L59-Y156 HydrophobicContact CD2-CD1 3.85Å; L59-Y156 HydrophobicContact CD2-CD2 4.26Å; L59-Y156 HydrophobicContact CD2-CE1 3.56Å; L59-Y156 HydrophobicContact CD2-CE2 4Å; L59-Y156 HydrophobicContact CD2-CG 4.19Å; P92-Y156 CarbonylContact C-O 3.58Å; P92-Y156 WeakPolarHBondContact CA-O 3.31Å; M93-Y156 HydrophobicContact CB-CE1 4.19Å; M93-Y156 HydrophobicContact CG-CE1 4.31Å; M93-Y156 PolarHBondContact N-O 2.68Å; M93-Y156 PolarHBondContact O-N 3.38Å; M93-Y156 VanDerWaalsContact O-N 3.17Å; M93-Y156 HydrophobicContact SD-CE1 4.29Å; M93-Y156 PolarHBondContact SD-OH 2.78Å; L95-Y156 HydrophobicContact CB-CE1 4.06Å; L95-Y156 HydrophobicContact CD1-CE1 4.06Å; M114-Y156 HydrophobicContact CG-CD1 4.45Å; M114-Y156 HydrophobicContact CG-CG 4.42Å; M114-Y156 HydrophobicContact SD-CD1 4.14Å; M114-Y156 HydrophobicContact SD-CG 4.41Å; Y117-Y156 HydrophobicContact CD1-CD2 4.19Å; Y117-Y156 AromaticContact CE1-CD2 3.8Å; Y117-Y156 HydrophobicContact CE1-CD2 3.8Å; Y117-Y156 HydrophobicContact CE1-CE2 4.26Å; Y156-D158 VanDerWaalsContact CE2-OD2 3.31Å; Y156-D158 WeakPolarHBondContact CE2-OD2 3.37Å
157L94.5Very high96.8Very high1 Ų124.1 Ų24.11%0.00513%0.129CC..  trans-79.6127.2-177.6-179.464.7000112R77 A90 Y117 I123 Y128 Y159R77-L157 PolarHBondContact NH1-O 3.01Å; A90-L157 HydrophobicContact CB-CD1 3.78Å; Y117-L157 WeakPolarHBondContact CE1-O 3.46Å; I123-L157 HydrophobicContact CD1-CB 3.86Å; I123-L157 HydrophobicContact CD1-CD2 3.75Å; I123-L157 HydrophobicContact CD1-CG 4.45Å; Y128-L157 HydrophobicContact CD1-CD1 4.02Å; Y128-L157 HydrophobicContact CD2-CD1 4.33Å; Y128-L157 HydrophobicContact CD2-CD2 4.03Å; Y128-L157 HydrophobicContact CG-CD1 3.94Å; Y128-L157 HydrophobicContact CG-CD2 4.04Å; Y128-L157 HydrophobicContact CG-CG 4.48Å; L157-Y159 HydrophobicContact CD1-CE2 4.17Å; L157-Y159 HydrophobicContact CD2-CE2 3.71Å; L157-Y159 HydrophobicContact CG-CD2 4.41Å; L157-Y159 HydrophobicContact CG-CE2 3.8Å
158D93.5Very high96.9Very high2 Ų221 Ų211%0.01111%0.107CC..  trans-136.5179157.9-99.3-28.2000109.4H56 G57 R77 D91 M93 Y117 Y156H56-D158 VanDerWaalsContact CA-OD1 3.3Å; H56-D158 WeakPolarHBondContact CA-OD1 3.41Å; G57-D158 PolarHBondContact N-OD1 3.4Å; G57-D158 VanDerWaalsContact N-OD1 3.07Å; R77-D158 IonicContact CZ-OD1 3.8Å; R77-D158 IonicContact NH1-OD1 2.81Å; R77-D158 PolarHBondContact NH1-OD1 3.37Å; D91-D158 CarbonylContact C-O 3.59Å; D91-D158 PolarHBondContact N-O 3.33Å; M93-D158 HydrophobicContact CE-CB 4.07Å; Y117-D158 PolarHBondContact OH-OD1 2.94Å; Y156-D158 VanDerWaalsContact CE2-OD2 3.31Å; Y156-D158 WeakPolarHBondContact CE2-OD2 3.37Å
159Y94.5Very high97.1Very high24 Ų2412.7 Ų12.79%0.0947%0.068CC..EExtended strand (participates in β ladder)trans-124.9125.7-173.8-70.1-110.1000110.6L54 V55 R77 Q81 P88 K89 A90 L157L54-Y159 CarbonylContact C-O 3.52Å; L54-Y159 VanDerWaalsContact CA-O 3.32Å; L54-Y159 WeakPolarHBondContact CA-O 3.29Å; V55-Y159 PolarHBondContact N-O 3.44Å; R77-Y159 HydrophobicContact CG-CD2 3.6Å; R77-Y159 HydrophobicContact CG-CE2 3.89Å; R77-Y159 HydrophobicContact CG-CG 4.25Å; Q81-Y159 HydrophobicContact CB-CD1 4.44Å; Q81-Y159 HydrophobicContact CB-CE1 4.05Å; Q81-Y159 HydrophobicContact CG-CD1 4.3Å; Q81-Y159 HydrophobicContact CG-CE1 3.79Å; P88-Y159 HydrophobicContact CB-CD1 4.22Å; K89-Y159 CarbonylContact O-C 3.49Å; K89-Y159 VanDerWaalsContact O-CA 3.24Å; K89-Y159 WeakPolarHBondContact O-CA 3.45Å; A90-Y159 HydrophobicContact CB-CD1 4.37Å; A90-Y159 HydrophobicContact CB-CE1 4Å; L157-Y159 HydrophobicContact CD1-CE2 4.17Å; L157-Y159 HydrophobicContact CD2-CE2 3.71Å; L157-Y159 HydrophobicContact CG-CD2 4.41Å; L157-Y159 HydrophobicContact CG-CE2 3.8Å
160R95.2Very high97.3Very high79 Ų7911.2 Ų11.230%0.2985%0.053SC..EExtended strand (participates in β ladder)trans-69.9144.316467.3170.1175.7-100.40.4109.1L54 P88 K89 D91L54-R160 HydrophobicContact CD2-CB 4.34Å; P88-R160 CarbonylContact C-O 3.37Å; P88-R160 WeakPolarHBondContact CA-O 3.42Å; K89-R160 HydrophobicContact CB-CG 4.05Å; K89-R160 PolarHBondContact N-O 2.76Å; K89-R160 PolarHBondContact O-N 2.81Å; D91-R160 HydrophobicContact CB-CB 4.15Å; D91-R160 HydrophobicContact CB-CG 4.1Å; D91-R160 VanDerWaalsContact CG-NH1 3.34Å; D91-R160 IonicContact OD1-NH1 2.66Å; D91-R160 WeakPolarHBondContact OD2-CD 3.47Å; D91-R160 IonicContact OD2-CZ 2.56Å; D91-R160 IonicContact OD2-NH1 2.78Å; D91-R160 PolarHBondContact OD2-NH1 3.43Å
161N96.8Very high97.3Very high1 Ų111.2 Ų11.21%0.0055%0.052CC..  trans-135.2159.2-175.3-175.650.3000111.3K53 V55 I87 D163 R281K53-N161 WeakPolarHBondContact CB-O 3.45Å; K53-N161 PolarHBondContact O-N 2.87Å; K53-N161 VanDerWaalsContact O-O 3.07Å; V55-N161 HydrophobicContact CG2-CB 3.88Å; I87-N161 WeakPolarHBondContact CG2-OD1 3.26Å; N161-D163 PolarHBondContact ND2-N 2.99Å; N161-R281 PolarHBondContact O-NH1 2.73Å; N161-R281 PolarHBondContact O-NH2 3.46Å
162N97.7Very high97.4Very high17 Ų178.1 Ų8.19%0.0914%0.036CC..  trans-114.3104.7162-172.1-31.6000107.6I87 A164 R165 L166 N539I87-N162 HydrophobicContact CG2-CB 4.17Å; I87-N162 WeakPolarHBondContact CG2-O 2.92Å; N162-A164 PolarHBondContact OD1-N 3.42Å; N162-R165 HydrophobicContact CB-CB 3.94Å; N162-R165 HydrophobicContact CB-CG 3.99Å; N162-R165 VanDerWaalsContact ND2-CG 3.35Å; N162-R165 WeakPolarHBondContact ND2-CG 3.48Å; N162-R165 PolarHBondContact O-N 3.47Å; N162-R165 PolarHBondContact OD1-N 2.92Å; N162-R165 VanDerWaalsContact OD1-N 3.16Å; N162-L166 WeakPolarHBondContact O-CB 3.42Å; N162-L166 PolarHBondContact O-N 2.92Å; N162-N539 PolarHBondContact ND2-OD1 3.05Å
163D98.1Very high97.4Very high2 Ų210.4 Ų10.41%0.0114%0.044CC..Hα-helixtrans-67.4-43.3-171.753.1-11000111.9S48 R50 S51 K53 N161 R165 L166 V167 L420S48-D163 CarbonylContact O-C 3.31Å; S48-D163 WeakPolarHBondContact O-CB 3.16Å; S48-D163 VanDerWaalsContact O-CG 3.31Å; R50-D163 PolarHBondContact N-OD2 3.19Å; S51-D163 WeakPolarHBondContact CB-OD2 3.37Å; S51-D163 PolarHBondContact N-OD2 2.79Å; S51-D163 PolarHBondContact OG-OD2 3.44Å; K53-D163 WeakPolarHBondContact CG-OD1 3.32Å; K53-D163 IonicContact NZ-OD1 3.88Å; K53-D163 IonicContact NZ-OD2 3.18Å; K53-D163 PolarHBondContact NZ-OD2 2.72Å; N161-D163 PolarHBondContact ND2-N 2.99Å; D163-R165 PolarHBondContact O-N 3.16Å; D163-L166 PolarHBondContact O-N 2.73Å; D163-V167 WeakPolarHBondContact O-CG2 3.18Å; D163-V167 PolarHBondContact O-N 2.92Å; D163-V167 VanDerWaalsContact O-N 3.16Å; D163-L420 HydrophobicContact CB-CD1 3.52Å
164A98.5Very high97.5Very high6 Ų610.5 Ų10.55%0.054%0.044CC..Hα-helixtrans-62.6-42174.700000112.4A44 S48 N162 V167 I168 R536A44-A164 HydrophobicContact CB-CB 4.19Å; S48-A164 PolarHBondContact O-N 2.67Å; N162-A164 PolarHBondContact OD1-N 3.42Å; A164-V167 PolarHBondContact O-N 2.71Å; A164-I168 PolarHBondContact O-N 2.94Å; A164-I168 VanDerWaalsContact O-N 3.09Å; A164-R536 HydrophobicContact CB-CB 4.29Å; A164-R536 WeakPolarHBondContact CB-O 3.19Å
165R98.6Very high97.5Very high3 Ų313 Ų131%0.0116%0.06CC..Hα-helixtrans-64.7-41.5175.2-64.5-58.5-58.2173.67.7111.9I87 N162 D163 V167 I168 E169 L490 Y491 E525 R537I87-R165 HydrophobicContact CD1-CB 4.48Å; I87-R165 HydrophobicContact CG2-CB 4.39Å; N162-R165 HydrophobicContact CB-CB 3.94Å; N162-R165 HydrophobicContact CB-CG 3.99Å; N162-R165 VanDerWaalsContact ND2-CG 3.35Å; N162-R165 WeakPolarHBondContact ND2-CG 3.48Å; N162-R165 PolarHBondContact O-N 3.47Å; N162-R165 PolarHBondContact OD1-N 2.92Å; N162-R165 VanDerWaalsContact OD1-N 3.16Å; D163-R165 PolarHBondContact O-N 3.16Å; R165-V167 PolarHBondContact O-N 2.89Å; R165-I168 WeakPolarHBondContact O-CG2 3.34Å; R165-I168 PolarHBondContact O-N 2.91Å; R165-E169 IonicContact CZ-OE1 2.86Å; R165-E169 IonicContact NE-OE1 3.79Å; R165-E169 IonicContact NH2-OE1 3.88Å; R165-E169 PolarHBondContact NH2-OE1 3.01Å; R165-E169 WeakPolarHBondContact O-CB 3.46Å; R165-E169 VanDerWaalsContact O-CG 3.25Å; R165-E169 WeakPolarHBondContact O-CG 3.47Å; R165-E169 PolarHBondContact O-N 3.47Å; R165-L490 HydrophobicContact CG-CD1 3.97Å; R165-Y491 VanDerWaalsContact NH2-CD1 3.25Å; R165-E525 IonicContact CZ-OE1 3.94Å; R165-E525 IonicContact CZ-OE2 3.54Å; R165-E525 VanDerWaalsContact NH1-CD 3.31Å; R165-E525 IonicContact NH1-OE1 3.67Å; R165-E525 PolarHBondContact NH1-OE1 2.85Å; R165-E525 VanDerWaalsContact NH1-OE1 3.12Å; R165-E525 IonicContact NH1-OE2 3.42Å; R165-E525 PolarHBondContact NH1-OE2 3.39Å; R165-E525 IonicContact NH2-OE1 2.74Å; R165-E525 PolarHBondContact NH2-OE1 3.37Å; R165-E525 IonicContact NH2-OE2 2.7Å; R165-R537 WeakPolarHBondContact CD-O 3.47Å; R165-R537 PolarHBondContact NH1-O 3.23Å
166L98.6Very high97.5Very high0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-57.5-41.3177.2-171.964.4000111.5I19 I80 A84 I87 N162 D163 N170 L420 Y423I19-L166 HydrophobicContact CD1-CB 4.39Å; I19-L166 HydrophobicContact CD1-CD2 3.9Å; I19-L166 HydrophobicContact CD1-CG 3.75Å; I19-L166 HydrophobicContact CG1-CD2 4.44Å; I80-L166 HydrophobicContact CG2-CD1 4.25Å; I80-L166 HydrophobicContact CG2-CD2 4.44Å; A84-L166 HydrophobicContact CB-CD1 4.02Å; I87-L166 HydrophobicContact CD1-CB 4.37Å; I87-L166 HydrophobicContact CD1-CD1 4.01Å; I87-L166 HydrophobicContact CG2-CB 4.26Å; N162-L166 WeakPolarHBondContact O-CB 3.42Å; N162-L166 PolarHBondContact O-N 2.92Å; D163-L166 PolarHBondContact O-N 2.73Å; L166-N170 PolarHBondContact O-N 3.26Å; L166-N170 PolarHBondContact O-ND2 2.6Å; L166-L420 HydrophobicContact CD2-CD1 4.42Å; L166-L420 HydrophobicContact CD2-CD2 3.73Å; L166-L420 HydrophobicContact CD2-CG 4.12Å; L166-Y423 HydrophobicContact CD2-CD1 4.42Å; L166-Y423 HydrophobicContact CD2-CE1 4Å; L166-Y423 HydrophobicContact CG-CE1 4.49Å
167V98.8Very high97.7Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-63.9-53.9175.6176.30000111.6G17 I19 A22 A44 D163 A164 R165 E169 N170 I171G17-V167 WeakPolarHBondContact O-CG1 3.47Å; I19-V167 HydrophobicContact CB-CG2 3.82Å; I19-V167 HydrophobicContact CD1-CG2 4.02Å; I19-V167 HydrophobicContact CG1-CG2 4.47Å; A22-V167 HydrophobicContact CB-CG1 4.17Å; A44-V167 HydrophobicContact CB-CB 3.75Å; A44-V167 HydrophobicContact CB-CG1 3.86Å; A44-V167 HydrophobicContact CB-CG2 3.85Å; D163-V167 WeakPolarHBondContact O-CG2 3.18Å; D163-V167 PolarHBondContact O-N 2.92Å; D163-V167 VanDerWaalsContact O-N 3.16Å; A164-V167 PolarHBondContact O-N 2.71Å; R165-V167 PolarHBondContact O-N 2.89Å; V167-E169 VanDerWaalsContact C-N 3.28Å; V167-E169 PolarHBondContact O-N 2.75Å; V167-N170 WeakPolarHBondContact O-CB 3.48Å; V167-N170 PolarHBondContact O-N 3.18Å; V167-I171 HydrophobicContact CG1-CD1 3.81Å; V167-I171 HydrophobicContact CG1-CG1 4.47Å; V167-I171 WeakPolarHBondContact O-CG1 3.31Å; V167-I171 PolarHBondContact O-N 2.84Å
168I98.8Very high97.8Very high3 Ų320.9 Ų20.92%0.01513%0.125CC..Hα-helixtrans-65-34.1-173.4-164.761.9000111.7F43 A164 R165 I171 K172 E525F43-I168 HydrophobicContact CB-CD1 4.24Å; F43-I168 HydrophobicContact CD2-CD1 3.82Å; F43-I168 HydrophobicContact CG-CD1 4.44Å; A164-I168 PolarHBondContact O-N 2.94Å; A164-I168 VanDerWaalsContact O-N 3.09Å; R165-I168 WeakPolarHBondContact O-CG2 3.34Å; R165-I168 PolarHBondContact O-N 2.91Å; I168-I171 PolarHBondContact O-N 3.06Å; I168-K172 HydrophobicContact CG1-CD 3.99Å; I168-K172 HydrophobicContact CG1-CG 4.37Å; I168-K172 WeakPolarHBondContact O-CB 3.28Å; I168-K172 WeakPolarHBondContact O-CD 3.25Å; I168-K172 VanDerWaalsContact O-CG 3.25Å; I168-K172 WeakPolarHBondContact O-CG 3.47Å; I168-K172 PolarHBondContact O-N 2.85Å; I168-E525 HydrophobicContact CD1-CB 4.46Å; I168-E525 HydrophobicContact CG1-CB 4.1Å
169E98.8Very high98Very high0 Ų020.9 Ų20.90%013%0.126CC..Hα-helixtrans-71.3-31.9177.5-62.2-57.8175.900113.2I87 R165 V167 K172 R173 V453 S454I87-E169 HydrophobicContact CD1-CB 4.05Å; I87-E169 HydrophobicContact CD1-CG 3.79Å; R165-E169 IonicContact CZ-OE1 2.86Å; R165-E169 IonicContact NE-OE1 3.79Å; R165-E169 IonicContact NH2-OE1 3.88Å; R165-E169 PolarHBondContact NH2-OE1 3.01Å; R165-E169 WeakPolarHBondContact O-CB 3.46Å; R165-E169 VanDerWaalsContact O-CG 3.25Å; R165-E169 WeakPolarHBondContact O-CG 3.47Å; R165-E169 PolarHBondContact O-N 3.47Å; V167-E169 VanDerWaalsContact C-N 3.28Å; V167-E169 PolarHBondContact O-N 2.75Å; E169-K172 VanDerWaalsContact CD-NZ 3.32Å; E169-K172 IonicContact OE1-NZ 3.17Å; E169-K172 PolarHBondContact OE1-NZ 3.4Å; E169-K172 VanDerWaalsContact OE1-NZ 3.13Å; E169-K172 WeakPolarHBondContact OE2-CD 3.34Å; E169-K172 WeakPolarHBondContact OE2-CE 3.42Å; E169-K172 IonicContact OE2-NZ 2.8Å; E169-K172 PolarHBondContact OE2-NZ 2.85Å; E169-R173 WeakPolarHBondContact O-CB 3.48Å; E169-R173 PolarHBondContact O-N 3.09Å; E169-R173 VanDerWaalsContact O-N 3.16Å; E169-V453 HydrophobicContact CB-CB 4.05Å; E169-V453 HydrophobicContact CB-CG2 3.83Å; E169-S454 WeakPolarHBondContact CB-O 3.44Å; E169-S454 VanDerWaalsContact CD-O 3.25Å; E169-S454 WeakPolarHBondContact CG-O 3.45Å; E169-S454 WeakPolarHBondContact O-CB 3.31Å; E169-S454 PolarHBondContact O-N 2.96Å; E169-S454 VanDerWaalsContact OE2-CB 3.28Å; E169-S454 WeakPolarHBondContact OE2-CB 3.38Å; E169-S454 VanDerWaalsContact OE2-O 3.05Å
170N98.9Very high98.2Very high3 Ų320.8 Ų20.82%0.01613%0.126CC..Hα-helixtrans-65-44.1168.9-85.1-93.1000110.8A22 L26 L166 V167 R173 A174 Y423A22-N170 HydrophobicContact CB-CB 3.81Å; L26-N170 HydrophobicContact CD1-CB 4.31Å; L26-N170 WeakPolarHBondContact CD1-OD1 3.42Å; L166-N170 PolarHBondContact O-N 3.26Å; L166-N170 PolarHBondContact O-ND2 2.6Å; V167-N170 WeakPolarHBondContact O-CB 3.48Å; V167-N170 PolarHBondContact O-N 3.18Å; N170-R173 PolarHBondContact O-N 3.16Å; N170-A174 PolarHBondContact O-N 3.21Å; N170-Y423 PolarHBondContact ND2-OH 3.29Å; N170-Y423 WeakPolarHBondContact OD1-CE2 3.38Å; N170-Y423 PolarHBondContact OD1-OH 3.38Å
171I98.9Very high98.3Very high4 Ų417.1 Ų17.12%0.02111%0.113CC..Hα-helixtrans-65.2-45.6179.8-67.6175.1000111.3A22 F43 V167 I168 R173 A174 V175 A181A22-I171 HydrophobicContact CB-CD1 4.28Å; A22-I171 HydrophobicContact CB-CG1 3.7Å; F43-I171 HydrophobicContact CB-CD1 3.62Å; F43-I171 HydrophobicContact CD1-CD1 3.38Å; F43-I171 HydrophobicContact CD2-CD1 3.96Å; F43-I171 HydrophobicContact CD2-CG2 4.28Å; F43-I171 HydrophobicContact CE1-CD1 3.97Å; F43-I171 HydrophobicContact CE2-CD1 4.46Å; F43-I171 HydrophobicContact CE2-CG2 4.03Å; F43-I171 HydrophobicContact CG-CD1 3.37Å; F43-I171 HydrophobicContact CZ-CD1 4.46Å; F43-I171 HydrophobicContact CZ-CG2 4.21Å; V167-I171 HydrophobicContact CG1-CD1 3.81Å; V167-I171 HydrophobicContact CG1-CG1 4.47Å; V167-I171 WeakPolarHBondContact O-CG1 3.31Å; V167-I171 PolarHBondContact O-N 2.84Å; I168-I171 PolarHBondContact O-N 3.06Å; I171-R173 VanDerWaalsContact C-N 3.29Å; I171-R173 PolarHBondContact O-N 3.27Å; I171-A174 WeakPolarHBondContact O-CB 3.42Å; I171-A174 PolarHBondContact O-N 2.87Å; I171-A174 VanDerWaalsContact O-N 3.16Å; I171-V175 HydrophobicContact CG2-CG2 4.34Å; I171-V175 WeakPolarHBondContact O-CG2 3.36Å; I171-V175 PolarHBondContact O-N 3.33Å; I171-A181 HydrophobicContact CG2-CB 3.79Å
172K98.8Very high98.4Very high18 Ų1817.6 Ų17.68%0.07812%0.116CC..Hα-helixtrans-59.1-40.5177.3-74.5161.764-173.80111.7I168 E169 V175 A176 N494 Y520 E525I168-K172 HydrophobicContact CG1-CD 3.99Å; I168-K172 HydrophobicContact CG1-CG 4.37Å; I168-K172 WeakPolarHBondContact O-CB 3.28Å; I168-K172 WeakPolarHBondContact O-CD 3.25Å; I168-K172 VanDerWaalsContact O-CG 3.25Å; I168-K172 WeakPolarHBondContact O-CG 3.47Å; I168-K172 PolarHBondContact O-N 2.85Å; E169-K172 VanDerWaalsContact CD-NZ 3.32Å; E169-K172 IonicContact OE1-NZ 3.17Å; E169-K172 PolarHBondContact OE1-NZ 3.4Å; E169-K172 VanDerWaalsContact OE1-NZ 3.13Å; E169-K172 WeakPolarHBondContact OE2-CD 3.34Å; E169-K172 WeakPolarHBondContact OE2-CE 3.42Å; E169-K172 IonicContact OE2-NZ 2.8Å; E169-K172 PolarHBondContact OE2-NZ 2.85Å; K172-V175 PolarHBondContact O-N 3.4Å; K172-A176 WeakPolarHBondContact O-CB 3.49Å; K172-A176 PolarHBondContact O-N 3.22Å; K172-N494 PolarHBondContact NZ-ND2 2.57Å; K172-Y520 VanDerWaalsContact CE-OH 3.24Å; K172-Y520 WeakPolarHBondContact CE-OH 3.32Å; K172-Y520 PolarHBondContact NZ-OH 2.75Å; K172-E525 HydrophobicContact CD-CG 4.08Å; K172-E525 IonicContact NZ-OE1 2.64Å; K172-E525 PolarHBondContact NZ-OE1 2.79Å
173R98.7Very high98.4Very high49 Ų4917 Ų1719%0.18511%0.113CC..Hα-helixtrans-63.4-50173174.854.468.5-175.61.4111.2L26 E169 N170 I171 V175 A176 D177 Y451 P452 E457L26-R173 HydrophobicContact CD1-CB 3.9Å; L26-R173 HydrophobicContact CD1-CG 3.65Å; L26-R173 HydrophobicContact CG-CB 4.4Å; L26-R173 HydrophobicContact CG-CG 3.85Å; E169-R173 WeakPolarHBondContact O-CB 3.48Å; E169-R173 PolarHBondContact O-N 3.09Å; E169-R173 VanDerWaalsContact O-N 3.16Å; N170-R173 PolarHBondContact O-N 3.16Å; I171-R173 VanDerWaalsContact C-N 3.29Å; I171-R173 PolarHBondContact O-N 3.27Å; R173-V175 VanDerWaalsContact C-N 3.27Å; R173-V175 PolarHBondContact O-N 3.28Å; R173-A176 WeakPolarHBondContact O-CA 3.16Å; R173-A176 WeakPolarHBondContact O-CB 3.36Å; R173-A176 PolarHBondContact O-N 3.24Å; R173-D177 WeakPolarHBondContact CD-OD2 3.39Å; R173-D177 WeakPolarHBondContact CG-OD2 3.18Å; R173-D177 IonicContact NH1-OD1 2.68Å; R173-D177 VanDerWaalsContact O-CG 3.23Å; R173-D177 PolarHBondContact O-N 2.9Å; R173-Y451 HydrophobicContact CG-CD1 4.38Å; R173-Y451 HydrophobicContact CG-CE1 3.85Å; R173-P452 PolarHBondContact NE-O 3.47Å; R173-E457 IonicContact CZ-OE1 3.12Å; R173-E457 IonicContact NH2-OE1 2.96Å; R173-E457 PolarHBondContact NH2-OE1 2.87Å
174A98.8Very high98.4Very high1 Ų118.5 Ų18.51%0.00812%0.119CC..Hα-helixtrans-55.2-42.1177.100000112.5A25 L26 N170 I171 D177 G178 A179A25-A174 HydrophobicContact CB-CB 3.99Å; L26-A174 HydrophobicContact CB-CB 4.3Å; N170-A174 PolarHBondContact O-N 3.21Å; I171-A174 WeakPolarHBondContact O-CB 3.42Å; I171-A174 PolarHBondContact O-N 2.87Å; I171-A174 VanDerWaalsContact O-N 3.16Å; A174-D177 CarbonylContact O-C 3.52Å; A174-D177 PolarHBondContact O-N 3.43Å; A174-G178 PolarHBondContact O-N 3.44Å; A174-A179 HydrophobicContact CB-CB 4.03Å; A174-A179 WeakPolarHBondContact O-CB 3.4Å; A174-A179 PolarHBondContact O-N 2.84Å
175V98.4Very high98.3Very high53 Ų5318.4 Ų18.432%0.32112%0.117SC..Hα-helixtrans-67.3-41.3176.6172.70000111.5I171 K172 R173 D177 G178 A181I171-V175 HydrophobicContact CG2-CG2 4.34Å; I171-V175 WeakPolarHBondContact O-CG2 3.36Å; I171-V175 PolarHBondContact O-N 3.33Å; K172-V175 PolarHBondContact O-N 3.4Å; R173-V175 VanDerWaalsContact C-N 3.27Å; R173-V175 PolarHBondContact O-N 3.28Å; V175-D177 PolarHBondContact O-N 2.91Å; V175-G178 PolarHBondContact O-N 3.25Å; V175-A181 HydrophobicContact CG2-CB 3.79Å
176A98Very high98.3Very high75 Ų7521.8 Ų21.862%0.6213%0.132SC*.Hα-helixtrans-60.6-30.7173.900000112.3K172 R173 G178K172-A176 WeakPolarHBondContact O-CB 3.49Å; K172-A176 PolarHBondContact O-N 3.22Å; R173-A176 WeakPolarHBondContact O-CA 3.16Å; R173-A176 WeakPolarHBondContact O-CB 3.36Å; R173-A176 PolarHBondContact O-N 3.24Å; A176-G178 VanDerWaalsContact C-N 3.31Å
177D98.1Very high98.3Very high45 Ų4522.3 Ų22.324%0.24114%0.135CC..THydrogen-bonded Turntrans-87.32.9176.6-55-29.6000113.1A29 R173 A174 V175 Y451A29-D177 HydrophobicContact CB-CB 3.91Å; R173-D177 WeakPolarHBondContact CD-OD2 3.39Å; R173-D177 WeakPolarHBondContact CG-OD2 3.18Å; R173-D177 IonicContact NH1-OD1 2.68Å; R173-D177 VanDerWaalsContact O-CG 3.23Å; R173-D177 PolarHBondContact O-N 2.9Å; A174-D177 CarbonylContact O-C 3.52Å; A174-D177 PolarHBondContact O-N 3.43Å; V175-D177 PolarHBondContact O-N 2.91Å; D177-Y451 VanDerWaalsContact CG-OH 3.22Å; D177-Y451 PolarHBondContact OD1-OH 2.93Å; D177-Y451 VanDerWaalsContact OD1-OH 3.1Å; D177-Y451 WeakPolarHBondContact OD2-CE1 3.23Å; D177-Y451 PolarHBondContact OD2-OH 3.29Å
178G97Very high98.3Very high53 Ų5325.9 Ų25.955%0.54615%0.152SC..THydrogen-bonded Turntrans107.82.2170.300000116.2A174 V175 A176A174-G178 PolarHBondContact O-N 3.44Å; V175-G178 PolarHBondContact O-N 3.25Å; A176-G178 VanDerWaalsContact C-N 3.31Å
179A98Very high98.3Very high3 Ų328.6 Ų28.63%0.02516%0.164CC..  trans-65.3146.9173.500000112.1A29 V35 A174A29-A179 HydrophobicContact CB-CB 4Å; V35-A179 HydrophobicContact CB-CB 4.01Å; V35-A179 HydrophobicContact CG1-CB 4.22Å; A174-A179 HydrophobicContact CB-CB 4.03Å; A174-A179 WeakPolarHBondContact O-CB 3.4Å; A174-A179 PolarHBondContact O-N 2.84Å
180I98.1Very high98.2Very high22 Ų2228.8 Ų28.811%0.11317%0.165CC..EExtended strand (participates in β ladder)trans-100.294.3168.1-53.7-58000108.3M1 Q4 L5 F10 V35 A36 L37 V182M1-I180 HydrophobicContact CB-CG2 4.19Å; M1-I180 HydrophobicContact CG-CG2 4.34Å; Q4-I180 HydrophobicContact CB-CD1 4.48Å; Q4-I180 HydrophobicContact CB-CG1 4.43Å; L5-I180 HydrophobicContact CD2-CB 4.46Å; L5-I180 HydrophobicContact CD2-CG2 3.86Å; L5-I180 HydrophobicContact CG-CG2 4.19Å; F10-I180 HydrophobicContact CE1-CB 4.35Å; F10-I180 HydrophobicContact CE1-CG1 4.13Å; F10-I180 HydrophobicContact CZ-CG1 4.44Å; V35-I180 PolarHBondContact O-N 2.97Å; A36-I180 CarbonylContact C-O 3.58Å; A36-I180 WeakPolarHBondContact CA-O 3.47Å; L37-I180 PolarHBondContact N-O 2.8Å; I180-V182 HydrophobicContact CG2-CG2 3.91Å
181A98.2Very high98.2Very high2 Ų230.3 Ų30.32%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-95.6127174.300000110.2L37 F43 I171 V175 M526L37-A181 HydrophobicContact CB-CB 4.13Å; L37-A181 HydrophobicContact CD2-CB 4.16Å; L37-A181 WeakPolarHBondContact O-CA 3.26Å; F43-A181 HydrophobicContact CE1-CB 4.45Å; F43-A181 HydrophobicContact CZ-CB 3.9Å; I171-A181 HydrophobicContact CG2-CB 3.79Å; V175-A181 HydrophobicContact CG2-CB 3.79Å; A181-M526 VanDerWaalsContact O-CE 3.3Å; A181-M526 WeakPolarHBondContact O-CE 3.38Å
182V98Very high98.1Very high10 Ų1031.8 Ų31.86%0.06118%0.181CC..EExtended strand (participates in β ladder)trans-133117.7-178.4-166.70000110.1M1 L5 L37 E39 I180 M185M1-V182 HydrophobicContact CB-CG2 3.96Å; M1-V182 HydrophobicContact SD-CG2 4.44Å; L5-V182 HydrophobicContact CD1-CB 4.31Å; L5-V182 HydrophobicContact CD1-CG2 3.79Å; L5-V182 HydrophobicContact CG-CG2 4.31Å; L37-V182 PolarHBondContact O-N 2.92Å; E39-V182 PolarHBondContact N-O 3.04Å; E39-V182 VanDerWaalsContact N-O 3.09Å; I180-V182 HydrophobicContact CG2-CG2 3.91Å; V182-M185 HydrophobicContact CB-CG 3.99Å; V182-M185 HydrophobicContact CG1-CE 4.14Å; V182-M185 HydrophobicContact CG1-CG 3.49Å; V182-M185 VanDerWaalsContact CG1-CG 3.49Å
183S98.3Very high97.9Very high5 Ų534 Ų344%0.03519%0.194CC..SBendtrans-79.7167.7171.276.80000110.9E39 Q41 M185 M526E39-S183 CarbonylContact O-C 3.59Å; E39-S183 VanDerWaalsContact O-C 3.31Å; Q41-S183 WeakPolarHBondContact O-CB 3.24Å; S183-M185 PolarHBondContact O-N 3.13Å; S183-M526 PolarHBondContact N-SD 3.21Å; S183-M526 VanDerWaalsContact N-SD 3.42Å; S183-M526 PolarHBondContact OG-SD 3.21Å; S183-M526 VanDerWaalsContact OG-SD 3.37Å
184R97.8Very high97.7Very high34 Ų3440.2 Ų40.213%0.12823%0.231CC..SBendtrans56.829.7-178.3-49.2-20.4-171.6110.6-10.3112.9E39 Q41 E45 R206 L207 L528 D532E39-R184 CarbonylContact O-C 3.55Å; E39-R184 PolarHBondContact O-N 3.24Å; Q41-R184 WeakPolarHBondContact O-CD 3.44Å; Q41-R184 PolarHBondContact O-N 3.31Å; E45-R184 IonicContact OE2-CZ 2.76Å; E45-R184 IonicContact OE2-NH1 3.5Å; E45-R184 IonicContact OE2-NH2 3.12Å; R184-R206 HydrophobicContact CB-CB 4.09Å; R184-R206 VanDerWaalsContact O-CB 3.24Å; R184-R206 WeakPolarHBondContact O-CB 3.37Å; R184-R206 WeakPolarHBondContact O-CG 3.48Å; R184-R206 PolarHBondContact O-N 3.47Å; R184-L207 HydrophobicContact CB-CD1 4.49Å; R184-L207 HydrophobicContact CB-CD2 4.4Å; R184-L207 HydrophobicContact CB-CG 4.11Å; R184-L207 HydrophobicContact CG-CD2 4.22Å; R184-L207 HydrophobicContact CG-CG 4.38Å; R184-L528 HydrophobicContact CG-CD1 4.29Å; R184-D532 IonicContact CZ-OD1 3.59Å; R184-D532 IonicContact NH2-OD1 2.99Å; R184-D532 PolarHBondContact NH2-OD1 3.49Å; R184-D532 IonicContact NH2-OD2 2.66Å
185M97.8Very high97.5Very high4 Ų448.1 Ų48.12%0.0227%0.268CS..EExtended strand (participates in β ladder)trans-117.699176.5-77.5-69.5173.500110.7I2 L38 E39 V182 S183 V203 D205I2-M185 HydrophobicContact CD1-CE 3.51Å; I2-M185 HydrophobicContact CG1-CE 3.64Å; L38-M185 HydrophobicContact CD2-CB 4.3Å; E39-M185 CarbonylContact C-O 3.56Å; E39-M185 CarbonylContact O-C 3.6Å; E39-M185 PolarHBondContact O-N 3.35Å; V182-M185 HydrophobicContact CB-CG 3.99Å; V182-M185 HydrophobicContact CG1-CE 4.14Å; V182-M185 HydrophobicContact CG1-CG 3.49Å; V182-M185 VanDerWaalsContact CG1-CG 3.49Å; S183-M185 PolarHBondContact O-N 3.13Å; M185-V203 HydrophobicContact SD-CG2 4.32Å; M185-D205 HydrophobicContact CE-CB 3.65Å; M185-D205 HydrophobicContact SD-CB 3.89Å
186K98.3Very high97.3Very high74 Ų7446.8 Ų46.832%0.32226%0.264SS..EExtended strand (participates in β ladder)trans-88.4123.1-177-175.8175.9179.1-178.50111.1M40 V203 K204 R206M40-K186 HydrophobicContact CB-CB 3.74Å; M40-K186 HydrophobicContact CB-CG 3.88Å; M40-K186 HydrophobicContact SD-CD 4.45Å; M40-K186 HydrophobicContact SD-CG 4.45Å; K186-V203 CarbonylContact O-C 3.54Å; K186-V203 VanDerWaalsContact O-CA 3.25Å; K186-V203 WeakPolarHBondContact O-CA 3.29Å; K186-K204 PolarHBondContact N-O 3.22Å; K186-K204 PolarHBondContact O-N 2.98Å; K186-R206 HydrophobicContact CB-CG 4.23Å
187V98.6Very high97.2Very high10 Ų1047.9 Ų47.96%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-68.5129.9166.8178.20000109.7I15 L38 I190 V201 V203 L233I15-V187 HydrophobicContact CD1-CG1 4.23Å; I15-V187 HydrophobicContact CD1-CG2 4.19Å; I15-V187 HydrophobicContact CG1-CG2 4.07Å; I15-V187 HydrophobicContact CG2-CB 4.27Å; I15-V187 HydrophobicContact CG2-CG2 3.86Å; L38-V187 HydrophobicContact CB-CG2 4.47Å; L38-V187 HydrophobicContact CD1-CG2 4.3Å; V187-I190 HydrophobicContact CG1-CD1 4.29Å; V187-V201 HydrophobicContact CG1-CB 3.94Å; V187-V201 HydrophobicContact CG1-CG1 4.01Å; V187-V201 HydrophobicContact CG2-CB 4.37Å; V187-V201 HydrophobicContact CG2-CG2 4.21Å; V187-V203 HydrophobicContact CB-CG1 4.38Å; V187-V203 HydrophobicContact CG2-CG1 3.71Å; V187-L233 HydrophobicContact CG1-CD1 4.09Å; V187-L233 VanDerWaalsContact O-CD1 3.31Å; V187-L233 WeakPolarHBondContact O-CD1 3.37Å
188E98.1Very high97.2Very high75 Ų7546.3 Ų46.335%0.3525%0.247SC..EExtended strand (participates in β ladder)trans-118-15.7-180-63.9-167.9144.300113.2K202 K204E188-K202 PolarHBondContact N-O 3.4Å; E188-K204 HydrophobicContact CG-CB 4.05Å; E188-K204 VanDerWaalsContact OE1-CD 3.28Å; E188-K204 WeakPolarHBondContact OE1-CD 3.37Å
189E98.1Very high97.2Very high60 Ų6045.1 Ų45.128%0.2823%0.231SC..EExtended strand (participates in β ladder)trans-157.4138.1-179.7-175.5163.4-150.100110.9V201 K202 K235E189-V201 CarbonylContact O-C 3.3Å; E189-V201 WeakPolarHBondContact O-CA 3.13Å; E189-K202 HydrophobicContact CB-CB 3.92Å; E189-K202 PolarHBondContact N-O 3.09Å; E189-K202 PolarHBondContact O-N 3.32Å; E189-K235 IonicContact OE1-NZ 3.23Å; E189-K235 PolarHBondContact OE1-NZ 2.89Å; E189-K235 IonicContact OE2-NZ 2.94Å
190I98.4Very high97.2Very high4 Ų445 Ų452%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-84.9128.8165.9-54.5-54.4000107.9I15 V187 V198 V201 L233 D234I15-I190 HydrophobicContact CD1-CD1 3.84Å; V187-I190 HydrophobicContact CG1-CD1 4.29Å; I190-V198 HydrophobicContact CG2-CB 4.4Å; I190-V198 HydrophobicContact CG2-CG1 3.72Å; I190-V198 HydrophobicContact CG2-CG2 3.85Å; I190-V201 HydrophobicContact CD1-CG1 3.85Å; I190-L233 HydrophobicContact CG1-CB 4.34Å; I190-L233 PolarHBondContact N-O 2.99Å; I190-D234 HydrophobicContact CB-CB 3.96Å; I190-D234 HydrophobicContact CG1-CB 3.9Å; I190-D234 HydrophobicContact CG2-CB 4.39Å
191V97Very high97.2Very high36 Ų3644 Ų4422%0.21822%0.224CC..EExtended strand (participates in β ladder)trans-102.5142.1-176.9178.90000109.6S199 G200 T213V191-S199 PolarHBondContact O-N 3.48Å; V191-G200 PolarHBondContact N-O 3.27Å; V191-G200 PolarHBondContact O-N 2.91Å; V191-T213 HydrophobicContact CG2-CG2 4.3Å
192H97.5Very high97.1Very high35 Ų3547.2 Ų47.216%0.16224%0.238CC..EExtended strand (participates in β ladder)trans-120.7153179.5-53.979.5000111.8G196 K197 S199 D234 K236 D410H192-G196 PolarHBondContact CD2-O 3.39Å; H192-K197 CarbonylContact C-O 3.46Å; H192-K197 WeakPolarHBondContact CA-O 3.34Å; H192-K197 WeakPolarHBondContact CB-O 3.37Å; H192-S199 VanDerWaalsContact C-OG 3.3Å; H192-D234 IonicContact CE1-OD1 3.52Å; H192-D234 PolarHBondContact CE1-OD1 3.34Å; H192-D234 IonicContact NE2-OD1 2.77Å; H192-D234 PolarHBondContact NE2-OD1 3.45Å; H192-K236 WeakPolarHBondContact CE1-CG 3.44Å; H192-K236 WeakPolarHBondContact ND1-CG 3.26Å; H192-D410 IonicContact CD2-OD2 2.75Å; H192-D410 IonicContact CE1-OD2 3.52Å; H192-D410 IonicContact NE2-OD2 3.74Å; H192-D410 PolarHBondContact NE2-OD2 3.44Å
193D95.4Very high97.1Very high63 Ų6346.7 Ų46.734%0.33724%0.235SC..  trans-77.6-179.9170.171.19.9000112.4Q195 G196 K197 S199D193-Q195 PolarHBondContact O-N 3.29Å; D193-Q195 VanDerWaalsContact O-N 3.16Å; D193-Q195 VanDerWaalsContact OD1-CA 3.28Å; D193-Q195 WeakPolarHBondContact OD1-CA 3.45Å; D193-Q195 WeakPolarHBondContact OD1-CB 3.4Å; D193-Q195 PolarHBondContact OD1-N 2.94Å; D193-G196 PolarHBondContact O-N 3Å; D193-G196 PolarHBondContact OD1-N 2.95Å; D193-K197 PolarHBondContact N-O 3.28Å; D193-K197 PolarHBondContact OD1-N 3.39Å; D193-S199 PolarHBondContact N-OG 3.29Å
194D94.2Very high97.1Very high180 Ų18049 Ų4996%0.96324%0.244SC*.THydrogen-bonded Turntrans-63.9-16.9178.1-67.9-25.4000113.4
195Q93.8Very high97.1Very high168 Ų16847.7 Ų47.779%0.78524%0.24SC*.THydrogen-bonded Turntrans-89.9-3.4175.5-55.8-174.35.700112.4D193D193-Q195 PolarHBondContact O-N 3.29Å; D193-Q195 VanDerWaalsContact O-N 3.16Å; D193-Q195 VanDerWaalsContact OD1-CA 3.28Å; D193-Q195 WeakPolarHBondContact OD1-CA 3.45Å; D193-Q195 WeakPolarHBondContact OD1-CB 3.4Å; D193-Q195 PolarHBondContact OD1-N 2.94Å
196G94.8Very high97Very high24 Ų2454.3 Ų54.325%0.24727%0.265CS..SBendtrans77.818.7-177.300000113.7H192 D193H192-G196 PolarHBondContact CD2-O 3.39Å; D193-G196 PolarHBondContact O-N 3Å; D193-G196 PolarHBondContact OD1-N 2.95Å
197K96.6Very high96.7Very high98 Ų9855.3 Ų55.343%0.42627%0.273SS..  trans-94145.4173.9-65.8-62.3-176.5177.10110.7H192 D193 S199 D409 D410H192-K197 CarbonylContact C-O 3.46Å; H192-K197 WeakPolarHBondContact CA-O 3.34Å; H192-K197 WeakPolarHBondContact CB-O 3.37Å; D193-K197 PolarHBondContact N-O 3.28Å; D193-K197 PolarHBondContact OD1-N 3.39Å; K197-S199 PolarHBondContact O-N 3.46Å; K197-D409 PolarHBondContact NZ-O 2.93Å; K197-D410 WeakPolarHBondContact CA-O 3.29Å; K197-D410 VanDerWaalsContact CD-O 3.24Å; K197-D410 WeakPolarHBondContact CD-O 3.5Å
198V97.6Very high96.5Very high13 Ų1358.3 Ų58.38%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-59.2129177.7-179.90000109.8I190 V219 D410 L412I190-V198 HydrophobicContact CG2-CB 4.4Å; I190-V198 HydrophobicContact CG2-CG1 3.72Å; I190-V198 HydrophobicContact CG2-CG2 3.85Å; V198-V219 HydrophobicContact CG1-CB 3.76Å; V198-V219 HydrophobicContact CG1-CG2 3.45Å; V198-V219 VanDerWaalsContact CG1-CG2 3.45Å; V198-D410 HydrophobicContact CG2-CB 4.17Å; V198-D410 VanDerWaalsContact CG2-CG 3.42Å; V198-D410 WeakPolarHBondContact CG2-OD2 3.24Å; V198-D410 PolarHBondContact N-O 3.27Å; V198-L412 HydrophobicContact CG2-CB 4.03Å
199S96.7Very high96.3Very high28 Ų2859.8 Ų59.820%0.19630%0.302CS..EExtended strand (participates in β ladder)trans-132.14.5-175.371.40000113.6V191 H192 D193 K197 N215 S216V191-S199 PolarHBondContact O-N 3.48Å; H192-S199 VanDerWaalsContact C-OG 3.3Å; D193-S199 PolarHBondContact N-OG 3.29Å; K197-S199 PolarHBondContact O-N 3.46Å; S199-N215 WeakPolarHBondContact O-CA 3.35Å; S199-S216 CarbonylContact C-O 3.56Å; S199-S216 VanDerWaalsContact C-O 3.3Å; S199-S216 PolarHBondContact O-N 2.88Å; S199-S216 VanDerWaalsContact O-O 3.06Å
200G97.4Very high96.2Very high0 Ų061.9 Ų61.90%032%0.315CS..EExtended strand (participates in β ladder)trans156.1-164.3-179.900000113.4V191 V214V191-G200 PolarHBondContact N-O 3.27Å; V191-G200 PolarHBondContact O-N 2.91Å; G200-V214 CarbonylContact C-O 3.6Å; G200-V214 WeakPolarHBondContact CA-O 3.33Å
201V98.2Very high96.1Very high0 Ų065.2 Ų65.20%034%0.336CS..EExtended strand (participates in β ladder)trans-141.6152.4179.6-63.10000111.5I13 I15 L38 V187 E189 I190 V203 T213 V214 V219I13-V201 HydrophobicContact CD1-CG2 4.09Å; I13-V201 HydrophobicContact CG2-CG1 4.5Å; I13-V201 HydrophobicContact CG2-CG2 4.1Å; I15-V201 HydrophobicContact CD1-CG1 4.05Å; L38-V201 HydrophobicContact CD1-CG2 3.77Å; V187-V201 HydrophobicContact CG1-CB 3.94Å; V187-V201 HydrophobicContact CG1-CG1 4.01Å; V187-V201 HydrophobicContact CG2-CB 4.37Å; V187-V201 HydrophobicContact CG2-CG2 4.21Å; E189-V201 CarbonylContact O-C 3.3Å; E189-V201 WeakPolarHBondContact O-CA 3.13Å; I190-V201 HydrophobicContact CD1-CG1 3.85Å; V201-V203 HydrophobicContact CG2-CG1 3.73Å; V201-T213 WeakPolarHBondContact O-CA 3.43Å; V201-V214 HydrophobicContact CG2-CB 4.29Å; V201-V214 PolarHBondContact N-O 3.2Å; V201-V214 PolarHBondContact O-N 2.9Å; V201-V219 HydrophobicContact CG1-CG1 4.01Å; V201-V219 HydrophobicContact CG1-CG2 4.43Å
202K97.8Very high96.1Very high70 Ų7064.3 Ų64.330%0.30433%0.329SS..EExtended strand (participates in β ladder)trans-94.8128.4162.7-166.4-178.9176.9-177.10108.9E188 E189 L212E188-K202 PolarHBondContact N-O 3.4Å; E189-K202 HydrophobicContact CB-CB 3.92Å; E189-K202 PolarHBondContact N-O 3.09Å; E189-K202 PolarHBondContact O-N 3.32Å; K202-L212 WeakPolarHBondContact CA-O 3.27Å
203V97.9Very high96Very high0 Ų065.7 Ų65.70%034%0.34CS..EExtended strand (participates in β ladder)trans-121.4149.3179.5-60.30000111.9L38 M185 K186 V187 V201 T211 L212 V214L38-V203 HydrophobicContact CD1-CG1 3.66Å; M185-V203 HydrophobicContact SD-CG2 4.32Å; K186-V203 CarbonylContact O-C 3.54Å; K186-V203 VanDerWaalsContact O-CA 3.25Å; K186-V203 WeakPolarHBondContact O-CA 3.29Å; V187-V203 HydrophobicContact CB-CG1 4.38Å; V187-V203 HydrophobicContact CG2-CG1 3.71Å; V201-V203 HydrophobicContact CG2-CG1 3.73Å; V203-T211 CarbonylContact O-C 3.52Å; V203-T211 VanDerWaalsContact O-CA 3.24Å; V203-T211 WeakPolarHBondContact O-CA 3.33Å; V203-L212 HydrophobicContact CG2-CD1 4.25Å; V203-L212 HydrophobicContact CG2-CD2 3.82Å; V203-L212 HydrophobicContact CG2-CG 3.66Å; V203-L212 PolarHBondContact N-O 3.27Å; V203-L212 PolarHBondContact O-N 3.37Å; V203-V214 HydrophobicContact CG2-CG2 3.99Å
204K98Very high96.1Very high52 Ų5262.7 Ų62.723%0.22632%0.324CS..EExtended strand (participates in β ladder)trans-111.5123172.7-175.6175.8180-170.60109.9K186 E188 R206 D209 T211K186-K204 PolarHBondContact N-O 3.22Å; K186-K204 PolarHBondContact O-N 2.98Å; E188-K204 HydrophobicContact CG-CB 4.05Å; E188-K204 VanDerWaalsContact OE1-CD 3.28Å; E188-K204 WeakPolarHBondContact OE1-CD 3.37Å; K204-R206 PolarHBondContact O-N 3.5Å; K204-D209 WeakPolarHBondContact CE-OD1 3.43Å; K204-D209 IonicContact NZ-OD1 3.34Å; K204-D209 PolarHBondContact NZ-OD1 3.43Å; K204-T211 HydrophobicContact CB-CG2 4.22Å; K204-T211 HydrophobicContact CG-CG2 4.22Å
205D97.2Very high96.2Very high7 Ų758 Ų584%0.03730%0.299CS..EExtended strand (participates in β ladder)trans-68.9117.3168.2-179.8-18.2000108.8M185 L207 T208 D209 N210M185-D205 HydrophobicContact CE-CB 3.65Å; M185-D205 HydrophobicContact SD-CB 3.89Å; D205-L207 VanDerWaalsContact C-N 3.28Å; D205-L207 PolarHBondContact O-N 3.41Å; D205-L207 WeakPolarHBondContact OD1-CA 3.4Å; D205-L207 WeakPolarHBondContact OD1-CB 3.16Å; D205-L207 PolarHBondContact OD1-N 3.24Å; D205-T208 PolarHBondContact OD1-N 2.88Å; D205-T208 VanDerWaalsContact OD1-N 3.12Å; D205-T208 WeakPolarHBondContact OD2-CG2 3.48Å; D205-T208 PolarHBondContact OD2-OG1 3.25Å; D205-D209 WeakPolarHBondContact O-CA 3.45Å; D205-D209 PolarHBondContact O-N 3.48Å; D205-N210 WeakPolarHBondContact CB-O 3.37Å; D205-N210 PolarHBondContact N-O 2.96Å
206R95.5Very high96.4Very high144 Ų14450.6 Ų50.654%0.54327%0.266SS..THydrogen-bonded Turntrans-78.7-11-177.2-65.7-76.3-58.5-156.6-2.9113.3R184 K186 K204R184-R206 HydrophobicContact CB-CB 4.09Å; R184-R206 VanDerWaalsContact O-CB 3.24Å; R184-R206 WeakPolarHBondContact O-CB 3.37Å; R184-R206 WeakPolarHBondContact O-CG 3.48Å; R184-R206 PolarHBondContact O-N 3.47Å; K186-R206 HydrophobicContact CB-CG 4.23Å; K204-R206 PolarHBondContact O-N 3.5Å
207L92.9Very high96.5Very high95 Ų9555 Ų5550%0.49728%0.279SS..THydrogen-bonded Turntrans-93-36.9176.7-57.2176.9000111.5R184 D205 L528R184-L207 HydrophobicContact CB-CD1 4.49Å; R184-L207 HydrophobicContact CB-CD2 4.4Å; R184-L207 HydrophobicContact CB-CG 4.11Å; R184-L207 HydrophobicContact CG-CD2 4.22Å; R184-L207 HydrophobicContact CG-CG 4.38Å; D205-L207 VanDerWaalsContact C-N 3.28Å; D205-L207 PolarHBondContact O-N 3.41Å; D205-L207 WeakPolarHBondContact OD1-CA 3.4Å; D205-L207 WeakPolarHBondContact OD1-CB 3.16Å; D205-L207 PolarHBondContact OD1-N 3.24Å; L207-L528 HydrophobicContact CD1-CD1 3.91Å
208T93.4Very high96.6Very high73 Ų7351.4 Ų51.445%0.44826%0.264SS..THydrogen-bonded Turntrans-111-4.7-17671.70000114.9D205 N210D205-T208 PolarHBondContact OD1-N 2.88Å; D205-T208 VanDerWaalsContact OD1-N 3.12Å; D205-T208 WeakPolarHBondContact OD2-CG2 3.48Å; D205-T208 PolarHBondContact OD2-OG1 3.25Å; T208-N210 WeakPolarHBondContact CB-ND2 3.44Å; T208-N210 PolarHBondContact O-N 2.86Å; T208-N210 WeakPolarHBondContact OG1-CB 3.46Å; T208-N210 PolarHBondContact OG1-ND2 2.87Å
209D94.5Very high96.6Very high106 Ų10650.9 Ų50.957%0.56726%0.26SS*.  trans59.54.8-172.5-78-54.6000115.4K204 D205K204-D209 WeakPolarHBondContact CE-OD1 3.43Å; K204-D209 IonicContact NZ-OD1 3.34Å; K204-D209 PolarHBondContact NZ-OD1 3.43Å; D205-D209 WeakPolarHBondContact O-CA 3.45Å; D205-D209 PolarHBondContact O-N 3.48Å
210N95.9Very high96.7Very high103 Ų10349.5 Ų49.555%0.55125%0.251SS*.  trans-72143.8177.6-70.3-50.9000111.6D205 T208D205-N210 WeakPolarHBondContact CB-O 3.37Å; D205-N210 PolarHBondContact N-O 2.96Å; T208-N210 WeakPolarHBondContact CB-ND2 3.44Å; T208-N210 PolarHBondContact O-N 2.86Å; T208-N210 WeakPolarHBondContact OG1-CB 3.46Å; T208-N210 PolarHBondContact OG1-ND2 2.87Å
211T96.5Very high96.8Very high75 Ų7549.5 Ų49.546%0.4625%0.251SS..EExtended strand (participates in β ladder)trans-107.8142.2173.163.60000111.2V203 K204V203-T211 CarbonylContact O-C 3.52Å; V203-T211 VanDerWaalsContact O-CA 3.24Å; V203-T211 WeakPolarHBondContact O-CA 3.33Å; K204-T211 HydrophobicContact CB-CG2 4.22Å; K204-T211 HydrophobicContact CG-CG2 4.22Å
212L95.8Very high96.8Very high16 Ų1649.7 Ų49.78%0.08425%0.252CS..EExtended strand (participates in β ladder)trans-139161.9170.164.4140.1000110.9I2 L5 K6 K202 V203 V214I2-L212 HydrophobicContact CG2-CD2 4.37Å; L5-L212 HydrophobicContact CB-CD1 3.95Å; K6-L212 HydrophobicContact CG-CB 4.29Å; K6-L212 HydrophobicContact CG-CD1 3.66Å; K202-L212 WeakPolarHBondContact CA-O 3.27Å; V203-L212 HydrophobicContact CG2-CD1 4.25Å; V203-L212 HydrophobicContact CG2-CD2 3.82Å; V203-L212 HydrophobicContact CG2-CG 3.66Å; V203-L212 PolarHBondContact N-O 3.27Å; V203-L212 PolarHBondContact O-N 3.37Å; L212-V214 HydrophobicContact CD1-CG2 3.73Å; L212-V214 HydrophobicContact CG-CG2 4.44Å
213T96.6Very high96.8Very high65 Ų6547.1 Ų47.140%0.39924%0.244SC..EExtended strand (participates in β ladder)trans-101.4133.5169.7-58.30000108.7V191 V201V191-T213 HydrophobicContact CG2-CG2 4.3Å; V201-T213 WeakPolarHBondContact O-CA 3.43Å
214V97.4Very high96.7Very high0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans-114.6123.8174.4-172.70000107.2L5 F10 I13 G200 V201 V203 L212L5-V214 HydrophobicContact CB-CG2 4.07Å; L5-V214 HydrophobicContact CD2-CG1 4.36Å; F10-V214 HydrophobicContact CD2-CG1 3.78Å; F10-V214 HydrophobicContact CE2-CG1 3.79Å; I13-V214 HydrophobicContact CD1-CB 3.99Å; I13-V214 HydrophobicContact CD1-CG1 3.64Å; I13-V214 WeakPolarHBondContact CD1-O 3.38Å; I13-V214 HydrophobicContact CG1-CG1 4.17Å; G200-V214 CarbonylContact C-O 3.6Å; G200-V214 WeakPolarHBondContact CA-O 3.33Å; V201-V214 HydrophobicContact CG2-CB 4.29Å; V201-V214 PolarHBondContact N-O 3.2Å; V201-V214 PolarHBondContact O-N 2.9Å; V203-V214 HydrophobicContact CG2-CG2 3.99Å; L212-V214 HydrophobicContact CD1-CG2 3.73Å; L212-V214 HydrophobicContact CG-CG2 4.44Å
215N96.8Very high96.6Very high81 Ų8145.7 Ų45.743%0.43324%0.243SC..EExtended strand (participates in β ladder)trans-99.4145.4-175.9-57.7-54.9000110.9F10 S199F10-N215 PolarHBondContact N-O 3.16Å; S199-N215 WeakPolarHBondContact O-CA 3.35Å
216S97.1Very high96.6Very high13 Ų1346.9 Ų46.99%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-152.5165.117363.10000113.4F10 I13 S199 L218 V219F10-S216 CarbonylContact O-C 3.6Å; F10-S216 WeakPolarHBondContact O-CA 3.37Å; F10-S216 VanDerWaalsContact O-CB 3.32Å; F10-S216 WeakPolarHBondContact O-CB 3.27Å; I13-S216 VanDerWaalsContact CD1-OG 3.26Å; I13-S216 WeakPolarHBondContact CD1-OG 3.37Å; I13-S216 WeakPolarHBondContact CG1-OG 3.48Å; S199-S216 CarbonylContact C-O 3.56Å; S199-S216 VanDerWaalsContact C-O 3.3Å; S199-S216 PolarHBondContact O-N 2.88Å; S199-S216 VanDerWaalsContact O-O 3.06Å; S216-L218 WeakPolarHBondContact CB-O 3.4Å; S216-L218 PolarHBondContact OG-O 3.3Å; S216-V219 WeakPolarHBondContact OG-CG2 3.38Å
217K96.7Very high96.7Very high117 Ų11740 Ų4051%0.50922%0.221SC..EExtended strand (participates in β ladder)trans-72-40.2170.4-62.6175.9-175.4161.80111.9F10 D11 L438F10-K217 PolarHBondContact O-N 2.96Å; D11-K217 WeakPolarHBondContact OD1-CE 3.34Å; D11-K217 IonicContact OD1-NZ 2.81Å; D11-K217 PolarHBondContact OD1-NZ 3.05Å; K217-L438 HydrophobicContact CB-CD2 3.83Å; K217-L438 HydrophobicContact CD-CD2 3.72Å; K217-L438 HydrophobicContact CG-CD2 4.47Å
218L97.9Very high96.8Very high22 Ų2236.4 Ų36.412%0.11520%0.202CC..EExtended strand (participates in β ladder)trans-132.1152178.9-62.5176.3000110.9D11 L12 I13 S216 L413 I434 L437 L438D11-L218 PolarHBondContact O-N 2.95Å; L12-L218 WeakPolarHBondContact CA-O 3.08Å; L12-L218 HydrophobicContact CD1-CB 3.95Å; I13-L218 PolarHBondContact N-O 3.01Å; S216-L218 WeakPolarHBondContact CB-O 3.4Å; S216-L218 PolarHBondContact OG-O 3.3Å; L218-L413 HydrophobicContact CB-CD1 4.15Å; L218-L413 HydrophobicContact CD2-CD1 4.24Å; L218-I434 HydrophobicContact CD1-CG2 4.06Å; L218-L437 HydrophobicContact CD1-CB 3.93Å; L218-L437 HydrophobicContact CD1-CD1 4.49Å; L218-L437 HydrophobicContact CD2-CB 4.27Å; L218-L437 HydrophobicContact CD2-CD1 4.38Å; L218-L438 HydrophobicContact CD1-CD1 4.48Å; L218-L438 HydrophobicContact CD1-CD2 3.79Å; L218-L438 HydrophobicContact CD1-CG 3.73Å; L218-L438 HydrophobicContact CG-CD2 4.02Å; L218-L438 HydrophobicContact CG-CG 4.5Å
219V98.5Very high96.9Very high1 Ų136.7 Ų36.71%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-129.8131.5173.2-178.30000108.1I13 I15 V198 V201 S216 L412 L413I13-V219 HydrophobicContact CB-CG1 4.46Å; I13-V219 HydrophobicContact CB-CG2 4.25Å; I13-V219 HydrophobicContact CG2-CG1 4.32Å; I13-V219 CarbonylContact O-C 3.58Å; I13-V219 WeakPolarHBondContact O-CA 3.24Å; I15-V219 HydrophobicContact CD1-CG1 3.72Å; I15-V219 HydrophobicContact CG1-CG1 4.09Å; V198-V219 HydrophobicContact CG1-CB 3.76Å; V198-V219 HydrophobicContact CG1-CG2 3.45Å; V198-V219 VanDerWaalsContact CG1-CG2 3.45Å; V201-V219 HydrophobicContact CG1-CG1 4.01Å; V201-V219 HydrophobicContact CG1-CG2 4.43Å; S216-V219 WeakPolarHBondContact OG-CG2 3.38Å; V219-L412 HydrophobicContact CB-CD1 4.03Å; V219-L412 HydrophobicContact CG1-CD1 3.83Å; V219-L413 WeakPolarHBondContact O-CD1 3.32Å; V219-L413 PolarHBondContact O-N 2.73Å
220I98.8Very high97.1Very high0 Ų032.2 Ų32.20%018%0.177CC..EExtended strand (participates in β ladder)trans-119.2125.9174.7-171.6170.7000111.1L12 I13 I14 I15 V24 T222 L413 L415 A430 I434L12-I220 HydrophobicContact CD1-CB 4.35Å; L12-I220 HydrophobicContact CD1-CG2 3.89Å; L12-I220 HydrophobicContact CD2-CG2 4.42Å; L12-I220 HydrophobicContact CG-CG2 4.31Å; I13-I220 PolarHBondContact O-N 3.45Å; I14-I220 HydrophobicContact CB-CG2 4.12Å; I14-I220 HydrophobicContact CG1-CG2 3.67Å; I14-I220 HydrophobicContact CG2-CG2 4.24Å; I15-I220 PolarHBondContact N-O 2.95Å; V24-I220 HydrophobicContact CG1-CG2 4.39Å; I220-T222 HydrophobicContact CD1-CG2 4.23Å; I220-T222 HydrophobicContact CG1-CG2 4Å; I220-T222 HydrophobicContact CG2-CG2 4.41Å; I220-L413 CarbonylContact C-O 3.5Å; I220-L413 WeakPolarHBondContact CA-O 3.31Å; I220-L413 HydrophobicContact CB-CB 3.91Å; I220-L413 HydrophobicContact CD1-CB 4.23Å; I220-L413 HydrophobicContact CG1-CB 3.74Å; I220-L415 HydrophobicContact CD1-CB 4.12Å; I220-L415 HydrophobicContact CG1-CB 4.47Å; I220-A430 HydrophobicContact CD1-CB 3.99Å; I220-I434 HydrophobicContact CD1-CD1 4.32Å
221N98.5Very high97.1Very high0 Ų027.4 Ų27.40%015%0.152CC..EExtended strand (participates in β ladder)trans-85.1115.1171.6178.68.8000109.8A223 S227 V230 N231 L413 I414 L415N221-A223 WeakPolarHBondContact OD1-CB 3.04Å; N221-A223 PolarHBondContact OD1-N 3.14Å; N221-S227 PolarHBondContact ND2-O 3.03Å; N221-V230 HydrophobicContact CB-CG1 4.21Å; N221-N231 PolarHBondContact ND2-OD1 3.44Å; N221-L413 PolarHBondContact N-O 2.82Å; N221-I414 HydrophobicContact CB-CG1 4.44Å; N221-L415 PolarHBondContact O-N 2.84Å
222T98.5Very high97.1Very high4 Ų430.3 Ų30.33%0.02516%0.158CC..  trans-123.626.3176.261.70000111.5I14 I15 G16 T20 G21 V24 I220 G224 L415I14-T222 HydrophobicContact CG2-CG2 4.22Å; I14-T222 WeakPolarHBondContact CG2-OG1 3.37Å; I15-T222 CarbonylContact O-C 3.47Å; I15-T222 VanDerWaalsContact O-C 3.31Å; I15-T222 WeakPolarHBondContact O-CA 3.42Å; I15-T222 PolarHBondContact O-N 3.41Å; I15-T222 PolarHBondContact O-OG1 3.32Å; G16-T222 PolarHBondContact O-OG1 3.5Å; T20-T222 HydrophobicContact CG2-CG2 4.1Å; G21-T222 WeakPolarHBondContact CA-OG1 3.4Å; V24-T222 HydrophobicContact CG2-CG2 4.46Å; I220-T222 HydrophobicContact CD1-CG2 4.23Å; I220-T222 HydrophobicContact CG1-CG2 4Å; I220-T222 HydrophobicContact CG2-CG2 4.41Å; T222-G224 PolarHBondContact O-N 3.42Å; T222-L415 HydrophobicContact CG2-CB 4.26Å; T222-L415 HydrophobicContact CG2-CD2 4.4Å
223A97.9Very high97.1Very high15 Ų1531.7 Ų31.712%0.12417%0.165CC..  trans-75.920.2-16700000115.1I15 N221 W226 V230I15-A223 PolarHBondContact O-N 2.7Å; N221-A223 WeakPolarHBondContact OD1-CB 3.04Å; N221-A223 PolarHBondContact OD1-N 3.14Å; A223-W226 HydrophobicContact CB-CB 3.99Å; A223-W226 WeakPolarHBondContact O-CA 3.44Å; A223-W226 WeakPolarHBondContact O-CB 3.01Å; A223-W226 PolarHBondContact O-N 3.11Å; A223-V230 HydrophobicContact CB-CB 4.42Å; A223-V230 HydrophobicContact CB-CG2 3.62Å
224G96.5Very high97.1Very high18 Ų1828.8 Ų28.819%0.18615%0.147CC..G310 helixtrans52.8-12717700000112.4T222 W226 S227T222-G224 PolarHBondContact O-N 3.42Å; G224-W226 PolarHBondContact O-N 3.11Å; G224-W226 VanDerWaalsContact O-N 3.16Å; G224-S227 WeakPolarHBondContact O-CB 3.24Å; G224-S227 PolarHBondContact O-N 3.33Å
225P96Very high97Very high4 Ų436.1 Ų36.13%0.02618%0.179CC..G310 helixtrans-65.9-16.4179.827.7-32.5000113S227 P245 Y298 L336P225-S227 VanDerWaalsContact C-N 3.28Å; P225-S227 PolarHBondContact O-N 3.16Å; P225-P245 HydrophobicContact CB-CB 4.07Å; P225-P245 HydrophobicContact CB-CG 3.88Å; P225-Y298 HydrophobicContact CB-CD2 4.27Å; P225-Y298 HydrophobicContact CB-CE2 4.38Å; P225-Y298 VanDerWaalsContact O-CE2 3.26Å; P225-Y298 WeakPolarHBondContact O-CE2 3.35Å; P225-L336 HydrophobicContact CB-CB 4.15Å; P225-L336 HydrophobicContact CG-CB 4.08Å
226W97.5Very high96.7Very high32 Ų3239.1 Ų39.112%0.12119%0.188CC..G310 helixtrans-81.52.1172.8-65.9-103.7000113.7M40 A223 G224 D228 L229 V230 Y298 N299M40-W226 HydrophobicContact CE-CZ2 4.26Å; A223-W226 HydrophobicContact CB-CB 3.99Å; A223-W226 WeakPolarHBondContact O-CA 3.44Å; A223-W226 WeakPolarHBondContact O-CB 3.01Å; A223-W226 PolarHBondContact O-N 3.11Å; G224-W226 PolarHBondContact O-N 3.11Å; G224-W226 VanDerWaalsContact O-N 3.16Å; W226-D228 VanDerWaalsContact C-N 3.34Å; W226-D228 PolarHBondContact O-N 3.1Å; W226-L229 HydrophobicContact CB-CB 4.47Å; W226-L229 HydrophobicContact CG-CD1 4.32Å; W226-L229 WeakPolarHBondContact O-CA 3.28Å; W226-L229 WeakPolarHBondContact O-CB 3.43Å; W226-L229 PolarHBondContact O-N 3.29Å; W226-V230 PolarHBondContact O-N 2.74Å; W226-Y298 VanDerWaalsContact CH2-O 3.24Å; W226-Y298 WeakPolarHBondContact CH2-O 3.3Å; W226-Y298 WeakPolarHBondContact CZ2-O 3.32Å; W226-N299 WeakPolarHBondContact CZ2-OD1 3.25Å; W226-N299 PolarHBondContact NE1-OD1 2.92Å
227S96.5Very high96.4Very high1 Ų140.4 Ų40.41%0.00719%0.194CC..Hα-helixtrans-47.7-52.7-176.3179.80000112.5N221 G224 P225 L229 V230 N231 H242N221-S227 PolarHBondContact ND2-O 3.03Å; G224-S227 WeakPolarHBondContact O-CB 3.24Å; G224-S227 PolarHBondContact O-N 3.33Å; P225-S227 VanDerWaalsContact C-N 3.28Å; P225-S227 PolarHBondContact O-N 3.16Å; S227-L229 VanDerWaalsContact C-N 3.31Å; S227-L229 PolarHBondContact O-N 3.36Å; S227-V230 PolarHBondContact O-N 3.11Å; S227-N231 PolarHBondContact O-N 3.39Å; S227-N231 PolarHBondContact O-ND2 3.36Å; S227-N231 PolarHBondContact O-OD1 2.76Å; S227-H242 PolarHBondContact OG-CE1 2.8Å; S227-H242 PolarHBondContact OG-NE2 2.86Å
228D95.4Very high96.1Very high18 Ų1842.3 Ų42.310%0.09621%0.209CC..Hα-helixtrans-67.2-27.2178.3-76.9-26.6000113.9W226 K232 P241 H242 M243W226-D228 VanDerWaalsContact C-N 3.34Å; W226-D228 PolarHBondContact O-N 3.1Å; D228-K232 VanDerWaalsContact O-CG 3.29Å; D228-K232 WeakPolarHBondContact O-CG 3.36Å; D228-K232 PolarHBondContact O-N 3.42Å; D228-P241 WeakPolarHBondContact OD1-CA 3.18Å; D228-P241 WeakPolarHBondContact OD2-CA 3.49Å; D228-P241 WeakPolarHBondContact OD2-CB 3.45Å; D228-H242 IonicContact OD1-CE1 3.8Å; D228-H242 PolarHBondContact OD1-CE1 2.8Å; D228-H242 IonicContact OD1-CG 3Å; D228-H242 PolarHBondContact OD1-N 2.88Å; D228-H242 IonicContact OD1-ND1 3.71Å; D228-H242 PolarHBondContact OD1-ND1 2.66Å; D228-H242 PolarHBondContact OD2-N 2.73Å; D228-M243 HydrophobicContact CB-CG 4.43Å; D228-M243 WeakPolarHBondContact OD2-CB 3.39Å; D228-M243 PolarHBondContact OD2-N 2.67Å
229L96.3Very high95.7Very high79 Ų7942.5 Ų42.541%0.41421%0.209SC..Hα-helixtrans-72.6-36.9175.3-61.7178.8000111.2W226 S227 Y298W226-L229 HydrophobicContact CB-CB 4.47Å; W226-L229 HydrophobicContact CG-CD1 4.32Å; W226-L229 WeakPolarHBondContact O-CA 3.28Å; W226-L229 WeakPolarHBondContact O-CB 3.43Å; W226-L229 PolarHBondContact O-N 3.29Å; S227-L229 VanDerWaalsContact C-N 3.31Å; S227-L229 PolarHBondContact O-N 3.36Å; L229-Y298 HydrophobicContact CD1-CD2 4.11Å; L229-Y298 HydrophobicContact CD1-CE2 4.45Å
230V97.2Very high95.2Very high13 Ų1351.3 Ų51.38%0.07925%0.248CC..Hα-helixtrans-70.4-41.9173.6172.60000110.9I15 N221 A223 W226 S227 K232 L233I15-V230 HydrophobicContact CD1-CG1 3.9Å; I15-V230 HydrophobicContact CG2-CG1 4.15Å; I15-V230 HydrophobicContact CG2-CG2 4.26Å; N221-V230 HydrophobicContact CB-CG1 4.21Å; A223-V230 HydrophobicContact CB-CB 4.42Å; A223-V230 HydrophobicContact CB-CG2 3.62Å; W226-V230 PolarHBondContact O-N 2.74Å; S227-V230 PolarHBondContact O-N 3.11Å; V230-K232 PolarHBondContact O-N 3.1Å; V230-L233 WeakPolarHBondContact O-CB 3.24Å; V230-L233 WeakPolarHBondContact O-CG 3.42Å; V230-L233 PolarHBondContact O-N 2.73Å
231N96.4Very high94.7Very high2 Ų255.5 Ų55.51%0.01128%0.275CS..Hα-helixtrans-58.2-36.6176.8-68.1-14.3000112N221 S227 L233 D234 H239N221-N231 PolarHBondContact ND2-OD1 3.44Å; S227-N231 PolarHBondContact O-N 3.39Å; S227-N231 PolarHBondContact O-ND2 3.36Å; S227-N231 PolarHBondContact O-OD1 2.76Å; N231-L233 PolarHBondContact O-N 2.92Å; N231-D234 WeakPolarHBondContact O-CB 3.44Å; N231-D234 PolarHBondContact O-N 3.16Å; N231-D234 VanDerWaalsContact O-N 3.11Å; N231-H239 HydrophobicContact CB-CB 3.79Å; N231-H239 PolarHBondContact O-CD2 3.41Å; N231-H239 VanDerWaalsContact O-CD2 3.27Å
232K96.4Very high94.2Very high135 Ų13557.1 Ų57.159%0.58728%0.282SS*.THydrogen-bonded Turntrans-66.5-13.4174.7-72.9169.7-174.3175.10114.6D228 V230 D234D228-K232 VanDerWaalsContact O-CG 3.29Å; D228-K232 WeakPolarHBondContact O-CG 3.36Å; D228-K232 PolarHBondContact O-N 3.42Å; V230-K232 PolarHBondContact O-N 3.1Å; K232-D234 VanDerWaalsContact C-N 3.25Å
233L97.2Very high93.8Very high45 Ų4557.9 Ų57.924%0.23629%0.286CS..THydrogen-bonded Turntrans-77.4-16.6174.3-53.4179.2000111.9V187 I190 V230 N231 K235V187-L233 HydrophobicContact CG1-CD1 4.09Å; V187-L233 VanDerWaalsContact O-CD1 3.31Å; V187-L233 WeakPolarHBondContact O-CD1 3.37Å; I190-L233 HydrophobicContact CG1-CB 4.34Å; I190-L233 PolarHBondContact N-O 2.99Å; V230-L233 WeakPolarHBondContact O-CB 3.24Å; V230-L233 WeakPolarHBondContact O-CG 3.42Å; V230-L233 PolarHBondContact O-N 2.73Å; N231-L233 PolarHBondContact O-N 2.92Å; L233-K235 PolarHBondContact O-N 3Å
234D96.7Very high93.5Very high4 Ų461.9 Ų61.92%0.02130%0.298CS..  trans-79112.6165.4173.415.3000109.7I190 H192 N231 K232 K236 I237 H239I190-D234 HydrophobicContact CB-CB 3.96Å; I190-D234 HydrophobicContact CG1-CB 3.9Å; I190-D234 HydrophobicContact CG2-CB 4.39Å; H192-D234 IonicContact CE1-OD1 3.52Å; H192-D234 PolarHBondContact CE1-OD1 3.34Å; H192-D234 IonicContact NE2-OD1 2.77Å; H192-D234 PolarHBondContact NE2-OD1 3.45Å; N231-D234 WeakPolarHBondContact O-CB 3.44Å; N231-D234 PolarHBondContact O-N 3.16Å; N231-D234 VanDerWaalsContact O-N 3.11Å; K232-D234 VanDerWaalsContact C-N 3.25Å; D234-K236 WeakPolarHBondContact OD1-CB 3.47Å; D234-K236 PolarHBondContact OD1-N 3.03Å; D234-I237 WeakPolarHBondContact OD2-CB 3Å; D234-H239 IonicContact OD2-CD2 3.88Å; D234-H239 IonicContact OD2-CE1 2.75Å; D234-H239 IonicContact OD2-NE2 2.73Å; D234-H239 PolarHBondContact OD2-NE2 3.45Å
235K93.6Very high93.2Very high154 Ų15461.4 Ų61.467%0.6729%0.291SS*.SBendtrans-89.2-3.1-179-60.6173.6-171.5156.10113.1E189 L233E189-K235 IonicContact OE1-NZ 3.23Å; E189-K235 PolarHBondContact OE1-NZ 2.89Å; E189-K235 IonicContact OE2-NZ 2.94Å; L233-K235 PolarHBondContact O-N 3Å
236K91.3Very high93.1Very high144 Ų14461.2 Ų61.263%0.62629%0.291SS*.SBendtrans-90-33-179.5-67.3-68.3-172.7167.40112.2H192 D234H192-K236 WeakPolarHBondContact CE1-CG 3.44Å; H192-K236 WeakPolarHBondContact ND1-CG 3.26Å; D234-K236 WeakPolarHBondContact OD1-CB 3.47Å; D234-K236 PolarHBondContact OD1-N 3.03Å
237I90.1Very high92.9Very high41 Ų4159.8 Ų59.821%0.2129%0.285CS..SBendtrans-117.4135.8-179.3-59.9-174.8000110.4D234 H239 A408 D409 D410D234-I237 WeakPolarHBondContact OD2-CB 3Å; I237-H239 PolarHBondContact O-CD2 3.4Å; I237-H239 PolarHBondContact O-N 3.21Å; I237-A408 HydrophobicContact CD1-CB 4.03Å; I237-D409 HydrophobicContact CD1-CB 3.84Å; I237-D410 HydrophobicContact CD1-CB 3.55Å; I237-D410 VanDerWaalsContact CD1-N 3.29Å; I237-D410 WeakPolarHBondContact CD1-OD1 3.43Å; I237-D410 HydrophobicContact CG1-CB 4.23Å
238D90.4Very high92.9Very high157 Ų15759.9 Ų59.984%0.8429%0.286SS*.  trans-85.387.8167.6-172.723.3000109.4K240D238-K240 PolarHBondContact O-N 3.1Å
239H90.4Very high93Very high25 Ų2559 Ų5912%0.11628%0.282CS..PPolyproline II helixtrans-67.9125.1-179.9-67.1-94.6000110.5N231 D234 I237 P241 A408N231-H239 HydrophobicContact CB-CB 3.79Å; N231-H239 PolarHBondContact O-CD2 3.41Å; N231-H239 VanDerWaalsContact O-CD2 3.27Å; D234-H239 IonicContact OD2-CD2 3.88Å; D234-H239 IonicContact OD2-CE1 2.75Å; D234-H239 IonicContact OD2-NE2 2.73Å; D234-H239 PolarHBondContact OD2-NE2 3.45Å; I237-H239 PolarHBondContact O-CD2 3.4Å; I237-H239 PolarHBondContact O-N 3.21Å; H239-P241 WeakPolarHBondContact O-CD 3.18Å; H239-A408 VanDerWaalsContact CE1-CB 3.46Å; H239-A408 WeakPolarHBondContact CE1-CB 3.31Å
240K88.4Confident93.1Very high186 Ų18655.4 Ų55.481%0.80926%0.263SS*.PPolyproline II helixtrans-68.3126.2173.4-69.1-175.8-178.6176.70109.4D238 H242D238-K240 PolarHBondContact O-N 3.1Å; K240-H242 PolarHBondContact O-N 3.21Å
241P87.9Confident93.2Very high89 Ų8954.8 Ų54.858%0.57826%0.259SS*.PPolyproline II helixtrans-57.2134.9174.4-24.434000110.9D228 H239D228-P241 WeakPolarHBondContact OD1-CA 3.18Å; D228-P241 WeakPolarHBondContact OD2-CA 3.49Å; D228-P241 WeakPolarHBondContact OD2-CB 3.45Å; H239-P241 WeakPolarHBondContact O-CD 3.18Å
242H87.8Confident93.3Very high33 Ų3354.7 Ų54.715%0.15326%0.258CS..  trans-127.6-6.5-179.364.6-69.1000112.6S227 D228 K240 I340 S341 S416S227-H242 PolarHBondContact OG-CE1 2.8Å; S227-H242 PolarHBondContact OG-NE2 2.86Å; D228-H242 IonicContact OD1-CE1 3.8Å; D228-H242 PolarHBondContact OD1-CE1 2.8Å; D228-H242 IonicContact OD1-CG 3Å; D228-H242 PolarHBondContact OD1-N 2.88Å; D228-H242 IonicContact OD1-ND1 3.71Å; D228-H242 PolarHBondContact OD1-ND1 2.66Å; D228-H242 PolarHBondContact OD2-N 2.73Å; K240-H242 PolarHBondContact O-N 3.21Å; H242-I340 CarbonylContact O-C 3.48Å; H242-I340 WeakPolarHBondContact O-CA 3.37Å; H242-S341 WeakPolarHBondContact O-CB 3.47Å; H242-S341 PolarHBondContact O-N 2.81Å; H242-S341 PolarHBondContact O-OG 2.79Å; H242-S416 PolarHBondContact CD2-OG 3.35Å; H242-S416 VanDerWaalsContact NE2-CB 3.27Å; H242-S416 WeakPolarHBondContact NE2-CB 3.3Å; H242-S416 PolarHBondContact NE2-OG 2.78Å
243M90.6Very high93.4Very high21 Ų2148.3 Ų48.310%0.10323%0.23CC..BIsolated β-bridgetrans-92.6142.7-178.7-57.7-57.8-64.400112.3D228 P245 P338 L339D228-M243 HydrophobicContact CB-CG 4.43Å; D228-M243 WeakPolarHBondContact OD2-CB 3.39Å; D228-M243 PolarHBondContact OD2-N 2.67Å; M243-P245 HydrophobicContact CB-CG 4.41Å; M243-P338 VanDerWaalsContact CE-CA 3.5Å; M243-P338 HydrophobicContact CE-CB 3.54Å; M243-P338 WeakPolarHBondContact CE-O 3.28Å; M243-L339 CarbonylContact C-O 3.57Å; M243-L339 WeakPolarHBondContact CA-O 3.39Å
244R90.3Very high93.4Very high99 Ų9948 Ų4837%0.37423%0.229SC..  trans-131.578.5167.9-176.7-174.2165-120.24.1110.3T246 D293 L339R244-T246 PolarHBondContact O-N 3.11Å; R244-D293 IonicContact CZ-OD1 2.68Å; R244-D293 IonicContact CZ-OD2 3.66Å; R244-D293 IonicContact NE-OD1 2.61Å; R244-D293 PolarHBondContact NE-OD1 3.14Å; R244-D293 IonicContact NE-OD2 3.86Å; R244-D293 IonicContact NH2-OD1 2.71Å; R244-D293 PolarHBondContact NH2-OD1 2.79Å; R244-D293 IonicContact NH2-OD2 2.81Å; R244-D293 PolarHBondContact NH2-OD2 3.43Å; R244-L339 PolarHBondContact N-O 3.44Å; R244-L339 WeakPolarHBondContact O-CB 3.34Å
245P91.9Very high93.4Very high7 Ų748.4 Ų48.45%0.04524%0.235CC..  trans-66.6136-176.4-23.436.6000113.4P225 M243 Y294 Y298 L336 R337P225-P245 HydrophobicContact CB-CB 4.07Å; P225-P245 HydrophobicContact CB-CG 3.88Å; M243-P245 HydrophobicContact CB-CG 4.41Å; P245-Y294 PolarHBondContact O-N 3.12Å; P245-Y298 HydrophobicContact CG-CE2 3.85Å; P245-L336 HydrophobicContact CB-CB 4.3Å; P245-R337 WeakPolarHBondContact CA-O 3.45Å
246T92.5Very high93.5Very high1 Ų147.5 Ų47.51%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-115142.6171.471.70000111.2R244 D291 T292 L336 R337 L339R244-T246 PolarHBondContact O-N 3.11Å; T246-D291 VanDerWaalsContact CB-OD1 3.24Å; T246-D291 WeakPolarHBondContact CB-OD1 3.46Å; T246-D291 PolarHBondContact OG1-OD1 3.35Å; T246-T292 CarbonylContact C-O 3.51Å; T246-T292 VanDerWaalsContact CA-O 3.27Å; T246-T292 WeakPolarHBondContact CA-O 3.34Å; T246-T292 WeakPolarHBondContact CB-O 3.46Å; T246-L336 CarbonylContact O-C 3.54Å; T246-L336 WeakPolarHBondContact O-CA 3.37Å; T246-R337 PolarHBondContact N-O 2.84Å; T246-R337 PolarHBondContact O-N 3.47Å; T246-R337 PolarHBondContact OG1-NH1 2.97Å; T246-L339 HydrophobicContact CG2-CD1 3.57Å; T246-L339 HydrophobicContact CG2-CG 4.44Å
247K94.6Very high93.8Very high2 Ų244.6 Ų44.61%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-81.2137.1177.3-172.1178.670.81660110.3V249 D291 T292 Y294 T302 E304 D307 A334 G335 L336 R337K247-V249 HydrophobicContact CG-CG2 4.47Å; K247-D291 WeakPolarHBondContact O-CA 3.49Å; K247-T292 PolarHBondContact N-O 3.41Å; K247-T292 PolarHBondContact O-N 3Å; K247-T292 VanDerWaalsContact O-N 3.1Å; K247-Y294 HydrophobicContact CB-CD2 3.97Å; K247-Y294 HydrophobicContact CB-CG 4.35Å; K247-Y294 HydrophobicContact CD-CD2 3.93Å; K247-Y294 HydrophobicContact CD-CE2 4.09Å; K247-Y294 HydrophobicContact CG-CD2 4.39Å; K247-T302 WeakPolarHBondContact CD-O 3.44Å; K247-T302 PolarHBondContact NZ-O 2.86Å; K247-E304 IonicContact NZ-OE1 2.95Å; K247-E304 PolarHBondContact NZ-OE1 2.56Å; K247-D307 VanDerWaalsContact CE-OD2 3.27Å; K247-D307 WeakPolarHBondContact CE-OD2 3.5Å; K247-D307 IonicContact NZ-OD2 3.61Å; K247-D307 PolarHBondContact NZ-OD2 2.61Å; K247-A334 HydrophobicContact CD-CB 4.33Å; K247-A334 HydrophobicContact CG-CB 4.32Å; K247-G335 CarbonylContact C-O 3.56Å; K247-G335 WeakPolarHBondContact CA-O 3.19Å; K247-L336 HydrophobicContact CB-CD2 3.99Å; K247-L336 HydrophobicContact CG-CD2 4.34Å; K247-R337 PolarHBondContact O-NH1 3.4Å
248G95.1Very high94.2Very high3 Ų342.7 Ų42.73%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-130.4130.7169.700000110.7T289 T290 A334 G335G248-T289 WeakPolarHBondContact CA-OG1 3.37Å; G248-T290 WeakPolarHBondContact CA-O 3.12Å; G248-A334 WeakPolarHBondContact O-CA 3.18Å; G248-G335 PolarHBondContact N-O 2.82Å; G248-G335 PolarHBondContact O-N 2.98Å
249V98Very high94.5Very high0 Ų039.9 Ų39.90%019%0.191CC..EExtended strand (participates in β ladder)trans-110.3150.2-179.7173.20000111.1K247 L251 T289 T290 V303 D307 L311 W333 A334K247-V249 HydrophobicContact CG-CG2 4.47Å; V249-L251 HydrophobicContact CG1-CD2 4.04Å; V249-T289 PolarHBondContact N-OG1 2.84Å; V249-T289 VanDerWaalsContact O-CA 3.24Å; V249-T289 WeakPolarHBondContact O-CA 3.19Å; V249-T289 PolarHBondContact O-OG1 3.08Å; V249-T290 HydrophobicContact CB-CG2 4.19Å; V249-T290 WeakPolarHBondContact CB-OG1 3.45Å; V249-T290 PolarHBondContact N-OG1 3.4Å; V249-T290 PolarHBondContact O-N 3.41Å; V249-V303 HydrophobicContact CG1-CB 4.35Å; V249-V303 HydrophobicContact CG1-CG1 3.88Å; V249-V303 HydrophobicContact CG1-CG2 3.67Å; V249-V303 HydrophobicContact CG2-CG2 4.08Å; V249-D307 HydrophobicContact CB-CB 4.09Å; V249-D307 HydrophobicContact CG1-CB 4.21Å; V249-D307 HydrophobicContact CG2-CB 3.87Å; V249-L311 HydrophobicContact CG1-CD1 4.21Å; V249-W333 WeakPolarHBondContact CA-O 3.5Å; V249-A334 HydrophobicContact CG2-CB 3.89Å
250H98.7Very high94.8Very high3 Ų339.2 Ų39.21%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-133.2147.4167.6-5875000109.8T52 F287 T289 A332 W333T52-H250 VanDerWaalsContact CA-NE2 3.31Å; T52-H250 WeakPolarHBondContact CA-NE2 3.49Å; T52-H250 WeakPolarHBondContact CB-NE2 3.29Å; T52-H250 PolarHBondContact OG1-NE2 3.17Å; H250-F287 WeakPolarHBondContact CA-O 3.42Å; H250-T289 PolarHBondContact CE1-OG1 2.94Å; H250-A332 VanDerWaalsContact O-CA 3.28Å; H250-A332 WeakPolarHBondContact O-CA 3.34Å; H250-W333 HydrophobicContact CB-CD2 3.83Å; H250-W333 VanDerWaalsContact CB-CE2 3.4Å; H250-W333 HydrophobicContact CB-CE3 4.05Å; H250-W333 HydrophobicContact CB-CH2 3.55Å; H250-W333 HydrophobicContact CB-CZ2 3.27Å; H250-W333 HydrophobicContact CB-CZ3 3.92Å; H250-W333 AromaticContact CD2-CZ2 3.76Å; H250-W333 AromaticContact CE1-NE1 3.86Å; H250-W333 AromaticContact CG-CE2 3.5Å; H250-W333 VanDerWaalsContact CG-CE2 3.5Å; H250-W333 AromaticContact CG-CZ2 3.29Å; H250-W333 AromaticContact CG-NE1 3.66Å; H250-W333 PolarHBondContact N-O 3.23Å; H250-W333 AromaticContact ND1-CD1 3.95Å; H250-W333 AromaticContact ND1-CE2 3.5Å; H250-W333 AromaticContact ND1-CZ2 3.7Å; H250-W333 AromaticContact ND1-NE1 3.11Å; H250-W333 PolarHBondContact ND1-NE1 2.82Å; H250-W333 VanDerWaalsContact ND1-NE1 3.11Å; H250-W333 PolarHBondContact O-N 3.44Å; H250-W333 VanDerWaalsContact O-N 3.13Å
251L98.7Very high95.2Very high0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-122.3147.3178.7-55.1178.6000109.6V249 Y286 F287 V303 V308 L311 I329 A332 L586V249-L251 HydrophobicContact CG1-CD2 4.04Å; L251-Y286 CarbonylContact O-C 3.41Å; L251-Y286 WeakPolarHBondContact O-CA 3.41Å; L251-Y286 WeakPolarHBondContact O-CB 3.14Å; L251-F287 HydrophobicContact CB-CD2 4.28Å; L251-F287 HydrophobicContact CB-CE1 4.38Å; L251-F287 HydrophobicContact CB-CE2 3.77Å; L251-F287 HydrophobicContact CB-CZ 3.81Å; L251-F287 HydrophobicContact CD1-CE2 3.81Å; L251-F287 HydrophobicContact CD1-CZ 4.2Å; L251-F287 HydrophobicContact CG-CE2 4.23Å; L251-F287 PolarHBondContact N-O 3.16Å; L251-F287 PolarHBondContact O-N 2.87Å; L251-V303 HydrophobicContact CD2-CG1 4.43Å; L251-V308 HydrophobicContact CD1-CG1 4.34Å; L251-V308 HydrophobicContact CD1-CG2 4.48Å; L251-V308 HydrophobicContact CD2-CG2 4.37Å; L251-L311 HydrophobicContact CD1-CB 3.98Å; L251-L311 HydrophobicContact CD1-CD1 3.99Å; L251-L311 HydrophobicContact CG-CD1 3.83Å; L251-I329 HydrophobicContact CB-CD1 3.95Å; L251-I329 HydrophobicContact CB-CG2 4.37Å; L251-I329 HydrophobicContact CD1-CD1 4.06Å; L251-I329 HydrophobicContact CD1-CG1 4.42Å; L251-I329 HydrophobicContact CD2-CG2 4.3Å; L251-A332 HydrophobicContact CD2-CB 3.68Å; L251-L586 HydrophobicContact CD2-CD1 4Å
252V98.7Very high95.6Very high0 Ų031.3 Ų31.30%015%0.153CC..EExtended strand (participates in β ladder)trans-120.9134.8-179.1-170.60000109.2K284 I329 E330 A331 W333 F543V252-K284 HydrophobicContact CG1-CB 3.7Å; V252-K284 HydrophobicContact CG1-CG 4.21Å; V252-I329 CarbonylContact O-C 3.16Å; V252-I329 WeakPolarHBondContact O-CA 3.39Å; V252-E330 PolarHBondContact O-N 2.68Å; V252-A331 HydrophobicContact CB-CB 3.9Å; V252-A331 WeakPolarHBondContact CB-O 3.49Å; V252-A331 HydrophobicContact CG2-CB 3.86Å; V252-A331 WeakPolarHBondContact CG2-O 3.12Å; V252-A331 PolarHBondContact N-O 2.75Å; V252-W333 HydrophobicContact CG2-CE3 4.34Å; V252-W333 HydrophobicContact CG2-CZ3 3.67Å; V252-F543 HydrophobicContact CG1-CD1 4.3Å; V252-F543 HydrophobicContact CG1-CE1 4.48Å; V252-F543 HydrophobicContact CG2-CE1 4.17Å
253V98.4Very high96.1Very high0 Ų029.8 Ų29.80%015%0.147CC..EExtended strand (participates in β ladder)trans-126.8165173.5-62.90000110.3G255 L258 T285 F287 L324 D328 I329V253-G255 PolarHBondContact O-N 3.1Å; V253-L258 HydrophobicContact CG2-CB 3.92Å; V253-L258 HydrophobicContact CG2-CD2 4.41Å; V253-T285 WeakPolarHBondContact CG2-O 3.49Å; V253-T285 PolarHBondContact N-O 3.05Å; V253-T285 PolarHBondContact O-N 3.12Å; V253-F287 HydrophobicContact CG1-CE1 3.81Å; V253-F287 HydrophobicContact CG1-CZ 4.31Å; V253-F287 HydrophobicContact CG2-CE1 4.06Å; V253-L324 HydrophobicContact CG1-CD1 4.32Å; V253-L324 HydrophobicContact CG1-CD2 4.36Å; V253-L324 HydrophobicContact CG2-CD1 4.41Å; V253-D328 HydrophobicContact CG1-CB 4.42Å; V253-I329 HydrophobicContact CG1-CD1 3.59Å
254D97.5Very high96.4Very high39 Ų3928.8 Ų28.821%0.20914%0.142CC..EExtended strand (participates in β ladder)trans-59.4133.6170.5-164-87.2000111.4E256 K257 L258 K284 E330D254-E256 PolarHBondContact O-N 3.42Å; D254-E256 WeakPolarHBondContact OD1-CA 3.42Å; D254-E256 WeakPolarHBondContact OD1-CB 3.13Å; D254-E256 PolarHBondContact OD1-N 3.37Å; D254-K257 HydrophobicContact CB-CG 4.37Å; D254-K257 PolarHBondContact O-N 2.81Å; D254-L258 PolarHBondContact O-N 2.99Å; D254-K284 IonicContact OD2-NZ 2.93Å; D254-K284 PolarHBondContact OD2-NZ 2.93Å; D254-E330 WeakPolarHBondContact CB-OE1 3.27Å
255G97.1Very high96.7Very high13 Ų1324.8 Ų24.813%0.13413%0.127CC..THydrogen-bonded Turntrans-63.1-23.7-179.500000113.1V253 K257 L258 K259 S283V253-G255 PolarHBondContact O-N 3.1Å; G255-K257 VanDerWaalsContact C-N 3.31Å; G255-K257 PolarHBondContact O-N 3.19Å; G255-L258 CarbonylContact O-C 3.55Å; G255-L258 VanDerWaalsContact O-C 3.32Å; G255-K259 WeakPolarHBondContact O-CG 3.33Å; G255-K259 PolarHBondContact O-N 3.06Å; G255-S283 WeakPolarHBondContact CA-O 3.45Å; G255-S283 PolarHBondContact N-O 2.91Å
256E96Very high96.9Very high134 Ų13424.5 Ų24.563%0.62613%0.125SC*.THydrogen-bonded Turntrans-73.3-22.3175.2-67.4-64.8128.500113.2D254 K259D254-E256 PolarHBondContact O-N 3.42Å; D254-E256 WeakPolarHBondContact OD1-CA 3.42Å; D254-E256 WeakPolarHBondContact OD1-CB 3.13Å; D254-E256 PolarHBondContact OD1-N 3.37Å; E256-K259 WeakPolarHBondContact O-CE 3.49Å; E256-K259 WeakPolarHBondContact OE2-CE 2.94Å; E256-K259 IonicContact OE2-NZ 3.92Å; E256-K259 PolarHBondContact OE2-NZ 3.42Å
257K97.2Very high96.9Very high84 Ų8425.2 Ų25.237%0.36513%0.128SC..THydrogen-bonded Turntrans-79.2-51.7174.8-67.2-178-177174.90110.7Q144 D254 G255 V322 L324 D328Q144-K257 PolarHBondContact NE2-O 2.95Å; D254-K257 HydrophobicContact CB-CG 4.37Å; D254-K257 PolarHBondContact O-N 2.81Å; G255-K257 VanDerWaalsContact C-N 3.31Å; G255-K257 PolarHBondContact O-N 3.19Å; K257-V322 VanDerWaalsContact O-CG1 3.31Å; K257-V322 WeakPolarHBondContact O-CG1 3.46Å; K257-L324 HydrophobicContact CB-CD2 4.16Å; K257-D328 HydrophobicContact CD-CB 4.07Å; K257-D328 WeakPolarHBondContact CE-OD1 3.44Å; K257-D328 IonicContact NZ-OD1 3.97Å; K257-D328 PolarHBondContact NZ-OD1 3.14Å
258L98Very high96.8Very high0 Ų025.2 Ų25.20%013%0.129CC..SBendtrans-115.494.5178.4-178.260.4000110.1V253 D254 G255 V260 V278 T285 F287 V315 Y319 V322 L324V253-L258 HydrophobicContact CG2-CB 3.92Å; V253-L258 HydrophobicContact CG2-CD2 4.41Å; D254-L258 PolarHBondContact O-N 2.99Å; G255-L258 CarbonylContact O-C 3.55Å; G255-L258 VanDerWaalsContact O-C 3.32Å; L258-V260 PolarHBondContact O-N 3.06Å; L258-V278 HydrophobicContact CD2-CG1 3.59Å; L258-V278 HydrophobicContact CG-CG1 4.16Å; L258-T285 HydrophobicContact CB-CG2 4.37Å; L258-T285 HydrophobicContact CD2-CG2 3.77Å; L258-T285 HydrophobicContact CG-CG2 3.94Å; L258-T285 WeakPolarHBondContact O-CB 3.32Å; L258-T285 PolarHBondContact O-OG1 3.37Å; L258-F287 HydrophobicContact CD2-CD1 4.2Å; L258-V315 HydrophobicContact CD2-CG1 3.89Å; L258-Y319 HydrophobicContact CD1-CD1 3.64Å; L258-Y319 HydrophobicContact CD1-CD2 3.86Å; L258-Y319 HydrophobicContact CD1-CE1 4.04Å; L258-Y319 HydrophobicContact CD1-CE2 4.24Å; L258-Y319 HydrophobicContact CD1-CG 3.55Å; L258-V322 HydrophobicContact CD1-CG2 4.21Å; L258-L324 HydrophobicContact CB-CD1 4.49Å; L258-L324 HydrophobicContact CD2-CD1 4.18Å
259K97.2Very high96.6Very high99 Ų9926.3 Ų26.343%0.4314%0.14SC..  trans-89.7100-174.3-66.5-178.6178.4-164.20110.3G255 E256G255-K259 WeakPolarHBondContact O-CG 3.33Å; G255-K259 PolarHBondContact O-N 3.06Å; E256-K259 WeakPolarHBondContact O-CE 3.49Å; E256-K259 WeakPolarHBondContact OE2-CE 2.94Å; E256-K259 IonicContact OE2-NZ 3.92Å; E256-K259 PolarHBondContact OE2-NZ 3.42Å
260V96.9Very high96.1Very high11 Ų1129.2 Ų29.27%0.06715%0.153CC..  trans-117.2126.2169-65.30000109.1L258 Q262 V278 P280 T285 Y319L258-V260 PolarHBondContact O-N 3.06Å; V260-Q262 VanDerWaalsContact C-N 3.3Å; V260-V278 HydrophobicContact CG1-CG1 3.8Å; V260-V278 HydrophobicContact CG2-CG1 3.99Å; V260-P280 HydrophobicContact CG2-CB 4.17Å; V260-P280 HydrophobicContact CG2-CG 4.25Å; V260-P280 WeakPolarHBondContact O-CB 2.95Å; V260-T285 HydrophobicContact CG2-CG2 3.62Å; V260-Y319 HydrophobicContact CG1-CE1 4.16Å
261P95.7Very high95.3Very high81 Ų8134.6 Ų34.653%0.52618%0.182SC..SBendtrans-79.6-15.8-178.131.7-34.3000113R141 E142R141-P261 HydrophobicContact CB-CG 4.43Å; R141-P261 WeakPolarHBondContact O-CG 3.27Å; E142-P261 HydrophobicContact CG-CG 4.47Å
262Q96.4Very high94.7Very high28 Ų2837.2 Ų37.213%0.13120%0.196CC..SBendtrans-153.8166.9-177.160.4-174.1106.700109.7P92 I94 V260 P280P92-Q262 PolarHBondContact O-NE2 3.26Å; I94-Q262 HydrophobicContact CD1-CG 3.72Å; I94-Q262 HydrophobicContact CG1-CG 3.74Å; V260-Q262 VanDerWaalsContact C-N 3.3Å; Q262-P280 VanDerWaalsContact C-CD 3.46Å; Q262-P280 WeakPolarHBondContact O-CD 3.5Å
263P97.8Very high93.8Very high1 Ų138.8 Ų38.81%0.00621%0.213CC..  trans-58.9137.9176.3-23.833.1000112D91 M93 I94 I279D91-P263 HydrophobicContact CB-CG 4.09Å; D91-P263 VanDerWaalsContact CG-CD 3.48Å; D91-P263 WeakPolarHBondContact OD1-CD 3.4Å; M93-P263 CarbonylContact C-O 3.56Å; M93-P263 VanDerWaalsContact CA-O 3.22Å; M93-P263 WeakPolarHBondContact CA-O 3.41Å; M93-P263 HydrophobicContact CB-CB 4.28Å; M93-P263 HydrophobicContact CE-CB 4.06Å; M93-P263 HydrophobicContact CG-CB 4.06Å; M93-P263 WeakPolarHBondContact CG-O 3.37Å; I94-P263 PolarHBondContact N-O 2.84Å; P263-I279 HydrophobicContact CB-CG1 4.34Å; P263-I279 HydrophobicContact CB-CG2 4.41Å; P263-I279 HydrophobicContact CG-CG2 4.24Å
264T98Very high93.2Very high0 Ų039.9 Ų39.90%022%0.216CC..EExtended strand (participates in β ladder)trans-131.3132.5-179.2-730000111I94 P96 E142 F266 F277 V278 Y319I94-T264 WeakPolarHBondContact O-CA 3.44Å; P96-T264 HydrophobicContact CG-CG2 4.19Å; E142-T264 WeakPolarHBondContact OE1-CB 3.34Å; E142-T264 PolarHBondContact OE1-OG1 2.94Å; T264-F266 HydrophobicContact CG2-CD1 3.84Å; T264-F266 HydrophobicContact CG2-CE1 4.16Å; T264-F277 CarbonylContact O-C 3.58Å; T264-F277 WeakPolarHBondContact O-CA 3.39Å; T264-V278 PolarHBondContact N-O 3.37Å; T264-V278 PolarHBondContact O-N 2.94Å; T264-Y319 WeakPolarHBondContact CG2-OH 3.4Å
265Y96.8Very high92.9Very high15 Ų1538 Ų386%0.05921%0.207CC..EExtended strand (participates in β ladder)trans-132.3121.2-171.8-176.1-135.9000111.8M93 I94 L95 P96 M275 V276 F277M93-Y265 WeakPolarHBondContact SD-CB 3.48Å; M93-Y265 HydrophobicContact SD-CD1 4.31Å; M93-Y265 HydrophobicContact SD-CG 4.11Å; I94-Y265 PolarHBondContact O-N 3.32Å; L95-Y265 WeakPolarHBondContact CA-O 3.39Å; L95-Y265 HydrophobicContact CD1-CD1 4.45Å; L95-Y265 WeakPolarHBondContact CG-O 3.3Å; P96-Y265 WeakPolarHBondContact CD-O 3.25Å; Y265-M275 HydrophobicContact CD1-CE 3.49Å; Y265-M275 VanDerWaalsContact CD1-CE 3.49Å; Y265-M275 HydrophobicContact CD1-SD 4.19Å; Y265-M275 HydrophobicContact CD2-CB 3.95Å; Y265-M275 HydrophobicContact CD2-CE 4.23Å; Y265-M275 HydrophobicContact CE1-CB 4.23Å; Y265-M275 HydrophobicContact CE1-CE 3.41Å; Y265-M275 VanDerWaalsContact CE1-CE 3.41Å; Y265-M275 HydrophobicContact CE1-SD 3.46Å; Y265-M275 WeakPolarHBondContact CE1-SD 3.46Å; Y265-M275 HydrophobicContact CE2-CB 3.17Å; Y265-M275 HydrophobicContact CE2-CE 4.19Å; Y265-M275 HydrophobicContact CE2-CG 4.24Å; Y265-M275 HydrophobicContact CE2-SD 4.21Å; Y265-M275 HydrophobicContact CG-CE 3.91Å; Y265-M275 WeakPolarHBondContact OH-CB 3.38Å; Y265-V276 WeakPolarHBondContact CD2-O 3.5Å; Y265-F277 AromaticContact CD1-CE1 3.96Å; Y265-F277 HydrophobicContact CD1-CE1 3.96Å; Y265-F277 HydrophobicContact CD1-CZ 4.26Å; Y265-F277 AromaticContact CD2-CD1 3.4Å; Y265-F277 HydrophobicContact CD2-CD1 3.4Å; Y265-F277 AromaticContact CD2-CD2 3.89Å; Y265-F277 HydrophobicContact CD2-CD2 3.89Å; Y265-F277 AromaticContact CD2-CE1 3.28Å; Y265-F277 HydrophobicContact CD2-CE1 3.28Å; Y265-F277 AromaticContact CD2-CE2 3.8Å; Y265-F277 HydrophobicContact CD2-CE2 3.8Å; Y265-F277 AromaticContact CD2-CG 3.7Å; Y265-F277 HydrophobicContact CD2-CG 3.7Å; Y265-F277 AromaticContact CD2-CZ 3.51Å; Y265-F277 HydrophobicContact CD2-CZ 3.51Å; Y265-F277 HydrophobicContact CE1-CE1 4.29Å; Y265-F277 HydrophobicContact CE1-CZ 4.12Å; Y265-F277 HydrophobicContact CE2-CD1 4.06Å; Y265-F277 AromaticContact CE2-CD2 3.83Å; Y265-F277 HydrophobicContact CE2-CD2 3.83Å; Y265-F277 AromaticContact CE2-CE1 3.65Å; Y265-F277 HydrophobicContact CE2-CE1 3.65Å; Y265-F277 AromaticContact CE2-CE2 3.41Å; Y265-F277 HydrophobicContact CE2-CE2 3.41Å; Y265-F277 VanDerWaalsContact CE2-CE2 3.41Å; Y265-F277 HydrophobicContact CE2-CG 4.14Å; Y265-F277 AromaticContact CE2-CZ 3.31Å; Y265-F277 HydrophobicContact CE2-CZ 3.31Å; Y265-F277 AromaticContact CG-CD1 3.75Å; Y265-F277 HydrophobicContact CG-CD1 3.75Å; Y265-F277 AromaticContact CG-CE1 3.45Å; Y265-F277 HydrophobicContact CG-CE1 3.45Å; Y265-F277 VanDerWaalsContact CG-CE1 3.45Å; Y265-F277 HydrophobicContact CG-CG 4.49Å; Y265-F277 AromaticContact CG-CZ 3.98Å; Y265-F277 HydrophobicContact CG-CZ 3.98Å; Y265-F277 AromaticContact CZ-CZ 3.65Å
266F95.2Very high92.8Very high1 Ų137.4 Ų37.40%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-145.3158.4-171.950.8-95.7000113P96 T264 M275 V276 V278 I314 R318 Y319P96-F266 HydrophobicContact CG-CB 4.13Å; T264-F266 HydrophobicContact CG2-CD1 3.84Å; T264-F266 HydrophobicContact CG2-CE1 4.16Å; F266-M275 CarbonylContact O-C 3.47Å; F266-M275 WeakPolarHBondContact O-CA 3.49Å; F266-M275 VanDerWaalsContact O-CB 3.32Å; F266-M275 WeakPolarHBondContact O-CB 3.37Å; F266-V276 HydrophobicContact CE2-CB 4.25Å; F266-V276 HydrophobicContact CE2-CG1 4.46Å; F266-V276 HydrophobicContact CZ-CG1 4.4Å; F266-V276 PolarHBondContact N-O 2.76Å; F266-V276 VanDerWaalsContact N-O 3.09Å; F266-V276 PolarHBondContact O-N 3.27Å; F266-V278 HydrophobicContact CE1-CB 4.36Å; F266-V278 HydrophobicContact CE1-CG2 3.55Å; F266-V278 HydrophobicContact CZ-CG2 3.64Å; F266-I314 HydrophobicContact CE2-CG2 3.84Å; F266-R318 HydrophobicContact CD1-CG 4.02Å; F266-R318 HydrophobicContact CD2-CB 4.24Å; F266-R318 HydrophobicContact CD2-CG 3.85Å; F266-R318 HydrophobicContact CE1-CB 4.46Å; F266-R318 HydrophobicContact CE1-CG 3.9Å; F266-R318 HydrophobicContact CE2-CB 3.71Å; F266-R318 HydrophobicContact CE2-CG 3.72Å; F266-R318 HydrophobicContact CG-CG 3.99Å; F266-R318 HydrophobicContact CZ-CB 3.83Å; F266-R318 HydrophobicContact CZ-CG 3.75Å; F266-Y319 AromaticContact CE1-CE2 3.94Å; F266-Y319 HydrophobicContact CE1-CE2 3.94Å; F266-Y319 HydrophobicContact CZ-CE2 4.08Å
267D93Very high92.8Very high16 Ų1631.7 Ų31.79%0.08617%0.174CC..EExtended strand (participates in β ladder)trans-64.2144.9170.8-70.1-56.4000111.4S103 T104 G269 M275 R318S103-D267 WeakPolarHBondContact CA-OD2 3.38Å; T104-D267 WeakPolarHBondContact CB-OD1 3.43Å; T104-D267 PolarHBondContact N-OD2 3.32Å; T104-D267 PolarHBondContact OG1-OD1 3.25Å; D267-G269 PolarHBondContact O-N 2.84Å; D267-M275 VanDerWaalsContact OD1-CG 3.27Å; D267-M275 WeakPolarHBondContact OD1-CG 3.35Å; D267-R318 PolarHBondContact O-NH2 3.03Å
268T92.3Very high92.9Very high2 Ų227.7 Ų27.71%0.01216%0.156CC..  trans-65.5-22.8-176.762.30000113.7E270 D272 R274 V276 Y310 I314 R317T268-E270 PolarHBondContact O-N 3.34Å; T268-E270 PolarHBondContact OG1-N 2.9Å; T268-E270 VanDerWaalsContact OG1-N 3.07Å; T268-D272 PolarHBondContact OG1-OD1 3.4Å; T268-R274 VanDerWaalsContact CG2-C 3.49Å; T268-R274 HydrophobicContact CG2-CB 3.84Å; T268-R274 WeakPolarHBondContact CG2-O 3.29Å; T268-R274 PolarHBondContact N-O 3.36Å; T268-R274 VanDerWaalsContact N-O 3.1Å; T268-V276 HydrophobicContact CG2-CG2 3.97Å; T268-Y310 WeakPolarHBondContact CG2-OH 3.4Å; T268-I314 HydrophobicContact CG2-CD1 3.74Å; T268-I314 HydrophobicContact CG2-CG1 4.41Å; T268-R317 PolarHBondContact O-NH1 3.18Å
269G90.3Very high92.9Very high26 Ų2627.7 Ų27.727%0.26816%0.156SC..SBendtrans68.65.7-167.600000114.1D267 N271 R317D267-G269 PolarHBondContact O-N 2.84Å; G269-N271 VanDerWaalsContact C-N 3.33Å; G269-R317 PolarHBondContact O-NH1 3.16Å
270E88.1Confident92.9Very high61 Ų6124.4 Ų24.429%0.28515%0.145SC..SBendtrans-88.5-2.8176.9-68.1-64.7127.100112.9T268 D272 K313 I314 R317T268-E270 PolarHBondContact O-N 3.34Å; T268-E270 PolarHBondContact OG1-N 2.9Å; T268-E270 VanDerWaalsContact OG1-N 3.07Å; E270-D272 HydrophobicContact CB-CB 4.4Å; E270-D272 PolarHBondContact O-N 3.42Å; E270-K313 WeakPolarHBondContact OE1-CE 3.3Å; E270-K313 IonicContact OE1-NZ 3.51Å; E270-K313 PolarHBondContact OE1-NZ 3.46Å; E270-K313 IonicContact OE2-NZ 2.72Å; E270-K313 PolarHBondContact OE2-NZ 2.72Å; E270-I314 HydrophobicContact CG-CG1 4.4Å; E270-R317 IonicContact OE1-CZ 2.67Å; E270-R317 IonicContact OE1-NH1 2.57Å; E270-R317 PolarHBondContact OE1-NH1 3.42Å; E270-R317 IonicContact OE1-NH2 3.98Å; E270-R317 PolarHBondContact OE1-NH2 3.04Å
271N82.5Confident92.9Very high115 Ų11525 Ų2562%0.61515%0.146SC*.SBendtrans57.827.2-175.9-144.315.4000112.8P101 G102 G269 G273P101-N271 PolarHBondContact O-OD1 3.03Å; G102-N271 WeakPolarHBondContact CA-OD1 3.27Å; G269-N271 VanDerWaalsContact C-N 3.33Å; N271-G273 VanDerWaalsContact C-N 3.32Å
272D85.3Confident92.8Very high56 Ų5626 Ų2630%0.29914%0.144SC..SBendtrans-90.60.2175.865-6.7000112.5T268 E270 R274 Y310T268-D272 PolarHBondContact OG1-OD1 3.4Å; E270-D272 HydrophobicContact CB-CB 4.4Å; E270-D272 PolarHBondContact O-N 3.42Å; D272-R274 HydrophobicContact CB-CG 4.44Å; D272-R274 PolarHBondContact O-N 2.87Å; D272-R274 WeakPolarHBondContact OD1-CB 3.42Å; D272-R274 PolarHBondContact OD1-N 2.97Å; D272-Y310 PolarHBondContact OD2-OH 3.07Å
273G81.1Confident92.6Very high33 Ų3327.5 Ų27.534%0.3416%0.157SC..SBendtrans64.328.3-175.700000112.2R60 N271R60-G273 PolarHBondContact NH1-O 2.93Å; R60-G273 PolarHBondContact NH2-O 3.34Å; N271-G273 VanDerWaalsContact C-N 3.32Å
274R85.3Confident92.6Very high22 Ų2227.8 Ų27.88%0.08316%0.158CC..  trans-109.4157175.8-57.6-177.768.1-127.1-13.8110.2T268 D272 T289 T290 Y310 N348 T350T268-R274 VanDerWaalsContact CG2-C 3.49Å; T268-R274 HydrophobicContact CG2-CB 3.84Å; T268-R274 WeakPolarHBondContact CG2-O 3.29Å; T268-R274 PolarHBondContact N-O 3.36Å; T268-R274 VanDerWaalsContact N-O 3.1Å; D272-R274 HydrophobicContact CB-CG 4.44Å; D272-R274 PolarHBondContact O-N 2.87Å; D272-R274 WeakPolarHBondContact OD1-CB 3.42Å; D272-R274 PolarHBondContact OD1-N 2.97Å; R274-T289 PolarHBondContact NH2-O 3.39Å; R274-T290 PolarHBondContact NH2-O 3.03Å; R274-Y310 PolarHBondContact NH1-OH 3.24Å; R274-N348 PolarHBondContact NH2-ND2 3.16Å; R274-N348 VanDerWaalsContact NH2-ND2 3.17Å; R274-T350 HydrophobicContact CG-CG2 4.33Å
275M91.1Very high92.7Very high1 Ų128 Ų281%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-125.9151.7174.5-64.4-179.57700108.7R60 L95 T104 Y265 F266 D267R60-M275 HydrophobicContact CG-SD 4.43Å; L95-M275 HydrophobicContact CD1-CE 4.46Å; L95-M275 HydrophobicContact CG-CE 4.45Å; T104-M275 HydrophobicContact CG2-SD 4.33Å; Y265-M275 HydrophobicContact CD1-CE 3.49Å; Y265-M275 VanDerWaalsContact CD1-CE 3.49Å; Y265-M275 HydrophobicContact CD1-SD 4.19Å; Y265-M275 HydrophobicContact CD2-CB 3.95Å; Y265-M275 HydrophobicContact CD2-CE 4.23Å; Y265-M275 HydrophobicContact CE1-CB 4.23Å; Y265-M275 HydrophobicContact CE1-CE 3.41Å; Y265-M275 VanDerWaalsContact CE1-CE 3.41Å; Y265-M275 HydrophobicContact CE1-SD 3.46Å; Y265-M275 WeakPolarHBondContact CE1-SD 3.46Å; Y265-M275 HydrophobicContact CE2-CB 3.17Å; Y265-M275 HydrophobicContact CE2-CE 4.19Å; Y265-M275 HydrophobicContact CE2-CG 4.24Å; Y265-M275 HydrophobicContact CE2-SD 4.21Å; Y265-M275 HydrophobicContact CG-CE 3.91Å; Y265-M275 WeakPolarHBondContact OH-CB 3.38Å; F266-M275 CarbonylContact O-C 3.47Å; F266-M275 WeakPolarHBondContact O-CA 3.49Å; F266-M275 VanDerWaalsContact O-CB 3.32Å; F266-M275 WeakPolarHBondContact O-CB 3.37Å; D267-M275 VanDerWaalsContact OD1-CG 3.27Å; D267-M275 WeakPolarHBondContact OD1-CG 3.35Å
276V93.9Very high92.7Very high0 Ų027.2 Ų27.20%016%0.156CC..EExtended strand (participates in β ladder)trans-124.4139.8-177.5168.90000109.2Y265 F266 T268 G288 I314Y265-V276 WeakPolarHBondContact CD2-O 3.5Å; F266-V276 HydrophobicContact CE2-CB 4.25Å; F266-V276 HydrophobicContact CE2-CG1 4.46Å; F266-V276 HydrophobicContact CZ-CG1 4.4Å; F266-V276 PolarHBondContact N-O 2.76Å; F266-V276 VanDerWaalsContact N-O 3.09Å; F266-V276 PolarHBondContact O-N 3.27Å; T268-V276 HydrophobicContact CG2-CG2 3.97Å; V276-G288 WeakPolarHBondContact CA-O 3.36Å; V276-I314 HydrophobicContact CB-CG2 4.07Å; V276-I314 HydrophobicContact CG1-CG2 4.35Å; V276-I314 HydrophobicContact CG2-CD1 4.18Å; V276-I314 HydrophobicContact CG2-CG2 3.91Å
277F97.2Very high92.9Very high14 Ų1427.2 Ų27.26%0.06116%0.156CC..EExtended strand (participates in β ladder)trans-95145.6171.6-62.5-86.2000110.5T52 L54 M93 T264 Y265 I279 F287 G288T52-F277 HydrophobicContact CG2-CB 4.43Å; T52-F277 HydrophobicContact CG2-CD2 3.9Å; T52-F277 HydrophobicContact CG2-CE2 4.43Å; T52-F277 HydrophobicContact CG2-CG 4.24Å; L54-F277 HydrophobicContact CD1-CD1 4.02Å; L54-F277 HydrophobicContact CD1-CE1 3.97Å; L54-F277 HydrophobicContact CD1-CZ 4.44Å; M93-F277 HydrophobicContact CE-CD1 3.93Å; M93-F277 HydrophobicContact CE-CE1 3.66Å; M93-F277 HydrophobicContact SD-CD1 4.01Å; M93-F277 HydrophobicContact SD-CE1 3.68Å; T264-F277 CarbonylContact O-C 3.58Å; T264-F277 WeakPolarHBondContact O-CA 3.39Å; Y265-F277 AromaticContact CD1-CE1 3.96Å; Y265-F277 HydrophobicContact CD1-CE1 3.96Å; Y265-F277 HydrophobicContact CD1-CZ 4.26Å; Y265-F277 AromaticContact CD2-CD1 3.4Å; Y265-F277 HydrophobicContact CD2-CD1 3.4Å; Y265-F277 AromaticContact CD2-CD2 3.89Å; Y265-F277 HydrophobicContact CD2-CD2 3.89Å; Y265-F277 AromaticContact CD2-CE1 3.28Å; Y265-F277 HydrophobicContact CD2-CE1 3.28Å; Y265-F277 AromaticContact CD2-CE2 3.8Å; Y265-F277 HydrophobicContact CD2-CE2 3.8Å; Y265-F277 AromaticContact CD2-CG 3.7Å; Y265-F277 HydrophobicContact CD2-CG 3.7Å; Y265-F277 AromaticContact CD2-CZ 3.51Å; Y265-F277 HydrophobicContact CD2-CZ 3.51Å; Y265-F277 HydrophobicContact CE1-CE1 4.29Å; Y265-F277 HydrophobicContact CE1-CZ 4.12Å; Y265-F277 HydrophobicContact CE2-CD1 4.06Å; Y265-F277 AromaticContact CE2-CD2 3.83Å; Y265-F277 HydrophobicContact CE2-CD2 3.83Å; Y265-F277 AromaticContact CE2-CE1 3.65Å; Y265-F277 HydrophobicContact CE2-CE1 3.65Å; Y265-F277 AromaticContact CE2-CE2 3.41Å; Y265-F277 HydrophobicContact CE2-CE2 3.41Å; Y265-F277 VanDerWaalsContact CE2-CE2 3.41Å; Y265-F277 HydrophobicContact CE2-CG 4.14Å; Y265-F277 AromaticContact CE2-CZ 3.31Å; Y265-F277 HydrophobicContact CE2-CZ 3.31Å; Y265-F277 AromaticContact CG-CD1 3.75Å; Y265-F277 HydrophobicContact CG-CD1 3.75Å; Y265-F277 AromaticContact CG-CE1 3.45Å; Y265-F277 HydrophobicContact CG-CE1 3.45Å; Y265-F277 VanDerWaalsContact CG-CE1 3.45Å; Y265-F277 HydrophobicContact CG-CG 4.49Å; Y265-F277 AromaticContact CG-CZ 3.98Å; Y265-F277 HydrophobicContact CG-CZ 3.98Å; Y265-F277 AromaticContact CZ-CZ 3.65Å; F277-I279 HydrophobicContact CB-CD1 3.72Å; F277-I279 HydrophobicContact CB-CG1 3.87Å; F277-I279 HydrophobicContact CD1-CD1 4.47Å; F277-I279 HydrophobicContact CG-CD1 4.25Å; F277-F287 WeakPolarHBondContact O-CA 3.38Å; F277-F287 VanDerWaalsContact O-CB 3.22Å; F277-F287 WeakPolarHBondContact O-CB 3.45Å; F277-G288 PolarHBondContact N-O 2.93Å; F277-G288 PolarHBondContact O-N 3.26Å
278V98.2Very high93.1Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-127.9118.8165.7-178.30000106.6L258 V260 T264 F266 T285 F287 V315 Y319L258-V278 HydrophobicContact CD2-CG1 3.59Å; L258-V278 HydrophobicContact CG-CG1 4.16Å; V260-V278 HydrophobicContact CG1-CG1 3.8Å; V260-V278 HydrophobicContact CG2-CG1 3.99Å; T264-V278 PolarHBondContact N-O 3.37Å; T264-V278 PolarHBondContact O-N 2.94Å; F266-V278 HydrophobicContact CE1-CB 4.36Å; F266-V278 HydrophobicContact CE1-CG2 3.55Å; F266-V278 HydrophobicContact CZ-CG2 3.64Å; V278-T285 HydrophobicContact CG1-CG2 3.46Å; V278-T285 VanDerWaalsContact CG1-CG2 3.46Å; V278-F287 HydrophobicContact CB-CB 4.49Å; V278-F287 HydrophobicContact CG2-CB 3.96Å; V278-V315 HydrophobicContact CG2-CG2 4.42Å; V278-Y319 HydrophobicContact CG2-CE2 4.01Å
279I98.3Very high93.1Very high0 Ų026.5 Ų26.50%015%0.153CC..EExtended strand (participates in β ladder)trans-133.2125.4-163.4-55.3170.9000109.7T52 L54 P263 F277 T285 Y286T52-I279 HydrophobicContact CG2-CD1 3.81Å; L54-I279 HydrophobicContact CD1-CD1 3.72Å; L54-I279 HydrophobicContact CD2-CD1 4.08Å; L54-I279 HydrophobicContact CG-CD1 3.94Å; P263-I279 HydrophobicContact CB-CG1 4.34Å; P263-I279 HydrophobicContact CB-CG2 4.41Å; P263-I279 HydrophobicContact CG-CG2 4.24Å; F277-I279 HydrophobicContact CB-CD1 3.72Å; F277-I279 HydrophobicContact CB-CG1 3.87Å; F277-I279 HydrophobicContact CD1-CD1 4.47Å; F277-I279 HydrophobicContact CG-CD1 4.25Å; I279-T285 WeakPolarHBondContact O-CA 3.38Å; I279-Y286 HydrophobicContact CB-CD1 4.04Å; I279-Y286 HydrophobicContact CB-CE1 3.49Å; I279-Y286 VanDerWaalsContact CB-CE1 3.49Å; I279-Y286 HydrophobicContact CB-CE2 4.12Å; I279-Y286 HydrophobicContact CD1-CE1 4.41Å; I279-Y286 HydrophobicContact CD1-CE2 3.71Å; I279-Y286 WeakPolarHBondContact CD1-OH 3.5Å; I279-Y286 HydrophobicContact CG1-CE2 4.36Å; I279-Y286 HydrophobicContact CG2-CD1 4.37Å; I279-Y286 HydrophobicContact CG2-CE1 3.47Å; I279-Y286 VanDerWaalsContact CG2-CE1 3.47Å; I279-Y286 WeakPolarHBondContact CG2-OH 3.27Å; I279-Y286 PolarHBondContact N-O 3.47Å; I279-Y286 VanDerWaalsContact O-CD1 3.29Å; I279-Y286 WeakPolarHBondContact O-CD1 3.49Å; I279-Y286 PolarHBondContact O-N 2.82Å
280P97.5Very high93.2Very high29 Ų2925.4 Ų25.419%0.18814%0.141CC..EExtended strand (participates in β ladder)trans-74140.6171.330-31000110.7V260 Q262V260-P280 HydrophobicContact CG2-CB 4.17Å; V260-P280 HydrophobicContact CG2-CG 4.25Å; V260-P280 WeakPolarHBondContact O-CB 2.95Å; Q262-P280 VanDerWaalsContact C-CD 3.46Å; Q262-P280 WeakPolarHBondContact O-CD 3.5Å
281R96.4Very high93.3Very high24 Ų2424.1 Ų24.19%0.09114%0.136CC..EExtended strand (participates in β ladder)trans-153.4123.1172.8-176.265.170.6109.59110K53 N161 S283 K284 Y286 F543K53-R281 PolarHBondContact O-NH2 3.33Å; N161-R281 PolarHBondContact O-NH1 2.73Å; N161-R281 PolarHBondContact O-NH2 3.46Å; R281-S283 PolarHBondContact O-N 2.92Å; R281-K284 PolarHBondContact N-O 3.25Å; R281-K284 PolarHBondContact O-N 3.39Å; R281-K284 VanDerWaalsContact O-O 3.04Å; R281-Y286 HydrophobicContact CB-CD1 4.07Å; R281-Y286 HydrophobicContact CB-CE1 3.96Å; R281-F543 HydrophobicContact CB-CD1 3.98Å; R281-F543 HydrophobicContact CB-CE1 4.12Å; R281-F543 HydrophobicContact CB-CG 4.26Å; R281-F543 HydrophobicContact CG-CB 4.24Å; R281-F543 HydrophobicContact CG-CD1 3.86Å; R281-F543 HydrophobicContact CG-CD2 3.66Å; R281-F543 HydrophobicContact CG-CE1 4.1Å; R281-F543 HydrophobicContact CG-CE2 3.91Å; R281-F543 HydrophobicContact CG-CG 3.64Å; R281-F543 HydrophobicContact CG-CZ 4.12Å
282E93.1Very high93.6Very high103 Ų10321.4 Ų21.448%0.48112%0.123SC..THydrogen-bonded Turntrans51.9-130.6-170.7-48.5-61.7173.800110.2K284 F543 I544E282-K284 VanDerWaalsContact C-N 3.29Å; E282-F543 HydrophobicContact CB-CB 4.16Å; E282-F543 HydrophobicContact CG-CB 3.76Å; E282-I544 HydrophobicContact CG-CG1 4.4Å
283S94.1Very high93.8Very high59 Ų5923.7 Ų23.741%0.41314%0.135SC..THydrogen-bonded Turntrans-8913.5174.859.10000114.1G255 R281G255-S283 WeakPolarHBondContact CA-O 3.45Å; G255-S283 PolarHBondContact N-O 2.91Å; R281-S283 PolarHBondContact O-N 2.92Å
284K97.7Very high94.2Very high7 Ų723.4 Ų23.43%0.0312%0.124CC..EExtended strand (participates in β ladder)trans-121.6161-172.7-55.2-60.6169.3-179.40111.6V252 D254 R281 E282 E330 F543 S545V252-K284 HydrophobicContact CG1-CB 3.7Å; V252-K284 HydrophobicContact CG1-CG 4.21Å; D254-K284 IonicContact OD2-NZ 2.93Å; D254-K284 PolarHBondContact OD2-NZ 2.93Å; R281-K284 PolarHBondContact N-O 3.25Å; R281-K284 PolarHBondContact O-N 3.39Å; R281-K284 VanDerWaalsContact O-O 3.04Å; E282-K284 VanDerWaalsContact C-N 3.29Å; K284-E330 WeakPolarHBondContact CE-OE2 3.38Å; K284-E330 IonicContact NZ-OE1 2.68Å; K284-E330 PolarHBondContact NZ-OE1 2.84Å; K284-E330 IonicContact NZ-OE2 3.25Å; K284-E330 PolarHBondContact NZ-OE2 3.2Å; K284-F543 HydrophobicContact CB-CD1 4.41Å; K284-F543 WeakPolarHBondContact CG-O 3.41Å; K284-S545 WeakPolarHBondContact CE-OG 3.38Å
285T98.4Very high94.4Very high3 Ų331.4 Ų31.42%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-122.3127.5169.8-61.30000108.2V253 L258 V260 V278 I279V253-T285 WeakPolarHBondContact CG2-O 3.49Å; V253-T285 PolarHBondContact N-O 3.05Å; V253-T285 PolarHBondContact O-N 3.12Å; L258-T285 HydrophobicContact CB-CG2 4.37Å; L258-T285 HydrophobicContact CD2-CG2 3.77Å; L258-T285 HydrophobicContact CG-CG2 3.94Å; L258-T285 WeakPolarHBondContact O-CB 3.32Å; L258-T285 PolarHBondContact O-OG1 3.37Å; V260-T285 HydrophobicContact CG2-CG2 3.62Å; V278-T285 HydrophobicContact CG1-CG2 3.46Å; V278-T285 VanDerWaalsContact CG1-CG2 3.46Å; I279-T285 WeakPolarHBondContact O-CA 3.38Å
286Y98.6Very high94.5Very high0 Ų033.8 Ų33.80%019%0.188CC..EExtended strand (participates in β ladder)trans-116.6152.8174.575.5-84.3000111.3T52 L251 I279 R281 W333 F543T52-Y286 PolarHBondContact O-OH 3.5Å; L251-Y286 CarbonylContact O-C 3.41Å; L251-Y286 WeakPolarHBondContact O-CA 3.41Å; L251-Y286 WeakPolarHBondContact O-CB 3.14Å; I279-Y286 HydrophobicContact CB-CD1 4.04Å; I279-Y286 HydrophobicContact CB-CE1 3.49Å; I279-Y286 VanDerWaalsContact CB-CE1 3.49Å; I279-Y286 HydrophobicContact CB-CE2 4.12Å; I279-Y286 HydrophobicContact CD1-CE1 4.41Å; I279-Y286 HydrophobicContact CD1-CE2 3.71Å; I279-Y286 WeakPolarHBondContact CD1-OH 3.5Å; I279-Y286 HydrophobicContact CG1-CE2 4.36Å; I279-Y286 HydrophobicContact CG2-CD1 4.37Å; I279-Y286 HydrophobicContact CG2-CE1 3.47Å; I279-Y286 VanDerWaalsContact CG2-CE1 3.47Å; I279-Y286 WeakPolarHBondContact CG2-OH 3.27Å; I279-Y286 PolarHBondContact N-O 3.47Å; I279-Y286 VanDerWaalsContact O-CD1 3.29Å; I279-Y286 WeakPolarHBondContact O-CD1 3.49Å; I279-Y286 PolarHBondContact O-N 2.82Å; R281-Y286 HydrophobicContact CB-CD1 4.07Å; R281-Y286 HydrophobicContact CB-CE1 3.96Å; Y286-W333 AromaticContact CD2-CH2 3.5Å; Y286-W333 HydrophobicContact CD2-CH2 3.5Å; Y286-W333 HydrophobicContact CD2-CZ2 4.18Å; Y286-W333 HydrophobicContact CD2-CZ3 4.47Å; Y286-W333 AromaticContact CE2-CH2 3.95Å; Y286-W333 HydrophobicContact CE2-CH2 3.95Å; Y286-W333 HydrophobicContact CE2-CZ2 4.31Å; Y286-W333 AromaticContact CG-CH2 3.97Å; Y286-W333 HydrophobicContact CG-CH2 3.97Å; Y286-F543 AromaticContact CD1-CE1 3.71Å; Y286-F543 HydrophobicContact CD1-CE1 3.71Å; Y286-F543 HydrophobicContact CD1-CZ 4.13Å; Y286-F543 HydrophobicContact CE1-CE1 4.35Å; Y286-F543 HydrophobicContact CE1-CZ 4.37Å; Y286-F543 HydrophobicContact CG-CE1 4.12Å
287F98.5Very high94.6Very high0 Ų037.4 Ų37.40%021%0.207CC..EExtended strand (participates in β ladder)trans-142.4151.4-177.152.1-92.2000112.3H250 L251 V253 L258 F277 V278 L311 L312 V315 L324 I329H250-F287 WeakPolarHBondContact CA-O 3.42Å; L251-F287 HydrophobicContact CB-CD2 4.28Å; L251-F287 HydrophobicContact CB-CE1 4.38Å; L251-F287 HydrophobicContact CB-CE2 3.77Å; L251-F287 HydrophobicContact CB-CZ 3.81Å; L251-F287 HydrophobicContact CD1-CE2 3.81Å; L251-F287 HydrophobicContact CD1-CZ 4.2Å; L251-F287 HydrophobicContact CG-CE2 4.23Å; L251-F287 PolarHBondContact N-O 3.16Å; L251-F287 PolarHBondContact O-N 2.87Å; V253-F287 HydrophobicContact CG1-CE1 3.81Å; V253-F287 HydrophobicContact CG1-CZ 4.31Å; V253-F287 HydrophobicContact CG2-CE1 4.06Å; L258-F287 HydrophobicContact CD2-CD1 4.2Å; F277-F287 WeakPolarHBondContact O-CA 3.38Å; F277-F287 VanDerWaalsContact O-CB 3.22Å; F277-F287 WeakPolarHBondContact O-CB 3.45Å; V278-F287 HydrophobicContact CB-CB 4.49Å; V278-F287 HydrophobicContact CG2-CB 3.96Å; F287-L311 HydrophobicContact CD2-CB 4.12Å; F287-L311 HydrophobicContact CE2-CB 3.94Å; F287-L312 HydrophobicContact CE2-CD2 4.46Å; F287-L312 HydrophobicContact CZ-CD2 4.09Å; F287-V315 HydrophobicContact CB-CG2 4.07Å; F287-V315 HydrophobicContact CD1-CG2 4.28Å; F287-V315 HydrophobicContact CD2-CG2 3.45Å; F287-V315 VanDerWaalsContact CD2-CG2 3.45Å; F287-V315 HydrophobicContact CE2-CB 4.48Å; F287-V315 HydrophobicContact CE2-CG2 3.81Å; F287-V315 HydrophobicContact CG-CG2 3.69Å; F287-V315 HydrophobicContact CZ-CG2 4.4Å; F287-L324 HydrophobicContact CE1-CD1 4.1Å; F287-L324 HydrophobicContact CZ-CD1 4.31Å; F287-I329 HydrophobicContact CZ-CD1 4.04Å
288G96.7Very high94.5Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans176.6170.9-175.600000112.7V276 F277V276-G288 WeakPolarHBondContact CA-O 3.36Å; F277-G288 PolarHBondContact N-O 2.93Å; F277-G288 PolarHBondContact O-N 3.26Å
289T93.8Very high94.4Very high4 Ų441.4 Ų41.43%0.02523%0.225CC..  cis-133.9174.915.7-172.80000111.9G248 V249 H250 R274 R337G248-T289 WeakPolarHBondContact CA-OG1 3.37Å; V249-T289 PolarHBondContact N-OG1 2.84Å; V249-T289 VanDerWaalsContact O-CA 3.24Å; V249-T289 WeakPolarHBondContact O-CA 3.19Å; V249-T289 PolarHBondContact O-OG1 3.08Å; H250-T289 PolarHBondContact CE1-OG1 2.94Å; R274-T289 PolarHBondContact NH2-O 3.39Å; T289-R337 PolarHBondContact OG1-NH2 3.4Å; T289-R337 VanDerWaalsContact OG1-NH2 3.11Å
290T92.4Very high94.1Very high3 Ų345.8 Ų45.82%0.01825%0.246CC..  trans-94.2170.1168.164.30000111.6G248 V249 R274 D307 Y310 L311 R337G248-T290 WeakPolarHBondContact CA-O 3.12Å; V249-T290 HydrophobicContact CB-CG2 4.19Å; V249-T290 WeakPolarHBondContact CB-OG1 3.45Å; V249-T290 PolarHBondContact N-OG1 3.4Å; V249-T290 PolarHBondContact O-N 3.41Å; R274-T290 PolarHBondContact NH2-O 3.03Å; T290-D307 HydrophobicContact CG2-CB 4.03Å; T290-D307 PolarHBondContact OG1-OD1 3.21Å; T290-Y310 HydrophobicContact CG2-CD1 3.91Å; T290-Y310 HydrophobicContact CG2-CE1 4.45Å; T290-L311 HydrophobicContact CG2-CD1 4Å; T290-L311 HydrophobicContact CG2-CD2 4.17Å; T290-L311 HydrophobicContact CG2-CG 3.84Å; T290-R337 PolarHBondContact O-NH1 2.6Å; T290-R337 VanDerWaalsContact O-NH1 3.1Å; T290-R337 PolarHBondContact O-NH2 3.4Å
291D89Confident94.1Very high34 Ų3444.5 Ų44.518%0.18224%0.238CC..  trans-149.995.4176.5-154.1-5.5000109.6T246 K247 R337 N348T246-D291 VanDerWaalsContact CB-OD1 3.24Å; T246-D291 WeakPolarHBondContact CB-OD1 3.46Å; T246-D291 PolarHBondContact OG1-OD1 3.35Å; K247-D291 WeakPolarHBondContact O-CA 3.49Å; D291-R337 IonicContact OD1-NH1 3.12Å; D291-R337 PolarHBondContact OD1-NH1 3.49Å; D291-N348 WeakPolarHBondContact CB-ND2 3.27Å; D291-N348 PolarHBondContact OD2-ND2 3.1Å
292T89.2Confident94Very high57 Ų5746.3 Ų46.335%0.3525%0.251SS..EExtended strand (participates in β ladder)trans-127.7138.2-17848.70000110.5T246 K247 Y294T246-T292 CarbonylContact C-O 3.51Å; T246-T292 VanDerWaalsContact CA-O 3.27Å; T246-T292 WeakPolarHBondContact CA-O 3.34Å; T246-T292 WeakPolarHBondContact CB-O 3.46Å; K247-T292 PolarHBondContact N-O 3.41Å; K247-T292 PolarHBondContact O-N 3Å; K247-T292 VanDerWaalsContact O-N 3.1Å; T292-Y294 PolarHBondContact O-N 3.32Å
293D89.5Confident94.2Very high104 Ų10442.2 Ų42.256%0.55623%0.233SC*.EExtended strand (participates in β ladder)trans-58.7134.3171.3-84-40.4000109.9R244R244-D293 IonicContact CZ-OD1 2.68Å; R244-D293 IonicContact CZ-OD2 3.66Å; R244-D293 IonicContact NE-OD1 2.61Å; R244-D293 PolarHBondContact NE-OD1 3.14Å; R244-D293 IonicContact NE-OD2 3.86Å; R244-D293 IonicContact NH2-OD1 2.71Å; R244-D293 PolarHBondContact NH2-OD1 2.79Å; R244-D293 IonicContact NH2-OD2 2.81Å; R244-D293 PolarHBondContact NH2-OD2 3.43Å
294Y90.4Very high94.3Very high28 Ų2844 Ų4411%0.1124%0.235CC..  trans-117.9128.9-172.9-170.6-99000112.9P245 K247 T292 D297 Y298 P301 L336P245-Y294 PolarHBondContact O-N 3.12Å; K247-Y294 HydrophobicContact CB-CD2 3.97Å; K247-Y294 HydrophobicContact CB-CG 4.35Å; K247-Y294 HydrophobicContact CD-CD2 3.93Å; K247-Y294 HydrophobicContact CD-CE2 4.09Å; K247-Y294 HydrophobicContact CG-CD2 4.39Å; T292-Y294 PolarHBondContact O-N 3.32Å; Y294-D297 WeakPolarHBondContact CE1-O 3.2Å; Y294-D297 PolarHBondContact OH-O 2.96Å; Y294-Y298 HydrophobicContact CD1-CD1 4.15Å; Y294-Y298 HydrophobicContact CD1-CE1 4.03Å; Y294-Y298 AromaticContact CE1-CD1 3.98Å; Y294-Y298 HydrophobicContact CE1-CD1 3.98Å; Y294-Y298 HydrophobicContact CE1-CE1 4.27Å; Y294-P301 HydrophobicContact CE2-CB 4.32Å; Y294-P301 WeakPolarHBondContact OH-CA 3.35Å; Y294-L336 HydrophobicContact CD1-CD1 3.72Å; Y294-L336 HydrophobicContact CD1-CD2 3.51Å; Y294-L336 HydrophobicContact CD1-CG 4.27Å; Y294-L336 HydrophobicContact CD2-CD2 4.05Å; Y294-L336 HydrophobicContact CE1-CD1 3.84Å; Y294-L336 HydrophobicContact CE1-CD2 4.02Å; Y294-L336 HydrophobicContact CG-CD2 3.51Å
295Q88.7Confident94.3Very high189 Ų18947.1 Ų47.188%0.88325%0.25SC*.  trans-130.5124.1167.8-61.4-176.56.500107.5
296G93.1Very high94.2Very high52 Ų5250.1 Ų50.154%0.53628%0.275SS..SBendtrans157.9-160.8-176.100000113Y298G296-Y298 WeakPolarHBondContact O-CD1 3.46Å; G296-Y298 PolarHBondContact O-N 3.47Å
297D95.2Very high94.1Very high76 Ų7650.4 Ų50.441%0.40628%0.277SS..  trans-70.9122.6173.1-177.714.6000109.9Y294 N299 H300Y294-D297 WeakPolarHBondContact CE1-O 3.2Å; Y294-D297 PolarHBondContact OH-O 2.96Å; D297-N299 VanDerWaalsContact C-N 3.31Å; D297-N299 WeakPolarHBondContact OD1-CB 3.31Å; D297-N299 PolarHBondContact OD1-N 2.92Å; D297-N299 PolarHBondContact OD1-ND2 2.94Å; D297-H300 IonicContact OD2-CG 3.11Å; D297-H300 IonicContact OD2-ND1 2.7Å; D297-H300 PolarHBondContact OD2-ND1 3.36Å
298Y96.7Very high94.1Very high51 Ų5150.4 Ų50.420%0.228%0.277CS..SBendtrans-77.9-21.8178.7-75.821000111.7P225 W226 L229 P245 Y294 G296 P301 L336P225-Y298 HydrophobicContact CB-CD2 4.27Å; P225-Y298 HydrophobicContact CB-CE2 4.38Å; P225-Y298 VanDerWaalsContact O-CE2 3.26Å; P225-Y298 WeakPolarHBondContact O-CE2 3.35Å; W226-Y298 VanDerWaalsContact CH2-O 3.24Å; W226-Y298 WeakPolarHBondContact CH2-O 3.3Å; W226-Y298 WeakPolarHBondContact CZ2-O 3.32Å; L229-Y298 HydrophobicContact CD1-CD2 4.11Å; L229-Y298 HydrophobicContact CD1-CE2 4.45Å; P245-Y298 HydrophobicContact CG-CE2 3.85Å; Y294-Y298 HydrophobicContact CD1-CD1 4.15Å; Y294-Y298 HydrophobicContact CD1-CE1 4.03Å; Y294-Y298 AromaticContact CE1-CD1 3.98Å; Y294-Y298 HydrophobicContact CE1-CD1 3.98Å; Y294-Y298 HydrophobicContact CE1-CE1 4.27Å; G296-Y298 WeakPolarHBondContact O-CD1 3.46Å; G296-Y298 PolarHBondContact O-N 3.47Å; Y298-P301 WeakPolarHBondContact O-CD 3.41Å; Y298-L336 HydrophobicContact CD1-CD1 3.74Å; Y298-L336 HydrophobicContact CD2-CD1 4.23Å; Y298-L336 HydrophobicContact CE1-CD1 4.28Å; Y298-L336 HydrophobicContact CG-CD1 3.7Å
299N94.5Very high94.1Very high46 Ų4654.7 Ų54.725%0.24630%0.299CS..SBendtrans-73.3-38.1-178-51.5-23.7000111.4M40 R50 W226 D297 P301M40-N299 WeakPolarHBondContact CE-OD1 3.5Å; R50-N299 PolarHBondContact NH2-O 3.01Å; W226-N299 WeakPolarHBondContact CZ2-OD1 3.25Å; W226-N299 PolarHBondContact NE1-OD1 2.92Å; D297-N299 VanDerWaalsContact C-N 3.31Å; D297-N299 WeakPolarHBondContact OD1-CB 3.31Å; D297-N299 PolarHBondContact OD1-N 2.92Å; D297-N299 PolarHBondContact OD1-ND2 2.94Å; N299-P301 VanDerWaalsContact C-CD 3.49Å
300H93.7Very high94.3Very high92 Ų9256.8 Ų56.843%0.42631%0.307SS..SBendtrans-13066.4-177.4-48.890.8000111D297 T302D297-H300 IonicContact OD2-CG 3.11Å; D297-H300 IonicContact OD2-ND1 2.7Å; D297-H300 PolarHBondContact OD2-ND1 3.36Å; H300-T302 PolarHBondContact O-N 3.41Å
301P95.7Very high94.6Very high3 Ų356.7 Ų56.72%0.01931%0.306CS..  trans-62.7129.4166.829.3-36.1000109.1Y294 Y298 N299 A334 L336Y294-P301 HydrophobicContact CE2-CB 4.32Å; Y294-P301 WeakPolarHBondContact OH-CA 3.35Å; Y298-P301 WeakPolarHBondContact O-CD 3.41Å; N299-P301 VanDerWaalsContact C-CD 3.49Å; P301-A334 HydrophobicContact CB-CB 4.4Å; P301-A334 WeakPolarHBondContact CG-O 3.44Å; P301-A334 WeakPolarHBondContact O-CB 3.46Å; P301-L336 HydrophobicContact CB-CD2 3.91Å; P301-L336 HydrophobicContact CB-CG 4.04Å; P301-L336 HydrophobicContact CG-CD2 4.47Å; P301-L336 HydrophobicContact CG-CG 4.11Å
302T95.8Very high95Very high61 Ų6155.8 Ų55.837%0.37430%0.301SS..  trans-109156.9-175.957.50000112.4K247 H300K247-T302 WeakPolarHBondContact CD-O 3.44Å; K247-T302 PolarHBondContact NZ-O 2.86Å; H300-T302 PolarHBondContact O-N 3.41Å
303V97.3Very high95.4Very high18 Ų1858 Ų5811%0.10931%0.306CS..  trans-76.6133.6169.81780000109.2V249 L251 D307 V308 A332 A334 L586 L589V249-V303 HydrophobicContact CG1-CB 4.35Å; V249-V303 HydrophobicContact CG1-CG1 3.88Å; V249-V303 HydrophobicContact CG1-CG2 3.67Å; V249-V303 HydrophobicContact CG2-CG2 4.08Å; L251-V303 HydrophobicContact CD2-CG1 4.43Å; V303-D307 HydrophobicContact CG1-CB 4.36Å; V303-V308 HydrophobicContact CG1-CG2 3.73Å; V303-A332 HydrophobicContact CG2-CB 4.1Å; V303-A334 HydrophobicContact CG2-CB 4.13Å; V303-L586 HydrophobicContact CB-CD2 3.66Å; V303-L586 HydrophobicContact CG1-CD1 4.23Å; V303-L586 HydrophobicContact CG1-CD2 3.85Å; V303-L586 HydrophobicContact CG2-CD2 4.08Å; V303-L589 HydrophobicContact CG1-CD1 4.27Å
304E96Very high95.8Very high97 Ų9753.1 Ų53.145%0.45328%0.28SS..  trans-110.8159.5176.6-67.7163.8-138.500111.1K247 A306 D307 V308K247-E304 IonicContact NZ-OE1 2.95Å; K247-E304 PolarHBondContact NZ-OE1 2.56Å; E304-A306 PolarHBondContact O-N 3.39Å; E304-D307 PolarHBondContact N-OD2 3.24Å; E304-D307 WeakPolarHBondContact O-CB 3.45Å; E304-D307 PolarHBondContact O-N 3.04Å; E304-V308 PolarHBondContact O-N 3.07Å
305Q97.1Very high96.1Very high72 Ų7251.8 Ų51.834%0.33628%0.275SS..Hα-helixtrans-55.3-37.6179.6-171.46146.500112.5D307 V308 D309Q305-D307 VanDerWaalsContact C-N 3.3Å; Q305-D307 PolarHBondContact O-N 2.99Å; Q305-V308 WeakPolarHBondContact O-CB 3.37Å; Q305-V308 PolarHBondContact O-N 3.26Å; Q305-V308 VanDerWaalsContact O-N 3.16Å; Q305-D309 PolarHBondContact NE2-OD1 3.39Å; Q305-D309 PolarHBondContact O-N 2.97Å
306A96.6Very high96.6Very high66 Ų6644.7 Ų44.755%0.54524%0.243SC..Hα-helixtrans-64.1-33.2177.700000113E304 Y310E304-A306 PolarHBondContact O-N 3.39Å; A306-Y310 VanDerWaalsContact O-CB 3.28Å; A306-Y310 WeakPolarHBondContact O-CB 3.41Å; A306-Y310 PolarHBondContact O-N 3.15Å; A306-Y310 VanDerWaalsContact O-N 3.1Å
307D96.9Very high96.7Very high6 Ų646.9 Ų46.93%0.03224%0.235CC..Hα-helixtrans-66.4-42.8174.2-62.3-62.2000110.4K247 V249 T290 V303 E304 Q305 L311K247-D307 VanDerWaalsContact CE-OD2 3.27Å; K247-D307 WeakPolarHBondContact CE-OD2 3.5Å; K247-D307 IonicContact NZ-OD2 3.61Å; K247-D307 PolarHBondContact NZ-OD2 2.61Å; V249-D307 HydrophobicContact CB-CB 4.09Å; V249-D307 HydrophobicContact CG1-CB 4.21Å; V249-D307 HydrophobicContact CG2-CB 3.87Å; T290-D307 HydrophobicContact CG2-CB 4.03Å; T290-D307 PolarHBondContact OG1-OD1 3.21Å; V303-D307 HydrophobicContact CG1-CB 4.36Å; E304-D307 PolarHBondContact N-OD2 3.24Å; E304-D307 WeakPolarHBondContact O-CB 3.45Å; E304-D307 PolarHBondContact O-N 3.04Å; Q305-D307 VanDerWaalsContact C-N 3.3Å; Q305-D307 PolarHBondContact O-N 2.99Å; D307-L311 WeakPolarHBondContact O-CG 3.25Å; D307-L311 PolarHBondContact O-N 2.78Å; D307-L311 VanDerWaalsContact O-N 3.12Å
308V98.1Very high96.8Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-63.9-51.1178.4178.20000111L251 V303 E304 Q305 Y310 L311 L312 I326 L586 L589L251-V308 HydrophobicContact CD1-CG1 4.34Å; L251-V308 HydrophobicContact CD1-CG2 4.48Å; L251-V308 HydrophobicContact CD2-CG2 4.37Å; V303-V308 HydrophobicContact CG1-CG2 3.73Å; E304-V308 PolarHBondContact O-N 3.07Å; Q305-V308 WeakPolarHBondContact O-CB 3.37Å; Q305-V308 PolarHBondContact O-N 3.26Å; Q305-V308 VanDerWaalsContact O-N 3.16Å; V308-Y310 VanDerWaalsContact C-N 3.31Å; V308-Y310 PolarHBondContact O-N 3.36Å; V308-L311 PolarHBondContact O-N 2.77Å; V308-L312 HydrophobicContact CG1-CD1 3.62Å; V308-L312 HydrophobicContact CG1-CG 4.13Å; V308-L312 WeakPolarHBondContact O-CB 3.43Å; V308-L312 WeakPolarHBondContact O-CG 3.33Å; V308-L312 PolarHBondContact O-N 2.93Å; V308-I326 HydrophobicContact CG1-CB 4.27Å; V308-I326 HydrophobicContact CG1-CD1 4.16Å; V308-I326 HydrophobicContact CG1-CG1 4.07Å; V308-L586 HydrophobicContact CG2-CD1 3.93Å; V308-L589 HydrophobicContact CG2-CD1 4.15Å
309D97.4Very high96.9Very high89 Ų8941.1 Ų41.148%0.47621%0.207SC..Hα-helixtrans-59.4-43-179.5-67-14.8000111.4Q305 K313Q305-D309 PolarHBondContact NE2-OD1 3.39Å; Q305-D309 PolarHBondContact O-N 2.97Å; D309-K313 WeakPolarHBondContact O-CB 3.46Å; D309-K313 PolarHBondContact O-N 2.96Å
310Y97.5Very high97Very high49 Ų4941.6 Ų41.619%0.19221%0.213CC..Hα-helixtrans-60.7-51.1177.3173.7-91.2000111.7T268 D272 R274 T290 A306 V308 K313 I314T268-Y310 WeakPolarHBondContact CG2-OH 3.4Å; D272-Y310 PolarHBondContact OD2-OH 3.07Å; R274-Y310 PolarHBondContact NH1-OH 3.24Å; T290-Y310 HydrophobicContact CG2-CD1 3.91Å; T290-Y310 HydrophobicContact CG2-CE1 4.45Å; A306-Y310 VanDerWaalsContact O-CB 3.28Å; A306-Y310 WeakPolarHBondContact O-CB 3.41Å; A306-Y310 PolarHBondContact O-N 3.15Å; A306-Y310 VanDerWaalsContact O-N 3.1Å; V308-Y310 VanDerWaalsContact C-N 3.31Å; V308-Y310 PolarHBondContact O-N 3.36Å; Y310-K313 PolarHBondContact O-N 2.68Å; Y310-I314 HydrophobicContact CD1-CD1 3.78Å; Y310-I314 HydrophobicContact CD2-CD1 4.06Å; Y310-I314 HydrophobicContact CE1-CD1 3.24Å; Y310-I314 HydrophobicContact CE2-CD1 3.58Å; Y310-I314 HydrophobicContact CG-CD1 4.15Å; Y310-I314 WeakPolarHBondContact O-CD1 3.21Å; Y310-I314 WeakPolarHBondContact O-CG1 3.49Å; Y310-I314 PolarHBondContact O-N 2.83Å; Y310-I314 WeakPolarHBondContact OH-CD1 3.27Å
311L98.1Very high97.1Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-68.6-43.7-177.2-71.4176.8000112.1V249 L251 F287 T290 D307 V308 K313 I314 V315V249-L311 HydrophobicContact CG1-CD1 4.21Å; L251-L311 HydrophobicContact CD1-CB 3.98Å; L251-L311 HydrophobicContact CD1-CD1 3.99Å; L251-L311 HydrophobicContact CG-CD1 3.83Å; F287-L311 HydrophobicContact CD2-CB 4.12Å; F287-L311 HydrophobicContact CE2-CB 3.94Å; T290-L311 HydrophobicContact CG2-CD1 4Å; T290-L311 HydrophobicContact CG2-CD2 4.17Å; T290-L311 HydrophobicContact CG2-CG 3.84Å; D307-L311 WeakPolarHBondContact O-CG 3.25Å; D307-L311 PolarHBondContact O-N 2.78Å; D307-L311 VanDerWaalsContact O-N 3.12Å; V308-L311 PolarHBondContact O-N 2.77Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 2.92Å; L311-I314 PolarHBondContact O-N 2.93Å; L311-V315 WeakPolarHBondContact O-CG2 3.25Å; L311-V315 PolarHBondContact O-N 3.35Å
312L98.2Very high97.1Very high15 Ų1545.7 Ų45.78%0.07923%0.234CC..Hα-helixtrans-63.3-39.6177.1-72-179.9000111.7F287 V308 I314 N316 L324 I329F287-L312 HydrophobicContact CE2-CD2 4.46Å; F287-L312 HydrophobicContact CZ-CD2 4.09Å; V308-L312 HydrophobicContact CG1-CD1 3.62Å; V308-L312 HydrophobicContact CG1-CG 4.13Å; V308-L312 WeakPolarHBondContact O-CB 3.43Å; V308-L312 WeakPolarHBondContact O-CG 3.33Å; V308-L312 PolarHBondContact O-N 2.93Å; L312-I314 VanDerWaalsContact C-N 3.34Å; L312-I314 PolarHBondContact O-N 2.88Å; L312-N316 WeakPolarHBondContact O-CB 3.17Å; L312-N316 PolarHBondContact O-N 2.92Å; L312-N316 PolarHBondContact O-ND2 3.29Å; L312-L324 HydrophobicContact CD2-CB 3.77Å; L312-I329 HydrophobicContact CD2-CD1 4.15Å
313K97.6Very high97.2Very high104 Ų10448 Ų4845%0.45224%0.244SC..Hα-helixtrans-57.3-46.9174.9-179.1-172.8-175.4-1700111.6E270 D309 Y310 L311 R317E270-K313 WeakPolarHBondContact OE1-CE 3.3Å; E270-K313 IonicContact OE1-NZ 3.51Å; E270-K313 PolarHBondContact OE1-NZ 3.46Å; E270-K313 IonicContact OE2-NZ 2.72Å; E270-K313 PolarHBondContact OE2-NZ 2.72Å; D309-K313 WeakPolarHBondContact O-CB 3.46Å; D309-K313 PolarHBondContact O-N 2.96Å; Y310-K313 PolarHBondContact O-N 2.68Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 2.92Å; K313-R317 WeakPolarHBondContact O-CB 3.15Å; K313-R317 PolarHBondContact O-N 3.17Å
314I96.8Very high97.2Very high1 Ų147.4 Ų47.41%0.00524%0.24CC..Hα-helixtrans-69.6-45.5-177.4-70.9159.5000111.4F266 T268 E270 V276 Y310 L311 L312 R317 R318F266-I314 HydrophobicContact CE2-CG2 3.84Å; T268-I314 HydrophobicContact CG2-CD1 3.74Å; T268-I314 HydrophobicContact CG2-CG1 4.41Å; E270-I314 HydrophobicContact CG-CG1 4.4Å; V276-I314 HydrophobicContact CB-CG2 4.07Å; V276-I314 HydrophobicContact CG1-CG2 4.35Å; V276-I314 HydrophobicContact CG2-CD1 4.18Å; V276-I314 HydrophobicContact CG2-CG2 3.91Å; Y310-I314 HydrophobicContact CD1-CD1 3.78Å; Y310-I314 HydrophobicContact CD2-CD1 4.06Å; Y310-I314 HydrophobicContact CE1-CD1 3.24Å; Y310-I314 HydrophobicContact CE2-CD1 3.58Å; Y310-I314 HydrophobicContact CG-CD1 4.15Å; Y310-I314 WeakPolarHBondContact O-CD1 3.21Å; Y310-I314 WeakPolarHBondContact O-CG1 3.49Å; Y310-I314 PolarHBondContact O-N 2.83Å; Y310-I314 WeakPolarHBondContact OH-CD1 3.27Å; L311-I314 PolarHBondContact O-N 2.93Å; L312-I314 VanDerWaalsContact C-N 3.34Å; L312-I314 PolarHBondContact O-N 2.88Å; I314-R317 PolarHBondContact O-N 3.47Å; I314-R318 PolarHBondContact O-N 2.9Å; I314-R318 VanDerWaalsContact O-N 3.14Å
315V98.1Very high97.3Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-65.4-45.8179.11730000110.9L258 V278 F287 L311 R317 R318 Y319 L324L258-V315 HydrophobicContact CD2-CG1 3.89Å; V278-V315 HydrophobicContact CG2-CG2 4.42Å; F287-V315 HydrophobicContact CB-CG2 4.07Å; F287-V315 HydrophobicContact CD1-CG2 4.28Å; F287-V315 HydrophobicContact CD2-CG2 3.45Å; F287-V315 VanDerWaalsContact CD2-CG2 3.45Å; F287-V315 HydrophobicContact CE2-CB 4.48Å; F287-V315 HydrophobicContact CE2-CG2 3.81Å; F287-V315 HydrophobicContact CG-CG2 3.69Å; F287-V315 HydrophobicContact CZ-CG2 4.4Å; L311-V315 WeakPolarHBondContact O-CG2 3.25Å; L311-V315 PolarHBondContact O-N 3.35Å; V315-R317 VanDerWaalsContact C-N 3.3Å; V315-R317 PolarHBondContact O-N 2.95Å; V315-R318 CarbonylContact O-C 3.32Å; V315-R318 PolarHBondContact O-N 3.16Å; V315-Y319 HydrophobicContact CG1-CD2 4.13Å; V315-Y319 PolarHBondContact O-N 3.27Å; V315-L324 HydrophobicContact CG1-CD1 3.71Å
316N98Very high97.3Very high41 Ų4143.7 Ų43.722%0.21923%0.228CC..Hα-helixtrans-66-30.4177.5-74.2-30.7000112.9L312 R318 Y319 P320 L324L312-N316 WeakPolarHBondContact O-CB 3.17Å; L312-N316 PolarHBondContact O-N 2.92Å; L312-N316 PolarHBondContact O-ND2 3.29Å; N316-R318 VanDerWaalsContact C-N 3.33Å; N316-Y319 CarbonylContact O-C 3.57Å; N316-P320 WeakPolarHBondContact O-CA 3.28Å; N316-L324 PolarHBondContact ND2-O 3.3Å; N316-L324 PolarHBondContact OD1-N 3.24Å
317R96.2Very high97.3Very high97 Ų9745.9 Ų45.937%0.36623%0.227SC..Hα-helixtrans-61.4-45.2170172.8-177.1-72.9141.30111T268 G269 E270 K313 I314 V315T268-R317 PolarHBondContact O-NH1 3.18Å; G269-R317 PolarHBondContact O-NH1 3.16Å; E270-R317 IonicContact OE1-CZ 2.67Å; E270-R317 IonicContact OE1-NH1 2.57Å; E270-R317 PolarHBondContact OE1-NH1 3.42Å; E270-R317 IonicContact OE1-NH2 3.98Å; E270-R317 PolarHBondContact OE1-NH2 3.04Å; K313-R317 WeakPolarHBondContact O-CB 3.15Å; K313-R317 PolarHBondContact O-N 3.17Å; I314-R317 PolarHBondContact O-N 3.47Å; V315-R317 VanDerWaalsContact C-N 3.3Å; V315-R317 PolarHBondContact O-N 2.95Å
318R97.2Very high97.3Very high6 Ų647 Ų472%0.02323%0.233CC..Hα-helixtrans-81.7-22.8-173.7-163.263.467.2-159.71.6112.9F98 E100 L145 A146 F266 D267 I314 V315 N316F98-R318 VanDerWaalsContact CE1-NH1 3.29Å; F98-R318 VanDerWaalsContact CE2-CD 3.42Å; F98-R318 VanDerWaalsContact CE2-NH1 3.27Å; F98-R318 VanDerWaalsContact CZ-CD 3.42Å; E100-R318 IonicContact OE1-NH2 3.89Å; E100-R318 PolarHBondContact OE1-NH2 3.46Å; E100-R318 IonicContact OE2-CZ 2.99Å; E100-R318 IonicContact OE2-NH1 3.7Å; E100-R318 PolarHBondContact OE2-NH1 2.97Å; E100-R318 IonicContact OE2-NH2 3.41Å; E100-R318 PolarHBondContact OE2-NH2 3.38Å; L145-R318 HydrophobicContact CD1-CG 3.68Å; A146-R318 WeakPolarHBondContact CB-O 3.43Å; A146-R318 PolarHBondContact N-O 2.78Å; F266-R318 HydrophobicContact CD1-CG 4.02Å; F266-R318 HydrophobicContact CD2-CB 4.24Å; F266-R318 HydrophobicContact CD2-CG 3.85Å; F266-R318 HydrophobicContact CE1-CB 4.46Å; F266-R318 HydrophobicContact CE1-CG 3.9Å; F266-R318 HydrophobicContact CE2-CB 3.71Å; F266-R318 HydrophobicContact CE2-CG 3.72Å; F266-R318 HydrophobicContact CG-CG 3.99Å; F266-R318 HydrophobicContact CZ-CB 3.83Å; F266-R318 HydrophobicContact CZ-CG 3.75Å; D267-R318 PolarHBondContact O-NH2 3.03Å; I314-R318 PolarHBondContact O-N 2.9Å; I314-R318 VanDerWaalsContact O-N 3.14Å; V315-R318 CarbonylContact O-C 3.32Å; V315-R318 PolarHBondContact O-N 3.16Å; N316-R318 VanDerWaalsContact C-N 3.33Å
319Y98.1Very high97.3Very high0 Ų047 Ų470%023%0.233CC..SBendtrans-128.269.4177.3-60.5-88.7000110.3E142 Q144 L145 L258 V260 T264 F266 V278 V315 N316 E321 V322E142-Y319 PolarHBondContact OE2-OH 3.1Å; Q144-Y319 HydrophobicContact CB-CD1 3.89Å; Q144-Y319 WeakPolarHBondContact O-CA 3.36Å; L145-Y319 HydrophobicContact CB-CE1 4.21Å; L145-Y319 HydrophobicContact CD1-CD1 4.38Å; L145-Y319 HydrophobicContact CD1-CE1 3.71Å; L145-Y319 HydrophobicContact CD1-CE2 4.24Å; L258-Y319 HydrophobicContact CD1-CD1 3.64Å; L258-Y319 HydrophobicContact CD1-CD2 3.86Å; L258-Y319 HydrophobicContact CD1-CE1 4.04Å; L258-Y319 HydrophobicContact CD1-CE2 4.24Å; L258-Y319 HydrophobicContact CD1-CG 3.55Å; V260-Y319 HydrophobicContact CG1-CE1 4.16Å; T264-Y319 WeakPolarHBondContact CG2-OH 3.4Å; F266-Y319 AromaticContact CE1-CE2 3.94Å; F266-Y319 HydrophobicContact CE1-CE2 3.94Å; F266-Y319 HydrophobicContact CZ-CE2 4.08Å; V278-Y319 HydrophobicContact CG2-CE2 4.01Å; V315-Y319 HydrophobicContact CG1-CD2 4.13Å; V315-Y319 PolarHBondContact O-N 3.27Å; N316-Y319 CarbonylContact O-C 3.57Å; Y319-E321 VanDerWaalsContact C-N 3.28Å; Y319-E321 PolarHBondContact O-N 3.11Å; Y319-V322 PolarHBondContact O-N 3.39Å; Y319-V322 VanDerWaalsContact O-N 3.14Å
320P96.6Very high97.3Very high56 Ų5645.1 Ų45.136%0.36422%0.221SC..THydrogen-bonded Turntrans-62.8-27.3-165.423.9-34.8000115.1A146 N316 N323A146-P320 HydrophobicContact CB-CG 4.32Å; N316-P320 WeakPolarHBondContact O-CA 3.28Å; P320-N323 PolarHBondContact O-ND2 2.61Å
321E95.7Very high97.3Very high156 Ų15642.8 Ų42.873%0.72921%0.212SC*.THydrogen-bonded Turntrans-82-15.2-178.5-60.4-58142.100113.1Y319 N323Y319-E321 VanDerWaalsContact C-N 3.28Å; Y319-E321 PolarHBondContact O-N 3.11Å; E321-N323 PolarHBondContact O-ND2 3.43Å; E321-N323 VanDerWaalsContact O-ND2 3.13Å
322V97Very high97.4Very high26 Ų2643 Ų4316%0.15821%0.214CC..THydrogen-bonded Turntrans-77.3-36.7-173.7-175.40000112Q144 K257 L258 Y319 L324Q144-V322 HydrophobicContact CB-CG2 4.21Å; Q144-V322 HydrophobicContact CG-CG2 4.31Å; K257-V322 VanDerWaalsContact O-CG1 3.31Å; K257-V322 WeakPolarHBondContact O-CG1 3.46Å; L258-V322 HydrophobicContact CD1-CG2 4.21Å; Y319-V322 PolarHBondContact O-N 3.39Å; Y319-V322 VanDerWaalsContact O-N 3.14Å; V322-L324 HydrophobicContact CB-CG 4.41Å; V322-L324 HydrophobicContact CG1-CD1 4.23Å; V322-L324 HydrophobicContact CG1-CD2 3.43Å; V322-L324 VanDerWaalsContact CG1-CD2 3.43Å; V322-L324 HydrophobicContact CG1-CG 3.53Å; V322-L324 PolarHBondContact O-N 3.03Å
323N96.4Very high97.4Very high109 Ų10943.3 Ų43.358%0.58321%0.214SC*.  trans52.547.7177.1-61.9-71.1000114.2P320 E321P320-N323 PolarHBondContact O-ND2 2.61Å; E321-N323 PolarHBondContact O-ND2 3.43Å; E321-N323 VanDerWaalsContact O-ND2 3.13Å
324L98.1Very high97.4Very high5 Ų538.5 Ų38.53%0.02619%0.194CC..  trans-62.8139.5178.5-61.6175.7000111.7V253 K257 L258 F287 L312 V315 N316 V322 D328V253-L324 HydrophobicContact CG1-CD1 4.32Å; V253-L324 HydrophobicContact CG1-CD2 4.36Å; V253-L324 HydrophobicContact CG2-CD1 4.41Å; K257-L324 HydrophobicContact CB-CD2 4.16Å; L258-L324 HydrophobicContact CB-CD1 4.49Å; L258-L324 HydrophobicContact CD2-CD1 4.18Å; F287-L324 HydrophobicContact CE1-CD1 4.1Å; F287-L324 HydrophobicContact CZ-CD1 4.31Å; L312-L324 HydrophobicContact CD2-CB 3.77Å; V315-L324 HydrophobicContact CG1-CD1 3.71Å; N316-L324 PolarHBondContact ND2-O 3.3Å; N316-L324 PolarHBondContact OD1-N 3.24Å; V322-L324 HydrophobicContact CB-CG 4.41Å; V322-L324 HydrophobicContact CG1-CD1 4.23Å; V322-L324 HydrophobicContact CG1-CD2 3.43Å; V322-L324 VanDerWaalsContact CG1-CD2 3.43Å; V322-L324 HydrophobicContact CG1-CG 3.53Å; V322-L324 PolarHBondContact O-N 3.03Å; L324-D328 HydrophobicContact CD2-CB 4.03Å
325T97.8Very high97.4Very high66 Ų6638.6 Ų38.641%0.40520%0.195SC..  trans-124.5173.4176.167.40000109.8E327 D328T325-E327 PolarHBondContact O-N 3.33Å; T325-E327 PolarHBondContact OG1-N 3.08Å; T325-D328 PolarHBondContact N-OD2 2.93Å; T325-D328 WeakPolarHBondContact O-CB 3.38Å; T325-D328 PolarHBondContact O-N 2.79Å; T325-D328 PolarHBondContact OG1-OD2 3.29Å
326I97.3Very high97.3Very high25 Ų2538.8 Ų38.813%0.12820%0.196CC..G310 helixtrans-60-29.2174.8-166.3169.8000112.2V308 D328 I329 L589 K590V308-I326 HydrophobicContact CG1-CB 4.27Å; V308-I326 HydrophobicContact CG1-CD1 4.16Å; V308-I326 HydrophobicContact CG1-CG1 4.07Å; I326-D328 PolarHBondContact O-N 2.69Å; I326-I329 WeakPolarHBondContact O-CB 3.24Å; I326-I329 PolarHBondContact O-N 3.47Å; I326-I329 VanDerWaalsContact O-N 3.17Å; I326-L589 HydrophobicContact CD1-CB 3.66Å; I326-K590 HydrophobicContact CD1-CG 4.27Å; I326-K590 HydrophobicContact CG1-CG 3.97Å; I326-K590 HydrophobicContact CG2-CG 4.47Å; I326-K590 WeakPolarHBondContact O-CE 3.11Å
327E97Very high97Very high113 Ų11338 Ų3853%0.52819%0.19SC..G310 helixtrans-65.9-21.8177.4-62.8-54121.100112.9T325 I329T325-E327 PolarHBondContact O-N 3.33Å; T325-E327 PolarHBondContact OG1-N 3.08Å; E327-I329 VanDerWaalsContact C-N 3.34Å
328D97.4Very high96.8Very high29 Ų2934 Ų3416%0.15518%0.177CC..G310 helixtrans-82.7-14.4178.6-57.4-64.9000113.1V253 K257 L324 T325 I326 E330V253-D328 HydrophobicContact CG1-CB 4.42Å; K257-D328 HydrophobicContact CD-CB 4.07Å; K257-D328 WeakPolarHBondContact CE-OD1 3.44Å; K257-D328 IonicContact NZ-OD1 3.97Å; K257-D328 PolarHBondContact NZ-OD1 3.14Å; L324-D328 HydrophobicContact CD2-CB 4.03Å; T325-D328 PolarHBondContact N-OD2 2.93Å; T325-D328 WeakPolarHBondContact O-CB 3.38Å; T325-D328 PolarHBondContact O-N 2.79Å; T325-D328 PolarHBondContact OG1-OD2 3.29Å; I326-D328 PolarHBondContact O-N 2.69Å; D328-E330 PolarHBondContact O-N 2.74Å
329I97.7Very high96.3Very high1 Ų134 Ų341%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-73.6121.8-179-53.9-48.9000110.1L251 V252 V253 F287 L312 I326 E327 A331 L586 K590L251-I329 HydrophobicContact CB-CD1 3.95Å; L251-I329 HydrophobicContact CB-CG2 4.37Å; L251-I329 HydrophobicContact CD1-CD1 4.06Å; L251-I329 HydrophobicContact CD1-CG1 4.42Å; L251-I329 HydrophobicContact CD2-CG2 4.3Å; V252-I329 CarbonylContact O-C 3.16Å; V252-I329 WeakPolarHBondContact O-CA 3.39Å; V253-I329 HydrophobicContact CG1-CD1 3.59Å; F287-I329 HydrophobicContact CZ-CD1 4.04Å; L312-I329 HydrophobicContact CD2-CD1 4.15Å; I326-I329 WeakPolarHBondContact O-CB 3.24Å; I326-I329 PolarHBondContact O-N 3.47Å; I326-I329 VanDerWaalsContact O-N 3.17Å; E327-I329 VanDerWaalsContact C-N 3.34Å; I329-A331 WeakPolarHBondContact CG2-O 3.43Å; I329-L586 HydrophobicContact CB-CD1 4.5Å; I329-L586 HydrophobicContact CG2-CD1 3.91Å; I329-L586 HydrophobicContact CG2-CG 4.49Å; I329-K590 PolarHBondContact O-NZ 2.69Å
330E97.2Very high95.6Very high48 Ų4835 Ų3522%0.22418%0.183CC..EExtended strand (participates in β ladder)trans-99-29178.3-65.5-169.4-175.100113.5V252 D254 K284 D328 S545 Q585V252-E330 PolarHBondContact O-N 2.68Å; D254-E330 WeakPolarHBondContact CB-OE1 3.27Å; K284-E330 WeakPolarHBondContact CE-OE2 3.38Å; K284-E330 IonicContact NZ-OE1 2.68Å; K284-E330 PolarHBondContact NZ-OE1 2.84Å; K284-E330 IonicContact NZ-OE2 3.25Å; K284-E330 PolarHBondContact NZ-OE2 3.2Å; D328-E330 PolarHBondContact O-N 2.74Å; E330-S545 PolarHBondContact OE2-OG 2.75Å; E330-Q585 WeakPolarHBondContact O-CG 3.15Å
331A98.1Very high94.3Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-151.1157.9177.500000110.2V252 I329 L542 T584V252-A331 HydrophobicContact CB-CB 3.9Å; V252-A331 WeakPolarHBondContact CB-O 3.49Å; V252-A331 HydrophobicContact CG2-CB 3.86Å; V252-A331 WeakPolarHBondContact CG2-O 3.12Å; V252-A331 PolarHBondContact N-O 2.75Å; I329-A331 WeakPolarHBondContact CG2-O 3.43Å; A331-L542 HydrophobicContact CB-CD2 4.32Å; A331-T584 CarbonylContact C-O 3.31Å; A331-T584 VanDerWaalsContact C-O 3.26Å; A331-T584 VanDerWaalsContact CA-O 3.23Å; A331-T584 WeakPolarHBondContact CA-O 3.39Å; A331-T584 HydrophobicContact CB-CG2 3.55Å
332A98.3Very high92.4Very high5 Ų535.9 Ų35.94%0.04119%0.189CC..EExtended strand (participates in β ladder)trans-155.4155.9177.900000109.9H250 L251 V303 T584 L586H250-A332 VanDerWaalsContact O-CA 3.28Å; H250-A332 WeakPolarHBondContact O-CA 3.34Å; L251-A332 HydrophobicContact CD2-CB 3.68Å; V303-A332 HydrophobicContact CG2-CB 4.1Å; A332-T584 PolarHBondContact N-O 3.36Å; A332-L586 HydrophobicContact CB-CD1 3.99Å; A332-L586 HydrophobicContact CB-CD2 3.78Å; A332-L586 HydrophobicContact CB-CG 3.86Å
333W98.4Very high90.2Very high21 Ų2135 Ų358%0.0819%0.185CC..EExtended strand (participates in β ladder)trans-145.8155.6169.669.587.5000111R50 S51 K53 V249 H250 V252 Y286 L542 F543R50-W333 PolarHBondContact O-NE1 3.33Å; S51-W333 WeakPolarHBondContact O-CZ2 3.41Å; S51-W333 PolarHBondContact O-NE1 2.86Å; K53-W333 HydrophobicContact CD-CH2 3.99Å; K53-W333 HydrophobicContact CD-CZ2 3.84Å; V249-W333 WeakPolarHBondContact CA-O 3.5Å; H250-W333 HydrophobicContact CB-CD2 3.83Å; H250-W333 VanDerWaalsContact CB-CE2 3.4Å; H250-W333 HydrophobicContact CB-CE3 4.05Å; H250-W333 HydrophobicContact CB-CH2 3.55Å; H250-W333 HydrophobicContact CB-CZ2 3.27Å; H250-W333 HydrophobicContact CB-CZ3 3.92Å; H250-W333 AromaticContact CD2-CZ2 3.76Å; H250-W333 AromaticContact CE1-NE1 3.86Å; H250-W333 AromaticContact CG-CE2 3.5Å; H250-W333 VanDerWaalsContact CG-CE2 3.5Å; H250-W333 AromaticContact CG-CZ2 3.29Å; H250-W333 AromaticContact CG-NE1 3.66Å; H250-W333 PolarHBondContact N-O 3.23Å; H250-W333 AromaticContact ND1-CD1 3.95Å; H250-W333 AromaticContact ND1-CE2 3.5Å; H250-W333 AromaticContact ND1-CZ2 3.7Å; H250-W333 AromaticContact ND1-NE1 3.11Å; H250-W333 PolarHBondContact ND1-NE1 2.82Å; H250-W333 VanDerWaalsContact ND1-NE1 3.11Å; H250-W333 PolarHBondContact O-N 3.44Å; H250-W333 VanDerWaalsContact O-N 3.13Å; V252-W333 HydrophobicContact CG2-CE3 4.34Å; V252-W333 HydrophobicContact CG2-CZ3 3.67Å; Y286-W333 AromaticContact CD2-CH2 3.5Å; Y286-W333 HydrophobicContact CD2-CH2 3.5Å; Y286-W333 HydrophobicContact CD2-CZ2 4.18Å; Y286-W333 HydrophobicContact CD2-CZ3 4.47Å; Y286-W333 AromaticContact CE2-CH2 3.95Å; Y286-W333 HydrophobicContact CE2-CH2 3.95Å; Y286-W333 HydrophobicContact CE2-CZ2 4.31Å; Y286-W333 AromaticContact CG-CH2 3.97Å; Y286-W333 HydrophobicContact CG-CH2 3.97Å; W333-L542 HydrophobicContact CE3-CD1 4.24Å; W333-L542 HydrophobicContact CE3-CD2 4.18Å; W333-F543 HydrophobicContact CH2-CZ 4.16Å; W333-F543 HydrophobicContact CZ3-CE1 4.39Å; W333-F543 HydrophobicContact CZ3-CZ 4.17Å
334A97.9Very high87.8Confident3 Ų331.2 Ų31.23%0.02517%0.171CC..EExtended strand (participates in β ladder)trans-127136.9173.100000110.2R50 K247 G248 V249 P301 V303R50-A334 WeakPolarHBondContact CD-O 3.33Å; R50-A334 PolarHBondContact NH1-O 2.94Å; K247-A334 HydrophobicContact CD-CB 4.33Å; K247-A334 HydrophobicContact CG-CB 4.32Å; G248-A334 WeakPolarHBondContact O-CA 3.18Å; V249-A334 HydrophobicContact CG2-CB 3.89Å; P301-A334 HydrophobicContact CB-CB 4.4Å; P301-A334 WeakPolarHBondContact CG-O 3.44Å; P301-A334 WeakPolarHBondContact O-CB 3.46Å; V303-A334 HydrophobicContact CG2-CB 4.13Å
335G97Very high85.5Confident4 Ų431.8 Ų31.84%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-130.9157.9177.200000112.4K247 G248K247-G335 CarbonylContact C-O 3.56Å; K247-G335 WeakPolarHBondContact CA-O 3.19Å; G248-G335 PolarHBondContact N-O 2.82Å; G248-G335 PolarHBondContact O-N 2.98Å
336L95.6Very high83.4Confident3 Ų329.5 Ų29.52%0.01616%0.16CC..EExtended strand (participates in β ladder)trans-105.7117.6177.1-59.3-176.2000110.6T47 P225 P245 T246 K247 Y294 Y298 P301T47-L336 WeakPolarHBondContact CB-O 2.99Å; T47-L336 WeakPolarHBondContact CG2-O 3.28Å; T47-L336 PolarHBondContact OG1-O 2.94Å; P225-L336 HydrophobicContact CB-CB 4.15Å; P225-L336 HydrophobicContact CG-CB 4.08Å; P245-L336 HydrophobicContact CB-CB 4.3Å; T246-L336 CarbonylContact O-C 3.54Å; T246-L336 WeakPolarHBondContact O-CA 3.37Å; K247-L336 HydrophobicContact CB-CD2 3.99Å; K247-L336 HydrophobicContact CG-CD2 4.34Å; Y294-L336 HydrophobicContact CD1-CD1 3.72Å; Y294-L336 HydrophobicContact CD1-CD2 3.51Å; Y294-L336 HydrophobicContact CD1-CG 4.27Å; Y294-L336 HydrophobicContact CD2-CD2 4.05Å; Y294-L336 HydrophobicContact CE1-CD1 3.84Å; Y294-L336 HydrophobicContact CE1-CD2 4.02Å; Y294-L336 HydrophobicContact CG-CD2 3.51Å; Y298-L336 HydrophobicContact CD1-CD1 3.74Å; Y298-L336 HydrophobicContact CD2-CD1 4.23Å; Y298-L336 HydrophobicContact CE1-CD1 4.28Å; Y298-L336 HydrophobicContact CG-CD1 3.7Å; P301-L336 HydrophobicContact CB-CD2 3.91Å; P301-L336 HydrophobicContact CB-CG 4.04Å; P301-L336 HydrophobicContact CG-CD2 4.47Å; P301-L336 HydrophobicContact CG-CG 4.11Å
337R92.7Very high81.3Confident24 Ų2430.9 Ų30.99%0.09117%0.165CC..EExtended strand (participates in β ladder)trans-72.6128.9175.9-60.2-176.8-175.383.76109.5P245 T246 K247 T289 T290 D291 L339 Y347P245-R337 WeakPolarHBondContact CA-O 3.45Å; T246-R337 PolarHBondContact N-O 2.84Å; T246-R337 PolarHBondContact O-N 3.47Å; T246-R337 PolarHBondContact OG1-NH1 2.97Å; K247-R337 PolarHBondContact O-NH1 3.4Å; T289-R337 PolarHBondContact OG1-NH2 3.4Å; T289-R337 VanDerWaalsContact OG1-NH2 3.11Å; T290-R337 PolarHBondContact O-NH1 2.6Å; T290-R337 VanDerWaalsContact O-NH1 3.1Å; T290-R337 PolarHBondContact O-NH2 3.4Å; D291-R337 IonicContact OD1-NH1 3.12Å; D291-R337 PolarHBondContact OD1-NH1 3.49Å; R337-L339 HydrophobicContact CB-CD2 3.76Å; R337-L339 HydrophobicContact CB-CG 4.19Å; R337-L339 PolarHBondContact O-N 3.16Å; R337-Y347 HydrophobicContact CB-CD2 4.42Å; R337-Y347 HydrophobicContact CB-CE2 4.3Å
338P91.6Very high78.8Confident14 Ų1425.8 Ų25.89%0.09114%0.141CC..  trans-80.665.4-179.634.6-36.4000111M243 G417M243-P338 VanDerWaalsContact CE-CA 3.5Å; M243-P338 HydrophobicContact CE-CB 3.54Å; M243-P338 WeakPolarHBondContact CE-O 3.28Å; P338-G417 VanDerWaalsContact O-CA 3.31Å; P338-G417 WeakPolarHBondContact O-CA 3.22Å
339L87Confident76.2Confident6 Ų625.6 Ų25.63%0.03115%0.146CC..  trans-72.4144.4-179.9-42.4-175.3000111.1M243 R244 T246 R337 Y347M243-L339 CarbonylContact C-O 3.57Å; M243-L339 WeakPolarHBondContact CA-O 3.39Å; R244-L339 PolarHBondContact N-O 3.44Å; R244-L339 WeakPolarHBondContact O-CB 3.34Å; T246-L339 HydrophobicContact CG2-CD1 3.57Å; T246-L339 HydrophobicContact CG2-CG 4.44Å; R337-L339 HydrophobicContact CB-CD2 3.76Å; R337-L339 HydrophobicContact CB-CG 4.19Å; R337-L339 PolarHBondContact O-N 3.16Å; L339-Y347 HydrophobicContact CD2-CD2 3.33Å; L339-Y347 HydrophobicContact CD2-CE2 3.16Å
340I83Confident73.5Confident22 Ų2226.9 Ų26.911%0.11315%0.154CC..BIsolated β-bridgetrans-86.7136.7168.7-57174.1000107.6H242 E342 A343 D404H242-I340 CarbonylContact O-C 3.48Å; H242-I340 WeakPolarHBondContact O-CA 3.37Å; I340-E342 PolarHBondContact O-N 3.1Å; I340-E342 VanDerWaalsContact O-N 3.15Å; I340-A343 HydrophobicContact CB-CB 4.24Å; I340-A343 CarbonylContact O-C 3.48Å; I340-A343 WeakPolarHBondContact O-CA 3.38Å; I340-A343 WeakPolarHBondContact O-CB 3.44Å; I340-A343 PolarHBondContact O-N 2.81Å; I340-D404 HydrophobicContact CD1-CB 3.59Å
341S70Confident70.7Confident67 Ų6730.9 Ų30.947%0.46918%0.182SC..THydrogen-bonded Turntrans-58.5-27.8-171.254.50000115.2H242H242-S341 WeakPolarHBondContact O-CB 3.47Å; H242-S341 PolarHBondContact O-N 2.81Å; H242-S341 PolarHBondContact O-OG 2.79Å
342E55.3Low68.1Low163 Ų16333.7 Ų33.776%0.76219%0.194SC*.THydrogen-bonded Turntrans-87.3-12.7173.2-63.9-170.6170.500113.1I340I340-E342 PolarHBondContact O-N 3.1Å; I340-E342 VanDerWaalsContact O-N 3.15Å
343A51.4Low65.5Low8 Ų841 Ų417%0.06623%0.227CC..SBendtrans-87.8126.817000000109I340 V399I340-A343 HydrophobicContact CB-CB 4.24Å; I340-A343 CarbonylContact O-C 3.48Å; I340-A343 WeakPolarHBondContact O-CA 3.38Å; I340-A343 WeakPolarHBondContact O-CB 3.44Å; I340-A343 PolarHBondContact O-N 2.81Å; A343-V399 HydrophobicContact CB-CG1 3.68Å
344G45.8Very low63.2Low28 Ų2847.3 Ų47.329%0.28926%0.255SS..  trans-56.4171.8169.300000111.5D346G344-D346 PolarHBondContact O-N 3.24Å
345S49Very low61.5Low17 Ų1747.8 Ų47.812%0.11926%0.257CS..  trans-69.476.3168.650.90000110.1Y347 T350S345-Y347 PolarHBondContact O-N 3.36Å; S345-T350 PolarHBondContact O-OG1 2.87Å; S345-T350 PolarHBondContact OG-OG1 3.22Å
346D54.5Low59.9Low18 Ų1849.8 Ų49.810%0.09627%0.27CS..G310 helixtrans-70-21.4-171.5-79.3-7.3000112.2Y61 G344 N348 G349Y61-D346 VanDerWaalsContact CE1-O 3.25Å; Y61-D346 WeakPolarHBondContact CE1-O 3.12Å; Y61-D346 VanDerWaalsContact CZ-O 3.31Å; Y61-D346 PolarHBondContact OH-O 3.1Å; G344-D346 PolarHBondContact O-N 3.24Å; D346-N348 PolarHBondContact O-N 2.88Å; D346-G349 PolarHBondContact O-N 3.08Å; D346-G349 VanDerWaalsContact O-N 3.08Å
347Y51.7Low58.7Low55 Ų5554.8 Ų54.822%0.21630%0.297CS..G310 helixtrans-64.4-23.7-177-67.2-97.5000113.6R337 L339 S345 G418 K419R337-Y347 HydrophobicContact CB-CD2 4.42Å; R337-Y347 HydrophobicContact CB-CE2 4.3Å; L339-Y347 HydrophobicContact CD2-CD2 3.33Å; L339-Y347 HydrophobicContact CD2-CE2 3.16Å; S345-Y347 PolarHBondContact O-N 3.36Å; Y347-G418 PolarHBondContact OH-O 2.98Å; Y347-K419 HydrophobicContact CD1-CD 4.23Å; Y347-K419 HydrophobicContact CD1-CG 4.29Å; Y347-K419 HydrophobicContact CE1-CB 4.23Å; Y347-K419 HydrophobicContact CE1-CD 3.99Å; Y347-K419 HydrophobicContact CE1-CG 3.55Å
348N46.4Very low57.8Low6 Ų660 Ų603%0.03232%0.322CS..G310 helixtrans-118.721.4174-66.7-45.4000112.2R60 R274 D291 D346 T350R60-N348 PolarHBondContact NH1-O 2.86Å; R60-N348 PolarHBondContact NH2-O 3.44Å; R274-N348 PolarHBondContact NH2-ND2 3.16Å; R274-N348 VanDerWaalsContact NH2-ND2 3.17Å; D291-N348 WeakPolarHBondContact CB-ND2 3.27Å; D291-N348 PolarHBondContact OD2-ND2 3.1Å; D346-N348 PolarHBondContact O-N 2.88Å; N348-T350 PolarHBondContact O-N 3.15Å; N348-T350 VanDerWaalsContact O-N 3.11Å
349G42.6Very low56.9Low25 Ų2559.7 Ų59.726%0.25832%0.32SS..THydrogen-bonded Turntrans54.133.2173.400000115.5R60 D346R60-G349 VanDerWaalsContact NH2-C 3.29Å; R60-G349 PolarHBondContact NH2-O 3.15Å; D346-G349 PolarHBondContact O-N 3.08Å; D346-G349 VanDerWaalsContact O-N 3.08Å
350T40.6Very low56.2Low28 Ų2860.6 Ų60.617%0.17232%0.324CS..  trans-92.1128.1178.736.70000111.1R274 S345 N348R274-T350 HydrophobicContact CG-CG2 4.33Å; S345-T350 PolarHBondContact O-OG1 2.87Å; S345-T350 PolarHBondContact OG-OG1 3.22Å; N348-T350 PolarHBondContact O-N 3.15Å; N348-T350 VanDerWaalsContact O-N 3.11Å
351T38.9Very low56Low132 Ų13265.9 Ų65.981%0.8135%0.346SS*.  trans54.654.4168490000117.8
352K42.5Very low56.6Low59 Ų5966 Ų6626%0.25734%0.338SS..SBendtrans-82148.4136.3-78.9-172.9-177.7175.30108.6D66 K354D66-K352 IonicContact OD1-NZ 3.85Å; D66-K352 PolarHBondContact OD1-NZ 3.39Å; D66-K352 VanDerWaalsContact OD1-NZ 3.12Å; D66-K352 IonicContact OD2-NZ 2.79Å; D66-K352 PolarHBondContact OD2-NZ 3.17Å; D66-K352 VanDerWaalsContact OD2-NZ 3.12Å; K352-K354 PolarHBondContact O-N 3.48Å
353E43.3Very low57.8Low157 Ų15758.8 Ų58.873%0.73430%0.304SS*.  trans-54.5109.4166.6-70-171155.200107I355 P392E353-I355 PolarHBondContact O-N 2.9Å; E353-P392 WeakPolarHBondContact OE2-CG 3.37Å
354K50.6Low59.1Low155 Ų15559.3 Ų59.367%0.67431%0.306SS*.  trans-62.8137.8-177.8-64.8177.1178.7179.40106.7K352 S356K352-K354 PolarHBondContact O-N 3.48Å; K354-S356 PolarHBondContact O-N 3.27Å; K354-S356 VanDerWaalsContact O-N 3.08Å
355I61.2Low60.9Low13 Ų1362 Ų627%0.06731%0.314CS..  trans-45.9126.2155.3-172.7170.3000106.8E353 D357 N359 F360 I363 A387 E391E353-I355 PolarHBondContact O-N 2.9Å; I355-D357 PolarHBondContact O-N 3.29Å; I355-N359 HydrophobicContact CD1-CB 3.87Å; I355-N359 HydrophobicContact CG1-CB 3.43Å; I355-N359 VanDerWaalsContact CG1-CB 3.43Å; I355-F360 HydrophobicContact CG2-CB 4.06Å; I355-F360 HydrophobicContact CG2-CD2 3.93Å; I355-F360 HydrophobicContact CG2-CG 4.44Å; I355-I363 HydrophobicContact CD1-CD1 3.47Å; I355-I363 VanDerWaalsContact CD1-CD1 3.47Å; I355-A387 HydrophobicContact CD1-CB 4.5Å; I355-E391 WeakPolarHBondContact CA-OE1 3.38Å; I355-E391 HydrophobicContact CG1-CG 4.4Å
356S65.2Low62.6Low45 Ų4561.3 Ų61.332%0.31531%0.309SS..  trans-54.6144.1-173.2660000109.5K354 E358 N359 F360 E391K354-S356 PolarHBondContact O-N 3.27Å; K354-S356 VanDerWaalsContact O-N 3.08Å; S356-E358 CarbonylContact O-C 3.59Å; S356-E358 PolarHBondContact O-N 2.96Å; S356-N359 WeakPolarHBondContact O-CA 3.38Å; S356-N359 PolarHBondContact O-N 3.25Å; S356-N359 WeakPolarHBondContact OG-CB 3.37Å; S356-N359 VanDerWaalsContact OG-CG 3.24Å; S356-N359 PolarHBondContact OG-N 3.49Å; S356-N359 VanDerWaalsContact OG-N 3.11Å; S356-N359 PolarHBondContact OG-ND2 3.16Å; S356-F360 PolarHBondContact O-N 3.34Å; S356-E391 PolarHBondContact N-OE1 3.08Å
357D69.2Low63.7Low108 Ų10861.9 Ų61.958%0.57832%0.316SS*.Hα-helixtrans-53.1-28.2177.8-77.8-26.1000111.4I355 K361I355-D357 PolarHBondContact O-N 3.29Å; D357-K361 VanDerWaalsContact O-CB 3.28Å; D357-K361 WeakPolarHBondContact O-CB 3.44Å; D357-K361 WeakPolarHBondContact O-CD 3.37Å; D357-K361 WeakPolarHBondContact O-CG 3.24Å; D357-K361 PolarHBondContact O-N 2.92Å
358E73.8Confident65.1Low134 Ų13462.2 Ų62.263%0.62632%0.32SS*.Hα-helixtrans-66.2-50.5172.2-167.1179.816000112.3S356 K361 K362S356-E358 CarbonylContact O-C 3.59Å; S356-E358 PolarHBondContact O-N 2.96Å; E358-K361 WeakPolarHBondContact O-CB 3.47Å; E358-K361 PolarHBondContact O-N 3.16Å; E358-K362 WeakPolarHBondContact O-CG 3.33Å; E358-K362 PolarHBondContact O-N 2.78Å
359N73.9Confident66.9Low7 Ų764.1 Ų64.14%0.03733%0.33CS..Hα-helixtrans-65.7-39.8177.4-76.1-15.6000112.4I355 S356 K361 K362 I363 A387 E390 E391I355-N359 HydrophobicContact CD1-CB 3.87Å; I355-N359 HydrophobicContact CG1-CB 3.43Å; I355-N359 VanDerWaalsContact CG1-CB 3.43Å; S356-N359 WeakPolarHBondContact O-CA 3.38Å; S356-N359 PolarHBondContact O-N 3.25Å; S356-N359 WeakPolarHBondContact OG-CB 3.37Å; S356-N359 VanDerWaalsContact OG-CG 3.24Å; S356-N359 PolarHBondContact OG-N 3.49Å; S356-N359 VanDerWaalsContact OG-N 3.11Å; S356-N359 PolarHBondContact OG-ND2 3.16Å; N359-K361 VanDerWaalsContact C-N 3.35Å; N359-K361 PolarHBondContact O-N 3.4Å; N359-K362 WeakPolarHBondContact O-CB 3.49Å; N359-K362 PolarHBondContact O-N 3.16Å; N359-K362 PolarHBondContact OD1-NZ 2.97Å; N359-I363 WeakPolarHBondContact O-CG1 3.43Å; N359-I363 PolarHBondContact O-N 3.09Å; N359-A387 HydrophobicContact CB-CB 4.22Å; N359-E390 PolarHBondContact OD1-OE2 3.45Å; N359-E391 PolarHBondContact ND2-OE1 2.95Å
360F71.7Confident68.9Low25 Ų2568.8 Ų68.811%0.1134%0.341CS..Hα-helixtrans-60.8-45.2172.6-165.5-102.6000111.2K63 I355 S356 K362 I363 I364K63-F360 HydrophobicContact CD-CZ 4.4Å; I355-F360 HydrophobicContact CG2-CB 4.06Å; I355-F360 HydrophobicContact CG2-CD2 3.93Å; I355-F360 HydrophobicContact CG2-CG 4.44Å; S356-F360 PolarHBondContact O-N 3.34Å; F360-K362 VanDerWaalsContact C-N 3.33Å; F360-K362 PolarHBondContact O-N 2.92Å; F360-I363 PolarHBondContact O-N 2.84Å; F360-I364 HydrophobicContact CD1-CG1 3.89Å; F360-I364 HydrophobicContact CE1-CD1 3.97Å; F360-I364 HydrophobicContact CE1-CG1 3.65Å; F360-I364 HydrophobicContact CZ-CD1 4.13Å; F360-I364 HydrophobicContact CZ-CG1 4.2Å; F360-I364 WeakPolarHBondContact O-CB 3.43Å; F360-I364 VanDerWaalsContact O-CG1 3.32Å; F360-I364 WeakPolarHBondContact O-CG1 3.24Å; F360-I364 PolarHBondContact O-N 3.18Å
361K78.9Confident70.7Confident133 Ų13371.5 Ų71.558%0.57837%0.366SS*.Hα-helixtrans-60.8-38.6173.7-80172.1-177.5172.90112.5D357 E358 N359 I364 N365D357-K361 VanDerWaalsContact O-CB 3.28Å; D357-K361 WeakPolarHBondContact O-CB 3.44Å; D357-K361 WeakPolarHBondContact O-CD 3.37Å; D357-K361 WeakPolarHBondContact O-CG 3.24Å; D357-K361 PolarHBondContact O-N 2.92Å; E358-K361 WeakPolarHBondContact O-CB 3.47Å; E358-K361 PolarHBondContact O-N 3.16Å; N359-K361 VanDerWaalsContact C-N 3.35Å; N359-K361 PolarHBondContact O-N 3.4Å; K361-I364 PolarHBondContact O-N 3.2Å; K361-N365 VanDerWaalsContact O-CB 3.31Å; K361-N365 WeakPolarHBondContact O-CB 3.37Å; K361-N365 PolarHBondContact O-N 2.89Å; K361-N365 PolarHBondContact O-ND2 3.3Å; K361-N365 PolarHBondContact O-OD1 3.47Å
362K81.6Confident72.9Confident69 Ų6970.5 Ų70.530%0.336%0.356SS..Hα-helixtrans-59.7-45.6174.2-72174.4-169.8160.60111.1E358 N359 F360 N365 A366 T383 E390E358-K362 WeakPolarHBondContact O-CG 3.33Å; E358-K362 PolarHBondContact O-N 2.78Å; N359-K362 WeakPolarHBondContact O-CB 3.49Å; N359-K362 PolarHBondContact O-N 3.16Å; N359-K362 PolarHBondContact OD1-NZ 2.97Å; F360-K362 VanDerWaalsContact C-N 3.33Å; F360-K362 PolarHBondContact O-N 2.92Å; K362-N365 PolarHBondContact O-N 3.13Å; K362-A366 WeakPolarHBondContact O-CB 3.31Å; K362-A366 PolarHBondContact O-N 2.79Å; K362-T383 HydrophobicContact CB-CG2 4.37Å; K362-E390 IonicContact NZ-OE2 3.44Å; K362-E390 PolarHBondContact NZ-OE2 2.9Å
363I80.9Confident74.9Confident12 Ų1271 Ų716%0.06238%0.377CS..Hα-helixtrans-63.2-47.1177.8-67174.7000110.8F65 I355 N359 F360 A366 A367 I384 A387F65-I363 HydrophobicContact CD2-CD1 4.28Å; F65-I363 HydrophobicContact CE2-CD1 4.25Å; F65-I363 HydrophobicContact CE2-CG2 4.22Å; F65-I363 HydrophobicContact CG-CD1 4.42Å; F65-I363 HydrophobicContact CZ-CD1 4.37Å; I355-I363 HydrophobicContact CD1-CD1 3.47Å; I355-I363 VanDerWaalsContact CD1-CD1 3.47Å; N359-I363 WeakPolarHBondContact O-CG1 3.43Å; N359-I363 PolarHBondContact O-N 3.09Å; F360-I363 PolarHBondContact O-N 2.84Å; I363-A366 PolarHBondContact O-N 3.15Å; I363-A367 PolarHBondContact O-N 2.68Å; I363-I384 HydrophobicContact CG1-CG1 4.34Å; I363-I384 HydrophobicContact CG2-CG1 4.1Å; I363-A387 HydrophobicContact CD1-CB 3.96Å; I363-A387 HydrophobicContact CG1-CB 3.9Å
364I79.2Confident76.9Confident19 Ų1970.6 Ų70.610%0.09737%0.374CS..Hα-helixtrans-59.1-48.7177.3-71.8-63.1000111.2F108 V112 F360 K361 A366 A367 E368F108-I364 HydrophobicContact CD1-CG2 3.76Å; F108-I364 HydrophobicContact CE1-CB 4.49Å; F108-I364 HydrophobicContact CE1-CD1 4.14Å; F108-I364 HydrophobicContact CE1-CG2 3.39Å; F108-I364 HydrophobicContact CZ-CG2 4.41Å; V112-I364 HydrophobicContact CB-CD1 4.33Å; V112-I364 HydrophobicContact CG1-CD1 4.13Å; V112-I364 HydrophobicContact CG2-CD1 4.48Å; F360-I364 HydrophobicContact CD1-CG1 3.89Å; F360-I364 HydrophobicContact CE1-CD1 3.97Å; F360-I364 HydrophobicContact CE1-CG1 3.65Å; F360-I364 HydrophobicContact CZ-CD1 4.13Å; F360-I364 HydrophobicContact CZ-CG1 4.2Å; F360-I364 WeakPolarHBondContact O-CB 3.43Å; F360-I364 VanDerWaalsContact O-CG1 3.32Å; F360-I364 WeakPolarHBondContact O-CG1 3.24Å; F360-I364 PolarHBondContact O-N 3.18Å; K361-I364 PolarHBondContact O-N 3.2Å; I364-A366 VanDerWaalsContact C-N 3.31Å; I364-A366 PolarHBondContact O-N 2.66Å; I364-A367 WeakPolarHBondContact O-CB 3.25Å; I364-A367 PolarHBondContact O-N 2.71Å; I364-A367 VanDerWaalsContact O-N 3.16Å; I364-E368 PolarHBondContact O-N 2.61Å
365N83.3Confident78.5Confident84 Ų8465.5 Ų65.545%0.44935%0.352SS..Hα-helixtrans-62.9-38.1178.7-68.7-13.6000111.8K361 K362 E368 D369K361-N365 VanDerWaalsContact O-CB 3.31Å; K361-N365 WeakPolarHBondContact O-CB 3.37Å; K361-N365 PolarHBondContact O-N 2.89Å; K361-N365 PolarHBondContact O-ND2 3.3Å; K361-N365 PolarHBondContact O-OD1 3.47Å; K362-N365 PolarHBondContact O-N 3.13Å; N365-E368 PolarHBondContact O-N 2.84Å; N365-D369 WeakPolarHBondContact O-CB 3.41Å; N365-D369 PolarHBondContact O-N 3.38Å
366A84Confident79.6Confident3 Ų367.4 Ų67.43%0.02537%0.366CS..Hα-helixtrans-64.8-4117500000111.7K362 I363 I364 D369 Y370 V380 T383K362-A366 WeakPolarHBondContact O-CB 3.31Å; K362-A366 PolarHBondContact O-N 2.79Å; I363-A366 PolarHBondContact O-N 3.15Å; I364-A366 VanDerWaalsContact C-N 3.31Å; I364-A366 PolarHBondContact O-N 2.66Å; A366-D369 PolarHBondContact O-N 2.87Å; A366-Y370 WeakPolarHBondContact O-CB 3.38Å; A366-Y370 PolarHBondContact O-N 2.93Å; A366-V380 HydrophobicContact CB-CG1 4.28Å; A366-V380 HydrophobicContact CB-CG2 4.27Å; A366-V380 VanDerWaalsContact O-CG2 3.31Å; A366-V380 WeakPolarHBondContact O-CG2 3.43Å; A366-T383 HydrophobicContact CB-CG2 3.83Å
367A78.6Confident80.2Confident30 Ų3072.8 Ų72.825%0.24838%0.38CS..Hα-helixtrans-65.3-42.5174.500000112.1I363 I364 Y370 A371I363-A367 PolarHBondContact O-N 2.68Å; I364-A367 WeakPolarHBondContact O-CB 3.25Å; I364-A367 PolarHBondContact O-N 2.71Å; I364-A367 VanDerWaalsContact O-N 3.16Å; A367-Y370 PolarHBondContact O-N 2.75Å; A367-A371 WeakPolarHBondContact O-CB 3.35Å; A367-A371 PolarHBondContact O-N 3.41Å
368E79.9Confident80.9Confident63 Ų6371.7 Ų71.729%0.29438%0.379SS..Hα-helixtrans-60.8-46.5173.2-77-175.2174.900111.9F108 I364 N365 Y370 A371 N372F108-E368 WeakPolarHBondContact CD2-OE1 3.46Å; F108-E368 HydrophobicContact CE1-CG 3.75Å; F108-E368 WeakPolarHBondContact CE1-OE1 3.5Å; F108-E368 HydrophobicContact CE2-CG 3.53Å; F108-E368 WeakPolarHBondContact CE2-OE1 3.49Å; F108-E368 HydrophobicContact CZ-CB 4.45Å; F108-E368 HydrophobicContact CZ-CG 3.07Å; F108-E368 WeakPolarHBondContact CZ-OE1 3.33Å; I364-E368 PolarHBondContact O-N 2.61Å; N365-E368 PolarHBondContact O-N 2.84Å; E368-Y370 VanDerWaalsContact C-N 3.31Å; E368-Y370 PolarHBondContact O-N 2.73Å; E368-A371 PolarHBondContact O-N 2.93Å; E368-N372 WeakPolarHBondContact O-CB 3.47Å; E368-N372 VanDerWaalsContact O-CG 3.32Å; E368-N372 PolarHBondContact O-N 3.34Å; E368-N372 PolarHBondContact O-ND2 2.94Å
369D85.5Confident81.3Confident46 Ų4670.1 Ų70.125%0.24637%0.371CS..Hα-helixtrans-63.6-38.9179-83.7-17.9000111.2N365 A366 N372 G373 K374 Q375N365-D369 WeakPolarHBondContact O-CB 3.41Å; N365-D369 PolarHBondContact O-N 3.38Å; A366-D369 PolarHBondContact O-N 2.87Å; D369-N372 CarbonylContact O-C 3.55Å; D369-N372 PolarHBondContact O-N 3.37Å; D369-G373 PolarHBondContact O-N 3.01Å; D369-G373 VanDerWaalsContact O-N 3.11Å; D369-K374 HydrophobicContact CB-CB 4.03Å; D369-K374 WeakPolarHBondContact O-CA 3.19Å; D369-K374 WeakPolarHBondContact O-CB 3.42Å; D369-K374 PolarHBondContact O-N 3.48Å; D369-K374 WeakPolarHBondContact OD1-CD 3.4Å; D369-K374 IonicContact OD1-NZ 2.67Å; D369-Q375 HydrophobicContact CB-CB 4.02Å; D369-Q375 HydrophobicContact CB-CG 3.73Å; D369-Q375 PolarHBondContact O-N 3.09Å; D369-Q375 PolarHBondContact OD2-NE2 3.34Å
370Y83.3Confident81.5Confident122 Ų12270.5 Ų70.548%0.47837%0.374SS..Hα-helixtrans-66.2-45.3173.6174.3-99.8000112.8A366 A367 E368 N372 G373 Q375 R377 V380A366-Y370 WeakPolarHBondContact O-CB 3.38Å; A366-Y370 PolarHBondContact O-N 2.93Å; A367-Y370 PolarHBondContact O-N 2.75Å; E368-Y370 VanDerWaalsContact C-N 3.31Å; E368-Y370 PolarHBondContact O-N 2.73Å; Y370-N372 PolarHBondContact O-N 3.29Å; Y370-G373 PolarHBondContact O-N 3.36Å; Y370-Q375 WeakPolarHBondContact CD2-O 3.49Å; Y370-R377 HydrophobicContact CD2-CB 4.45Å; Y370-R377 HydrophobicContact CE2-CB 3.75Å; Y370-V380 VanDerWaalsContact CB-CG2 3.49Å; Y370-V380 HydrophobicContact CD2-CG2 4.31Å; Y370-V380 HydrophobicContact CG-CG2 4.1Å
371A79Confident81.7Confident85 Ų8573.6 Ų73.670%0.70239%0.389SS*.Hα-helixtrans-59.9-32.8175.500000112.2A367 E368A367-A371 WeakPolarHBondContact O-CB 3.35Å; A367-A371 PolarHBondContact O-N 3.41Å; E368-A371 PolarHBondContact O-N 2.93Å
372N86Confident81.8Confident111 Ų11173.6 Ų73.659%0.59439%0.389SS*.THydrogen-bonded Turntrans-88.15.4176.2-69-55.5000114.2E368 D369 Y370 K374E368-N372 WeakPolarHBondContact O-CB 3.47Å; E368-N372 VanDerWaalsContact O-CG 3.32Å; E368-N372 PolarHBondContact O-N 3.34Å; E368-N372 PolarHBondContact O-ND2 2.94Å; D369-N372 CarbonylContact O-C 3.55Å; D369-N372 PolarHBondContact O-N 3.37Å; Y370-N372 PolarHBondContact O-N 3.29Å; N372-K374 VanDerWaalsContact C-N 3.29Å; N372-K374 HydrophobicContact CB-CD 4.46Å; N372-K374 HydrophobicContact CB-CG 4.4Å; N372-K374 PolarHBondContact O-N 3.43Å
373G83.2Confident81.9Confident69 Ų6972.1 Ų72.171%0.71139%0.385SS*.THydrogen-bonded Turntrans70.316.8178.900000115.6D369 Y370D369-G373 PolarHBondContact O-N 3.01Å; D369-G373 VanDerWaalsContact O-N 3.11Å; Y370-G373 PolarHBondContact O-N 3.36Å
374K86.7Confident81.5Confident150 Ų15073.8 Ų73.865%0.65239%0.394SS*.SBendtrans-89.7-23.1178.9-63.7175.5-176.9169.50113.9D369 N372D369-K374 HydrophobicContact CB-CB 4.03Å; D369-K374 WeakPolarHBondContact O-CA 3.19Å; D369-K374 WeakPolarHBondContact O-CB 3.42Å; D369-K374 PolarHBondContact O-N 3.48Å; D369-K374 WeakPolarHBondContact OD1-CD 3.4Å; D369-K374 IonicContact OD1-NZ 2.67Å; N372-K374 VanDerWaalsContact C-N 3.29Å; N372-K374 HydrophobicContact CB-CD 4.46Å; N372-K374 HydrophobicContact CB-CG 4.4Å; N372-K374 PolarHBondContact O-N 3.43Å
375Q82.5Confident81.1Confident48 Ų4876 Ų7622%0.22441%0.409CS..SBendtrans-124.8147.2174.6-78.4-176.229.200110.6D369 Y370 E379 V380D369-Q375 HydrophobicContact CB-CB 4.02Å; D369-Q375 HydrophobicContact CB-CG 3.73Å; D369-Q375 PolarHBondContact O-N 3.09Å; D369-Q375 PolarHBondContact OD2-NE2 3.34Å; Y370-Q375 WeakPolarHBondContact CD2-O 3.49Å; Q375-E379 HydrophobicContact CB-CB 4.45Å; Q375-V380 HydrophobicContact CB-CG2 4.22Å
376S84.4Confident80.8Confident52 Ų5275 Ų7536%0.36440%0.404SS..  trans-82.815617266.80000111.2P378 E379 V380S376-P378 VanDerWaalsContact C-CD 3.5Å; S376-P378 VanDerWaalsContact C-N 3.34Å; S376-E379 WeakPolarHBondContact CB-OE2 3.47Å; S376-E379 PolarHBondContact N-OE2 2.93Å; S376-E379 WeakPolarHBondContact O-CB 3.34Å; S376-E379 PolarHBondContact O-N 2.91Å; S376-E379 VanDerWaalsContact OG-CD 3.3Å; S376-E379 WeakPolarHBondContact OG-CG 3.38Å; S376-E379 PolarHBondContact OG-OE2 2.9Å; S376-V380 PolarHBondContact O-N 3.03Å
377R79.4Confident80.2Confident158 Ų15875 Ų7560%0.59640%0.403SS*.Hα-helixtrans-51.6-44.4177176.3178.3173.1168.45.1113.3Y370 E379 V380 E381Y370-R377 HydrophobicContact CD2-CB 4.45Å; Y370-R377 HydrophobicContact CE2-CB 3.75Å; R377-E379 VanDerWaalsContact C-N 3.28Å; R377-E379 PolarHBondContact O-N 3.18Å; R377-V380 PolarHBondContact O-N 2.8Å; R377-E381 HydrophobicContact CG-CG 4.36Å; R377-E381 IonicContact CZ-OE1 3.49Å; R377-E381 IonicContact NE-OE1 3.6Å; R377-E381 PolarHBondContact NE-OE1 3.37Å; R377-E381 IonicContact NH2-OE1 3.51Å; R377-E381 PolarHBondContact NH2-OE1 3.03Å; R377-E381 WeakPolarHBondContact O-CG 3.43Å; R377-E381 PolarHBondContact O-N 2.55Å
378P84.2Confident79.3Confident86 Ų8676.2 Ų76.256%0.55841%0.413SS*.Hα-helixtrans-61.7-31.6176.7-24.835.2000114.3S376 K382S376-P378 VanDerWaalsContact C-CD 3.5Å; S376-P378 VanDerWaalsContact C-N 3.34Å; P378-K382 VanDerWaalsContact O-CB 3.3Å; P378-K382 WeakPolarHBondContact O-CB 3.15Å; P378-K382 PolarHBondContact O-N 3.18Å
379E80.9Confident78.5Confident100 Ų10080.3 Ų80.347%0.46743%0.43SS..Hα-helixtrans-71.4-38.3177.1-70.6166.5132.200111.5Q375 S376 R377 K382 T383Q375-E379 HydrophobicContact CB-CB 4.45Å; S376-E379 WeakPolarHBondContact CB-OE2 3.47Å; S376-E379 PolarHBondContact N-OE2 2.93Å; S376-E379 WeakPolarHBondContact O-CB 3.34Å; S376-E379 PolarHBondContact O-N 2.91Å; S376-E379 VanDerWaalsContact OG-CD 3.3Å; S376-E379 WeakPolarHBondContact OG-CG 3.38Å; S376-E379 PolarHBondContact OG-OE2 2.9Å; R377-E379 VanDerWaalsContact C-N 3.28Å; R377-E379 PolarHBondContact O-N 3.18Å; E379-K382 PolarHBondContact O-N 2.67Å; E379-T383 PolarHBondContact O-N 2.7Å; E379-T383 PolarHBondContact O-OG1 2.96Å
380V79.3Confident77.3Confident16 Ų1683.9 Ų83.910%0.09745%0.445CS..Hα-helixtrans-66.7-48173.2179.40000111.3A366 Y370 Q375 S376 R377 K382 T383 I384A366-V380 HydrophobicContact CB-CG1 4.28Å; A366-V380 HydrophobicContact CB-CG2 4.27Å; A366-V380 VanDerWaalsContact O-CG2 3.31Å; A366-V380 WeakPolarHBondContact O-CG2 3.43Å; Y370-V380 VanDerWaalsContact CB-CG2 3.49Å; Y370-V380 HydrophobicContact CD2-CG2 4.31Å; Y370-V380 HydrophobicContact CG-CG2 4.1Å; Q375-V380 HydrophobicContact CB-CG2 4.22Å; S376-V380 PolarHBondContact O-N 3.03Å; R377-V380 PolarHBondContact O-N 2.8Å; V380-K382 PolarHBondContact O-N 2.95Å; V380-T383 PolarHBondContact O-N 3.12Å; V380-I384 HydrophobicContact CG1-CD1 3.79Å; V380-I384 HydrophobicContact CG1-CG1 4.32Å; V380-I384 WeakPolarHBondContact O-CG1 3.42Å; V380-I384 PolarHBondContact O-N 3.1Å
381E75.9Confident75.9Confident90 Ų9080.1 Ų80.142%0.42143%0.432SS..Hα-helixtrans-56.7-40.8176.6-75.3175.4179.700111.1R377 T385R377-E381 HydrophobicContact CG-CG 4.36Å; R377-E381 IonicContact CZ-OE1 3.49Å; R377-E381 IonicContact NE-OE1 3.6Å; R377-E381 PolarHBondContact NE-OE1 3.37Å; R377-E381 IonicContact NH2-OE1 3.51Å; R377-E381 PolarHBondContact NH2-OE1 3.03Å; R377-E381 WeakPolarHBondContact O-CG 3.43Å; R377-E381 PolarHBondContact O-N 2.55Å; E381-T385 WeakPolarHBondContact O-CB 3.38Å; E381-T385 PolarHBondContact O-N 3.01Å; E381-T385 PolarHBondContact O-OG1 2.91Å
382K81Confident74.3Confident132 Ų13279.5 Ų79.557%0.57442%0.421SS*.Hα-helixtrans-63.7-45.9173.9-174.4-177.5175.5-1690112.1P378 E379 V380 I384 T385 D386P378-K382 VanDerWaalsContact O-CB 3.3Å; P378-K382 WeakPolarHBondContact O-CB 3.15Å; P378-K382 PolarHBondContact O-N 3.18Å; E379-K382 PolarHBondContact O-N 2.67Å; V380-K382 PolarHBondContact O-N 2.95Å; K382-I384 VanDerWaalsContact C-N 3.33Å; K382-I384 PolarHBondContact O-N 2.68Å; K382-T385 PolarHBondContact O-N 3.24Å; K382-T385 VanDerWaalsContact O-N 3.15Å; K382-D386 WeakPolarHBondContact CE-OD2 3.35Å; K382-D386 WeakPolarHBondContact O-CB 3.17Å; K382-D386 PolarHBondContact O-N 2.94Å
383T81.9Confident72.1Confident38 Ų3883.5 Ų83.523%0.23343%0.433CS..Hα-helixtrans-61.8-42.2179.5-56.60000111.6K362 A366 E379 V380 T385 D386 A387K362-T383 HydrophobicContact CB-CG2 4.37Å; A366-T383 HydrophobicContact CB-CG2 3.83Å; E379-T383 PolarHBondContact O-N 2.7Å; E379-T383 PolarHBondContact O-OG1 2.96Å; V380-T383 PolarHBondContact O-N 3.12Å; T383-T385 VanDerWaalsContact C-N 3.34Å; T383-D386 PolarHBondContact O-N 3.39Å; T383-A387 VanDerWaalsContact O-CB 3.25Å; T383-A387 WeakPolarHBondContact O-CB 3.35Å; T383-A387 PolarHBondContact O-N 3.31Å
384I73Confident70.1Confident48 Ų4887.8 Ų87.825%0.24644%0.44CS..Hα-helixtrans-61.1-45.8173.9-67.7169.2000110.4F65 I363 V380 K382 A387 A388F65-I384 HydrophobicContact CE1-CG2 3.56Å; F65-I384 HydrophobicContact CZ-CG2 3.52Å; I363-I384 HydrophobicContact CG1-CG1 4.34Å; I363-I384 HydrophobicContact CG2-CG1 4.1Å; V380-I384 HydrophobicContact CG1-CD1 3.79Å; V380-I384 HydrophobicContact CG1-CG1 4.32Å; V380-I384 WeakPolarHBondContact O-CG1 3.42Å; V380-I384 PolarHBondContact O-N 3.1Å; K382-I384 VanDerWaalsContact C-N 3.33Å; K382-I384 PolarHBondContact O-N 2.68Å; I384-A387 PolarHBondContact O-N 3.07Å; I384-A388 WeakPolarHBondContact O-CB 3.4Å; I384-A388 PolarHBondContact O-N 3.3Å
385T71.8Confident67.8Low66 Ų6685.7 Ų85.741%0.40544%0.435SS..Hα-helixtrans-65.3-41.5-179.8-56.10000112.2E381 K382 T383 A388 K389E381-T385 WeakPolarHBondContact O-CB 3.38Å; E381-T385 PolarHBondContact O-N 3.01Å; E381-T385 PolarHBondContact O-OG1 2.91Å; K382-T385 PolarHBondContact O-N 3.24Å; K382-T385 VanDerWaalsContact O-N 3.15Å; T383-T385 VanDerWaalsContact C-N 3.34Å; T385-A388 PolarHBondContact O-N 3.25Å; T385-K389 HydrophobicContact CG2-CD 4.23Å; T385-K389 WeakPolarHBondContact O-CB 3.34Å; T385-K389 VanDerWaalsContact O-CG 3.31Å; T385-K389 WeakPolarHBondContact O-CG 3.35Å; T385-K389 PolarHBondContact O-N 2.81Å
386D76.2Confident65.2Low63 Ų6387.1 Ų87.134%0.33745%0.449SS..Hα-helixtrans-69.9-42.2-179.8-71.4-16.4000110.3K382 T383 A388 K389 E390K382-D386 WeakPolarHBondContact CE-OD2 3.35Å; K382-D386 WeakPolarHBondContact O-CB 3.17Å; K382-D386 PolarHBondContact O-N 2.94Å; T383-D386 PolarHBondContact O-N 3.39Å; D386-A388 VanDerWaalsContact C-N 3.33Å; D386-A388 PolarHBondContact O-N 3.23Å; D386-K389 PolarHBondContact O-N 2.99Å; D386-K389 VanDerWaalsContact O-N 3.12Å; D386-E390 WeakPolarHBondContact O-CG 3.4Å; D386-E390 PolarHBondContact O-N 3.13Å
387A71.4Confident62.5Low2 Ų288.8 Ų88.82%0.01746%0.461CS..Hα-helixtrans-59.9-41.8173.400000112.1I355 N359 I363 T383 I384 K389I355-A387 HydrophobicContact CD1-CB 4.5Å; N359-A387 HydrophobicContact CB-CB 4.22Å; I363-A387 HydrophobicContact CD1-CB 3.96Å; I363-A387 HydrophobicContact CG1-CB 3.9Å; T383-A387 VanDerWaalsContact O-CB 3.25Å; T383-A387 WeakPolarHBondContact O-CB 3.35Å; T383-A387 PolarHBondContact O-N 3.31Å; I384-A387 PolarHBondContact O-N 3.07Å; A387-K389 VanDerWaalsContact C-N 3.32Å; A387-K389 PolarHBondContact O-N 3.02Å
388A61Low60.1Low56 Ų5684.9 Ų84.946%0.46346%0.462SS..Hα-helixtrans-68.9-27.6176.100000113.4I384 T385 D386I384-A388 WeakPolarHBondContact O-CB 3.4Å; I384-A388 PolarHBondContact O-N 3.3Å; T385-A388 PolarHBondContact O-N 3.25Å; D386-A388 VanDerWaalsContact C-N 3.33Å; D386-A388 PolarHBondContact O-N 3.23Å
389K62.3Low57.8Low148 Ų14882.7 Ų82.764%0.64345%0.447SS*.Hα-helixtrans-82.3-25.8177.8-79.4174.5-177.4167.80114T385 D386 A387 E391T385-K389 HydrophobicContact CG2-CD 4.23Å; T385-K389 WeakPolarHBondContact O-CB 3.34Å; T385-K389 VanDerWaalsContact O-CG 3.31Å; T385-K389 WeakPolarHBondContact O-CG 3.35Å; T385-K389 PolarHBondContact O-N 2.81Å; D386-K389 PolarHBondContact O-N 2.99Å; D386-K389 VanDerWaalsContact O-N 3.12Å; A387-K389 VanDerWaalsContact C-N 3.32Å; A387-K389 PolarHBondContact O-N 3.02Å; K389-E391 PolarHBondContact O-N 3.07Å
390E60.9Low55.8Low121 Ų12178.8 Ų78.857%0.56543%0.431SS*.SBendtrans-71.1-15.2176-76.5179.4179.100112.1N359 K362 D386N359-E390 PolarHBondContact OD1-OE2 3.45Å; K362-E390 IonicContact NZ-OE2 3.44Å; K362-E390 PolarHBondContact NZ-OE2 2.9Å; D386-E390 WeakPolarHBondContact O-CG 3.4Å; D386-E390 PolarHBondContact O-N 3.13Å
391E53.9Low54.5Low44 Ų4483.8 Ų83.821%0.20645%0.448CS..SBendtrans-80.5145.5175.9-61.8-66.6150.900111.7I355 S356 N359 K389 K393I355-E391 WeakPolarHBondContact CA-OE1 3.38Å; I355-E391 HydrophobicContact CG1-CG 4.4Å; S356-E391 PolarHBondContact N-OE1 3.08Å; N359-E391 PolarHBondContact ND2-OE1 2.95Å; K389-E391 PolarHBondContact O-N 3.07Å; E391-K393 PolarHBondContact O-N 2.86Å
392P44.1Very low54.3Low72 Ų7280.2 Ų80.247%0.46844%0.435SS..  trans-57.3136.6-178.520.2-30.4000112.5E353 D394E353-P392 WeakPolarHBondContact OE2-CG 3.37Å; P392-D394 PolarHBondContact O-N 2.85Å
393K40.7Very low54.5Low194 Ų19475.1 Ų75.184%0.84342%0.416SS*.SBendtrans-74.60.8-172.7-73.3-175.2177.1179.70115.3E391 N395E391-K393 PolarHBondContact O-N 2.86Å; K393-N395 PolarHBondContact O-N 2.78Å
394D41.3Very low54.9Low160 Ų16076.5 Ų76.586%0.85642%0.422SS*.  trans-8148.3-179.7-71.4-17.2000111.2P392 P396P392-D394 PolarHBondContact O-N 2.85Å; D394-P396 VanDerWaalsContact O-CD 3.32Å; D394-P396 WeakPolarHBondContact O-CD 3.31Å
395N37Very low55.9Low105 Ų10576.9 Ų76.956%0.56142%0.424SS*.  trans-103.297.4179.3-160.2-3.4000108.6K393 S397K393-N395 PolarHBondContact O-N 2.78Å; N395-S397 VanDerWaalsContact C-N 3.34Å; N395-S397 PolarHBondContact O-N 3.05Å
396P28Very low56.9Low79 Ų7976.6 Ų76.651%0.51342%0.423SS..  trans-75.892.2175.44.114.3000107.2D394 A398 V399 S400D394-P396 VanDerWaalsContact O-CD 3.32Å; D394-P396 WeakPolarHBondContact O-CD 3.31Å; P396-A398 PolarHBondContact O-N 2.93Å; P396-V399 HydrophobicContact CB-CB 4.27Å; P396-V399 HydrophobicContact CB-CG2 3.94Å; P396-V399 HydrophobicContact CG-CG2 4.35Å; P396-V399 PolarHBondContact O-N 3.11Å; P396-S400 PolarHBondContact O-N 3.28Å
397S29.1Very low57.8Low86 Ų8676.7 Ų76.760%0.60142%0.422SS*.THydrogen-bonded Turntrans-58.4-15.5-179.357.40000114N395 S400N395-S397 VanDerWaalsContact C-N 3.34Å; N395-S397 PolarHBondContact O-N 3.05Å; S397-S400 WeakPolarHBondContact O-CB 3.49Å
398A28.6Very low59Low76 Ų7677.2 Ų77.263%0.62843%0.427SS*.THydrogen-bonded Turntrans-77.5-34.8171.800000113.2P396 S400P396-A398 PolarHBondContact O-N 2.93Å; A398-S400 PolarHBondContact O-N 3Å
399V35.4Very low60.5Low40 Ų4081.5 Ų81.524%0.24244%0.442CS..G310 helixtrans-72.5-17.1173.1-176.50000110.8A343 P396 R401 G402A343-V399 HydrophobicContact CB-CG1 3.68Å; P396-V399 HydrophobicContact CB-CB 4.27Å; P396-V399 HydrophobicContact CB-CG2 3.94Å; P396-V399 HydrophobicContact CG-CG2 4.35Å; P396-V399 PolarHBondContact O-N 3.11Å; V399-R401 PolarHBondContact O-N 3.49Å; V399-R401 VanDerWaalsContact O-N 3.13Å; V399-G402 PolarHBondContact O-N 3.15Å
400S38.8Very low62.1Low18 Ų1874.8 Ų74.813%0.12641%0.413CS..G310 helixtrans-57.1-27176.8-164.20000114.3V69 P396 S397 A398 G402V69-S400 WeakPolarHBondContact CG2-OG 3.37Å; P396-S400 PolarHBondContact O-N 3.28Å; S397-S400 WeakPolarHBondContact O-CB 3.49Å; A398-S400 PolarHBondContact O-N 3Å; S400-G402 VanDerWaalsContact C-N 3.31Å
401R53Low63.8Low122 Ų12270 Ų7046%0.4640%0.396SS..G310 helixtrans-83.3-9.8179-65-176.8176.9-163.3-9.3113.3D72 V399 S403D72-R401 IonicContact OD2-CZ 2.72Å; D72-R401 IonicContact OD2-NH2 3.19Å; D72-R401 PolarHBondContact OD2-NH2 3.06Å; V399-R401 PolarHBondContact O-N 3.49Å; V399-R401 VanDerWaalsContact O-N 3.13Å; R401-S403 PolarHBondContact O-N 3.26Å
402G71.5Confident65.9Low14 Ų1467.9 Ų67.914%0.14439%0.386CS..SBendtrans62.73.8-173.700000114.6V399 S400 G417 G418V399-G402 PolarHBondContact O-N 3.15Å; S400-G402 VanDerWaalsContact C-N 3.31Å; G402-G417 CarbonylContact O-C 3.54Å; G402-G417 WeakPolarHBondContact O-CA 3.3Å; G402-G418 PolarHBondContact O-N 2.82Å
403S84.9Confident68.5Low26 Ų2664.4 Ų64.418%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-120.7153.2176.761.80000112.3R401 S416 M426R401-S403 PolarHBondContact O-N 3.26Å; S403-S416 CarbonylContact C-O 3.18Å; S403-S416 VanDerWaalsContact CA-O 3.22Å; S403-S416 WeakPolarHBondContact CA-O 3.47Å; S403-S416 WeakPolarHBondContact CB-O 3.29Å; S403-M426 WeakPolarHBondContact CB-SD 3.42Å
404D89.2Confident71.2Confident67 Ų6755.5 Ų55.536%0.35833%0.325SS..EExtended strand (participates in β ladder)trans-140.4141.7179-178.846.3000111.2I340 T406 L415 S416I340-D404 HydrophobicContact CD1-CB 3.59Å; D404-T406 PolarHBondContact OD2-OG1 3.09Å; D404-L415 WeakPolarHBondContact O-CA 3.21Å; D404-S416 PolarHBondContact N-O 3.45Å; D404-S416 PolarHBondContact O-N 3.27Å
405L93.9Very high73.8Confident55 Ų5548.2 Ų48.229%0.28829%0.286SS..EExtended strand (participates in β ladder)trans-120100.8171.9177.667.6000108.6I414 L415 A430 K433L405-I414 WeakPolarHBondContact CA-O 3.13Å; L405-L415 HydrophobicContact CB-CD1 4.24Å; L405-L415 HydrophobicContact CD1-CB 4.08Å; L405-L415 HydrophobicContact CD1-CD1 4.33Å; L405-A430 HydrophobicContact CD1-CB 4.37Å; L405-A430 HydrophobicContact CD2-CB 4.39Å; L405-K433 HydrophobicContact CD2-CB 4.05Å
406T94Very high76.5Confident61 Ų6143.3 Ų43.337%0.37426%0.26SS..EExtended strand (participates in β ladder)trans-106.4148.3178.8-75.50000110.6D404 I414D404-T406 PolarHBondContact OD2-OG1 3.09Å; T406-I414 PolarHBondContact N-O 3.39Å; T406-I414 PolarHBondContact O-N 3.3Å
407I95.6Very high79.4Confident64 Ų6439.8 Ų39.833%0.32824%0.238SC..EExtended strand (participates in β ladder)trans-117.5121.5169.6-56.9166.2000107.5L412 L413 K433 L437I407-L412 WeakPolarHBondContact CA-O 3.43Å; I407-L413 HydrophobicContact CG1-CG 4.3Å; I407-K433 HydrophobicContact CD1-CD 4.01Å; I407-K433 HydrophobicContact CD1-CG 3.66Å; I407-L437 HydrophobicContact CD1-CD1 4Å
408A95.4Very high82Confident14 Ų1435.9 Ų35.912%0.11621%0.212CC..  trans-73.7163.7176.400000112.1I237 H239 D410 G411 L412I237-A408 HydrophobicContact CD1-CB 4.03Å; H239-A408 VanDerWaalsContact CE1-CB 3.46Å; H239-A408 WeakPolarHBondContact CE1-CB 3.31Å; A408-D410 WeakPolarHBondContact CB-OD1 3.42Å; A408-D410 PolarHBondContact O-N 2.83Å; A408-D410 VanDerWaalsContact O-N 3.08Å; A408-G411 PolarHBondContact O-N 2.92Å; A408-L412 HydrophobicContact CB-CB 4.2Å; A408-L412 PolarHBondContact N-O 3.13Å
409D94Very high84.8Confident145 Ų14533.3 Ų33.378%0.77519%0.186SC*.THydrogen-bonded Turntrans-60-24.9-174.9-69.4-24.4000113.7K197 I237K197-D409 PolarHBondContact NZ-O 2.93Å; I237-D409 HydrophobicContact CD1-CB 3.84Å
410D95.7Very high87.4Confident7 Ų732.6 Ų32.64%0.03718%0.181CC..THydrogen-bonded Turntrans-89.2-5.517869-13.3000113.2H192 K197 V198 I237 A408 L412H192-D410 IonicContact CD2-OD2 2.75Å; H192-D410 IonicContact CE1-OD2 3.52Å; H192-D410 IonicContact NE2-OD2 3.74Å; H192-D410 PolarHBondContact NE2-OD2 3.44Å; K197-D410 WeakPolarHBondContact CA-O 3.29Å; K197-D410 VanDerWaalsContact CD-O 3.24Å; K197-D410 WeakPolarHBondContact CD-O 3.5Å; V198-D410 HydrophobicContact CG2-CB 4.17Å; V198-D410 VanDerWaalsContact CG2-CG 3.42Å; V198-D410 WeakPolarHBondContact CG2-OD2 3.24Å; V198-D410 PolarHBondContact N-O 3.27Å; I237-D410 HydrophobicContact CD1-CB 3.55Å; I237-D410 VanDerWaalsContact CD1-N 3.29Å; I237-D410 WeakPolarHBondContact CD1-OD1 3.43Å; I237-D410 HydrophobicContact CG1-CB 4.23Å; A408-D410 WeakPolarHBondContact CB-OD1 3.42Å; A408-D410 PolarHBondContact O-N 2.83Å; A408-D410 VanDerWaalsContact O-N 3.08Å; D410-L412 PolarHBondContact OD1-N 2.89Å; D410-L412 VanDerWaalsContact OD1-N 3.1Å
411G96.2Very high89.8Confident20 Ų2031.9 Ų31.921%0.20618%0.176CC..  trans98.90.8178.500000115.5A408 L413A408-G411 PolarHBondContact O-N 2.92Å; G411-L413 PolarHBondContact O-N 3.03Å
412L97.7Very high91.6Very high0 Ų027 Ų270%016%0.159CC..  trans-61.1122.6172.9-17563000110.1V198 V219 I407 A408 D410 I414V198-L412 HydrophobicContact CG2-CB 4.03Å; V219-L412 HydrophobicContact CB-CD1 4.03Å; V219-L412 HydrophobicContact CG1-CD1 3.83Å; I407-L412 WeakPolarHBondContact CA-O 3.43Å; A408-L412 HydrophobicContact CB-CB 4.2Å; A408-L412 PolarHBondContact N-O 3.13Å; D410-L412 PolarHBondContact OD1-N 2.89Å; D410-L412 VanDerWaalsContact OD1-N 3.1Å; L412-I414 HydrophobicContact CD2-CG1 4.3Å; L412-I414 HydrophobicContact CG-CG1 4.22Å
413L98.2Very high92.7Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-84.1137.1170.9-62.496000109.5L218 V219 I220 N221 I407 G411 I434 L437L218-L413 HydrophobicContact CB-CD1 4.15Å; L218-L413 HydrophobicContact CD2-CD1 4.24Å; V219-L413 WeakPolarHBondContact O-CD1 3.32Å; V219-L413 PolarHBondContact O-N 2.73Å; I220-L413 CarbonylContact C-O 3.5Å; I220-L413 WeakPolarHBondContact CA-O 3.31Å; I220-L413 HydrophobicContact CB-CB 3.91Å; I220-L413 HydrophobicContact CD1-CB 4.23Å; I220-L413 HydrophobicContact CG1-CB 3.74Å; N221-L413 PolarHBondContact N-O 2.82Å; I407-L413 HydrophobicContact CG1-CG 4.3Å; G411-L413 PolarHBondContact O-N 3.03Å; L413-I434 HydrophobicContact CD2-CG1 3.89Å; L413-L437 HydrophobicContact CD1-CD1 4.25Å; L413-L437 HydrophobicContact CD2-CD1 3.99Å; L413-L437 HydrophobicContact CG-CD1 4.31Å
414I97.4Very high93.3Very high7 Ų725.5 Ų25.54%0.03615%0.145CC..EExtended strand (participates in β ladder)trans-128.9111.8-179.1-56.5163.8000107.6N221 L405 T406 L412N221-I414 HydrophobicContact CB-CG1 4.44Å; L405-I414 WeakPolarHBondContact CA-O 3.13Å; T406-I414 PolarHBondContact N-O 3.39Å; T406-I414 PolarHBondContact O-N 3.3Å; L412-I414 HydrophobicContact CD2-CG1 4.3Å; L412-I414 HydrophobicContact CG-CG1 4.22Å
415L96.7Very high93.5Very high7 Ų724.8 Ų24.84%0.03714%0.141CC..EExtended strand (participates in β ladder)trans-109.1107174.7177.863.2000108.7T20 V24 I220 N221 T222 D404 L405 M426 A430T20-L415 HydrophobicContact CG2-CD2 3.42Å; T20-L415 VanDerWaalsContact CG2-CD2 3.42Å; T20-L415 HydrophobicContact CG2-CG 3.75Å; V24-L415 HydrophobicContact CG2-CD2 3.98Å; I220-L415 HydrophobicContact CD1-CB 4.12Å; I220-L415 HydrophobicContact CG1-CB 4.47Å; N221-L415 PolarHBondContact O-N 2.84Å; T222-L415 HydrophobicContact CG2-CB 4.26Å; T222-L415 HydrophobicContact CG2-CD2 4.4Å; D404-L415 WeakPolarHBondContact O-CA 3.21Å; L405-L415 HydrophobicContact CB-CD1 4.24Å; L405-L415 HydrophobicContact CD1-CB 4.08Å; L405-L415 HydrophobicContact CD1-CD1 4.33Å; L415-M426 HydrophobicContact CD1-CB 4.41Å; L415-M426 HydrophobicContact CD2-CB 4.41Å; L415-A430 HydrophobicContact CD2-CB 4.13Å
416S93.1Very high93.5Very high2 Ų222.9 Ų22.91%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-123.1163.6-172.770.20000111.9H242 S403 D404H242-S416 PolarHBondContact CD2-OG 3.35Å; H242-S416 VanDerWaalsContact NE2-CB 3.27Å; H242-S416 WeakPolarHBondContact NE2-CB 3.3Å; H242-S416 PolarHBondContact NE2-OG 2.78Å; S403-S416 CarbonylContact C-O 3.18Å; S403-S416 VanDerWaalsContact CA-O 3.22Å; S403-S416 WeakPolarHBondContact CA-O 3.47Å; S403-S416 WeakPolarHBondContact CB-O 3.29Å; D404-S416 PolarHBondContact N-O 3.45Å; D404-S416 PolarHBondContact O-N 3.27Å
417G88.7Confident93.7Very high5 Ų520 Ų205%0.05211%0.113CC..EExtended strand (participates in β ladder)trans72.9-154178.500000115.1P338 G402P338-G417 VanDerWaalsContact O-CA 3.31Å; P338-G417 WeakPolarHBondContact O-CA 3.22Å; G402-G417 CarbonylContact O-C 3.54Å; G402-G417 WeakPolarHBondContact O-CA 3.3Å
418G84.6Confident93.8Very high4 Ų417.8 Ų17.84%0.04110%0.102CC..  trans73.3173.7176.600000114.8Y347 G402Y347-G418 PolarHBondContact OH-O 2.98Å; G402-G418 PolarHBondContact O-N 2.82Å
419K86.1Confident93.8Very high22 Ų2218.7 Ų18.710%0.09611%0.113CC..  trans-112.3164-178.5-51.4-174.2-173.7144.20110.6Y61 Y347 T421 D422Y61-K419 VanDerWaalsContact CZ-NZ 3.28Å; Y61-K419 PolarHBondContact OH-NZ 3.26Å; Y347-K419 HydrophobicContact CD1-CD 4.23Å; Y347-K419 HydrophobicContact CD1-CG 4.29Å; Y347-K419 HydrophobicContact CE1-CB 4.23Å; Y347-K419 HydrophobicContact CE1-CD 3.99Å; Y347-K419 HydrophobicContact CE1-CG 3.55Å; K419-T421 PolarHBondContact O-N 3.25Å; K419-D422 PolarHBondContact O-N 2.76Å; K419-D422 VanDerWaalsContact O-N 3.09Å
420L90.9Very high93.9Very high24 Ų2411.8 Ų11.813%0.1268%0.076CC..G310 helixtrans-55.7-36.8171.6-178.2146.2000111.2I19 V55 D163 L166 D422 Y423I19-L420 HydrophobicContact CG1-CG 4.43Å; V55-L420 HydrophobicContact CG2-CD2 3.86Å; D163-L420 HydrophobicContact CB-CD1 3.52Å; L166-L420 HydrophobicContact CD2-CD1 4.42Å; L166-L420 HydrophobicContact CD2-CD2 3.73Å; L166-L420 HydrophobicContact CD2-CG 4.12Å; L420-D422 VanDerWaalsContact C-N 3.26Å; L420-D422 PolarHBondContact O-N 3.12Å; L420-Y423 WeakPolarHBondContact O-CD1 3.34Å; L420-Y423 PolarHBondContact O-N 2.92Å
421T89.9Confident94Very high4 Ų411.5 Ų11.53%0.0257%0.074CC..G310 helixtrans-65.8-24.2178.9-47.70000113.8V55 T73 E76 R77 I80 K419V55-T421 HydrophobicContact CG1-CG2 3.44Å; V55-T421 VanDerWaalsContact CG1-CG2 3.44Å; T73-T421 HydrophobicContact CG2-CG2 3.38Å; T73-T421 WeakPolarHBondContact O-CG2 3.42Å; E76-T421 HydrophobicContact CB-CG2 4.42Å; E76-T421 WeakPolarHBondContact CB-O 3.32Å; R77-T421 HydrophobicContact CB-CG2 4.31Å; I80-T421 WeakPolarHBondContact CD1-O 3.32Å; K419-T421 PolarHBondContact O-N 3.25Å
422D90.4Very high94Very high18 Ų1816.5 Ų16.510%0.0969%0.091CC..G310 helixtrans-103.58.5-174.5-45.2-50.4000112.1T73 K419 L420 R424 L425 M426T73-D422 PolarHBondContact OG1-OD1 2.8Å; K419-D422 PolarHBondContact O-N 2.76Å; K419-D422 VanDerWaalsContact O-N 3.09Å; L420-D422 VanDerWaalsContact C-N 3.26Å; L420-D422 PolarHBondContact O-N 3.12Å; D422-R424 VanDerWaalsContact C-N 3.34Å; D422-R424 PolarHBondContact O-N 2.85Å; D422-L425 PolarHBondContact O-N 2.66Å; D422-M426 WeakPolarHBondContact O-CG 3.46Å; D422-M426 PolarHBondContact O-N 3.42Å
423Y95.1Very high94Very high2 Ų219.2 Ų19.21%0.00810%0.102CC..Hα-helixtrans-59.7-40-168.987.3-85.2000113.7I19 I80 L166 N170 L420 A427I19-Y423 HydrophobicContact CD1-CD1 4.27Å; I19-Y423 HydrophobicContact CD1-CD2 3.84Å; I19-Y423 HydrophobicContact CD1-CE1 4.39Å; I19-Y423 HydrophobicContact CD1-CE2 4.03Å; I19-Y423 HydrophobicContact CD1-CG 3.97Å; I19-Y423 HydrophobicContact CG1-CD1 4.01Å; I19-Y423 HydrophobicContact CG1-CD2 3.77Å; I19-Y423 HydrophobicContact CG1-CE2 4.45Å; I19-Y423 HydrophobicContact CG1-CG 3.51Å; I80-Y423 HydrophobicContact CD1-CD1 3.82Å; I80-Y423 HydrophobicContact CD1-CE1 3.68Å; I80-Y423 HydrophobicContact CG1-CD1 4.4Å; I80-Y423 HydrophobicContact CG1-CE1 3.8Å; I80-Y423 HydrophobicContact CG2-CE1 4.24Å; L166-Y423 HydrophobicContact CD2-CD1 4.42Å; L166-Y423 HydrophobicContact CD2-CE1 4Å; L166-Y423 HydrophobicContact CG-CE1 4.49Å; N170-Y423 PolarHBondContact ND2-OH 3.29Å; N170-Y423 WeakPolarHBondContact OD1-CE2 3.38Å; N170-Y423 PolarHBondContact OD1-OH 3.38Å; L420-Y423 WeakPolarHBondContact O-CD1 3.34Å; L420-Y423 PolarHBondContact O-N 2.92Å; Y423-A427 WeakPolarHBondContact O-CB 3.47Å; Y423-A427 PolarHBondContact O-N 2.83Å
424R96.5Very high94Very high7 Ų719.2 Ų19.23%0.02610%0.102CC..Hα-helixtrans-68.6-47.9-179.2-178.4-146.169.197.8-18110.2Q27 E76 D422 M426 A427 T428 S448 E449Q27-R424 PolarHBondContact NE2-O 2.83Å; E76-R424 IonicContact OE1-CZ 3.91Å; E76-R424 IonicContact OE1-NE 2.95Å; E76-R424 PolarHBondContact OE1-NE 3.5Å; E76-R424 IonicContact OE1-NH2 2.9Å; E76-R424 PolarHBondContact OE1-NH2 3.35Å; E76-R424 IonicContact OE2-CZ 2.66Å; E76-R424 IonicContact OE2-NE 3.15Å; E76-R424 PolarHBondContact OE2-NE 3.07Å; E76-R424 IonicContact OE2-NH2 3.13Å; D422-R424 VanDerWaalsContact C-N 3.34Å; D422-R424 PolarHBondContact O-N 2.85Å; R424-M426 VanDerWaalsContact C-N 3.34Å; R424-M426 PolarHBondContact O-N 3.2Å; R424-A427 PolarHBondContact O-N 2.85Å; R424-T428 PolarHBondContact O-N 3.37Å; R424-T428 PolarHBondContact O-OG1 2.88Å; R424-S448 PolarHBondContact NH1-OG 3.39Å; R424-E449 VanDerWaalsContact CZ-CG 3.46Å; R424-E449 IonicContact CZ-OE1 3.96Å; R424-E449 IonicContact NH1-OE1 2.82Å; R424-E449 PolarHBondContact NH1-OE1 2.91Å; R424-E449 IonicContact NH2-OE1 3.83Å; R424-E449 PolarHBondContact NH2-OE1 3.49Å
425L93.4Very high93.9Very high52 Ų5220.3 Ų20.327%0.27211%0.108SC..Hα-helixtrans-59.2-42.9175.2-175.960.7000112.2E76 D422 T428 G429E76-L425 HydrophobicContact CG-CB 4.21Å; E76-L425 HydrophobicContact CG-CD2 4.44Å; E76-L425 PolarHBondContact OE2-N 2.9Å; D422-L425 PolarHBondContact O-N 2.66Å; L425-T428 PolarHBondContact O-N 2.87Å; L425-G429 PolarHBondContact O-N 3.36Å
426M94.4Very high93.8Very high16 Ų1625.5 Ų25.58%0.07913%0.132CC..Hα-helixtrans-59.2-47173.9-73-169.1-66.600111.9S403 L415 D422 R424 T428 G429 A430S403-M426 WeakPolarHBondContact CB-SD 3.42Å; L415-M426 HydrophobicContact CD1-CB 4.41Å; L415-M426 HydrophobicContact CD2-CB 4.41Å; D422-M426 WeakPolarHBondContact O-CG 3.46Å; D422-M426 PolarHBondContact O-N 3.42Å; R424-M426 VanDerWaalsContact C-N 3.34Å; R424-M426 PolarHBondContact O-N 3.2Å; M426-T428 VanDerWaalsContact C-N 3.34Å; M426-T428 PolarHBondContact O-N 3Å; M426-G429 PolarHBondContact O-N 3.17Å; M426-A430 PolarHBondContact O-N 3.17Å
427A97.7Very high93.9Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-62.7-39.117700000112.4G23 V24 Y423 R424 G429 A430 M431G23-A427 WeakPolarHBondContact O-CB 3.35Å; V24-A427 HydrophobicContact CG2-CB 3.9Å; Y423-A427 WeakPolarHBondContact O-CB 3.47Å; Y423-A427 PolarHBondContact O-N 2.83Å; R424-A427 PolarHBondContact O-N 2.85Å; A427-G429 PolarHBondContact O-N 3.06Å; A427-A430 PolarHBondContact O-N 3.07Å; A427-M431 WeakPolarHBondContact O-CB 3.16Å; A427-M431 WeakPolarHBondContact O-CG 3.38Å; A427-M431 PolarHBondContact O-N 2.89Å
428T96.8Very high94.2Very high18 Ų1829.7 Ų29.711%0.1115%0.153CC..Hα-helixtrans-64.8-38.8174.3-64.60000112Q27 R424 L425 M426 M431 K432 S448Q27-T428 PolarHBondContact NE2-OG1 2.93Å; Q27-T428 PolarHBondContact OE1-OG1 3.3Å; R424-T428 PolarHBondContact O-N 3.37Å; R424-T428 PolarHBondContact O-OG1 2.88Å; L425-T428 PolarHBondContact O-N 2.87Å; M426-T428 VanDerWaalsContact C-N 3.34Å; M426-T428 PolarHBondContact O-N 3Å; T428-M431 PolarHBondContact O-N 3.31Å; T428-K432 WeakPolarHBondContact O-CG 3.31Å; T428-K432 PolarHBondContact O-N 2.9Å; T428-K432 VanDerWaalsContact O-N 3.07Å; T428-S448 PolarHBondContact OG1-OG 2.99Å; T428-S448 VanDerWaalsContact OG1-OG 3.05Å
429G95.6Very high94Very high33 Ų3334.7 Ų34.734%0.3419%0.187SC..Hα-helixtrans-59.7-46.1171.600000112.5L425 M426 A427L425-G429 PolarHBondContact O-N 3.36Å; M426-G429 PolarHBondContact O-N 3.17Å; A427-G429 PolarHBondContact O-N 3.06Å
430A97.6Very high93.6Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-63.8-44.4175.500000112.5V24 I220 L405 L415 M426 A427 K432 K433 I434V24-A430 HydrophobicContact CG2-CB 4.26Å; I220-A430 HydrophobicContact CD1-CB 3.99Å; L405-A430 HydrophobicContact CD1-CB 4.37Å; L405-A430 HydrophobicContact CD2-CB 4.39Å; L415-A430 HydrophobicContact CD2-CB 4.13Å; M426-A430 PolarHBondContact O-N 3.17Å; A427-A430 PolarHBondContact O-N 3.07Å; A430-K432 VanDerWaalsContact C-N 3.35Å; A430-K432 PolarHBondContact O-N 3.4Å; A430-K433 PolarHBondContact O-N 3.07Å; A430-I434 HydrophobicContact CB-CD1 4.39Å; A430-I434 WeakPolarHBondContact O-CG1 3.48Å; A430-I434 PolarHBondContact O-N 3.1Å
431M97.8Very high92.7Very high0 Ų040.4 Ų40.40%023%0.228CC..Hα-helixtrans-62.8-38.3-179.8-78.2-55-59.300113.1Q27 A28 L33 A427 T428 K433 I434 I435 L445Q27-M431 HydrophobicContact CB-CG 3.73Å; A28-M431 HydrophobicContact CB-CE 4.08Å; A28-M431 HydrophobicContact CB-SD 3.63Å; L33-M431 HydrophobicContact CD1-CE 4.09Å; L33-M431 HydrophobicContact CD2-CE 4.34Å; A427-M431 WeakPolarHBondContact O-CB 3.16Å; A427-M431 WeakPolarHBondContact O-CG 3.38Å; A427-M431 PolarHBondContact O-N 2.89Å; T428-M431 PolarHBondContact O-N 3.31Å; M431-K433 PolarHBondContact O-N 3.41Å; M431-I434 PolarHBondContact O-N 3.33Å; M431-I434 HydrophobicContact SD-CD1 4.02Å; M431-I435 HydrophobicContact CE-CD1 4.15Å; M431-I435 HydrophobicContact CE-CG1 4.15Å; M431-I435 WeakPolarHBondContact O-CB 3.38Å; M431-I435 WeakPolarHBondContact O-CG1 3.38Å; M431-I435 PolarHBondContact O-N 2.91Å; M431-L445 HydrophobicContact CB-CD2 3.66Å
432K96.4Very high92.8Very high125 Ų12546.4 Ų46.454%0.54326%0.256SS..Hα-helixtrans-53.1-45.5172.1-80.4169.2-177.6179.50111T428 A430 E436 L445T428-K432 WeakPolarHBondContact O-CG 3.31Å; T428-K432 PolarHBondContact O-N 2.9Å; T428-K432 VanDerWaalsContact O-N 3.07Å; A430-K432 VanDerWaalsContact C-N 3.35Å; A430-K432 PolarHBondContact O-N 3.4Å; K432-E436 PolarHBondContact O-N 3.08Å; K432-L445 HydrophobicContact CD-CD1 4.43Å; K432-L445 HydrophobicContact CG-CD1 3.51Å; K432-L445 HydrophobicContact CG-CD2 4.18Å; K432-L445 HydrophobicContact CG-CG 4.46Å
433K96.5Very high92.9Very high57 Ų5746.2 Ų46.225%0.24825%0.254CS..Hα-helixtrans-75.9-37.6-178.2-166.753172.5-179.50113L405 I407 A430 M431 E436 L437L405-K433 HydrophobicContact CD2-CB 4.05Å; I407-K433 HydrophobicContact CD1-CD 4.01Å; I407-K433 HydrophobicContact CD1-CG 3.66Å; A430-K433 PolarHBondContact O-N 3.07Å; M431-K433 PolarHBondContact O-N 3.41Å; K433-E436 VanDerWaalsContact CD-OE2 3.26Å; K433-E436 WeakPolarHBondContact CD-OE2 3.35Å; K433-E436 IonicContact NZ-OE1 3.52Å; K433-E436 PolarHBondContact NZ-OE1 3.15Å; K433-E436 IonicContact NZ-OE2 3.91Å; K433-E436 PolarHBondContact NZ-OE2 3.07Å; K433-E436 WeakPolarHBondContact O-CB 3.49Å; K433-E436 PolarHBondContact O-N 3.29Å; K433-L437 HydrophobicContact CG-CD1 4.28Å; K433-L437 VanDerWaalsContact O-CG 3.3Å; K433-L437 WeakPolarHBondContact O-CG 3.36Å; K433-L437 PolarHBondContact O-N 3.19Å
434I97.6Very high92.8Very high0 Ų053.3 Ų53.30%029%0.287CS..Hα-helixtrans-60.9-47.8176.2-72.3162000110.8L12 V24 L33 L218 I220 L413 A430 M431 E436 L437 L438L12-I434 HydrophobicContact CD1-CD1 4.09Å; L12-I434 HydrophobicContact CD1-CG1 4.41Å; L12-I434 HydrophobicContact CD2-CD1 3.85Å; V24-I434 HydrophobicContact CG1-CD1 4.27Å; L33-I434 HydrophobicContact CD2-CG2 3.77Å; L218-I434 HydrophobicContact CD1-CG2 4.06Å; I220-I434 HydrophobicContact CD1-CD1 4.32Å; L413-I434 HydrophobicContact CD2-CG1 3.89Å; A430-I434 HydrophobicContact CB-CD1 4.39Å; A430-I434 WeakPolarHBondContact O-CG1 3.48Å; A430-I434 PolarHBondContact O-N 3.1Å; M431-I434 PolarHBondContact O-N 3.33Å; M431-I434 HydrophobicContact SD-CD1 4.02Å; I434-E436 VanDerWaalsContact C-N 3.34Å; I434-E436 PolarHBondContact O-N 3.08Å; I434-L437 PolarHBondContact O-N 2.77Å; I434-L438 HydrophobicContact CG2-CD1 4.02Å; I434-L438 WeakPolarHBondContact O-CG 3.48Å; I434-L438 PolarHBondContact O-N 2.86Å
435I96.4Very high92.7Very high30 Ų3056.7 Ų56.715%0.15431%0.306CS..Hα-helixtrans-62.9-42.2178.8-68.1171.3000110.8M431 L437 L438 S439 F443 L445M431-I435 HydrophobicContact CE-CD1 4.15Å; M431-I435 HydrophobicContact CE-CG1 4.15Å; M431-I435 WeakPolarHBondContact O-CB 3.38Å; M431-I435 WeakPolarHBondContact O-CG1 3.38Å; M431-I435 PolarHBondContact O-N 2.91Å; I435-L437 VanDerWaalsContact C-N 3.35Å; I435-L437 PolarHBondContact O-N 2.99Å; I435-L438 PolarHBondContact O-N 3.16Å; I435-S439 PolarHBondContact O-N 3.38Å; I435-F443 HydrophobicContact CG1-CB 4.16Å; I435-F443 HydrophobicContact CG2-CB 4.45Å; I435-F443 WeakPolarHBondContact CG2-O 3.45Å; I435-L445 HydrophobicContact CD1-CD2 3.67Å; I435-L445 HydrophobicContact CD1-CG 3.89Å
436E95.2Very high92.9Very high117 Ų11756 Ų5655%0.54730%0.301SS..Hα-helixtrans-56.9-46.9174.3-172.5-161.414000111.7K432 K433 I434 S439K432-E436 PolarHBondContact O-N 3.08Å; K433-E436 VanDerWaalsContact CD-OE2 3.26Å; K433-E436 WeakPolarHBondContact CD-OE2 3.35Å; K433-E436 IonicContact NZ-OE1 3.52Å; K433-E436 PolarHBondContact NZ-OE1 3.15Å; K433-E436 IonicContact NZ-OE2 3.91Å; K433-E436 PolarHBondContact NZ-OE2 3.07Å; K433-E436 WeakPolarHBondContact O-CB 3.49Å; K433-E436 PolarHBondContact O-N 3.29Å; I434-E436 VanDerWaalsContact C-N 3.34Å; I434-E436 PolarHBondContact O-N 3.08Å; E436-S439 PolarHBondContact O-N 3.03Å; E436-S439 PolarHBondContact O-OG 2.97Å
437L95.4Very high93Very high67 Ų6759.6 Ų59.635%0.35132%0.321SS..Hα-helixtrans-69.9-35.7-177.7-72.3172.3000113.5L218 I407 L413 K433 I434 I435 S439L218-L437 HydrophobicContact CD1-CB 3.93Å; L218-L437 HydrophobicContact CD1-CD1 4.49Å; L218-L437 HydrophobicContact CD2-CB 4.27Å; L218-L437 HydrophobicContact CD2-CD1 4.38Å; I407-L437 HydrophobicContact CD1-CD1 4Å; L413-L437 HydrophobicContact CD1-CD1 4.25Å; L413-L437 HydrophobicContact CD2-CD1 3.99Å; L413-L437 HydrophobicContact CG-CD1 4.31Å; K433-L437 HydrophobicContact CG-CD1 4.28Å; K433-L437 VanDerWaalsContact O-CG 3.3Å; K433-L437 WeakPolarHBondContact O-CG 3.36Å; K433-L437 PolarHBondContact O-N 3.19Å; I434-L437 PolarHBondContact O-N 2.77Å; I435-L437 VanDerWaalsContact C-N 3.35Å; I435-L437 PolarHBondContact O-N 2.99Å; L437-S439 PolarHBondContact O-N 2.8Å
438L94.1Very high93Very high27 Ų2759.9 Ų59.914%0.14132%0.323CS..Hα-helixtrans-67.3-23.3175.7-70.9172.7000112D11 L33 K217 L218 I434 I435 D440 F443D11-L438 HydrophobicContact CB-CD1 4.3Å; L33-L438 HydrophobicContact CD2-CD1 3.68Å; L33-L438 HydrophobicContact CG-CD1 4.21Å; K217-L438 HydrophobicContact CB-CD2 3.83Å; K217-L438 HydrophobicContact CD-CD2 3.72Å; K217-L438 HydrophobicContact CG-CD2 4.47Å; L218-L438 HydrophobicContact CD1-CD1 4.48Å; L218-L438 HydrophobicContact CD1-CD2 3.79Å; L218-L438 HydrophobicContact CD1-CG 3.73Å; L218-L438 HydrophobicContact CG-CD2 4.02Å; L218-L438 HydrophobicContact CG-CG 4.5Å; I434-L438 HydrophobicContact CG2-CD1 4.02Å; I434-L438 WeakPolarHBondContact O-CG 3.48Å; I434-L438 PolarHBondContact O-N 2.86Å; I435-L438 PolarHBondContact O-N 3.16Å; L438-D440 PolarHBondContact O-N 3.46Å; L438-F443 HydrophobicContact CB-CD2 4.48Å; L438-F443 HydrophobicContact CD1-CD2 3.95Å; L438-F443 HydrophobicContact CD1-CE2 3.94Å
439S81.1Confident93Very high109 Ų10963.4 Ų63.476%0.76234%0.338SS*.THydrogen-bonded Turntrans51.527.3178.4-66.60000113.6I435 E436 L437I435-S439 PolarHBondContact O-N 3.38Å; E436-S439 PolarHBondContact O-N 3.03Å; E436-S439 PolarHBondContact O-OG 2.97Å; L437-S439 PolarHBondContact O-N 2.8Å
440D76.8Confident93Very high49 Ų4967.5 Ų67.526%0.26235%0.353SS..  trans-108.2118.2-177.4-167.8-19.4000109.1L438 Q442 F443L438-D440 PolarHBondContact O-N 3.46Å; D440-Q442 PolarHBondContact O-N 3.48Å; D440-Q442 VanDerWaalsContact O-N 3.07Å; D440-Q442 WeakPolarHBondContact OD1-CG 3.44Å; D440-Q442 PolarHBondContact OD1-N 2.89Å; D440-Q442 PolarHBondContact OD2-NE2 3.29Å; D440-F443 HydrophobicContact CB-CD2 3.93Å; D440-F443 HydrophobicContact CB-CE2 3.98Å; D440-F443 PolarHBondContact O-N 3.38Å
441S72.6Confident93Very high118 Ų11870.4 Ų70.483%0.82536%0.364SS*.THydrogen-bonded Turntrans-68.4-4.6-175.456.60000114
442Q90.6Very high93Very high130 Ų13072.1 Ų72.161%0.60738%0.375SS*.THydrogen-bonded Turntrans-82.6-19179.676.8-174-25.200114.1D440D440-Q442 PolarHBondContact O-N 3.48Å; D440-Q442 VanDerWaalsContact O-N 3.07Å; D440-Q442 WeakPolarHBondContact OD1-CG 3.44Å; D440-Q442 PolarHBondContact OD1-N 2.89Å; D440-Q442 PolarHBondContact OD2-NE2 3.29Å
443F94.1Very high93.1Very high13 Ų1366.2 Ų66.26%0.05735%0.35CS..  trans-96.1125.5-177.8-56-55.7000110.9S31 L33 I435 L438 D440S31-F443 WeakPolarHBondContact O-CD1 3.36Å; L33-F443 HydrophobicContact CD1-CB 4.05Å; L33-F443 HydrophobicContact CD1-CD1 3.53Å; L33-F443 HydrophobicContact CD1-CD2 4.34Å; L33-F443 HydrophobicContact CD1-CE1 4.01Å; L33-F443 HydrophobicContact CD1-CG 3.72Å; L33-F443 HydrophobicContact CG-CD1 4.06Å; L33-F443 HydrophobicContact CG-CD2 4.47Å; L33-F443 HydrophobicContact CG-CE1 4.05Å; L33-F443 HydrophobicContact CG-CE2 4.46Å; L33-F443 HydrophobicContact CG-CG 4.27Å; L33-F443 HydrophobicContact CG-CZ 4.25Å; I435-F443 HydrophobicContact CG1-CB 4.16Å; I435-F443 HydrophobicContact CG2-CB 4.45Å; I435-F443 WeakPolarHBondContact CG2-O 3.45Å; L438-F443 HydrophobicContact CB-CD2 4.48Å; L438-F443 HydrophobicContact CD1-CD2 3.95Å; L438-F443 HydrophobicContact CD1-CE2 3.94Å; D440-F443 HydrophobicContact CB-CD2 3.93Å; D440-F443 HydrophobicContact CB-CE2 3.98Å; D440-F443 PolarHBondContact O-N 3.38Å
444E92.5Very high93.2Very high152 Ų15264.1 Ų64.171%0.7134%0.342SS*.  trans-121.5151.1176.2-65.1-173.5170.700110.3S31 I446S31-E444 WeakPolarHBondContact CB-O 3.37Å; S31-E444 PolarHBondContact OG-O 3Å; E444-I446 PolarHBondContact O-N 3.34Å
445L95.3Very high93.2Very high78 Ų7864.1 Ų64.141%0.40834%0.342SS..  trans-65.7129.3172-68.2168.9000109.2M431 K432 I435M431-L445 HydrophobicContact CB-CD2 3.66Å; K432-L445 HydrophobicContact CD-CD1 4.43Å; K432-L445 HydrophobicContact CG-CD1 3.51Å; K432-L445 HydrophobicContact CG-CD2 4.18Å; K432-L445 HydrophobicContact CG-CG 4.46Å; I435-L445 HydrophobicContact CD1-CD2 3.67Å; I435-L445 HydrophobicContact CD1-CG 3.89Å
446I96.3Very high93.3Very high36 Ų3662.9 Ų62.919%0.18534%0.336CS..  trans-71.4160.3168.467.9167.2000111L26 Q27 A30 E444 S448 Y451L26-I446 HydrophobicContact CD2-CD1 4.28Å; Q27-I446 HydrophobicContact CB-CD1 4.34Å; Q27-I446 HydrophobicContact CG-CD1 4.18Å; A30-I446 HydrophobicContact CB-CD1 3.74Å; A30-I446 HydrophobicContact CB-CG2 3.99Å; A30-I446 WeakPolarHBondContact O-CG2 3.49Å; E444-I446 PolarHBondContact O-N 3.34Å; I446-S448 VanDerWaalsContact C-N 3.27Å; I446-S448 PolarHBondContact O-N 3.43Å; I446-Y451 HydrophobicContact CD1-CD1 4.14Å; I446-Y451 HydrophobicContact CD1-CD2 4.35Å; I446-Y451 HydrophobicContact CD1-CG 3.95Å
447D97.2Very high93.3Very high92 Ų9261.2 Ų61.249%0.49233%0.329SS..  trans-77.579.9163.1-1787.5000110E449 N450 Y451D447-E449 PolarHBondContact O-N 3Å; D447-E449 VanDerWaalsContact O-N 3.16Å; D447-E449 PolarHBondContact OD1-N 3.16Å; D447-N450 PolarHBondContact O-N 3.24Å; D447-N450 VanDerWaalsContact O-N 3.16Å; D447-N450 PolarHBondContact OD1-ND2 3.24Å; D447-N450 PolarHBondContact OD2-ND2 3.28Å; D447-Y451 PolarHBondContact O-N 3.08Å
448S97.2Very high93.3Very high6 Ų659.4 Ų59.44%0.04232%0.319CS..THydrogen-bonded Turntrans-66.4-11.8-178.265.30000113.7R424 T428 I446 N450R424-S448 PolarHBondContact NH1-OG 3.39Å; T428-S448 PolarHBondContact OG1-OG 2.99Å; T428-S448 VanDerWaalsContact OG1-OG 3.05Å; I446-S448 VanDerWaalsContact C-N 3.27Å; I446-S448 PolarHBondContact O-N 3.43Å; S448-N450 VanDerWaalsContact C-N 3.31Å
449E96.2Very high93.2Very high92 Ų9262 Ų6243%0.4333%0.333SS..THydrogen-bonded Turntrans-76.9-21.8176-60.6-175.8-177.500112.2I79 I83 R424 D447I79-E449 HydrophobicContact CD1-CG 4.03Å; I79-E449 HydrophobicContact CG2-CB 4.05Å; I79-E449 HydrophobicContact CG2-CG 4.16Å; I83-E449 VanDerWaalsContact CG2-O 3.25Å; I83-E449 WeakPolarHBondContact CG2-O 3.38Å; R424-E449 VanDerWaalsContact CZ-CG 3.46Å; R424-E449 IonicContact CZ-OE1 3.96Å; R424-E449 IonicContact NH1-OE1 2.82Å; R424-E449 PolarHBondContact NH1-OE1 2.91Å; R424-E449 IonicContact NH2-OE1 3.83Å; R424-E449 PolarHBondContact NH2-OE1 3.49Å; D447-E449 PolarHBondContact O-N 3Å; D447-E449 VanDerWaalsContact O-N 3.16Å; D447-E449 PolarHBondContact OD1-N 3.16Å
450N96.6Very high93.7Very high120 Ų12058.6 Ų58.664%0.64231%0.31SS*.SBendtrans-120.218.5179.8-63.8-71.1000112.5D447 S448 P452D447-N450 PolarHBondContact O-N 3.24Å; D447-N450 VanDerWaalsContact O-N 3.16Å; D447-N450 PolarHBondContact OD1-ND2 3.24Å; D447-N450 PolarHBondContact OD2-ND2 3.28Å; S448-N450 VanDerWaalsContact C-N 3.31Å; N450-P452 WeakPolarHBondContact O-CD 3.28Å
451Y97.5Very high94.3Very high61 Ų6164.6 Ų64.624%0.23933%0.333CS..  trans-106.2102.6-178.7-157.2-96.7000111.2L26 A30 R173 D177 I446 D447L26-Y451 HydrophobicContact CD2-CD1 3.73Å; L26-Y451 HydrophobicContact CD2-CE1 4.2Å; L26-Y451 HydrophobicContact CG-CD1 4.43Å; A30-Y451 HydrophobicContact CB-CD1 4.41Å; A30-Y451 HydrophobicContact CB-CE1 3.68Å; A30-Y451 HydrophobicContact CB-CE2 4.22Å; R173-Y451 HydrophobicContact CG-CD1 4.38Å; R173-Y451 HydrophobicContact CG-CE1 3.85Å; D177-Y451 VanDerWaalsContact CG-OH 3.22Å; D177-Y451 PolarHBondContact OD1-OH 2.93Å; D177-Y451 VanDerWaalsContact OD1-OH 3.1Å; D177-Y451 WeakPolarHBondContact OD2-CE1 3.23Å; D177-Y451 PolarHBondContact OD2-OH 3.29Å; I446-Y451 HydrophobicContact CD1-CD1 4.14Å; I446-Y451 HydrophobicContact CD1-CD2 4.35Å; I446-Y451 HydrophobicContact CD1-CG 3.95Å; D447-Y451 PolarHBondContact O-N 3.08Å
452P97.8Very high95.2Very high36 Ų3662.5 Ų62.523%0.23431%0.313CS..PPolyproline II helixtrans-69.5142.3-172.327.7-34.3000112.6I83 R173 N450 E457I83-P452 VanDerWaalsContact O-CA 3.29Å; I83-P452 WeakPolarHBondContact O-CA 3.41Å; R173-P452 PolarHBondContact NE-O 3.47Å; N450-P452 WeakPolarHBondContact O-CD 3.28Å; P452-E457 HydrophobicContact CG-CG 4.22Å
453V98.4Very high95.3Very high1 Ų157 Ų571%0.00629%0.288CS..PPolyproline II helixtrans-67.7167.9165.9-54.90000109.8L26 I83 A84 I87 E169 G455 G456L26-V453 HydrophobicContact CD1-CG1 4.12Å; I83-V453 PolarHBondContact O-N 3.29Å; A84-V453 HydrophobicContact CB-CG1 4.49Å; A84-V453 HydrophobicContact CB-CG2 3.5Å; A84-V453 VanDerWaalsContact CB-CG2 3.5Å; I87-V453 HydrophobicContact CD1-CG2 4.42Å; E169-V453 HydrophobicContact CB-CB 4.05Å; E169-V453 HydrophobicContact CB-CG2 3.83Å; V453-G455 PolarHBondContact O-N 3.43Å; V453-G456 WeakPolarHBondContact O-CA 3.3Å; V453-G456 PolarHBondContact O-N 2.96Å
454S98.6Very high95.3Very high13 Ų1361.5 Ų61.59%0.09131%0.313CS..THydrogen-bonded Turntrans-60.4136.5176.9-168.20000110.3H86 E169 G456 N494H86-S454 PolarHBondContact CE1-O 3.39Å; E169-S454 WeakPolarHBondContact CB-O 3.44Å; E169-S454 VanDerWaalsContact CD-O 3.25Å; E169-S454 WeakPolarHBondContact CG-O 3.45Å; E169-S454 WeakPolarHBondContact O-CB 3.31Å; E169-S454 PolarHBondContact O-N 2.96Å; E169-S454 VanDerWaalsContact OE2-CB 3.28Å; E169-S454 WeakPolarHBondContact OE2-CB 3.38Å; E169-S454 VanDerWaalsContact OE2-O 3.05Å; S454-G456 PolarHBondContact O-N 2.94Å; S454-N494 PolarHBondContact OG-ND2 3.45Å
455G98.1Very high95.4Very high0 Ų059.8 Ų59.80%031%0.305CS..THydrogen-bonded Turntrans83.3-11.8-17400000113.6H86 V453 E457 Y491 S493 N494H86-G455 PolarHBondContact CE1-O 3.34Å; H86-G455 PolarHBondContact ND1-O 2.88Å; V453-G455 PolarHBondContact O-N 3.43Å; G455-E457 VanDerWaalsContact C-N 3.35Å; G455-E457 PolarHBondContact N-OE2 3.48Å; G455-E457 PolarHBondContact O-N 2.93Å; G455-Y491 WeakPolarHBondContact CA-O 3.22Å; G455-S493 VanDerWaalsContact C-OG 3.26Å; G455-S493 WeakPolarHBondContact CA-OG 3.12Å; G455-S493 PolarHBondContact O-N 2.9Å; G455-S493 PolarHBondContact O-OG 3.23Å; G455-N494 WeakPolarHBondContact CA-ND2 3.34Å; G455-N494 PolarHBondContact N-ND2 3.48Å
456G97.5Very high95.5Very high3 Ų357 Ų573%0.03129%0.294CS..  trans-83.1-2.2-17300000115.1P85 V453 S454 L458P85-G456 WeakPolarHBondContact CD-O 3.43Å; P85-G456 WeakPolarHBondContact CG-O 3.14Å; V453-G456 WeakPolarHBondContact O-CA 3.3Å; V453-G456 PolarHBondContact O-N 2.96Å; S454-G456 PolarHBondContact O-N 2.94Å; G456-L458 PolarHBondContact O-N 3.36Å
457E96.4Very high95.5Very high82 Ų8255.6 Ų55.638%0.38329%0.286SS..  trans-76.960.4-177.3-52.673.5-155.100111.9R173 P452 G455 S493R173-E457 IonicContact CZ-OE1 3.12Å; R173-E457 IonicContact NH2-OE1 2.96Å; R173-E457 PolarHBondContact NH2-OE1 2.87Å; P452-E457 HydrophobicContact CG-CG 4.22Å; G455-E457 VanDerWaalsContact C-N 3.35Å; G455-E457 PolarHBondContact N-OE2 3.48Å; G455-E457 PolarHBondContact O-N 2.93Å; E457-S493 PolarHBondContact OE2-OG 2.84Å
458L94.5Very high95.5Very high30 Ų3055.4 Ų55.416%0.15728%0.282CS..SBendtrans-122.3163.1179.7-54.3173.9000110.2P85 H86 G456 S460 A466 L467 I470P85-L458 HydrophobicContact CB-CB 4.44Å; P85-L458 HydrophobicContact CG-CB 3.75Å; P85-L458 HydrophobicContact CG-CD1 4.22Å; P85-L458 HydrophobicContact CG-CG 4.29Å; H86-L458 HydrophobicContact CB-CD1 3.97Å; G456-L458 PolarHBondContact O-N 3.36Å; L458-S460 PolarHBondContact O-N 3.04Å; L458-A466 HydrophobicContact CB-CB 4.38Å; L458-A466 HydrophobicContact CD2-CB 4.47Å; L458-L467 HydrophobicContact CD1-CD2 3.67Å; L458-L467 HydrophobicContact CD1-CG 4.38Å; L458-I470 HydrophobicContact CD2-CD1 3.47Å; L458-I470 VanDerWaalsContact CD2-CD1 3.47Å
459D92.5Very high95.5Very high80 Ų8057.6 Ų57.643%0.42830%0.301SS..  trans-70100.3166.8-178.3-0.3000109.5K461 N462 V463D459-K461 PolarHBondContact O-N 2.8Å; D459-K461 VanDerWaalsContact O-N 3.08Å; D459-K461 WeakPolarHBondContact OD1-CB 3.4Å; D459-K461 PolarHBondContact OD1-N 3.3Å; D459-N462 CarbonylContact O-C 3.59Å; D459-N462 PolarHBondContact O-N 3.38Å; D459-N462 VanDerWaalsContact O-N 3.08Å; D459-N462 PolarHBondContact OD2-ND2 3.45Å; D459-V463 PolarHBondContact O-N 2.96Å
460S91.4Very high95.6Very high39 Ų3953.7 Ų53.727%0.27328%0.283SS..THydrogen-bonded Turntrans-62.6-14.9-178.460.50000114.1Q81 L458 V463Q81-S460 PolarHBondContact NE2-O 3.44Å; L458-S460 PolarHBondContact O-N 3.04Å; S460-V463 WeakPolarHBondContact O-CG2 3.37Å
461K89.2Confident95.6Very high174 Ų17448 Ų4876%0.75725%0.252SS*.THydrogen-bonded Turntrans-86.6-25.5176.1-63179.5-178.8174.80113.1D459D459-K461 PolarHBondContact O-N 2.8Å; D459-K461 VanDerWaalsContact O-N 3.08Å; D459-K461 WeakPolarHBondContact OD1-CB 3.4Å; D459-K461 PolarHBondContact OD1-N 3.3Å
462N92Very high95.7Very high74 Ų7449.5 Ų49.540%0.39626%0.26SS..SBendtrans-130.854.2-175.7-56.3-69.2000109.9D459 E465 A466D459-N462 CarbonylContact O-C 3.59Å; D459-N462 PolarHBondContact O-N 3.38Å; D459-N462 VanDerWaalsContact O-N 3.08Å; D459-N462 PolarHBondContact OD2-ND2 3.45Å; N462-E465 VanDerWaalsContact C-OE2 3.31Å; N462-E465 WeakPolarHBondContact CA-OE2 3.37Å; N462-E465 HydrophobicContact CB-CB 4.4Å; N462-E465 WeakPolarHBondContact CB-OE2 3.31Å; N462-E465 PolarHBondContact O-N 3.02Å; N462-A466 WeakPolarHBondContact O-CB 3.35Å; N462-A466 PolarHBondContact O-N 2.96Å
463V93Very high95.6Very high16 Ų1652 Ų5210%0.09727%0.267CS..Hα-helixtrans-61.2-46.7-173.1179.20000111.5P85 D459 S460 E465 A466 L467P85-V463 HydrophobicContact CB-CG1 4.4Å; P85-V463 HydrophobicContact CB-CG2 3.66Å; P85-V463 WeakPolarHBondContact O-CG1 3.43Å; D459-V463 PolarHBondContact O-N 2.96Å; S460-V463 WeakPolarHBondContact O-CG2 3.37Å; V463-E465 VanDerWaalsContact C-N 3.33Å; V463-E465 PolarHBondContact O-N 2.96Å; V463-A466 PolarHBondContact O-N 3.18Å; V463-L467 HydrophobicContact CG1-CD1 3.77Å; V463-L467 HydrophobicContact CG1-CG 4.15Å; V463-L467 WeakPolarHBondContact O-CB 3.22Å; V463-L467 VanDerWaalsContact O-CG 3.28Å; V463-L467 WeakPolarHBondContact O-CG 3.25Å; V463-L467 PolarHBondContact O-N 3.21Å
464D93Very high95.5Very high107 Ų10751.9 Ų51.957%0.57227%0.267SS*.Hα-helixtrans-63-42.6-176-67-30.1000110.9L467 E468D464-L467 PolarHBondContact O-N 3.36Å; D464-E468 WeakPolarHBondContact O-CB 3.45Å; D464-E468 PolarHBondContact O-N 3.14Å
465E95.6Very high95.5Very high115 Ų11555.6 Ų55.654%0.53728%0.282SS..Hα-helixtrans-66.3-39.7176.1-62.983175.700112.2N462 V463 E468 A469N462-E465 VanDerWaalsContact C-OE2 3.31Å; N462-E465 WeakPolarHBondContact CA-OE2 3.37Å; N462-E465 HydrophobicContact CB-CB 4.4Å; N462-E465 WeakPolarHBondContact CB-OE2 3.31Å; N462-E465 PolarHBondContact O-N 3.02Å; V463-E465 VanDerWaalsContact C-N 3.33Å; V463-E465 PolarHBondContact O-N 2.96Å; E465-E468 PolarHBondContact O-N 2.9Å; E465-A469 WeakPolarHBondContact O-CB 3.29Å; E465-A469 PolarHBondContact O-N 2.93Å
466A96.4Very high95.3Very high21 Ų2162.3 Ų62.317%0.17432%0.319CS..Hα-helixtrans-64.1-44.3176.700000111.5L458 N462 V463 A469 I470L458-A466 HydrophobicContact CB-CB 4.38Å; L458-A466 HydrophobicContact CD2-CB 4.47Å; N462-A466 WeakPolarHBondContact O-CB 3.35Å; N462-A466 PolarHBondContact O-N 2.96Å; V463-A466 PolarHBondContact O-N 3.18Å; A466-A469 PolarHBondContact O-N 3.28Å; A466-I470 WeakPolarHBondContact O-CG1 3.47Å; A466-I470 PolarHBondContact O-N 3.22Å; A466-I470 VanDerWaalsContact O-N 3.12Å
467L96.9Very high95Very high6 Ų665.5 Ų65.53%0.03133%0.332CS..Hα-helixtrans-68.1-38.9177.2-67.1179.3000111.9H86 L458 V463 D464 A469 I470 A471 A488 E489H86-L467 HydrophobicContact CB-CD2 4.33Å; L458-L467 HydrophobicContact CD1-CD2 3.67Å; L458-L467 HydrophobicContact CD1-CG 4.38Å; V463-L467 HydrophobicContact CG1-CD1 3.77Å; V463-L467 HydrophobicContact CG1-CG 4.15Å; V463-L467 WeakPolarHBondContact O-CB 3.22Å; V463-L467 VanDerWaalsContact O-CG 3.28Å; V463-L467 WeakPolarHBondContact O-CG 3.25Å; V463-L467 PolarHBondContact O-N 3.21Å; D464-L467 PolarHBondContact O-N 3.36Å; L467-A469 VanDerWaalsContact C-N 3.34Å; L467-A469 PolarHBondContact O-N 3.44Å; L467-I470 PolarHBondContact O-N 2.77Å; L467-A471 WeakPolarHBondContact O-CB 3.43Å; L467-A471 PolarHBondContact O-N 3.01Å; L467-A488 VanDerWaalsContact CD2-O 3.29Å; L467-A488 WeakPolarHBondContact CD2-O 3.38Å; L467-E489 HydrophobicContact CD1-CG 4.2Å
468E97Very high94.8Very high87 Ų8764.5 Ų64.541%0.40735%0.345SS..Hα-helixtrans-62.6-40.8174.1-173.1-177.5149.200111.7D464 E465 I470 A471 K472 F481D464-E468 WeakPolarHBondContact O-CB 3.45Å; D464-E468 PolarHBondContact O-N 3.14Å; E465-E468 PolarHBondContact O-N 2.9Å; E468-I470 VanDerWaalsContact C-N 3.3Å; E468-I470 PolarHBondContact O-N 3.38Å; E468-A471 PolarHBondContact O-N 2.8Å; E468-K472 WeakPolarHBondContact O-CG 3.5Å; E468-K472 PolarHBondContact O-N 2.98Å; E468-K472 VanDerWaalsContact OE1-CE 3.26Å; E468-K472 WeakPolarHBondContact OE1-CE 3.48Å; E468-K472 IonicContact OE1-NZ 2.97Å; E468-K472 PolarHBondContact OE1-NZ 2.86Å; E468-F481 HydrophobicContact CG-CE2 4.38Å; E468-F481 HydrophobicContact CG-CZ 4.09Å
469A97.3Very high94.8Very high52 Ų5263.7 Ų63.743%0.4334%0.34SS..Hα-helixtrans-63-37.8175.800000112.1E465 A466 L467E465-A469 WeakPolarHBondContact O-CB 3.29Å; E465-A469 PolarHBondContact O-N 2.93Å; A466-A469 PolarHBondContact O-N 3.28Å; L467-A469 VanDerWaalsContact C-N 3.34Å; L467-A469 PolarHBondContact O-N 3.44Å
470I97.6Very high95Very high11 Ų1162.5 Ų62.56%0.05634%0.338CS..Hα-helixtrans-67.8-44.4173.7-69.4169000110.7L458 A466 L467 E468 K472 K473 G474 A488 A495 F499L458-I470 HydrophobicContact CD2-CD1 3.47Å; L458-I470 VanDerWaalsContact CD2-CD1 3.47Å; A466-I470 WeakPolarHBondContact O-CG1 3.47Å; A466-I470 PolarHBondContact O-N 3.22Å; A466-I470 VanDerWaalsContact O-N 3.12Å; L467-I470 PolarHBondContact O-N 2.77Å; E468-I470 VanDerWaalsContact C-N 3.3Å; E468-I470 PolarHBondContact O-N 3.38Å; I470-K472 VanDerWaalsContact C-N 3.3Å; I470-K472 PolarHBondContact O-N 2.99Å; I470-K473 WeakPolarHBondContact O-CB 3.23Å; I470-K473 PolarHBondContact O-N 3.26Å; I470-G474 PolarHBondContact O-N 2.92Å; I470-A488 HydrophobicContact CB-CB 4.18Å; I470-A488 HydrophobicContact CG2-CB 3.77Å; I470-A495 HydrophobicContact CG2-CB 3.6Å; I470-F499 HydrophobicContact CG2-CE2 3.98Å; I470-F499 WeakPolarHBondContact O-CE2 3.18Å
471A97.9Very high95.3Very high0 Ų063.8 Ų63.80%034%0.339CS..Hα-helixtrans-58.3-40.7178.200000112.1L467 E468 K473 G474 E475 F481 A484 K485 A488L467-A471 WeakPolarHBondContact O-CB 3.43Å; L467-A471 PolarHBondContact O-N 3.01Å; E468-A471 PolarHBondContact O-N 2.8Å; A471-K473 VanDerWaalsContact C-N 3.26Å; A471-K473 PolarHBondContact O-N 3.28Å; A471-G474 WeakPolarHBondContact O-CA 3.49Å; A471-G474 PolarHBondContact O-N 2.99Å; A471-E475 PolarHBondContact O-N 2.92Å; A471-F481 HydrophobicContact CB-CE2 4.01Å; A471-F481 HydrophobicContact CB-CZ 4.48Å; A471-A484 HydrophobicContact CB-CB 4.39Å; A471-A484 WeakPolarHBondContact O-CB 3.1Å; A471-K485 HydrophobicContact CB-CB 4.05Å; A471-A488 HydrophobicContact CB-CB 4.27Å
472K97.8Very high95.6Very high93 Ų9363.1 Ų63.140%0.40434%0.338SS..Hα-helixtrans-58.4-35.6174.8-74.7172.2-177.1161.30112.9E468 I470 G474 E475 D476 F481E468-K472 WeakPolarHBondContact O-CG 3.5Å; E468-K472 PolarHBondContact O-N 2.98Å; E468-K472 VanDerWaalsContact OE1-CE 3.26Å; E468-K472 WeakPolarHBondContact OE1-CE 3.48Å; E468-K472 IonicContact OE1-NZ 2.97Å; E468-K472 PolarHBondContact OE1-NZ 2.86Å; I470-K472 VanDerWaalsContact C-N 3.3Å; I470-K472 PolarHBondContact O-N 2.99Å; K472-G474 VanDerWaalsContact C-N 3.3Å; K472-G474 PolarHBondContact O-N 3.5Å; K472-E475 PolarHBondContact O-N 2.99Å; K472-D476 VanDerWaalsContact O-CG 3.28Å; K472-D476 PolarHBondContact O-N 3.18Å; K472-F481 HydrophobicContact CG-CE2 4.27Å
473K96.9Very high95.8Very high87 Ų8762.5 Ų62.538%0.37833%0.333SS..Hα-helixtrans-65.4-33.5174.4-61.7178.9178.1-177.80112.5I470 A471 Q477 E496I470-K473 WeakPolarHBondContact O-CB 3.23Å; I470-K473 PolarHBondContact O-N 3.26Å; A471-K473 VanDerWaalsContact C-N 3.26Å; A471-K473 PolarHBondContact O-N 3.28Å; K473-Q477 WeakPolarHBondContact O-CG 3.36Å; K473-Q477 PolarHBondContact O-N 2.94Å; K473-Q477 PolarHBondContact O-NE2 3.39Å; K473-E496 HydrophobicContact CD-CG 4.26Å; K473-E496 IonicContact NZ-OE1 3.49Å; K473-E496 PolarHBondContact NZ-OE1 2.98Å; K473-E496 IonicContact NZ-OE2 3.7Å; K473-E496 PolarHBondContact NZ-OE2 3.45Å; K473-E496 VanDerWaalsContact NZ-OE2 3.17Å
474G96.9Very high96Very high0 Ų061.7 Ų61.70%033%0.329CS..Hα-helixtrans-72.2-38.9174.200000112.3I470 A471 K472 Q477 G478 L479I470-G474 PolarHBondContact O-N 2.92Å; A471-G474 WeakPolarHBondContact O-CA 3.49Å; A471-G474 PolarHBondContact O-N 2.99Å; K472-G474 VanDerWaalsContact C-N 3.3Å; K472-G474 PolarHBondContact O-N 3.5Å; G474-Q477 CarbonylContact O-C 3.51Å; G474-Q477 WeakPolarHBondContact O-CA 3.37Å; G474-Q477 WeakPolarHBondContact O-CB 3.37Å; G474-Q477 PolarHBondContact O-N 3.36Å; G474-Q477 VanDerWaalsContact O-N 3.08Å; G474-G478 PolarHBondContact O-N 2.92Å; G474-L479 WeakPolarHBondContact O-CB 3.33Å; G474-L479 PolarHBondContact O-N 2.99Å
475E96.6Very high96.2Very high90 Ų9061.1 Ų61.142%0.42132%0.321SS..Hα-helixtrans-62.4-43.7173.3-175.2177.2-143.500111.8A471 K472 Q477 G478A471-E475 PolarHBondContact O-N 2.92Å; K472-E475 PolarHBondContact O-N 2.99Å; E475-Q477 PolarHBondContact O-N 3.38Å; E475-Q477 VanDerWaalsContact O-N 3.11Å; E475-G478 PolarHBondContact O-N 3.49Å
476D94.6Very high96.2Very high142 Ų14258.4 Ų58.476%0.75931%0.307SS*.THydrogen-bonded Turntrans-59.8-22.8173.5-72.5-24.3000112.5K472K472-D476 VanDerWaalsContact O-CG 3.28Å; K472-D476 PolarHBondContact O-N 3.18Å
477Q91.2Very high96.3Very high69 Ų6957.5 Ų57.532%0.32230%0.299SS..THydrogen-bonded Turntrans-90.85.3174.3-68.8-178.654.700113.4K473 G474 E475 F499 K502K473-Q477 WeakPolarHBondContact O-CG 3.36Å; K473-Q477 PolarHBondContact O-N 2.94Å; K473-Q477 PolarHBondContact O-NE2 3.39Å; G474-Q477 CarbonylContact O-C 3.51Å; G474-Q477 WeakPolarHBondContact O-CA 3.37Å; G474-Q477 WeakPolarHBondContact O-CB 3.37Å; G474-Q477 PolarHBondContact O-N 3.36Å; G474-Q477 VanDerWaalsContact O-N 3.08Å; E475-Q477 PolarHBondContact O-N 3.38Å; E475-Q477 VanDerWaalsContact O-N 3.11Å; Q477-F499 PolarHBondContact OE1-O 3.45Å; Q477-K502 HydrophobicContact CB-CD 4.25Å; Q477-K502 VanDerWaalsContact O-CD 3.29Å; Q477-K502 WeakPolarHBondContact O-CD 3.46Å; Q477-K502 WeakPolarHBondContact O-CE 3.4Å; Q477-K502 PolarHBondContact O-NZ 3.23Å
478G91.7Very high96.3Very high62 Ų6257.2 Ų57.264%0.63930%0.298SS*.THydrogen-bonded Turntrans91.811.5171.600000115.5G474 E475G474-G478 PolarHBondContact O-N 2.92Å; E475-G478 PolarHBondContact O-N 3.49Å
479L95.5Very high96.3Very high13 Ų1356.2 Ų56.27%0.06829%0.293CS..  trans-74.3158163-67.4178.7000110.4G474 A484 I487 F499 L512 A513 M516G474-L479 WeakPolarHBondContact O-CB 3.33Å; G474-L479 PolarHBondContact O-N 2.99Å; L479-A484 HydrophobicContact CB-CB 4.18Å; L479-A484 HydrophobicContact CD1-CB 4.15Å; L479-I487 HydrophobicContact CD1-CD1 4.09Å; L479-F499 HydrophobicContact CD1-CD1 3.71Å; L479-F499 HydrophobicContact CD1-CE1 3.61Å; L479-L512 HydrophobicContact CD2-CB 4.47Å; L479-L512 HydrophobicContact CD2-CD2 4.23Å; L479-L512 HydrophobicContact CD2-CG 4.28Å; L479-A513 HydrophobicContact CD2-CB 4.09Å; L479-M516 HydrophobicContact CD1-CE 3.7Å; L479-M516 HydrophobicContact CD2-CE 3.62Å; L479-M516 HydrophobicContact CG-CE 4Å
480S96.6Very high96.3Very high54 Ų5454.5 Ų54.538%0.37828%0.277SS..  trans-65.6150161.166.90000110E482 E483 A484S480-E482 PolarHBondContact O-N 3.31Å; S480-E483 WeakPolarHBondContact CB-OE2 3.49Å; S480-E483 PolarHBondContact N-OE2 3.47Å; S480-E483 VanDerWaalsContact N-OE2 3.1Å; S480-E483 PolarHBondContact O-N 2.95Å; S480-E483 WeakPolarHBondContact OG-CB 3.46Å; S480-E483 VanDerWaalsContact OG-CD 3.29Å; S480-E483 WeakPolarHBondContact OG-CG 3.22Å; S480-E483 PolarHBondContact OG-N 3.35Å; S480-E483 PolarHBondContact OG-OE2 2.97Å; S480-A484 WeakPolarHBondContact O-CB 3.38Å; S480-A484 PolarHBondContact O-N 2.88Å
481F97.1Very high96.3Very high67 Ų6754 Ų5429%0.29427%0.274SS..Hα-helixtrans-57.1-35.1176-178.3-99000112.2E468 A471 K472 K485E468-F481 HydrophobicContact CG-CE2 4.38Å; E468-F481 HydrophobicContact CG-CZ 4.09Å; A471-F481 HydrophobicContact CB-CE2 4.01Å; A471-F481 HydrophobicContact CB-CZ 4.48Å; K472-F481 HydrophobicContact CG-CE2 4.27Å; F481-K485 HydrophobicContact CE1-CB 4.48Å; F481-K485 HydrophobicContact CE1-CD 4.02Å; F481-K485 HydrophobicContact CZ-CD 4.47Å; F481-K485 WeakPolarHBondContact O-CB 3.39Å; F481-K485 PolarHBondContact O-N 3.15Å
482E95.5Very high96.3Very high159 Ų15954 Ų5474%0.74327%0.274SS*.Hα-helixtrans-64.2-48.4177.4-173.9175.8179.900112.1S480 K485 F486S480-E482 PolarHBondContact O-N 3.31Å; E482-K485 PolarHBondContact O-N 2.88Å; E482-F486 WeakPolarHBondContact O-CB 3.33Å; E482-F486 PolarHBondContact O-N 3.31Å
483E96.3Very high96.3Very high61 Ų6150.8 Ų50.829%0.28526%0.264SS..Hα-helixtrans-62.7-44.6175.4-73.2167.6127.700111.9S480 K485 F486 I487 S511 A513S480-E483 WeakPolarHBondContact CB-OE2 3.49Å; S480-E483 PolarHBondContact N-OE2 3.47Å; S480-E483 VanDerWaalsContact N-OE2 3.1Å; S480-E483 PolarHBondContact O-N 2.95Å; S480-E483 WeakPolarHBondContact OG-CB 3.46Å; S480-E483 VanDerWaalsContact OG-CD 3.29Å; S480-E483 WeakPolarHBondContact OG-CG 3.22Å; S480-E483 PolarHBondContact OG-N 3.35Å; S480-E483 PolarHBondContact OG-OE2 2.97Å; E483-K485 VanDerWaalsContact C-N 3.32Å; E483-K485 PolarHBondContact O-N 3.5Å; E483-F486 PolarHBondContact O-N 2.81Å; E483-I487 WeakPolarHBondContact O-CG1 3.43Å; E483-I487 PolarHBondContact O-N 2.86Å; E483-S511 PolarHBondContact OE1-OG 3.42Å; E483-A513 HydrophobicContact CB-CB 3.79Å; E483-A513 HydrophobicContact CG-CB 3.88Å
484A98Very high96.4Very high0 Ų046.9 Ų46.90%025%0.247CC..Hα-helixtrans-64.6-38.817900000111.7A471 L479 S480 I487 A488 F499A471-A484 HydrophobicContact CB-CB 4.39Å; A471-A484 WeakPolarHBondContact O-CB 3.1Å; L479-A484 HydrophobicContact CB-CB 4.18Å; L479-A484 HydrophobicContact CD1-CB 4.15Å; S480-A484 WeakPolarHBondContact O-CB 3.38Å; S480-A484 PolarHBondContact O-N 2.88Å; A484-I487 PolarHBondContact O-N 2.83Å; A484-A488 WeakPolarHBondContact O-CB 3.3Å; A484-A488 PolarHBondContact O-N 2.82Å; A484-F499 HydrophobicContact CB-CE1 4.36Å; A484-F499 HydrophobicContact CB-CZ 4.22Å
485K97Very high96.5Very high95 Ų9546.9 Ų46.941%0.41325%0.247SC..Hα-helixtrans-65.7-44.1174.9-177.6175.2174.8178.70111.5A471 F481 E482 E483 I487 A488 E489A471-K485 HydrophobicContact CB-CB 4.05Å; F481-K485 HydrophobicContact CE1-CB 4.48Å; F481-K485 HydrophobicContact CE1-CD 4.02Å; F481-K485 HydrophobicContact CZ-CD 4.47Å; F481-K485 WeakPolarHBondContact O-CB 3.39Å; F481-K485 PolarHBondContact O-N 3.15Å; E482-K485 PolarHBondContact O-N 2.88Å; E483-K485 VanDerWaalsContact C-N 3.32Å; E483-K485 PolarHBondContact O-N 3.5Å; K485-I487 VanDerWaalsContact C-N 3.33Å; K485-I487 PolarHBondContact O-N 2.81Å; K485-A488 PolarHBondContact O-N 3.37Å; K485-E489 WeakPolarHBondContact CE-OE1 3.32Å; K485-E489 HydrophobicContact CG-CG 4.29Å; K485-E489 IonicContact NZ-OE1 2.83Å; K485-E489 WeakPolarHBondContact O-CB 3.44Å; K485-E489 WeakPolarHBondContact O-CG 3.38Å; K485-E489 PolarHBondContact O-N 3.14Å
486F95.3Very high96.5Very high58 Ų5846.8 Ų46.825%0.25425%0.246SC..Hα-helixtrans-57.4-45.7175.5-178.9-94.2000111.8E482 E483 E489 L490 I544E482-F486 WeakPolarHBondContact O-CB 3.33Å; E482-F486 PolarHBondContact O-N 3.31Å; E483-F486 PolarHBondContact O-N 2.81Å; F486-E489 PolarHBondContact O-N 3.24Å; F486-L490 HydrophobicContact CE1-CD2 4.11Å; F486-L490 HydrophobicContact CZ-CD2 4.47Å; F486-L490 WeakPolarHBondContact O-CB 3.41Å; F486-L490 PolarHBondContact O-N 2.68Å; F486-I544 HydrophobicContact CE2-CD1 3.97Å; F486-I544 HydrophobicContact CZ-CD1 3.9Å
487I98Very high96.6Very high1 Ų144.9 Ų44.91%0.00523%0.231CC..Hα-helixtrans-63.5-45.9176.1-67.5172.1000110.9L479 E483 A484 K485 E489 L490 Y491 A495 V498 F499 A513 M516L479-I487 HydrophobicContact CD1-CD1 4.09Å; E483-I487 WeakPolarHBondContact O-CG1 3.43Å; E483-I487 PolarHBondContact O-N 2.86Å; A484-I487 PolarHBondContact O-N 2.83Å; K485-I487 VanDerWaalsContact C-N 3.33Å; K485-I487 PolarHBondContact O-N 2.81Å; I487-E489 VanDerWaalsContact C-N 3.33Å; I487-E489 PolarHBondContact O-N 2.94Å; I487-L490 PolarHBondContact O-N 2.99Å; I487-Y491 HydrophobicContact CB-CD2 4.43Å; I487-Y491 HydrophobicContact CG2-CD2 3.75Å; I487-Y491 HydrophobicContact CG2-CE2 4.29Å; I487-Y491 VanDerWaalsContact O-CD2 3.32Å; I487-Y491 WeakPolarHBondContact O-CD2 3.41Å; I487-Y491 PolarHBondContact O-N 2.99Å; I487-A495 HydrophobicContact CG2-CB 3.84Å; I487-V498 HydrophobicContact CD1-CG1 4.23Å; I487-V498 HydrophobicContact CG2-CB 3.86Å; I487-V498 HydrophobicContact CG2-CG1 3.81Å; I487-V498 HydrophobicContact CG2-CG2 4.22Å; I487-F499 HydrophobicContact CB-CE1 3.84Å; I487-F499 HydrophobicContact CB-CZ 4.22Å; I487-F499 HydrophobicContact CD1-CD1 4.4Å; I487-F499 HydrophobicContact CD1-CE1 3.92Å; I487-F499 HydrophobicContact CG1-CE1 4.48Å; I487-F499 HydrophobicContact CG2-CD1 4.25Å; I487-F499 HydrophobicContact CG2-CE1 3.56Å; I487-F499 HydrophobicContact CG2-CZ 3.96Å; I487-A513 HydrophobicContact CD1-CB 4Å; I487-M516 HydrophobicContact CD1-CE 4.43Å
488A98Very high97Very high0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-58-45.9177.200000111.6L467 I470 A471 A484 K485 L490 G492 A495L467-A488 VanDerWaalsContact CD2-O 3.29Å; L467-A488 WeakPolarHBondContact CD2-O 3.38Å; I470-A488 HydrophobicContact CB-CB 4.18Å; I470-A488 HydrophobicContact CG2-CB 3.77Å; A471-A488 HydrophobicContact CB-CB 4.27Å; A484-A488 WeakPolarHBondContact O-CB 3.3Å; A484-A488 PolarHBondContact O-N 2.82Å; K485-A488 PolarHBondContact O-N 3.37Å; A488-L490 VanDerWaalsContact C-N 3.34Å; A488-L490 PolarHBondContact O-N 3.37Å; A488-G492 VanDerWaalsContact O-CA 3.3Å; A488-G492 WeakPolarHBondContact O-CA 3.46Å; A488-G492 PolarHBondContact O-N 3.01Å; A488-A495 HydrophobicContact CB-CB 4.48Å
489E96.5Very high97.3Very high66 Ų6638.7 Ų38.731%0.30819%0.186SC..Hα-helixtrans-67.2-31.6179.4-70.7-164.8-169.100113.7K89 L467 K485 F486 I487K89-E489 IonicContact NZ-OE1 2.77Å; K89-E489 IonicContact NZ-OE2 2.97Å; K89-E489 PolarHBondContact NZ-OE2 2.86Å; L467-E489 HydrophobicContact CD1-CG 4.2Å; K485-E489 WeakPolarHBondContact CE-OE1 3.32Å; K485-E489 HydrophobicContact CG-CG 4.29Å; K485-E489 IonicContact NZ-OE1 2.83Å; K485-E489 WeakPolarHBondContact O-CB 3.44Å; K485-E489 WeakPolarHBondContact O-CG 3.38Å; K485-E489 PolarHBondContact O-N 3.14Å; F486-E489 PolarHBondContact O-N 3.24Å; I487-E489 VanDerWaalsContact C-N 3.33Å; I487-E489 PolarHBondContact O-N 2.94Å
490L97.1Very high97.3Very high16 Ų1641.4 Ų41.48%0.08421%0.21CC..Hα-helixtrans-81.6-38.5-178.7-174.860.3000113.2R165 F486 I487 A488 T538R165-L490 HydrophobicContact CG-CD1 3.97Å; F486-L490 HydrophobicContact CE1-CD2 4.11Å; F486-L490 HydrophobicContact CZ-CD2 4.47Å; F486-L490 WeakPolarHBondContact O-CB 3.41Å; F486-L490 PolarHBondContact O-N 2.68Å; I487-L490 PolarHBondContact O-N 2.99Å; A488-L490 VanDerWaalsContact C-N 3.34Å; A488-L490 PolarHBondContact O-N 3.37Å; L490-T538 HydrophobicContact CD2-CG2 4.37Å
491Y98.2Very high97.3Very high0 Ų039.7 Ų39.70%020%0.197CC..Hα-helixtrans-111.5-7.1-170.8-60.3-72.9000114.2R165 G455 I487 S493 N494 V498 Y520R165-Y491 VanDerWaalsContact NH2-CD1 3.25Å; G455-Y491 WeakPolarHBondContact CA-O 3.22Å; I487-Y491 HydrophobicContact CB-CD2 4.43Å; I487-Y491 HydrophobicContact CG2-CD2 3.75Å; I487-Y491 HydrophobicContact CG2-CE2 4.29Å; I487-Y491 VanDerWaalsContact O-CD2 3.32Å; I487-Y491 WeakPolarHBondContact O-CD2 3.41Å; I487-Y491 PolarHBondContact O-N 2.99Å; Y491-S493 PolarHBondContact O-N 2.53Å; Y491-N494 WeakPolarHBondContact O-CB 3.38Å; Y491-N494 PolarHBondContact O-N 3.33Å; Y491-N494 VanDerWaalsContact O-N 3.07Å; Y491-V498 HydrophobicContact CD1-CG2 4.49Å; Y491-V498 HydrophobicContact CD2-CG2 3.85Å; Y491-V498 HydrophobicContact CE2-CG2 4.17Å; Y491-V498 HydrophobicContact CG-CG2 4.02Å; Y491-Y520 AromaticContact CD1-CD1 3.8Å; Y491-Y520 HydrophobicContact CD1-CD1 3.8Å; Y491-Y520 AromaticContact CD1-CE1 3.51Å; Y491-Y520 HydrophobicContact CD1-CE1 3.51Å; Y491-Y520 AromaticContact CE1-CD1 3.53Å; Y491-Y520 HydrophobicContact CE1-CD1 3.53Å; Y491-Y520 AromaticContact CE1-CE1 3.66Å; Y491-Y520 HydrophobicContact CE1-CE1 3.66Å; Y491-Y520 HydrophobicContact CG-CE1 4.39Å
492G98.2Very high97.2Very high0 Ų040 Ų400%020%0.198CC..G310 helixtrans57.8-132.4-177.400000112.2A488 N494 A495A488-G492 VanDerWaalsContact O-CA 3.3Å; A488-G492 WeakPolarHBondContact O-CA 3.46Å; A488-G492 PolarHBondContact O-N 3.01Å; G492-N494 PolarHBondContact O-N 3.37Å; G492-A495 VanDerWaalsContact O-CB 3.22Å; G492-A495 WeakPolarHBondContact O-CB 3.34Å; G492-A495 PolarHBondContact O-N 2.78Å
493S97.9Very high97.1Very high27 Ų2740.6 Ų40.619%0.18920%0.201CC..G310 helixtrans-60.5-23.6177.571.50000113.2G455 E457 Y491 A495G455-S493 VanDerWaalsContact C-OG 3.26Å; G455-S493 WeakPolarHBondContact CA-OG 3.12Å; G455-S493 PolarHBondContact O-N 2.9Å; G455-S493 PolarHBondContact O-OG 3.23Å; E457-S493 PolarHBondContact OE2-OG 2.84Å; Y491-S493 PolarHBondContact O-N 2.53Å; S493-A495 PolarHBondContact O-N 2.95Å
494N98.4Very high97.1Very high5 Ų541.8 Ų41.83%0.02721%0.206CC..G310 helixtrans-71.2-13.1177.1-75.6-49.3000112.9K172 S454 G455 Y491 G492 E496 K497 V498 Y520K172-N494 PolarHBondContact NZ-ND2 2.57Å; S454-N494 PolarHBondContact OG-ND2 3.45Å; G455-N494 WeakPolarHBondContact CA-ND2 3.34Å; G455-N494 PolarHBondContact N-ND2 3.48Å; Y491-N494 WeakPolarHBondContact O-CB 3.38Å; Y491-N494 PolarHBondContact O-N 3.33Å; Y491-N494 VanDerWaalsContact O-N 3.07Å; G492-N494 PolarHBondContact O-N 3.37Å; N494-E496 PolarHBondContact O-N 2.93Å; N494-E496 VanDerWaalsContact O-N 3.15Å; N494-K497 WeakPolarHBondContact O-CA 3.32Å; N494-K497 VanDerWaalsContact O-CB 3.32Å; N494-K497 WeakPolarHBondContact O-CB 3.29Å; N494-K497 PolarHBondContact O-N 2.84Å; N494-K497 WeakPolarHBondContact OD1-CE 3.28Å; N494-K497 PolarHBondContact OD1-NZ 2.81Å; N494-V498 PolarHBondContact O-N 3.44Å; N494-Y520 VanDerWaalsContact CB-OH 3.31Å; N494-Y520 WeakPolarHBondContact CB-OH 3.3Å; N494-Y520 PolarHBondContact ND2-OH 3.16Å
495A98.4Very high96.9Very high0 Ų043.1 Ų43.10%022%0.22CC..Hα-helixtrans-56-31.3176.600000112.8I470 I487 A488 G492 S493 K497 V498 F499I470-A495 HydrophobicContact CG2-CB 3.6Å; I487-A495 HydrophobicContact CG2-CB 3.84Å; A488-A495 HydrophobicContact CB-CB 4.48Å; G492-A495 VanDerWaalsContact O-CB 3.22Å; G492-A495 WeakPolarHBondContact O-CB 3.34Å; G492-A495 PolarHBondContact O-N 2.78Å; S493-A495 PolarHBondContact O-N 2.95Å; A495-K497 VanDerWaalsContact C-N 3.3Å; A495-K497 PolarHBondContact O-N 2.76Å; A495-V498 WeakPolarHBondContact O-CB 3.47Å; A495-V498 PolarHBondContact O-N 2.81Å; A495-V498 VanDerWaalsContact O-N 3.11Å; A495-F499 HydrophobicContact CB-CE2 4.02Å; A495-F499 HydrophobicContact CB-CZ 4.11Å; A495-F499 WeakPolarHBondContact O-CD2 3.19Å; A495-F499 WeakPolarHBondContact O-CG 3.38Å; A495-F499 PolarHBondContact O-N 2.8Å
496E97.2Very high96.9Very high87 Ų8741.4 Ų41.441%0.40722%0.224SC..Hα-helixtrans-63.9-35174.5-65.4-172.6-148.700112.5K473 N494 V498 F499 A500K473-E496 HydrophobicContact CD-CG 4.26Å; K473-E496 IonicContact NZ-OE1 3.49Å; K473-E496 PolarHBondContact NZ-OE1 2.98Å; K473-E496 IonicContact NZ-OE2 3.7Å; K473-E496 PolarHBondContact NZ-OE2 3.45Å; K473-E496 VanDerWaalsContact NZ-OE2 3.17Å; N494-E496 PolarHBondContact O-N 2.93Å; N494-E496 VanDerWaalsContact O-N 3.15Å; E496-V498 VanDerWaalsContact C-N 3.35Å; E496-F499 PolarHBondContact O-N 3.02Å; E496-A500 PolarHBondContact O-N 3.26Å; E496-A500 VanDerWaalsContact O-N 3.1Å
497K97.6Very high97Very high102 Ų10239.8 Ų39.844%0.44322%0.217SC..Hα-helixtrans-67.3-38.6172.3-58.6-176.8-175174.60111N494 A495 A500 Y520N494-K497 WeakPolarHBondContact O-CA 3.32Å; N494-K497 VanDerWaalsContact O-CB 3.32Å; N494-K497 WeakPolarHBondContact O-CB 3.29Å; N494-K497 PolarHBondContact O-N 2.84Å; N494-K497 WeakPolarHBondContact OD1-CE 3.28Å; N494-K497 PolarHBondContact OD1-NZ 2.81Å; A495-K497 VanDerWaalsContact C-N 3.3Å; A495-K497 PolarHBondContact O-N 2.76Å; K497-A500 WeakPolarHBondContact O-CB 3.49Å; K497-A500 PolarHBondContact O-N 3.41Å; K497-Y520 HydrophobicContact CB-CD2 4.43Å; K497-Y520 HydrophobicContact CB-CE2 4.06Å; K497-Y520 HydrophobicContact CD-CE2 4.35Å
498V98.3Very high97Very high0 Ų048.6 Ų48.60%026%0.258CS..Hα-helixtrans-63-47.6175.5-175.80000110.5I487 Y491 N494 A495 E496 A500 L501 M516 Y520I487-V498 HydrophobicContact CD1-CG1 4.23Å; I487-V498 HydrophobicContact CG2-CB 3.86Å; I487-V498 HydrophobicContact CG2-CG1 3.81Å; I487-V498 HydrophobicContact CG2-CG2 4.22Å; Y491-V498 HydrophobicContact CD1-CG2 4.49Å; Y491-V498 HydrophobicContact CD2-CG2 3.85Å; Y491-V498 HydrophobicContact CE2-CG2 4.17Å; Y491-V498 HydrophobicContact CG-CG2 4.02Å; N494-V498 PolarHBondContact O-N 3.44Å; A495-V498 WeakPolarHBondContact O-CB 3.47Å; A495-V498 PolarHBondContact O-N 2.81Å; A495-V498 VanDerWaalsContact O-N 3.11Å; E496-V498 VanDerWaalsContact C-N 3.35Å; V498-A500 VanDerWaalsContact C-N 3.26Å; V498-A500 PolarHBondContact O-N 3.42Å; V498-L501 WeakPolarHBondContact O-CB 3.36Å; V498-L501 PolarHBondContact O-N 3.04Å; V498-L501 VanDerWaalsContact O-N 3.07Å; V498-M516 HydrophobicContact CG1-CB 3.84Å; V498-Y520 HydrophobicContact CG2-CD1 3.83Å; V498-Y520 HydrophobicContact CG2-CD2 3.89Å; V498-Y520 HydrophobicContact CG2-CE1 4.31Å; V498-Y520 HydrophobicContact CG2-CE2 4.37Å; V498-Y520 HydrophobicContact CG2-CG 3.6Å
499F97.8Very high97Very high1 Ų151.1 Ų51.10%0.00428%0.284CS..Hα-helixtrans-61.8-34178.8-57.9-35.6000112.6I470 Q477 L479 A484 I487 A495 E496 L501 K502I470-F499 HydrophobicContact CG2-CE2 3.98Å; I470-F499 WeakPolarHBondContact O-CE2 3.18Å; Q477-F499 PolarHBondContact OE1-O 3.45Å; L479-F499 HydrophobicContact CD1-CD1 3.71Å; L479-F499 HydrophobicContact CD1-CE1 3.61Å; A484-F499 HydrophobicContact CB-CE1 4.36Å; A484-F499 HydrophobicContact CB-CZ 4.22Å; I487-F499 HydrophobicContact CB-CE1 3.84Å; I487-F499 HydrophobicContact CB-CZ 4.22Å; I487-F499 HydrophobicContact CD1-CD1 4.4Å; I487-F499 HydrophobicContact CD1-CE1 3.92Å; I487-F499 HydrophobicContact CG1-CE1 4.48Å; I487-F499 HydrophobicContact CG2-CD1 4.25Å; I487-F499 HydrophobicContact CG2-CE1 3.56Å; I487-F499 HydrophobicContact CG2-CZ 3.96Å; A495-F499 HydrophobicContact CB-CE2 4.02Å; A495-F499 HydrophobicContact CB-CZ 4.11Å; A495-F499 WeakPolarHBondContact O-CD2 3.19Å; A495-F499 WeakPolarHBondContact O-CG 3.38Å; A495-F499 PolarHBondContact O-N 2.8Å; E496-F499 PolarHBondContact O-N 3.02Å; F499-L501 PolarHBondContact O-N 3.14Å; F499-L501 VanDerWaalsContact O-N 3.1Å; F499-K502 VanDerWaalsContact O-CB 3.27Å; F499-K502 WeakPolarHBondContact O-CB 3.47Å; F499-K502 PolarHBondContact O-N 2.91Å; F499-K502 VanDerWaalsContact O-N 3.09Å
500A96.7Very high97Very high70 Ų7048.7 Ų48.758%0.57927%0.273SS*.G310 helixtrans-62-17.3176.300000113.9E496 K497 V498 K502E496-A500 PolarHBondContact O-N 3.26Å; E496-A500 VanDerWaalsContact O-N 3.1Å; K497-A500 WeakPolarHBondContact O-CB 3.49Å; K497-A500 PolarHBondContact O-N 3.41Å; V498-A500 VanDerWaalsContact C-N 3.26Å; V498-A500 PolarHBondContact O-N 3.42Å; A500-K502 PolarHBondContact O-N 2.9Å
501L96.7Very high97Very high18 Ų1849.5 Ų49.59%0.09428%0.28CS..G310 helixtrans-79.9-2.9177.1-57.6171.9000113.5V498 F499 E503 Q504 M516 R519V498-L501 WeakPolarHBondContact O-CB 3.36Å; V498-L501 PolarHBondContact O-N 3.04Å; V498-L501 VanDerWaalsContact O-N 3.07Å; F499-L501 PolarHBondContact O-N 3.14Å; F499-L501 VanDerWaalsContact O-N 3.1Å; L501-E503 PolarHBondContact O-N 2.86Å; L501-E503 VanDerWaalsContact O-N 3.17Å; L501-Q504 VanDerWaalsContact CD2-NE2 3.32Å; L501-Q504 WeakPolarHBondContact O-CB 3.42Å; L501-Q504 PolarHBondContact O-N 2.86Å; L501-M516 HydrophobicContact CB-CB 4.35Å; L501-M516 HydrophobicContact CB-CG 4.11Å; L501-M516 WeakPolarHBondContact CD1-O 3.04Å; L501-R519 HydrophobicContact CD1-CB 3.91Å
502K94.9Very high96.9Very high73 Ų7351.9 Ų51.932%0.31729%0.292SS..G310 helixtrans-49.8-42-179.8176.9-172.7169.9-168.70113.6Q477 F499 A500 Q504 G505 L512 M516Q477-K502 HydrophobicContact CB-CD 4.25Å; Q477-K502 VanDerWaalsContact O-CD 3.29Å; Q477-K502 WeakPolarHBondContact O-CD 3.46Å; Q477-K502 WeakPolarHBondContact O-CE 3.4Å; Q477-K502 PolarHBondContact O-NZ 3.23Å; F499-K502 VanDerWaalsContact O-CB 3.27Å; F499-K502 WeakPolarHBondContact O-CB 3.47Å; F499-K502 PolarHBondContact O-N 2.91Å; F499-K502 VanDerWaalsContact O-N 3.09Å; A500-K502 PolarHBondContact O-N 2.9Å; K502-Q504 PolarHBondContact O-N 3.49Å; K502-Q504 VanDerWaalsContact O-N 3.09Å; K502-G505 PolarHBondContact O-N 3.11Å; K502-L512 HydrophobicContact CG-CD2 4.3Å; K502-M516 WeakPolarHBondContact CA-SD 3.48Å; K502-M516 HydrophobicContact CB-SD 3.76Å; K502-M516 PolarHBondContact N-SD 3.39Å; K502-M516 VanDerWaalsContact N-SD 3.41Å
503E93.5Very high96.8Very high172 Ų17252.2 Ų52.280%0.80430%0.295SS*.G310 helixtrans-63.5-16-176.5-63.7-60.5137.500113L501 G505L501-E503 PolarHBondContact O-N 2.86Å; L501-E503 VanDerWaalsContact O-N 3.17Å; E503-G505 VanDerWaalsContact C-N 3.27Å; E503-G505 PolarHBondContact O-N 3.07Å
504Q94.7Very high96.8Very high86 Ų8651.6 Ų51.640%0.40229%0.289SS..G310 helixtrans-79.6-7.5174.9-53.8-167.43200113.4L501 K502 R519L501-Q504 VanDerWaalsContact CD2-NE2 3.32Å; L501-Q504 WeakPolarHBondContact O-CB 3.42Å; L501-Q504 PolarHBondContact O-N 2.86Å; K502-Q504 PolarHBondContact O-N 3.49Å; K502-Q504 VanDerWaalsContact O-N 3.09Å; Q504-R519 VanDerWaalsContact OE1-CD 3.32Å
505G95.4Very high96.8Very high29 Ų2951.4 Ų51.430%0.29929%0.288SS..  trans71.5-179.6177.800000114.6K502 E503K502-G505 PolarHBondContact O-N 3.11Å; E503-G505 VanDerWaalsContact C-N 3.27Å; E503-G505 PolarHBondContact O-N 3.07Å
506A97Very high96.8Very high59 Ų5951.5 Ų51.549%0.48829%0.289SS..PPolyproline II helixtrans-87.8143.3178.100000111.6S515A506-S515 VanDerWaalsContact CA-OG 3.3Å; A506-S515 WeakPolarHBondContact CA-OG 3.44Å
507F97.8Very high96.8Very high23 Ų2347.6 Ų47.610%0.10127%0.271CS..PPolyproline II helixtrans-70.3154.2164.6-63.9-70.8000110.3G509 L510 S515 L518 R519 M522 A558F507-G509 PolarHBondContact O-N 3.1Å; F507-L510 HydrophobicContact CB-CB 4.39Å; F507-L510 HydrophobicContact CB-CD1 4.13Å; F507-L510 HydrophobicContact CB-CG 4.37Å; F507-L510 HydrophobicContact CD2-CD1 4.17Å; F507-L510 PolarHBondContact O-N 3.32Å; F507-S515 PolarHBondContact N-OG 3.49Å; F507-L518 HydrophobicContact CD2-CD2 4.26Å; F507-L518 HydrophobicContact CE2-CD2 4.12Å; F507-L518 HydrophobicContact CE2-CG 4.44Å; F507-R519 HydrophobicContact CE2-CG 3.64Å; F507-R519 HydrophobicContact CZ-CG 3.7Å; F507-M522 HydrophobicContact CZ-CE 4.18Å; F507-A558 HydrophobicContact CB-CB 3.95Å; F507-A558 HydrophobicContact CD1-CB 3.67Å; F507-A558 HydrophobicContact CD2-CB 3.79Å; F507-A558 HydrophobicContact CE1-CB 4Å; F507-A558 HydrophobicContact CE2-CB 4.11Å; F507-A558 HydrophobicContact CG-CB 3.55Å; F507-A558 HydrophobicContact CZ-CB 4.21Å
508E97Very high96.9Very high187 Ų18742.7 Ų42.787%0.87425%0.25SC*.THydrogen-bonded Turntrans-59.9131.4174.9-172.5171.9179.200110.5L510 A554E508-L510 VanDerWaalsContact C-N 3.29Å; E508-L510 PolarHBondContact O-N 3.37Å; E508-A554 WeakPolarHBondContact O-CB 3.44Å
509G96.9Very high96.9Very high52 Ų5244.4 Ų44.454%0.53626%0.256SS..THydrogen-bonded Turntrans82.6-9.8-179.200000115.9F507F507-G509 PolarHBondContact O-N 3.1Å
510L97.6Very high96.9Very high16 Ų1644.5 Ų44.58%0.08426%0.256CS..SBendtrans-109.1151.4178.7-58.8-173.9000112F507 E508 E514 S515 L518 I551 A554 V555F507-L510 HydrophobicContact CB-CB 4.39Å; F507-L510 HydrophobicContact CB-CD1 4.13Å; F507-L510 HydrophobicContact CB-CG 4.37Å; F507-L510 HydrophobicContact CD2-CD1 4.17Å; F507-L510 PolarHBondContact O-N 3.32Å; E508-L510 VanDerWaalsContact C-N 3.29Å; E508-L510 PolarHBondContact O-N 3.37Å; L510-E514 WeakPolarHBondContact CA-OE2 3.42Å; L510-E514 HydrophobicContact CB-CB 4.04Å; L510-S515 WeakPolarHBondContact CB-OG 3.45Å; L510-L518 HydrophobicContact CD1-CD2 3.93Å; L510-I551 HydrophobicContact CD2-CB 3.71Å; L510-I551 HydrophobicContact CD2-CG2 3.98Å; L510-A554 HydrophobicContact CD2-CB 3.67Å; L510-A554 HydrophobicContact CG-CB 3.96Å; L510-V555 HydrophobicContact CD1-CG2 4.19Å; L510-V555 HydrophobicContact CD2-CG2 4.1Å
511S96.1Very high97Very high33 Ų3341.1 Ų41.123%0.23123%0.229CC..  trans-68.4167167.992.40000111.1E483 A513 E514 S515E483-S511 PolarHBondContact OE1-OG 3.42Å; S511-A513 VanDerWaalsContact C-N 3.33Å; S511-A513 PolarHBondContact O-N 3.1Å; S511-A513 PolarHBondContact OG-N 3.43Å; S511-E514 PolarHBondContact N-OE2 3.22Å; S511-E514 PolarHBondContact O-N 3.48Å; S511-E514 WeakPolarHBondContact OG-CG 3.39Å; S511-E514 PolarHBondContact OG-N 2.89Å; S511-E514 VanDerWaalsContact OG-N 3.13Å; S511-S515 WeakPolarHBondContact O-CB 3.46Å; S511-S515 PolarHBondContact O-N 2.89Å; S511-S515 PolarHBondContact O-OG 2.86Å
512L96.7Very high97.1Very high49 Ų4940.9 Ų40.926%0.25723%0.227SC..Hα-helixtrans-61.9-42.6174.8-177.859.6000111.4L479 K502 S515 M516L479-L512 HydrophobicContact CD2-CB 4.47Å; L479-L512 HydrophobicContact CD2-CD2 4.23Å; L479-L512 HydrophobicContact CD2-CG 4.28Å; K502-L512 HydrophobicContact CG-CD2 4.3Å; L512-S515 PolarHBondContact O-N 3.48Å; L512-M516 HydrophobicContact CG-CE 4.15Å; L512-M516 WeakPolarHBondContact O-CG 3.39Å; L512-M516 PolarHBondContact O-N 3.25Å
513A97Very high97.2Very high8 Ų841 Ų417%0.06623%0.229CC..Hα-helixtrans-64.8-42.6177.700000112.6L479 E483 I487 S511 S515 S517L479-A513 HydrophobicContact CD2-CB 4.09Å; E483-A513 HydrophobicContact CB-CB 3.79Å; E483-A513 HydrophobicContact CG-CB 3.88Å; I487-A513 HydrophobicContact CD1-CB 4Å; S511-A513 VanDerWaalsContact C-N 3.33Å; S511-A513 PolarHBondContact O-N 3.1Å; S511-A513 PolarHBondContact OG-N 3.43Å; A513-S515 VanDerWaalsContact C-N 3.33Å; A513-S517 WeakPolarHBondContact O-CB 3.33Å; A513-S517 PolarHBondContact O-N 3.12Å; A513-S517 PolarHBondContact O-OG 3.17Å
514E97.4Very high97.4Very high14 Ų1437.5 Ų37.57%0.06521%0.213CC..Hα-helixtrans-61.2-43174.9-73.5171162.700111L510 S511 S517 L518 Y533 Y540 R547L510-E514 WeakPolarHBondContact CA-OE2 3.42Å; L510-E514 HydrophobicContact CB-CB 4.04Å; S511-E514 PolarHBondContact N-OE2 3.22Å; S511-E514 PolarHBondContact O-N 3.48Å; S511-E514 WeakPolarHBondContact OG-CG 3.39Å; S511-E514 PolarHBondContact OG-N 2.89Å; S511-E514 VanDerWaalsContact OG-N 3.13Å; E514-S517 PolarHBondContact O-N 3.45Å; E514-L518 WeakPolarHBondContact O-CB 3.41Å; E514-L518 PolarHBondContact O-N 2.61Å; E514-Y533 PolarHBondContact O-OH 2.9Å; E514-Y540 WeakPolarHBondContact CG-OH 3.45Å; E514-R547 IonicContact OE1-CZ 3.89Å; E514-R547 IonicContact OE1-NE 3.52Å; E514-R547 PolarHBondContact OE1-NE 3.35Å; E514-R547 IonicContact OE1-NH2 2.74Å; E514-R547 PolarHBondContact OE1-NH2 2.69Å; E514-R547 IonicContact OE2-CZ 3.64Å; E514-R547 IonicContact OE2-NE 3.75Å; E514-R547 IonicContact OE2-NH2 2.68Å; E514-R547 PolarHBondContact OE2-NH2 3.19Å
515S98.2Very high97.6Very high0 Ų033.5 Ų33.50%019%0.194CC..Hα-helixtrans-67.4-43.6-179.3-58.30000112.7A506 F507 L510 S511 L512 A513 S517 L518 R519A506-S515 VanDerWaalsContact CA-OG 3.3Å; A506-S515 WeakPolarHBondContact CA-OG 3.44Å; F507-S515 PolarHBondContact N-OG 3.49Å; L510-S515 WeakPolarHBondContact CB-OG 3.45Å; S511-S515 WeakPolarHBondContact O-CB 3.46Å; S511-S515 PolarHBondContact O-N 2.89Å; S511-S515 PolarHBondContact O-OG 2.86Å; L512-S515 PolarHBondContact O-N 3.48Å; A513-S515 VanDerWaalsContact C-N 3.33Å; S515-S517 VanDerWaalsContact C-N 3.35Å; S515-L518 PolarHBondContact O-N 2.97Å; S515-R519 WeakPolarHBondContact O-CG 3.22Å; S515-R519 PolarHBondContact O-N 3.25Å
516M98Very high97.7Very high2 Ų234.1 Ų34.11%0.0119%0.19CC..Hα-helixtrans-63.4-41.9175.3-70.6-174.1-62.200111.6L479 I487 V498 L501 K502 L512 R519 Y520L479-M516 HydrophobicContact CD1-CE 3.7Å; L479-M516 HydrophobicContact CD2-CE 3.62Å; L479-M516 HydrophobicContact CG-CE 4Å; I487-M516 HydrophobicContact CD1-CE 4.43Å; V498-M516 HydrophobicContact CG1-CB 3.84Å; L501-M516 HydrophobicContact CB-CB 4.35Å; L501-M516 HydrophobicContact CB-CG 4.11Å; L501-M516 WeakPolarHBondContact CD1-O 3.04Å; K502-M516 WeakPolarHBondContact CA-SD 3.48Å; K502-M516 HydrophobicContact CB-SD 3.76Å; K502-M516 PolarHBondContact N-SD 3.39Å; K502-M516 VanDerWaalsContact N-SD 3.41Å; L512-M516 HydrophobicContact CG-CE 4.15Å; L512-M516 WeakPolarHBondContact O-CG 3.39Å; L512-M516 PolarHBondContact O-N 3.25Å; M516-R519 PolarHBondContact O-N 2.72Å; M516-Y520 WeakPolarHBondContact O-CB 3.4Å; M516-Y520 PolarHBondContact O-N 3.23Å
517S98.3Very high97.8Very high5 Ų531.3 Ų31.34%0.03517%0.166CC..Hα-helixtrans-63.8-43.5177.5-62.70000112A513 E514 S515 Y520 A521 Y533A513-S517 WeakPolarHBondContact O-CB 3.33Å; A513-S517 PolarHBondContact O-N 3.12Å; A513-S517 PolarHBondContact O-OG 3.17Å; E514-S517 PolarHBondContact O-N 3.45Å; S515-S517 VanDerWaalsContact C-N 3.35Å; S517-Y520 PolarHBondContact O-N 3.45Å; S517-A521 WeakPolarHBondContact O-CB 3.35Å; S517-A521 PolarHBondContact O-N 3.1Å; S517-Y533 WeakPolarHBondContact CB-OH 3.27Å
518L98.7Very high97.8Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-65.1-43.9177.4178.959.7000111.7F507 L510 E514 S515 A521 M522 Y533 V555 A558 M559F507-L518 HydrophobicContact CD2-CD2 4.26Å; F507-L518 HydrophobicContact CE2-CD2 4.12Å; F507-L518 HydrophobicContact CE2-CG 4.44Å; L510-L518 HydrophobicContact CD1-CD2 3.93Å; E514-L518 WeakPolarHBondContact O-CB 3.41Å; E514-L518 PolarHBondContact O-N 2.61Å; S515-L518 PolarHBondContact O-N 2.97Å; L518-A521 PolarHBondContact O-N 2.78Å; L518-M522 HydrophobicContact CD1-CG 4.34Å; L518-M522 HydrophobicContact CG-CE 4.02Å; L518-M522 WeakPolarHBondContact O-CG 2.94Å; L518-M522 PolarHBondContact O-N 3.23Å; L518-Y533 HydrophobicContact CB-CE1 4.17Å; L518-Y533 HydrophobicContact CB-CE2 4.18Å; L518-Y533 HydrophobicContact CD1-CD1 3.71Å; L518-Y533 HydrophobicContact CD1-CD2 3.87Å; L518-Y533 HydrophobicContact CD1-CE1 3.93Å; L518-Y533 HydrophobicContact CD1-CE2 4.1Å; L518-Y533 HydrophobicContact CD1-CG 3.67Å; L518-Y533 PolarHBondContact N-OH 3.46Å; L518-V555 HydrophobicContact CD1-CG1 4.28Å; L518-V555 HydrophobicContact CD2-CG1 4.26Å; L518-V555 HydrophobicContact CD2-CG2 4.49Å; L518-A558 HydrophobicContact CD2-CB 3.74Å; L518-M559 HydrophobicContact CD1-CG 4.12Å; L518-M559 HydrophobicContact CD1-SD 4.3Å; L518-M559 HydrophobicContact CD2-CG 4.45Å
519R98.4Very high97.9Very high35 Ų3523.5 Ų23.513%0.13213%0.132CC..Hα-helixtrans-58.6-49.6174.7-73.4176.6-172.4-76.8-5.9111.4L501 Q504 F507 S515 M516 A521 M522 E523L501-R519 HydrophobicContact CD1-CB 3.91Å; Q504-R519 VanDerWaalsContact OE1-CD 3.32Å; F507-R519 HydrophobicContact CE2-CG 3.64Å; F507-R519 HydrophobicContact CZ-CG 3.7Å; S515-R519 WeakPolarHBondContact O-CG 3.22Å; S515-R519 PolarHBondContact O-N 3.25Å; M516-R519 PolarHBondContact O-N 2.72Å; R519-A521 VanDerWaalsContact C-N 3.32Å; R519-A521 PolarHBondContact O-N 3.06Å; R519-M522 PolarHBondContact O-N 3.26Å; R519-E523 WeakPolarHBondContact O-CB 3.46Å; R519-E523 WeakPolarHBondContact O-CG 3.18Å; R519-E523 PolarHBondContact O-N 2.95Å
520Y98.7Very high98Very high3 Ų321.1 Ų21.11%0.01211%0.106CC..Hα-helixtrans-57.8-44.7176.9-179.4-102.6000111.9K172 Y491 N494 K497 V498 M516 S517 M522 E523 E524 E525K172-Y520 VanDerWaalsContact CE-OH 3.24Å; K172-Y520 WeakPolarHBondContact CE-OH 3.32Å; K172-Y520 PolarHBondContact NZ-OH 2.75Å; Y491-Y520 AromaticContact CD1-CD1 3.8Å; Y491-Y520 HydrophobicContact CD1-CD1 3.8Å; Y491-Y520 AromaticContact CD1-CE1 3.51Å; Y491-Y520 HydrophobicContact CD1-CE1 3.51Å; Y491-Y520 AromaticContact CE1-CD1 3.53Å; Y491-Y520 HydrophobicContact CE1-CD1 3.53Å; Y491-Y520 AromaticContact CE1-CE1 3.66Å; Y491-Y520 HydrophobicContact CE1-CE1 3.66Å; Y491-Y520 HydrophobicContact CG-CE1 4.39Å; N494-Y520 VanDerWaalsContact CB-OH 3.31Å; N494-Y520 WeakPolarHBondContact CB-OH 3.3Å; N494-Y520 PolarHBondContact ND2-OH 3.16Å; K497-Y520 HydrophobicContact CB-CD2 4.43Å; K497-Y520 HydrophobicContact CB-CE2 4.06Å; K497-Y520 HydrophobicContact CD-CE2 4.35Å; V498-Y520 HydrophobicContact CG2-CD1 3.83Å; V498-Y520 HydrophobicContact CG2-CD2 3.89Å; V498-Y520 HydrophobicContact CG2-CE1 4.31Å; V498-Y520 HydrophobicContact CG2-CE2 4.37Å; V498-Y520 HydrophobicContact CG2-CG 3.6Å; M516-Y520 WeakPolarHBondContact O-CB 3.4Å; M516-Y520 PolarHBondContact O-N 3.23Å; S517-Y520 PolarHBondContact O-N 3.45Å; Y520-M522 VanDerWaalsContact C-N 3.34Å; Y520-M522 PolarHBondContact O-N 3.17Å; Y520-E523 PolarHBondContact O-N 2.69Å; Y520-E524 HydrophobicContact CD2-CB 3.96Å; Y520-E524 HydrophobicContact CD2-CG 3.79Å; Y520-E524 HydrophobicContact CE1-CB 4.42Å; Y520-E524 HydrophobicContact CE2-CB 3.62Å; Y520-E524 HydrophobicContact CE2-CG 3.59Å; Y520-E524 HydrophobicContact CG-CB 4.48Å; Y520-E524 WeakPolarHBondContact O-CB 3.37Å; Y520-E524 PolarHBondContact O-N 3.24Å; Y520-E525 HydrophobicContact CD1-CG 4.19Å; Y520-E525 HydrophobicContact CE1-CG 3.91Å; Y520-E525 WeakPolarHBondContact CE1-OE1 3.41Å
521A98.7Very high98Very high0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-60.9-41.3178.300000112.5S517 L518 R519 E525 T527 Y533 R537S517-A521 WeakPolarHBondContact O-CB 3.35Å; S517-A521 PolarHBondContact O-N 3.1Å; L518-A521 PolarHBondContact O-N 2.78Å; R519-A521 VanDerWaalsContact C-N 3.32Å; R519-A521 PolarHBondContact O-N 3.06Å; A521-E525 CarbonylContact O-C 3.33Å; A521-E525 WeakPolarHBondContact O-CA 3.41Å; A521-E525 WeakPolarHBondContact O-CB 3.38Å; A521-E525 PolarHBondContact O-N 2.67Å; A521-T527 HydrophobicContact CB-CG2 4.39Å; A521-T527 WeakPolarHBondContact CB-OG1 3.45Å; A521-T527 WeakPolarHBondContact O-CB 3.44Å; A521-T527 PolarHBondContact O-N 2.87Å; A521-T527 PolarHBondContact O-OG1 2.82Å; A521-Y533 HydrophobicContact CB-CD2 3.61Å; A521-Y533 HydrophobicContact CB-CE2 3.85Å; A521-R537 HydrophobicContact CB-CB 4.43Å; A521-R537 HydrophobicContact CB-CG 4.33Å
522M98.4Very high98.1Very high12 Ų1218.8 Ų18.86%0.0599%0.092CC..Hα-helixtrans-69.4-42.3176.5-67.2-171.3-68.100112.4F507 L518 R519 Y520 M559 Y562 F563F507-M522 HydrophobicContact CZ-CE 4.18Å; L518-M522 HydrophobicContact CD1-CG 4.34Å; L518-M522 HydrophobicContact CG-CE 4.02Å; L518-M522 WeakPolarHBondContact O-CG 2.94Å; L518-M522 PolarHBondContact O-N 3.23Å; R519-M522 PolarHBondContact O-N 3.26Å; Y520-M522 VanDerWaalsContact C-N 3.34Å; Y520-M522 PolarHBondContact O-N 3.17Å; M522-M559 HydrophobicContact CG-CE 4.47Å; M522-M559 HydrophobicContact SD-CB 4.38Å; M522-M559 HydrophobicContact SD-CE 4.42Å; M522-M559 HydrophobicContact SD-CG 3.81Å; M522-Y562 HydrophobicContact CB-CD1 4.41Å; M522-Y562 HydrophobicContact CB-CE1 4.1Å; M522-Y562 HydrophobicContact CE-CD1 4.06Å; M522-Y562 HydrophobicContact CE-CD2 3.76Å; M522-Y562 HydrophobicContact CE-CE2 4.31Å; M522-Y562 HydrophobicContact CE-CG 3.62Å; M522-Y562 HydrophobicContact SD-CD1 3.68Å; M522-Y562 HydrophobicContact SD-CD2 4.47Å; M522-Y562 HydrophobicContact SD-CE1 4.31Å; M522-Y562 HydrophobicContact SD-CG 3.78Å; M522-F563 HydrophobicContact CB-CZ 4.25Å; M522-F563 HydrophobicContact CG-CE2 4.13Å; M522-F563 HydrophobicContact CG-CZ 4.18Å; M522-F563 HydrophobicContact SD-CD2 4.38Å; M522-F563 HydrophobicContact SD-CE2 3.7Å; M522-F563 HydrophobicContact SD-CZ 4.14Å
523E97.6Very high98.2Very high76 Ų7616.6 Ų16.636%0.3558%0.08SC..Hα-helixtrans-77.2-40.2-175.3-71.6174.8-176.200113.2R519 Y520 Y562R519-E523 WeakPolarHBondContact O-CB 3.46Å; R519-E523 WeakPolarHBondContact O-CG 3.18Å; R519-E523 PolarHBondContact O-N 2.95Å; Y520-E523 PolarHBondContact O-N 2.69Å; E523-Y562 VanDerWaalsContact CG-OH 3.31Å; E523-Y562 WeakPolarHBondContact CG-OH 3.39Å
524E97.9Very high98.3Very high99 Ų9916.2 Ų16.246%0.4638%0.077SC..Hα-helixtrans-118.8-9.5-165-64.2-77171.500113.4Y520Y520-E524 HydrophobicContact CD2-CB 3.96Å; Y520-E524 HydrophobicContact CD2-CG 3.79Å; Y520-E524 HydrophobicContact CE1-CB 4.42Å; Y520-E524 HydrophobicContact CE2-CB 3.62Å; Y520-E524 HydrophobicContact CE2-CG 3.59Å; Y520-E524 HydrophobicContact CG-CB 4.48Å; Y520-E524 WeakPolarHBondContact O-CB 3.37Å; Y520-E524 PolarHBondContact O-N 3.24Å
525E98.7Very high98.3Very high2 Ų217.2 Ų17.21%0.0098%0.082CC..SBendtrans-125.813.2-172.8-44.5-161.9130.900114.2R165 I168 K172 Y520 A521 T527 R537R165-E525 IonicContact CZ-OE1 3.94Å; R165-E525 IonicContact CZ-OE2 3.54Å; R165-E525 VanDerWaalsContact NH1-CD 3.31Å; R165-E525 IonicContact NH1-OE1 3.67Å; R165-E525 PolarHBondContact NH1-OE1 2.85Å; R165-E525 VanDerWaalsContact NH1-OE1 3.12Å; R165-E525 IonicContact NH1-OE2 3.42Å; R165-E525 PolarHBondContact NH1-OE2 3.39Å; R165-E525 IonicContact NH2-OE1 2.74Å; R165-E525 PolarHBondContact NH2-OE1 3.37Å; R165-E525 IonicContact NH2-OE2 2.7Å; I168-E525 HydrophobicContact CD1-CB 4.46Å; I168-E525 HydrophobicContact CG1-CB 4.1Å; K172-E525 HydrophobicContact CD-CG 4.08Å; K172-E525 IonicContact NZ-OE1 2.64Å; K172-E525 PolarHBondContact NZ-OE1 2.79Å; Y520-E525 HydrophobicContact CD1-CG 4.19Å; Y520-E525 HydrophobicContact CE1-CG 3.91Å; Y520-E525 WeakPolarHBondContact CE1-OE1 3.41Å; A521-E525 CarbonylContact O-C 3.33Å; A521-E525 WeakPolarHBondContact O-CA 3.41Å; A521-E525 WeakPolarHBondContact O-CB 3.38Å; A521-E525 PolarHBondContact O-N 2.67Å; E525-T527 PolarHBondContact O-N 3.44Å; E525-R537 PolarHBondContact O-NE 2.73Å; E525-R537 VanDerWaalsContact O-NE 3.1Å; E525-R537 PolarHBondContact O-NH2 3.42Å; E525-R537 WeakPolarHBondContact OE2-CD 3.3Å
526M97.9Very high98.4Very high42 Ų4217.5 Ų17.521%0.2078%0.083CC..  trans5142.8-179.6-165.6172.6-70.900112.3M1 F43 A181 S183 L528M1-M526 HydrophobicContact CE-CE 3.93Å; M1-M526 HydrophobicContact SD-CE 3.39Å; M1-M526 WeakPolarHBondContact SD-CE 3.42Å; F43-M526 HydrophobicContact CE2-CB 4.12Å; F43-M526 HydrophobicContact CE2-CE 4.44Å; F43-M526 HydrophobicContact CE2-CG 4.37Å; F43-M526 HydrophobicContact CE2-SD 3.61Å; F43-M526 HydrophobicContact CZ-SD 3.92Å; A181-M526 VanDerWaalsContact O-CE 3.3Å; A181-M526 WeakPolarHBondContact O-CE 3.38Å; S183-M526 PolarHBondContact N-SD 3.21Å; S183-M526 VanDerWaalsContact N-SD 3.42Å; S183-M526 PolarHBondContact OG-SD 3.21Å; S183-M526 VanDerWaalsContact OG-SD 3.37Å; M526-L528 HydrophobicContact CG-CD1 4.4Å; M526-L528 HydrophobicContact CG-CG 4.33Å; M526-L528 PolarHBondContact O-N 3.25Å
527T98.6Very high98.4Very high0 Ų017.6 Ų17.60%08%0.084CC..  trans-80.5109.4177-580000108.9A521 E525 D532 R537 M559 F563A521-T527 HydrophobicContact CB-CG2 4.39Å; A521-T527 WeakPolarHBondContact CB-OG1 3.45Å; A521-T527 WeakPolarHBondContact O-CB 3.44Å; A521-T527 PolarHBondContact O-N 2.87Å; A521-T527 PolarHBondContact O-OG1 2.82Å; E525-T527 PolarHBondContact O-N 3.44Å; T527-D532 HydrophobicContact CG2-CB 3.91Å; T527-R537 WeakPolarHBondContact OG1-CG 3.49Å; T527-M559 HydrophobicContact CG2-CE 4.13Å; T527-F563 WeakPolarHBondContact O-CZ 3.3Å
528L97.7Very high98.4Very high42 Ų4217.4 Ų17.422%0.228%0.083CC..  trans-108.9-21-173.8-57.5-176.8000112.7R184 L207 M526 D532 F563R184-L528 HydrophobicContact CG-CD1 4.29Å; L207-L528 HydrophobicContact CD1-CD1 3.91Å; M526-L528 HydrophobicContact CG-CD1 4.4Å; M526-L528 HydrophobicContact CG-CG 4.33Å; M526-L528 PolarHBondContact O-N 3.25Å; L528-D532 PolarHBondContact N-OD2 3.45Å; L528-F563 HydrophobicContact CD2-CZ 4.41Å
529T98.3Very high98.3Very high4 Ų418.2 Ų18.23%0.0259%0.087CC..SBendtrans-126.7156.1179.276.30000112.1V531 D532 Y533 M559 Y573T529-V531 PolarHBondContact O-N 2.91Å; T529-V531 PolarHBondContact OG1-N 3.02Å; T529-D532 PolarHBondContact N-OD2 3.21Å; T529-D532 WeakPolarHBondContact O-CB 3.38Å; T529-D532 PolarHBondContact O-N 3Å; T529-D532 VanDerWaalsContact O-N 3.15Å; T529-D532 PolarHBondContact OG1-N 3.33Å; T529-D532 PolarHBondContact OG1-OD1 3.14Å; T529-D532 PolarHBondContact OG1-OD2 3.14Å; T529-Y533 PolarHBondContact O-N 2.57Å; T529-M559 VanDerWaalsContact C-CE 3.47Å; T529-Y573 HydrophobicContact CG2-CD1 4.14Å; T529-Y573 HydrophobicContact CG2-CE1 3.65Å
530P98.7Very high98.2Very high1 Ų117.4 Ų17.41%0.0068%0.084CC..Hα-helixtrans-59.5-31.1173.3-23.134.1000112.9Y533 L534 V555 V556 M559 W565 L577P530-Y533 PolarHBondContact O-N 2.79Å; P530-L534 WeakPolarHBondContact O-CB 3.38Å; P530-L534 WeakPolarHBondContact O-CG 3.43Å; P530-L534 PolarHBondContact O-N 2.78Å; P530-V555 HydrophobicContact CB-CG1 4.38Å; P530-V556 HydrophobicContact CB-CG2 4.08Å; P530-V556 HydrophobicContact CG-CG2 3.77Å; P530-M559 HydrophobicContact CB-SD 4.21Å; P530-M559 HydrophobicContact CG-SD 3.95Å; P530-W565 HydrophobicContact CG-CH2 4.3Å; P530-L577 HydrophobicContact CB-CD2 3.95Å
531V98.4Very high98.2Very high1 Ų117.4 Ų17.41%0.0068%0.084CC..Hα-helixtrans-66.9-42.3175.8176.90000110.9T529 Y533 L534 L535 E576 L577 Q580T529-V531 PolarHBondContact O-N 2.91Å; T529-V531 PolarHBondContact OG1-N 3.02Å; V531-Y533 PolarHBondContact O-N 3.07Å; V531-L534 PolarHBondContact O-N 2.86Å; V531-L535 HydrophobicContact CG1-CB 4.24Å; V531-L535 HydrophobicContact CG1-CD2 4.05Å; V531-L535 VanDerWaalsContact O-CB 3.25Å; V531-L535 WeakPolarHBondContact O-CB 3.31Å; V531-L535 PolarHBondContact O-N 3.45Å; V531-E576 HydrophobicContact CG2-CG 4.26Å; V531-L577 HydrophobicContact CG2-CB 4.41Å; V531-L577 HydrophobicContact CG2-CD1 4.13Å; V531-Q580 HydrophobicContact CG1-CG 4.09Å; V531-Q580 HydrophobicContact CG2-CB 4.17Å; V531-Q580 HydrophobicContact CG2-CG 4.43Å
532D98.7Very high98.1Very high0 Ų018 Ų180%09%0.087CC..Iπ-helixtrans-52.7-45.8174.7-56.3-20.5000110.4D42 R184 T527 L528 T529 R536 R537D42-D532 VanDerWaalsContact CB-OD1 3.27Å; D42-D532 WeakPolarHBondContact CB-OD1 3.17Å; D42-D532 WeakPolarHBondContact OD2-CB 3.41Å; R184-D532 IonicContact CZ-OD1 3.59Å; R184-D532 IonicContact NH2-OD1 2.99Å; R184-D532 PolarHBondContact NH2-OD1 3.49Å; R184-D532 IonicContact NH2-OD2 2.66Å; T527-D532 HydrophobicContact CG2-CB 3.91Å; L528-D532 PolarHBondContact N-OD2 3.45Å; T529-D532 PolarHBondContact N-OD2 3.21Å; T529-D532 WeakPolarHBondContact O-CB 3.38Å; T529-D532 PolarHBondContact O-N 3Å; T529-D532 VanDerWaalsContact O-N 3.15Å; T529-D532 PolarHBondContact OG1-N 3.33Å; T529-D532 PolarHBondContact OG1-OD1 3.14Å; T529-D532 PolarHBondContact OG1-OD2 3.14Å; D532-R536 CarbonylContact O-C 3.48Å; D532-R536 WeakPolarHBondContact O-CA 3.48Å; D532-R536 WeakPolarHBondContact O-CB 3.36Å; D532-R536 PolarHBondContact O-N 3.24Å; D532-R536 VanDerWaalsContact O-N 3.13Å; D532-R536 IonicContact OD1-CZ 3.53Å; D532-R536 IonicContact OD1-NE 3.97Å; D532-R536 IonicContact OD1-NH2 3.82Å; D532-R536 PolarHBondContact OD1-NH2 3.46Å; D532-R537 PolarHBondContact O-N 2.92Å
533Y98.8Very high98.1Very high3 Ų317.4 Ų17.41%0.0128%0.084CC..Iπ-helixtrans-69.8-58.9-179.5-175.4-117.3000112.7E514 S517 L518 A521 T529 P530 V531 L535 R537 T538 V555E514-Y533 PolarHBondContact O-OH 2.9Å; S517-Y533 WeakPolarHBondContact CB-OH 3.27Å; L518-Y533 HydrophobicContact CB-CE1 4.17Å; L518-Y533 HydrophobicContact CB-CE2 4.18Å; L518-Y533 HydrophobicContact CD1-CD1 3.71Å; L518-Y533 HydrophobicContact CD1-CD2 3.87Å; L518-Y533 HydrophobicContact CD1-CE1 3.93Å; L518-Y533 HydrophobicContact CD1-CE2 4.1Å; L518-Y533 HydrophobicContact CD1-CG 3.67Å; L518-Y533 PolarHBondContact N-OH 3.46Å; A521-Y533 HydrophobicContact CB-CD2 3.61Å; A521-Y533 HydrophobicContact CB-CE2 3.85Å; T529-Y533 PolarHBondContact O-N 2.57Å; P530-Y533 PolarHBondContact O-N 2.79Å; V531-Y533 PolarHBondContact O-N 3.07Å; Y533-L535 VanDerWaalsContact C-N 3.33Å; Y533-L535 PolarHBondContact O-N 2.87Å; Y533-R537 HydrophobicContact CD2-CB 4.18Å; Y533-R537 PolarHBondContact O-N 2.74Å; Y533-T538 HydrophobicContact CD2-CG2 4.02Å; Y533-T538 HydrophobicContact CE1-CG2 4.39Å; Y533-T538 HydrophobicContact CE2-CG2 3.54Å; Y533-T538 WeakPolarHBondContact O-CB 3.35Å; Y533-T538 PolarHBondContact O-N 2.84Å; Y533-T538 PolarHBondContact O-OG1 2.97Å; Y533-V555 HydrophobicContact CD1-CG1 4Å; Y533-V555 HydrophobicContact CD1-CG2 4.38Å; Y533-V555 HydrophobicContact CE1-CG2 4.3Å
534L98.6Very high97.9Very high0 Ų014.7 Ų14.70%07%0.072CC..Iπ-helixtrans-73.5-22.2-168.3-68.4169.6000113.6P530 V531 Y540 M541 L548 I551 V555 L577P530-L534 WeakPolarHBondContact O-CB 3.38Å; P530-L534 WeakPolarHBondContact O-CG 3.43Å; P530-L534 PolarHBondContact O-N 2.78Å; V531-L534 PolarHBondContact O-N 2.86Å; L534-Y540 HydrophobicContact CD2-CD2 3.84Å; L534-Y540 HydrophobicContact CD2-CG 4.05Å; L534-Y540 PolarHBondContact O-N 3.48Å; L534-M541 HydrophobicContact CB-CE 4.39Å; L534-M541 WeakPolarHBondContact O-CB 3.49Å; L534-M541 PolarHBondContact O-N 3.38Å; L534-L548 HydrophobicContact CB-CD1 4.34Å; L534-L548 HydrophobicContact CD1-CD1 4.01Å; L534-L548 HydrophobicContact CD2-CD1 4.15Å; L534-L548 HydrophobicContact CG-CD1 4.4Å; L534-I551 HydrophobicContact CD2-CD1 4.04Å; L534-I551 HydrophobicContact CD2-CG1 4.43Å; L534-V555 HydrophobicContact CD1-CG1 4.4Å; L534-V555 HydrophobicContact CD2-CG2 4.27Å; L534-V555 HydrophobicContact CG-CG1 4.47Å; L534-L577 HydrophobicContact CD1-CD1 3.72Å; L534-L577 HydrophobicContact CD1-CD2 3.86Å; L534-L577 HydrophobicContact CD1-CG 4.45Å
535L98.1Very high97.4Very high34 Ų3410.8 Ų10.818%0.1786%0.055CC..Iπ-helixtrans-108.9-35-178.5-178.958.1000113.9V531 Y533 T538 M541 L542 Q580V531-L535 HydrophobicContact CG1-CB 4.24Å; V531-L535 HydrophobicContact CG1-CD2 4.05Å; V531-L535 VanDerWaalsContact O-CB 3.25Å; V531-L535 WeakPolarHBondContact O-CB 3.31Å; V531-L535 PolarHBondContact O-N 3.45Å; Y533-L535 VanDerWaalsContact C-N 3.33Å; Y533-L535 PolarHBondContact O-N 2.87Å; L535-T538 CarbonylContact C-O 3.6Å; L535-M541 HydrophobicContact CB-CB 4.29Å; L535-M541 HydrophobicContact CB-CE 4.16Å; L535-M541 HydrophobicContact CB-SD 3.99Å; L535-M541 HydrophobicContact CD1-CB 4.03Å; L535-M541 HydrophobicContact CD1-CG 4.24Å; L535-M541 HydrophobicContact CD1-SD 3.89Å; L535-M541 HydrophobicContact CD2-SD 4.03Å; L535-M541 HydrophobicContact CG-SD 4.18Å; L535-L542 HydrophobicContact CD1-CD1 4.05Å; L535-L542 HydrophobicContact CD1-CD2 3.86Å; L535-L542 HydrophobicContact CD1-CG 3.73Å; L535-Q580 HydrophobicContact CD2-CG 4.14Å
536R98.6Very high97Very high6 Ų616 Ų162%0.0238%0.08CC..Iπ-helixtrans-114.7-39.7-170.9-70.2177.2-74.3-93.59.6114.7D42 E45 A164 D532D42-R536 WeakPolarHBondContact OD2-CD 3.42Å; D42-R536 IonicContact OD2-CZ 3.45Å; D42-R536 IonicContact OD2-NE 2.87Å; D42-R536 PolarHBondContact OD2-NE 3.37Å; D42-R536 IonicContact OD2-NH2 2.81Å; E45-R536 VanDerWaalsContact CD-CZ 3.45Å; E45-R536 VanDerWaalsContact CD-NH2 3.34Å; E45-R536 IonicContact OE1-CZ 3.72Å; E45-R536 IonicContact OE1-NH1 3.59Å; E45-R536 PolarHBondContact OE1-NH1 2.95Å; E45-R536 IonicContact OE1-NH2 3.32Å; E45-R536 PolarHBondContact OE1-NH2 2.72Å; E45-R536 IonicContact OE2-CZ 2.68Å; E45-R536 IonicContact OE2-NH2 3.37Å; A164-R536 HydrophobicContact CB-CB 4.29Å; A164-R536 WeakPolarHBondContact CB-O 3.19Å; D532-R536 CarbonylContact O-C 3.48Å; D532-R536 WeakPolarHBondContact O-CA 3.48Å; D532-R536 WeakPolarHBondContact O-CB 3.36Å; D532-R536 PolarHBondContact O-N 3.24Å; D532-R536 VanDerWaalsContact O-N 3.13Å; D532-R536 IonicContact OD1-CZ 3.53Å; D532-R536 IonicContact OD1-NE 3.97Å; D532-R536 IonicContact OD1-NH2 3.82Å; D532-R536 PolarHBondContact OD1-NH2 3.46Å
537R98.6Very high96.8Very high4 Ų416.9 Ų16.92%0.0158%0.081CC..Iπ-helixtrans-78.9-25.9174.9-57.2-53.9179.6-84.7-0.1112.2D42 R165 A521 E525 T527 D532 Y533D42-R537 IonicContact OD1-CZ 2.73Å; D42-R537 IonicContact OD1-NH1 3.05Å; D42-R537 IonicContact OD1-NH2 2.99Å; D42-R537 PolarHBondContact OD1-NH2 2.69Å; D42-R537 IonicContact OD2-CZ 3.76Å; D42-R537 IonicContact OD2-NH1 3.89Å; D42-R537 PolarHBondContact OD2-NH1 3.39Å; D42-R537 IonicContact OD2-NH2 2.85Å; D42-R537 PolarHBondContact OD2-NH2 2.99Å; R165-R537 WeakPolarHBondContact CD-O 3.47Å; R165-R537 PolarHBondContact NH1-O 3.23Å; A521-R537 HydrophobicContact CB-CB 4.43Å; A521-R537 HydrophobicContact CB-CG 4.33Å; E525-R537 PolarHBondContact O-NE 2.73Å; E525-R537 VanDerWaalsContact O-NE 3.1Å; E525-R537 PolarHBondContact O-NH2 3.42Å; E525-R537 WeakPolarHBondContact OE2-CD 3.3Å; T527-R537 WeakPolarHBondContact OG1-CG 3.49Å; D532-R537 PolarHBondContact O-N 2.92Å; Y533-R537 HydrophobicContact CD2-CB 4.18Å; Y533-R537 PolarHBondContact O-N 2.74Å
538T98Very high96.7Very high2 Ų217 Ų171%0.0128%0.081CC..SBendtrans-135173.4-179.268.70000111.4L490 Y533 L535 Y540L490-T538 HydrophobicContact CD2-CG2 4.37Å; Y533-T538 HydrophobicContact CD2-CG2 4.02Å; Y533-T538 HydrophobicContact CE1-CG2 4.39Å; Y533-T538 HydrophobicContact CE2-CG2 3.54Å; Y533-T538 WeakPolarHBondContact O-CB 3.35Å; Y533-T538 PolarHBondContact O-N 2.84Å; Y533-T538 PolarHBondContact O-OG1 2.97Å; L535-T538 CarbonylContact C-O 3.6Å; T538-Y540 HydrophobicContact CG2-CD2 4.33Å; T538-Y540 HydrophobicContact CG2-CE2 4.31Å; T538-Y540 VanDerWaalsContact OG1-CD2 3.23Å; T538-Y540 WeakPolarHBondContact OG1-CD2 3.37Å
539N96.6Very high96.5Very high16 Ų1619.5 Ų19.59%0.0869%0.093CC..SBendtrans-99.611.4-178.1-71.1-26.9000113.8N162 M541 L542 F543 I544N162-N539 PolarHBondContact ND2-OD1 3.05Å; N539-M541 VanDerWaalsContact C-N 3.32Å; N539-M541 PolarHBondContact O-N 2.82Å; N539-L542 PolarHBondContact O-N 3.33Å; N539-F543 HydrophobicContact CB-CB 4.26Å; N539-F543 HydrophobicContact CB-CD2 4.03Å; N539-F543 PolarHBondContact O-N 3.4Å; N539-I544 HydrophobicContact CB-CD1 4.21Å; N539-I544 HydrophobicContact CB-CG1 4.23Å; N539-I544 PolarHBondContact O-N 3.04Å; N539-I544 VanDerWaalsContact O-N 3.14Å
540Y97.5Very high96.4Very high18 Ų1825.5 Ų25.57%0.07112%0.121CC..THydrogen-bonded Turntrans-56.4-45-171.6-78-68.9000113.4E514 L534 T538 I544 S545 R547 I551E514-Y540 WeakPolarHBondContact CG-OH 3.45Å; L534-Y540 HydrophobicContact CD2-CD2 3.84Å; L534-Y540 HydrophobicContact CD2-CG 4.05Å; L534-Y540 PolarHBondContact O-N 3.48Å; T538-Y540 HydrophobicContact CG2-CD2 4.33Å; T538-Y540 HydrophobicContact CG2-CE2 4.31Å; T538-Y540 VanDerWaalsContact OG1-CD2 3.23Å; T538-Y540 WeakPolarHBondContact OG1-CD2 3.37Å; Y540-I544 HydrophobicContact CD1-CB 3.87Å; Y540-I544 HydrophobicContact CD1-CD1 4.29Å; Y540-I544 HydrophobicContact CD1-CG2 4.01Å; Y540-I544 HydrophobicContact CE1-CB 4.38Å; Y540-I544 HydrophobicContact CE1-CD1 4.29Å; Y540-I544 HydrophobicContact CE1-CG2 4.1Å; Y540-I544 CarbonylContact O-C 3.52Å; Y540-I544 PolarHBondContact O-N 3.3Å; Y540-S545 PolarHBondContact O-N 3.42Å; Y540-R547 HydrophobicContact CD1-CB 4.19Å; Y540-R547 HydrophobicContact CD1-CG 4.31Å; Y540-R547 HydrophobicContact CE1-CB 4.04Å; Y540-R547 HydrophobicContact CE1-CG 3.78Å; Y540-I551 HydrophobicContact CD1-CD1 3.7Å; Y540-I551 HydrophobicContact CD2-CD1 3.94Å; Y540-I551 HydrophobicContact CE1-CD1 3.63Å; Y540-I551 HydrophobicContact CE2-CD1 3.9Å; Y540-I551 HydrophobicContact CG-CD1 3.88Å
541M97.5Very high96.3Very high4 Ų425.5 Ų25.52%0.0212%0.121CC..THydrogen-bonded Turntrans-73.6-29.1-175.3-167176.3-65.600113.8L534 L535 N539 L548 L577 Q580 I581 T584L534-M541 HydrophobicContact CB-CE 4.39Å; L534-M541 WeakPolarHBondContact O-CB 3.49Å; L534-M541 PolarHBondContact O-N 3.38Å; L535-M541 HydrophobicContact CB-CB 4.29Å; L535-M541 HydrophobicContact CB-CE 4.16Å; L535-M541 HydrophobicContact CB-SD 3.99Å; L535-M541 HydrophobicContact CD1-CB 4.03Å; L535-M541 HydrophobicContact CD1-CG 4.24Å; L535-M541 HydrophobicContact CD1-SD 3.89Å; L535-M541 HydrophobicContact CD2-SD 4.03Å; L535-M541 HydrophobicContact CG-SD 4.18Å; N539-M541 VanDerWaalsContact C-N 3.32Å; N539-M541 PolarHBondContact O-N 2.82Å; M541-L548 HydrophobicContact CB-CD2 4.39Å; M541-L548 HydrophobicContact CG-CD2 4.21Å; M541-L577 HydrophobicContact CE-CD1 3.76Å; M541-Q580 HydrophobicContact CE-CB 4.42Å; M541-Q580 HydrophobicContact CE-CG 3.94Å; M541-Q580 HydrophobicContact SD-CB 4.49Å; M541-Q580 HydrophobicContact SD-CG 3.58Å; M541-Q580 VanDerWaalsContact SD-CG 3.58Å; M541-I581 HydrophobicContact CE-CG1 4.03Å; M541-T584 HydrophobicContact CG-CG2 4.12Å
542L97.6Very high96.3Very high11 Ų1126.6 Ų26.66%0.05813%0.125CC..THydrogen-bonded Turntrans-100.8-39.6-174.8-61.3-176.4000113.8A331 W333 L535 N539 T584A331-L542 HydrophobicContact CB-CD2 4.32Å; W333-L542 HydrophobicContact CE3-CD1 4.24Å; W333-L542 HydrophobicContact CE3-CD2 4.18Å; L535-L542 HydrophobicContact CD1-CD1 4.05Å; L535-L542 HydrophobicContact CD1-CD2 3.86Å; L535-L542 HydrophobicContact CD1-CG 3.73Å; N539-L542 PolarHBondContact O-N 3.33Å; L542-T584 HydrophobicContact CD2-CG2 3.93Å
543F97.2Very high96.3Very high1 Ų130.4 Ų30.40%0.00415%0.146CC..THydrogen-bonded Turntrans-129.3-9.5-168.1-52-61.5000114.3K53 V252 R281 E282 K284 Y286 W333 N539K53-F543 HydrophobicContact CD-CE2 4.21Å; K53-F543 HydrophobicContact CD-CZ 4.02Å; V252-F543 HydrophobicContact CG1-CD1 4.3Å; V252-F543 HydrophobicContact CG1-CE1 4.48Å; V252-F543 HydrophobicContact CG2-CE1 4.17Å; R281-F543 HydrophobicContact CB-CD1 3.98Å; R281-F543 HydrophobicContact CB-CE1 4.12Å; R281-F543 HydrophobicContact CB-CG 4.26Å; R281-F543 HydrophobicContact CG-CB 4.24Å; R281-F543 HydrophobicContact CG-CD1 3.86Å; R281-F543 HydrophobicContact CG-CD2 3.66Å; R281-F543 HydrophobicContact CG-CE1 4.1Å; R281-F543 HydrophobicContact CG-CE2 3.91Å; R281-F543 HydrophobicContact CG-CG 3.64Å; R281-F543 HydrophobicContact CG-CZ 4.12Å; E282-F543 HydrophobicContact CB-CB 4.16Å; E282-F543 HydrophobicContact CG-CB 3.76Å; K284-F543 HydrophobicContact CB-CD1 4.41Å; K284-F543 WeakPolarHBondContact CG-O 3.41Å; Y286-F543 AromaticContact CD1-CE1 3.71Å; Y286-F543 HydrophobicContact CD1-CE1 3.71Å; Y286-F543 HydrophobicContact CD1-CZ 4.13Å; Y286-F543 HydrophobicContact CE1-CE1 4.35Å; Y286-F543 HydrophobicContact CE1-CZ 4.37Å; Y286-F543 HydrophobicContact CG-CE1 4.12Å; W333-F543 HydrophobicContact CH2-CZ 4.16Å; W333-F543 HydrophobicContact CZ3-CE1 4.39Å; W333-F543 HydrophobicContact CZ3-CZ 4.17Å; N539-F543 HydrophobicContact CB-CB 4.26Å; N539-F543 HydrophobicContact CB-CD2 4.03Å; N539-F543 PolarHBondContact O-N 3.4Å
544I94.7Very high96.3Very high18 Ų1830.8 Ų30.89%0.09215%0.15CC..  trans-122.442177.3-35.8174.7000110E282 F486 N539 Y540 H546 R547 L548E282-I544 HydrophobicContact CG-CG1 4.4Å; F486-I544 HydrophobicContact CE2-CD1 3.97Å; F486-I544 HydrophobicContact CZ-CD1 3.9Å; N539-I544 HydrophobicContact CB-CD1 4.21Å; N539-I544 HydrophobicContact CB-CG1 4.23Å; N539-I544 PolarHBondContact O-N 3.04Å; N539-I544 VanDerWaalsContact O-N 3.14Å; Y540-I544 HydrophobicContact CD1-CB 3.87Å; Y540-I544 HydrophobicContact CD1-CD1 4.29Å; Y540-I544 HydrophobicContact CD1-CG2 4.01Å; Y540-I544 HydrophobicContact CE1-CB 4.38Å; Y540-I544 HydrophobicContact CE1-CD1 4.29Å; Y540-I544 HydrophobicContact CE1-CG2 4.1Å; Y540-I544 CarbonylContact O-C 3.52Å; Y540-I544 PolarHBondContact O-N 3.3Å; I544-H546 WeakPolarHBondContact CG2-CE1 3.48Å; I544-H546 PolarHBondContact O-N 2.89Å; I544-H546 VanDerWaalsContact O-N 3.14Å; I544-R547 HydrophobicContact CG2-CB 3.93Å; I544-R547 PolarHBondContact O-N 3.07Å; I544-L548 PolarHBondContact O-N 3.37Å
545S87.5Confident96.3Very high17 Ų1730.9 Ų30.912%0.11915%0.15CC..Hα-helixtrans-54.8-32.5-175.356.90000113.7K284 E330 Y540 R547 L548K284-S545 WeakPolarHBondContact CE-OG 3.38Å; E330-S545 PolarHBondContact OE2-OG 2.75Å; Y540-S545 PolarHBondContact O-N 3.42Å; S545-R547 VanDerWaalsContact C-N 3.3Å; S545-R547 PolarHBondContact O-N 3.13Å; S545-L548 PolarHBondContact O-N 3.44Å
546H88.8Confident96.3Very high113 Ų11329.2 Ų29.252%0.52314%0.142SC..Hα-helixtrans-62.2-34.6178.367.2-87.2000112.9I544I544-H546 WeakPolarHBondContact CG2-CE1 3.48Å; I544-H546 PolarHBondContact O-N 2.89Å; I544-H546 VanDerWaalsContact O-N 3.14Å
547R94.3Very high96.3Very high60 Ų6032.5 Ų32.523%0.22616%0.159CC..Hα-helixtrans-90.7-28180-171.560.8178149.49.4112.2E514 Y540 I544 S545 M549 E550 I551E514-R547 IonicContact OE1-CZ 3.89Å; E514-R547 IonicContact OE1-NE 3.52Å; E514-R547 PolarHBondContact OE1-NE 3.35Å; E514-R547 IonicContact OE1-NH2 2.74Å; E514-R547 PolarHBondContact OE1-NH2 2.69Å; E514-R547 IonicContact OE2-CZ 3.64Å; E514-R547 IonicContact OE2-NE 3.75Å; E514-R547 IonicContact OE2-NH2 2.68Å; E514-R547 PolarHBondContact OE2-NH2 3.19Å; Y540-R547 HydrophobicContact CD1-CB 4.19Å; Y540-R547 HydrophobicContact CD1-CG 4.31Å; Y540-R547 HydrophobicContact CE1-CB 4.04Å; Y540-R547 HydrophobicContact CE1-CG 3.78Å; I544-R547 HydrophobicContact CG2-CB 3.93Å; I544-R547 PolarHBondContact O-N 3.07Å; S545-R547 VanDerWaalsContact C-N 3.3Å; S545-R547 PolarHBondContact O-N 3.13Å; R547-M549 VanDerWaalsContact C-N 3.34Å; R547-M549 PolarHBondContact O-N 3.45Å; R547-E550 WeakPolarHBondContact CD-OE2 3.12Å; R547-E550 IonicContact CZ-OE2 3.79Å; R547-E550 IonicContact NE-OE2 3.68Å; R547-E550 IonicContact NH1-OE2 2.69Å; R547-E550 PolarHBondContact NH1-OE2 3.4Å; R547-E550 WeakPolarHBondContact O-CB 3.38Å; R547-E550 PolarHBondContact O-N 3.34Å; R547-I551 HydrophobicContact CG-CD1 4.39Å; R547-I551 HydrophobicContact CG-CG2 3.97Å; R547-I551 VanDerWaalsContact NE-CG2 3.29Å; R547-I551 VanDerWaalsContact NH2-CG2 3.31Å; R547-I551 WeakPolarHBondContact O-CG1 2.91Å; R547-I551 PolarHBondContact O-N 2.95Å
548L95.9Very high96.3Very high3 Ų332.5 Ų32.52%0.01616%0.161CC..Hα-helixtrans-49-50.9-177.5173.964.9000112.9L534 M541 I544 S545 E550 I551 K552 I581L534-L548 HydrophobicContact CB-CD1 4.34Å; L534-L548 HydrophobicContact CD1-CD1 4.01Å; L534-L548 HydrophobicContact CD2-CD1 4.15Å; L534-L548 HydrophobicContact CG-CD1 4.4Å; M541-L548 HydrophobicContact CB-CD2 4.39Å; M541-L548 HydrophobicContact CG-CD2 4.21Å; I544-L548 PolarHBondContact O-N 3.37Å; S545-L548 PolarHBondContact O-N 3.44Å; L548-E550 PolarHBondContact O-N 2.9Å; L548-I551 PolarHBondContact O-N 3.3Å; L548-K552 WeakPolarHBondContact O-CB 3.22Å; L548-K552 PolarHBondContact O-N 3.09Å; L548-I581 HydrophobicContact CD1-CD1 4.41Å; L548-I581 HydrophobicContact CD2-CD1 4.07Å; L548-I581 HydrophobicContact CD2-CG1 3.99Å; L548-I581 HydrophobicContact CG-CD1 4.34Å
549M94Very high96.3Very high94 Ų9432.4 Ų32.446%0.46316%0.16SC..Hα-helixtrans-69.7-23.4-175.5-65-55.5-62.100113.1R547 K552 I581R547-M549 VanDerWaalsContact C-N 3.34Å; R547-M549 PolarHBondContact O-N 3.45Å; M549-K552 HydrophobicContact CE-CD 4.12Å; M549-K552 HydrophobicContact SD-CD 4.25Å; M549-I581 HydrophobicContact SD-CG2 4.37Å
550E96.3Very high96.4Very high129 Ų12932.1 Ų32.160%0.60316%0.16SC*.Hα-helixtrans-79.4-29.1178.2-57.8-179.4170.800112R547 L548R547-E550 WeakPolarHBondContact CD-OE2 3.12Å; R547-E550 IonicContact CZ-OE2 3.79Å; R547-E550 IonicContact NE-OE2 3.68Å; R547-E550 IonicContact NH1-OE2 2.69Å; R547-E550 PolarHBondContact NH1-OE2 3.4Å; R547-E550 WeakPolarHBondContact O-CB 3.38Å; R547-E550 PolarHBondContact O-N 3.34Å; L548-E550 PolarHBondContact O-N 2.9Å
551I97.7Very high96.4Very high1 Ų137 Ų371%0.00519%0.187CC..Hα-helixtrans-107.6-15.7-172.869.4172.5000114.4L510 L534 Y540 R547 L548 D553 A554 V555L510-I551 HydrophobicContact CD2-CB 3.71Å; L510-I551 HydrophobicContact CD2-CG2 3.98Å; L534-I551 HydrophobicContact CD2-CD1 4.04Å; L534-I551 HydrophobicContact CD2-CG1 4.43Å; Y540-I551 HydrophobicContact CD1-CD1 3.7Å; Y540-I551 HydrophobicContact CD2-CD1 3.94Å; Y540-I551 HydrophobicContact CE1-CD1 3.63Å; Y540-I551 HydrophobicContact CE2-CD1 3.9Å; Y540-I551 HydrophobicContact CG-CD1 3.88Å; R547-I551 HydrophobicContact CG-CD1 4.39Å; R547-I551 HydrophobicContact CG-CG2 3.97Å; R547-I551 VanDerWaalsContact NE-CG2 3.29Å; R547-I551 VanDerWaalsContact NH2-CG2 3.31Å; R547-I551 WeakPolarHBondContact O-CG1 2.91Å; R547-I551 PolarHBondContact O-N 2.95Å; L548-I551 PolarHBondContact O-N 3.3Å; I551-D553 VanDerWaalsContact C-N 3.31Å; I551-D553 PolarHBondContact O-N 2.9Å; I551-A554 PolarHBondContact O-N 3.33Å; I551-A554 VanDerWaalsContact O-N 3.14Å; I551-V555 HydrophobicContact CD1-CG2 4.48Å; I551-V555 HydrophobicContact CG1-CG2 4.46Å; I551-V555 WeakPolarHBondContact O-CG2 3.47Å; I551-V555 PolarHBondContact O-N 3.05Å
552K97.5Very high96.4Very high25 Ų2540.9 Ų40.911%0.10920%0.202CC..Hα-helixtrans-54.9-43.8-169.862.1164-157.9166.70113.5L548 M549 V555 V556 L577 D578 I581L548-K552 WeakPolarHBondContact O-CB 3.22Å; L548-K552 PolarHBondContact O-N 3.09Å; M549-K552 HydrophobicContact CE-CD 4.12Å; M549-K552 HydrophobicContact SD-CD 4.25Å; K552-V555 PolarHBondContact O-N 3.47Å; K552-V556 WeakPolarHBondContact O-CG2 3.34Å; K552-V556 PolarHBondContact O-N 3.41Å; K552-V556 VanDerWaalsContact O-N 3.14Å; K552-L577 HydrophobicContact CB-CD2 3.93Å; K552-D578 IonicContact NZ-OD1 3.94Å; K552-D578 PolarHBondContact NZ-OD1 2.98Å; K552-D578 IonicContact NZ-OD2 3.89Å; K552-I581 HydrophobicContact CD-CD1 3.98Å
553D97.9Very high96.4Very high79 Ų7943.5 Ų43.542%0.42221%0.213SC..Hα-helixtrans-74.7-37.3-176.7-61.3-23.1000110.3I551 V555 V556 D557 Q574I551-D553 VanDerWaalsContact C-N 3.31Å; I551-D553 PolarHBondContact O-N 2.9Å; D553-V555 VanDerWaalsContact C-N 3.35Å; D553-V555 PolarHBondContact O-N 3.41Å; D553-V556 PolarHBondContact O-N 2.98Å; D553-D557 WeakPolarHBondContact O-CB 3.27Å; D553-D557 VanDerWaalsContact O-CG 3.25Å; D553-D557 PolarHBondContact O-N 3.49Å; D553-Q574 PolarHBondContact OD1-NE2 2.69Å
554A98.5Very high96.4Very high12 Ų1250.5 Ų50.510%0.09925%0.25CS..Hα-helixtrans-64.5-36.4174.500000112.6E508 L510 I551 D557 A558E508-A554 WeakPolarHBondContact O-CB 3.44Å; L510-A554 HydrophobicContact CD2-CB 3.67Å; L510-A554 HydrophobicContact CG-CB 3.96Å; I551-A554 PolarHBondContact O-N 3.33Å; I551-A554 VanDerWaalsContact O-N 3.14Å; A554-D557 PolarHBondContact O-N 3.09Å; A554-A558 VanDerWaalsContact O-CB 3.3Å; A554-A558 WeakPolarHBondContact O-CB 3.48Å; A554-A558 PolarHBondContact O-N 3.46Å
555V98.7Very high96.5Very high1 Ų151.6 Ų51.61%0.00625%0.254CS..Hα-helixtrans-64.8-45.7172.6170.90000110.8L510 L518 P530 Y533 L534 I551 K552 D553 D557 A558 M559L510-V555 HydrophobicContact CD1-CG2 4.19Å; L510-V555 HydrophobicContact CD2-CG2 4.1Å; L518-V555 HydrophobicContact CD1-CG1 4.28Å; L518-V555 HydrophobicContact CD2-CG1 4.26Å; L518-V555 HydrophobicContact CD2-CG2 4.49Å; P530-V555 HydrophobicContact CB-CG1 4.38Å; Y533-V555 HydrophobicContact CD1-CG1 4Å; Y533-V555 HydrophobicContact CD1-CG2 4.38Å; Y533-V555 HydrophobicContact CE1-CG2 4.3Å; L534-V555 HydrophobicContact CD1-CG1 4.4Å; L534-V555 HydrophobicContact CD2-CG2 4.27Å; L534-V555 HydrophobicContact CG-CG1 4.47Å; I551-V555 HydrophobicContact CD1-CG2 4.48Å; I551-V555 HydrophobicContact CG1-CG2 4.46Å; I551-V555 WeakPolarHBondContact O-CG2 3.47Å; I551-V555 PolarHBondContact O-N 3.05Å; K552-V555 PolarHBondContact O-N 3.47Å; D553-V555 VanDerWaalsContact C-N 3.35Å; D553-V555 PolarHBondContact O-N 3.41Å; V555-D557 VanDerWaalsContact C-N 3.31Å; V555-D557 PolarHBondContact O-N 3.02Å; V555-A558 PolarHBondContact O-N 2.99Å; V555-M559 HydrophobicContact CG1-CG 4.44Å; V555-M559 HydrophobicContact CG1-SD 4.08Å; V555-M559 VanDerWaalsContact O-CG 3.31Å; V555-M559 WeakPolarHBondContact O-CG 3.35Å; V555-M559 PolarHBondContact O-N 3.17Å
556V98.7Very high97Very high0 Ų055.3 Ų55.30%027%0.272CS..Hα-helixtrans-60.6-43.7176.9173.90000110.7P530 K552 D553 M559 A560 K570 Q574 L577P530-V556 HydrophobicContact CB-CG2 4.08Å; P530-V556 HydrophobicContact CG-CG2 3.77Å; K552-V556 WeakPolarHBondContact O-CG2 3.34Å; K552-V556 PolarHBondContact O-N 3.41Å; K552-V556 VanDerWaalsContact O-N 3.14Å; D553-V556 PolarHBondContact O-N 2.98Å; V556-M559 PolarHBondContact O-N 2.84Å; V556-A560 WeakPolarHBondContact O-CB 3.43Å; V556-A560 PolarHBondContact O-N 3.01Å; V556-K570 HydrophobicContact CG1-CG 3.92Å; V556-Q574 HydrophobicContact CG1-CB 4.42Å; V556-L577 HydrophobicContact CG2-CD2 3.79Å
557D98.5Very high97.4Very high74 Ų7453.8 Ų53.840%0.39628%0.279SS..Hα-helixtrans-62.4-46.6177.8-73.1-12000112D553 A554 V555 M559 A560 D561 K570D553-D557 WeakPolarHBondContact O-CB 3.27Å; D553-D557 VanDerWaalsContact O-CG 3.25Å; D553-D557 PolarHBondContact O-N 3.49Å; A554-D557 PolarHBondContact O-N 3.09Å; V555-D557 VanDerWaalsContact C-N 3.31Å; V555-D557 PolarHBondContact O-N 3.02Å; D557-M559 PolarHBondContact O-N 2.96Å; D557-A560 PolarHBondContact O-N 3.28Å; D557-D561 PolarHBondContact O-N 3.3Å; D557-K570 WeakPolarHBondContact OD1-CE 3.5Å; D557-K570 IonicContact OD1-NZ 3.21Å; D557-K570 PolarHBondContact OD1-NZ 3.4Å
558A98.6Very high97.6Very high5 Ų554 Ų544%0.04129%0.294CS..Hα-helixtrans-62.4-42.6178.100000112.5F507 L518 A554 V555 Y562F507-A558 HydrophobicContact CB-CB 3.95Å; F507-A558 HydrophobicContact CD1-CB 3.67Å; F507-A558 HydrophobicContact CD2-CB 3.79Å; F507-A558 HydrophobicContact CE1-CB 4Å; F507-A558 HydrophobicContact CE2-CB 4.11Å; F507-A558 HydrophobicContact CG-CB 3.55Å; F507-A558 HydrophobicContact CZ-CB 4.21Å; L518-A558 HydrophobicContact CD2-CB 3.74Å; A554-A558 VanDerWaalsContact O-CB 3.3Å; A554-A558 WeakPolarHBondContact O-CB 3.48Å; A554-A558 PolarHBondContact O-N 3.46Å; V555-A558 PolarHBondContact O-N 2.99Å; A558-Y562 WeakPolarHBondContact O-CB 3.26Å; A558-Y562 PolarHBondContact O-N 2.9Å
559M98.7Very high97.6Very high0 Ų056 Ų560%031%0.306CS..Hα-helixtrans-69.6-37.6176.5-66.7-17575.700111.9L518 M522 T527 T529 P530 V555 V556 D557 D561 Y562 F563 W565L518-M559 HydrophobicContact CD1-CG 4.12Å; L518-M559 HydrophobicContact CD1-SD 4.3Å; L518-M559 HydrophobicContact CD2-CG 4.45Å; M522-M559 HydrophobicContact CG-CE 4.47Å; M522-M559 HydrophobicContact SD-CB 4.38Å; M522-M559 HydrophobicContact SD-CE 4.42Å; M522-M559 HydrophobicContact SD-CG 3.81Å; T527-M559 HydrophobicContact CG2-CE 4.13Å; T529-M559 VanDerWaalsContact C-CE 3.47Å; P530-M559 HydrophobicContact CB-SD 4.21Å; P530-M559 HydrophobicContact CG-SD 3.95Å; V555-M559 HydrophobicContact CG1-CG 4.44Å; V555-M559 HydrophobicContact CG1-SD 4.08Å; V555-M559 VanDerWaalsContact O-CG 3.31Å; V555-M559 WeakPolarHBondContact O-CG 3.35Å; V555-M559 PolarHBondContact O-N 3.17Å; V556-M559 PolarHBondContact O-N 2.84Å; D557-M559 PolarHBondContact O-N 2.96Å; M559-D561 VanDerWaalsContact C-N 3.33Å; M559-D561 PolarHBondContact O-N 3.04Å; M559-Y562 PolarHBondContact O-N 3.09Å; M559-F563 HydrophobicContact CB-CD2 4.36Å; M559-F563 HydrophobicContact CE-CD2 4.46Å; M559-F563 HydrophobicContact CE-CE2 3.81Å; M559-F563 WeakPolarHBondContact O-CB 3.31Å; M559-F563 WeakPolarHBondContact O-CD2 3.44Å; M559-F563 PolarHBondContact O-N 3.19Å; M559-W565 HydrophobicContact CB-CH2 3.54Å; M559-W565 HydrophobicContact CB-CZ2 4.15Å; M559-W565 HydrophobicContact CB-CZ3 3.9Å; M559-W565 HydrophobicContact CE-CH2 4.22Å; M559-W565 HydrophobicContact CE-CZ2 4.46Å; M559-W565 HydrophobicContact SD-CH2 4.43Å
560A98.5Very high97.8Very high10 Ų1055 Ų558%0.08330%0.299CS..Hα-helixtrans-62.9-40.4176.800000112.1V556 D557 D564 W565 K570V556-A560 WeakPolarHBondContact O-CB 3.43Å; V556-A560 PolarHBondContact O-N 3.01Å; D557-A560 PolarHBondContact O-N 3.28Å; A560-D564 CarbonylContact O-C 3.55Å; A560-D564 WeakPolarHBondContact O-CA 3.34Å; A560-D564 PolarHBondContact O-N 3.34Å; A560-D564 VanDerWaalsContact O-N 3.15Å; A560-W565 VanDerWaalsContact CA-CE3 3.45Å; A560-W565 HydrophobicContact CB-CB 4.1Å; A560-W565 HydrophobicContact CB-CD2 4.24Å; A560-W565 HydrophobicContact CB-CE3 3.61Å; A560-W565 HydrophobicContact CB-CG 4.49Å; A560-W565 HydrophobicContact CB-CZ3 4.31Å; A560-W565 PolarHBondContact O-N 2.99Å; A560-K570 HydrophobicContact CB-CB 4.41Å; A560-K570 HydrophobicContact CB-CD 3.97Å; A560-K570 HydrophobicContact CB-CG 4.08Å
561D97.5Very high97.9Very high119 Ų11955.3 Ų55.364%0.63630%0.301SS*.Hα-helixtrans-66.4-48.7173.4-173.259.4000111.1D557 M559 F563 D564D557-D561 PolarHBondContact O-N 3.3Å; M559-D561 VanDerWaalsContact C-N 3.33Å; M559-D561 PolarHBondContact O-N 3.04Å; D561-F563 PolarHBondContact O-N 3.3Å; D561-D564 PolarHBondContact O-N 2.98Å
562Y97.5Very high97.9Very high86 Ų8658 Ų5834%0.33732%0.323SS..Hα-helixtrans-61.5-40.4-177.9-175.3-89.4000113.7M522 E523 A558 M559M522-Y562 HydrophobicContact CB-CD1 4.41Å; M522-Y562 HydrophobicContact CB-CE1 4.1Å; M522-Y562 HydrophobicContact CE-CD1 4.06Å; M522-Y562 HydrophobicContact CE-CD2 3.76Å; M522-Y562 HydrophobicContact CE-CE2 4.31Å; M522-Y562 HydrophobicContact CE-CG 3.62Å; M522-Y562 HydrophobicContact SD-CD1 3.68Å; M522-Y562 HydrophobicContact SD-CD2 4.47Å; M522-Y562 HydrophobicContact SD-CE1 4.31Å; M522-Y562 HydrophobicContact SD-CG 3.78Å; E523-Y562 VanDerWaalsContact CG-OH 3.31Å; E523-Y562 WeakPolarHBondContact CG-OH 3.39Å; A558-Y562 WeakPolarHBondContact O-CB 3.26Å; A558-Y562 PolarHBondContact O-N 2.9Å; M559-Y562 PolarHBondContact O-N 3.09Å
563F97.2Very high98Very high66 Ų6658.8 Ų58.829%0.28933%0.325SS..THydrogen-bonded Turntrans-97.57.9-178.2-68.4-61.4000114M522 T527 L528 M559 D561 W565M522-F563 HydrophobicContact CB-CZ 4.25Å; M522-F563 HydrophobicContact CG-CE2 4.13Å; M522-F563 HydrophobicContact CG-CZ 4.18Å; M522-F563 HydrophobicContact SD-CD2 4.38Å; M522-F563 HydrophobicContact SD-CE2 3.7Å; M522-F563 HydrophobicContact SD-CZ 4.14Å; T527-F563 WeakPolarHBondContact O-CZ 3.3Å; L528-F563 HydrophobicContact CD2-CZ 4.41Å; M559-F563 HydrophobicContact CB-CD2 4.36Å; M559-F563 HydrophobicContact CE-CD2 4.46Å; M559-F563 HydrophobicContact CE-CE2 3.81Å; M559-F563 WeakPolarHBondContact O-CB 3.31Å; M559-F563 WeakPolarHBondContact O-CD2 3.44Å; M559-F563 PolarHBondContact O-N 3.19Å; D561-F563 PolarHBondContact O-N 3.3Å; F563-W565 VanDerWaalsContact C-N 3.29Å; F563-W565 VanDerWaalsContact CB-CD1 3.48Å; F563-W565 HydrophobicContact CB-CG 4.34Å; F563-W565 AromaticContact CD2-CE2 3.98Å; F563-W565 AromaticContact CD2-CZ2 3.73Å; F563-W565 HydrophobicContact CD2-CZ2 3.73Å; F563-W565 AromaticContact CD2-NE1 3.96Å; F563-W565 HydrophobicContact CE2-CZ2 4.46Å; F563-W565 HydrophobicContact CG-CZ2 4.49Å; F563-W565 AromaticContact CG-NE1 3.86Å; F563-W565 PolarHBondContact O-N 3.43Å
564D97.6Very high98Very high148 Ų14856.7 Ų56.779%0.79131%0.313SS*.THydrogen-bonded Turntrans51.144.8-176.8-67.1-53.6000113.1A560 D561 N566A560-D564 CarbonylContact O-C 3.55Å; A560-D564 WeakPolarHBondContact O-CA 3.34Å; A560-D564 PolarHBondContact O-N 3.34Å; A560-D564 VanDerWaalsContact O-N 3.15Å; D561-D564 PolarHBondContact O-N 2.98Å; D564-N566 PolarHBondContact O-N 3.39Å
565W97.5Very high98Very high42 Ų4259.2 Ų59.216%0.15933%0.33CS..  trans-66.2136.8179.9-68.8-10.2000111.6P530 M559 A560 F563 T569 K570 Y573P530-W565 HydrophobicContact CG-CH2 4.3Å; M559-W565 HydrophobicContact CB-CH2 3.54Å; M559-W565 HydrophobicContact CB-CZ2 4.15Å; M559-W565 HydrophobicContact CB-CZ3 3.9Å; M559-W565 HydrophobicContact CE-CH2 4.22Å; M559-W565 HydrophobicContact CE-CZ2 4.46Å; M559-W565 HydrophobicContact SD-CH2 4.43Å; A560-W565 VanDerWaalsContact CA-CE3 3.45Å; A560-W565 HydrophobicContact CB-CB 4.1Å; A560-W565 HydrophobicContact CB-CD2 4.24Å; A560-W565 HydrophobicContact CB-CE3 3.61Å; A560-W565 HydrophobicContact CB-CG 4.49Å; A560-W565 HydrophobicContact CB-CZ3 4.31Å; A560-W565 PolarHBondContact O-N 2.99Å; F563-W565 VanDerWaalsContact C-N 3.29Å; F563-W565 VanDerWaalsContact CB-CD1 3.48Å; F563-W565 HydrophobicContact CB-CG 4.34Å; F563-W565 AromaticContact CD2-CE2 3.98Å; F563-W565 AromaticContact CD2-CZ2 3.73Å; F563-W565 HydrophobicContact CD2-CZ2 3.73Å; F563-W565 AromaticContact CD2-NE1 3.96Å; F563-W565 HydrophobicContact CE2-CZ2 4.46Å; F563-W565 HydrophobicContact CG-CZ2 4.49Å; F563-W565 AromaticContact CG-NE1 3.86Å; F563-W565 PolarHBondContact O-N 3.43Å; W565-T569 HydrophobicContact CB-CG2 4.03Å; W565-T569 HydrophobicContact CD2-CG2 3.99Å; W565-T569 HydrophobicContact CG-CG2 3.66Å; W565-K570 HydrophobicContact CE3-CB 4.48Å; W565-Y573 AromaticContact CD2-CD2 3.78Å; W565-Y573 HydrophobicContact CD2-CD2 3.78Å; W565-Y573 AromaticContact CD2-CE2 3.98Å; W565-Y573 HydrophobicContact CD2-CE2 3.98Å; W565-Y573 AromaticContact CE2-CD2 3.65Å; W565-Y573 AromaticContact CE2-CE2 3.47Å; W565-Y573 VanDerWaalsContact CE2-CE2 3.47Å; W565-Y573 AromaticContact CE3-CD2 3.65Å; W565-Y573 HydrophobicContact CE3-CD2 3.65Å; W565-Y573 HydrophobicContact CE3-CE2 4.32Å; W565-Y573 AromaticContact CH2-CD2 3.35Å; W565-Y573 HydrophobicContact CH2-CD2 3.35Å; W565-Y573 AromaticContact CH2-CE2 3.83Å; W565-Y573 HydrophobicContact CH2-CE2 3.83Å; W565-Y573 HydrophobicContact CH2-CG 4.06Å; W565-Y573 AromaticContact CZ2-CD2 3.45Å; W565-Y573 HydrophobicContact CZ2-CD2 3.45Å; W565-Y573 VanDerWaalsContact CZ2-CD2 3.45Å; W565-Y573 AromaticContact CZ2-CE2 3.4Å; W565-Y573 HydrophobicContact CZ2-CE2 3.4Å; W565-Y573 HydrophobicContact CZ2-CG 4.47Å; W565-Y573 AromaticContact CZ3-CD2 3.45Å; W565-Y573 HydrophobicContact CZ3-CD2 3.45Å; W565-Y573 VanDerWaalsContact CZ3-CD2 3.45Å; W565-Y573 HydrophobicContact CZ3-CE2 4.26Å; W565-Y573 HydrophobicContact CZ3-CG 4.15Å; W565-Y573 AromaticContact NE1-CE2 3.93Å
566N97.2Very high97.9Very high94 Ų9462.7 Ų62.750%0.50335%0.346SS..  trans-72.4165.9165.970.659.1000110.8D564 A568 T569 K570D564-N566 PolarHBondContact O-N 3.39Å; N566-A568 VanDerWaalsContact C-N 3.27Å; N566-A568 PolarHBondContact O-N 3.39Å; N566-A568 WeakPolarHBondContact OD1-CA 3.07Å; N566-A568 WeakPolarHBondContact OD1-CB 3.46Å; N566-A568 PolarHBondContact OD1-N 3.39Å; N566-T569 PolarHBondContact ND2-OG1 3.41Å; N566-T569 PolarHBondContact O-N 2.72Å; N566-T569 PolarHBondContact OD1-N 2.7Å; N566-T569 PolarHBondContact OD1-OG1 2.8Å; N566-K570 PolarHBondContact O-N 3.5Å
567A97.6Very high97.9Very high81 Ų8162.7 Ų62.767%0.66935%0.346SS*.Hα-helixtrans-56.7-36.9-177.600000113.8E571A567-E571 WeakPolarHBondContact O-CB 3.46Å; A567-E571 PolarHBondContact O-N 2.64Å
568A97.6Very high97.9Very high65 Ų6561.4 Ų61.454%0.53734%0.339SS..Hα-helixtrans-71.6-40.1179.800000112.1N566 E571 A572N566-A568 VanDerWaalsContact C-N 3.27Å; N566-A568 PolarHBondContact O-N 3.39Å; N566-A568 WeakPolarHBondContact OD1-CA 3.07Å; N566-A568 WeakPolarHBondContact OD1-CB 3.46Å; N566-A568 PolarHBondContact OD1-N 3.39Å; A568-E571 PolarHBondContact O-N 3.18Å; A568-A572 WeakPolarHBondContact O-CB 3.47Å; A568-A572 PolarHBondContact O-N 3.14Å
569T96.9Very high97.8Very high45 Ų4565.7 Ų65.728%0.27636%0.359SS..Hα-helixtrans-63.5-44.3174-60.30000110.9W565 N566 A572 Y573W565-T569 HydrophobicContact CB-CG2 4.03Å; W565-T569 HydrophobicContact CD2-CG2 3.99Å; W565-T569 HydrophobicContact CG-CG2 3.66Å; N566-T569 PolarHBondContact ND2-OG1 3.41Å; N566-T569 PolarHBondContact O-N 2.72Å; N566-T569 PolarHBondContact OD1-N 2.7Å; N566-T569 PolarHBondContact OD1-OG1 2.8Å; T569-A572 PolarHBondContact O-N 3.41Å; T569-Y573 HydrophobicContact CG2-CD2 3.78Å; T569-Y573 HydrophobicContact CG2-CE2 3.49Å; T569-Y573 VanDerWaalsContact CG2-CE2 3.49Å; T569-Y573 WeakPolarHBondContact O-CD2 3.17Å; T569-Y573 PolarHBondContact O-N 3.49Å
570K98.3Very high97.8Very high73 Ų7367.6 Ų67.632%0.31737%0.367SS..Hα-helixtrans-59.7-47.4175.7-177.3-178.7178.1178.70111.9V556 D557 A560 W565 N566 A572 Y573 Q574V556-K570 HydrophobicContact CG1-CG 3.92Å; D557-K570 WeakPolarHBondContact OD1-CE 3.5Å; D557-K570 IonicContact OD1-NZ 3.21Å; D557-K570 PolarHBondContact OD1-NZ 3.4Å; A560-K570 HydrophobicContact CB-CB 4.41Å; A560-K570 HydrophobicContact CB-CD 3.97Å; A560-K570 HydrophobicContact CB-CG 4.08Å; W565-K570 HydrophobicContact CE3-CB 4.48Å; N566-K570 PolarHBondContact O-N 3.5Å; K570-A572 VanDerWaalsContact C-N 3.32Å; K570-A572 PolarHBondContact O-N 2.98Å; K570-Y573 PolarHBondContact O-N 3.05Å; K570-Q574 WeakPolarHBondContact O-CB 3.4Å; K570-Q574 PolarHBondContact O-N 2.74Å
571E98.2Very high97.7Very high136 Ų13667.5 Ų67.564%0.63637%0.365SS*.Hα-helixtrans-62.6-38.1177.8-175.5176.9-169.800112.3A567 A568 S575A567-E571 WeakPolarHBondContact O-CB 3.46Å; A567-E571 PolarHBondContact O-N 2.64Å; A568-E571 PolarHBondContact O-N 3.18Å; E571-S575 WeakPolarHBondContact O-CB 3.49Å; E571-S575 PolarHBondContact O-N 2.66Å; E571-S575 PolarHBondContact O-OG 3.14Å
572A98Very high97.6Very high57 Ų5766.3 Ų66.347%0.47136%0.355SS..Hα-helixtrans-63.3-47.9176.100000111.9A568 T569 K570 S575 E576A568-A572 WeakPolarHBondContact O-CB 3.47Å; A568-A572 PolarHBondContact O-N 3.14Å; T569-A572 PolarHBondContact O-N 3.41Å; K570-A572 VanDerWaalsContact C-N 3.32Å; K570-A572 PolarHBondContact O-N 2.98Å; A572-S575 PolarHBondContact O-N 2.97Å; A572-E576 PolarHBondContact O-N 3.39Å
573Y98.1Very high97.6Very high41 Ų4164.9 Ų64.916%0.16135%0.351CS..Hα-helixtrans-69.9-32.9178.3-71.4-44.8000113.4T529 W565 T569 K570 S575 E576 L577T529-Y573 HydrophobicContact CG2-CD1 4.14Å; T529-Y573 HydrophobicContact CG2-CE1 3.65Å; W565-Y573 AromaticContact CD2-CD2 3.78Å; W565-Y573 HydrophobicContact CD2-CD2 3.78Å; W565-Y573 AromaticContact CD2-CE2 3.98Å; W565-Y573 HydrophobicContact CD2-CE2 3.98Å; W565-Y573 AromaticContact CE2-CD2 3.65Å; W565-Y573 AromaticContact CE2-CE2 3.47Å; W565-Y573 VanDerWaalsContact CE2-CE2 3.47Å; W565-Y573 AromaticContact CE3-CD2 3.65Å; W565-Y573 HydrophobicContact CE3-CD2 3.65Å; W565-Y573 HydrophobicContact CE3-CE2 4.32Å; W565-Y573 AromaticContact CH2-CD2 3.35Å; W565-Y573 HydrophobicContact CH2-CD2 3.35Å; W565-Y573 AromaticContact CH2-CE2 3.83Å; W565-Y573 HydrophobicContact CH2-CE2 3.83Å; W565-Y573 HydrophobicContact CH2-CG 4.06Å; W565-Y573 AromaticContact CZ2-CD2 3.45Å; W565-Y573 HydrophobicContact CZ2-CD2 3.45Å; W565-Y573 VanDerWaalsContact CZ2-CD2 3.45Å; W565-Y573 AromaticContact CZ2-CE2 3.4Å; W565-Y573 HydrophobicContact CZ2-CE2 3.4Å; W565-Y573 HydrophobicContact CZ2-CG 4.47Å; W565-Y573 AromaticContact CZ3-CD2 3.45Å; W565-Y573 HydrophobicContact CZ3-CD2 3.45Å; W565-Y573 VanDerWaalsContact CZ3-CD2 3.45Å; W565-Y573 HydrophobicContact CZ3-CE2 4.26Å; W565-Y573 HydrophobicContact CZ3-CG 4.15Å; W565-Y573 AromaticContact NE1-CE2 3.93Å; T569-Y573 HydrophobicContact CG2-CD2 3.78Å; T569-Y573 HydrophobicContact CG2-CE2 3.49Å; T569-Y573 VanDerWaalsContact CG2-CE2 3.49Å; T569-Y573 WeakPolarHBondContact O-CD2 3.17Å; T569-Y573 PolarHBondContact O-N 3.49Å; K570-Y573 PolarHBondContact O-N 3.05Å; Y573-S575 VanDerWaalsContact C-N 3.34Å; Y573-E576 WeakPolarHBondContact CD1-OE2 3.49Å; Y573-L577 WeakPolarHBondContact O-CB 3.44Å; Y573-L577 PolarHBondContact O-N 3.34Å
574Q98.3Very high97.6Very high35 Ų3562 Ų6216%0.16434%0.339CS..Hα-helixtrans-61.5-44.9169.7-174.973.454.800110.9D553 V556 K570 L577 D578D553-Q574 PolarHBondContact OD1-NE2 2.69Å; V556-Q574 HydrophobicContact CG1-CB 4.42Å; K570-Q574 WeakPolarHBondContact O-CB 3.4Å; K570-Q574 PolarHBondContact O-N 2.74Å; Q574-L577 PolarHBondContact O-N 3.23Å; Q574-D578 WeakPolarHBondContact O-CB 3.19Å; Q574-D578 PolarHBondContact O-N 3.03Å
575S98.3Very high97.5Very high66 Ų6657.7 Ų57.746%0.46231%0.314SS..Hα-helixtrans-66.2-40179.9-60.50000112.2E571 A572 Y573 D578 Q579E571-S575 WeakPolarHBondContact O-CB 3.49Å; E571-S575 PolarHBondContact O-N 2.66Å; E571-S575 PolarHBondContact O-OG 3.14Å; A572-S575 PolarHBondContact O-N 2.97Å; Y573-S575 VanDerWaalsContact C-N 3.34Å; S575-D578 PolarHBondContact O-N 3.25Å; S575-Q579 WeakPolarHBondContact O-CB 3.49Å; S575-Q579 PolarHBondContact O-N 3.31Å
576E97.9Very high97.5Very high74 Ų7456.1 Ų56.135%0.34631%0.309SS..Hα-helixtrans-60.1-48.3173.2-176.9-178.1170.100111V531 A572 Y573 D578 Q579 Q580V531-E576 HydrophobicContact CG2-CG 4.26Å; A572-E576 PolarHBondContact O-N 3.39Å; Y573-E576 WeakPolarHBondContact CD1-OE2 3.49Å; E576-D578 PolarHBondContact O-N 3.43Å; E576-Q579 PolarHBondContact O-N 3.22Å; E576-Q580 WeakPolarHBondContact O-CB 3.38Å; E576-Q580 PolarHBondContact O-N 3.13Å
577L98.2Very high97.4Very high0 Ų053.5 Ų53.50%030%0.296CS..Hα-helixtrans-59.3-47.6177.1177.959.6000111.8P530 V531 L534 M541 K552 V556 Y573 Q574 Q579 Q580 I581P530-L577 HydrophobicContact CB-CD2 3.95Å; V531-L577 HydrophobicContact CG2-CB 4.41Å; V531-L577 HydrophobicContact CG2-CD1 4.13Å; L534-L577 HydrophobicContact CD1-CD1 3.72Å; L534-L577 HydrophobicContact CD1-CD2 3.86Å; L534-L577 HydrophobicContact CD1-CG 4.45Å; M541-L577 HydrophobicContact CE-CD1 3.76Å; K552-L577 HydrophobicContact CB-CD2 3.93Å; V556-L577 HydrophobicContact CG2-CD2 3.79Å; Y573-L577 WeakPolarHBondContact O-CB 3.44Å; Y573-L577 PolarHBondContact O-N 3.34Å; Q574-L577 PolarHBondContact O-N 3.23Å; L577-Q579 VanDerWaalsContact C-N 3.32Å; L577-Q579 PolarHBondContact O-N 3.22Å; L577-Q580 PolarHBondContact O-N 3.48Å; L577-I581 HydrophobicContact CD1-CD1 4.01Å; L577-I581 HydrophobicContact CD1-CG1 4.27Å; L577-I581 HydrophobicContact CG-CD1 3.98Å; L577-I581 VanDerWaalsContact O-CG1 3.3Å; L577-I581 WeakPolarHBondContact O-CG1 3.46Å; L577-I581 PolarHBondContact O-N 2.82Å
578D97.7Very high97.2Very high46 Ų4654.1 Ų54.125%0.24629%0.288CS..Hα-helixtrans-64-36.9179.4-77.1-18.2000112.3K552 Q574 S575 E576 K582K552-D578 IonicContact NZ-OD1 3.94Å; K552-D578 PolarHBondContact NZ-OD1 2.98Å; K552-D578 IonicContact NZ-OD2 3.89Å; Q574-D578 WeakPolarHBondContact O-CB 3.19Å; Q574-D578 PolarHBondContact O-N 3.03Å; S575-D578 PolarHBondContact O-N 3.25Å; E576-D578 PolarHBondContact O-N 3.43Å; D578-K582 VanDerWaalsContact O-CG 3.31Å; D578-K582 WeakPolarHBondContact O-CG 3.28Å; D578-K582 PolarHBondContact O-N 2.83Å; D578-K582 VanDerWaalsContact O-N 3.08Å
579Q97.3Very high97.1Very high96 Ų9653 Ų5345%0.44927%0.273SS..Hα-helixtrans-67.4-44175.5-177.156.53800111.4S575 E576 L577 I581 K582 E583S575-Q579 WeakPolarHBondContact O-CB 3.49Å; S575-Q579 PolarHBondContact O-N 3.31Å; E576-Q579 PolarHBondContact O-N 3.22Å; L577-Q579 VanDerWaalsContact C-N 3.32Å; L577-Q579 PolarHBondContact O-N 3.22Å; Q579-I581 VanDerWaalsContact C-N 3.34Å; Q579-I581 PolarHBondContact O-N 3.05Å; Q579-K582 PolarHBondContact O-N 2.93Å; Q579-E583 PolarHBondContact O-N 3.36Å
580Q97.5Very high96.9Very high39 Ų3953.3 Ų53.318%0.18227%0.27CS..Hα-helixtrans-63.1-40.6177.2-174.162.259.800111.6V531 L535 M541 E576 L577 E583 T584V531-Q580 HydrophobicContact CG1-CG 4.09Å; V531-Q580 HydrophobicContact CG2-CB 4.17Å; V531-Q580 HydrophobicContact CG2-CG 4.43Å; L535-Q580 HydrophobicContact CD2-CG 4.14Å; M541-Q580 HydrophobicContact CE-CB 4.42Å; M541-Q580 HydrophobicContact CE-CG 3.94Å; M541-Q580 HydrophobicContact SD-CB 4.49Å; M541-Q580 HydrophobicContact SD-CG 3.58Å; M541-Q580 VanDerWaalsContact SD-CG 3.58Å; E576-Q580 WeakPolarHBondContact O-CB 3.38Å; E576-Q580 PolarHBondContact O-N 3.13Å; L577-Q580 PolarHBondContact O-N 3.48Å; Q580-E583 PolarHBondContact O-N 2.94Å; Q580-T584 PolarHBondContact NE2-OG1 2.99Å; Q580-T584 WeakPolarHBondContact O-CB 3.19Å; Q580-T584 PolarHBondContact O-N 3.46Å; Q580-T584 PolarHBondContact O-OG1 3.23Å
581I97.1Very high95.8Very high8 Ų856 Ų564%0.04128%0.282CS..Hα-helixtrans-61.4-45.2174.9-69.5169.1000110.5M541 L548 M549 K552 L577 Q579 E583 T584 Q585M541-I581 HydrophobicContact CE-CG1 4.03Å; L548-I581 HydrophobicContact CD1-CD1 4.41Å; L548-I581 HydrophobicContact CD2-CD1 4.07Å; L548-I581 HydrophobicContact CD2-CG1 3.99Å; L548-I581 HydrophobicContact CG-CD1 4.34Å; M549-I581 HydrophobicContact SD-CG2 4.37Å; K552-I581 HydrophobicContact CD-CD1 3.98Å; L577-I581 HydrophobicContact CD1-CD1 4.01Å; L577-I581 HydrophobicContact CD1-CG1 4.27Å; L577-I581 HydrophobicContact CG-CD1 3.98Å; L577-I581 VanDerWaalsContact O-CG1 3.3Å; L577-I581 WeakPolarHBondContact O-CG1 3.46Å; L577-I581 PolarHBondContact O-N 2.82Å; Q579-I581 VanDerWaalsContact C-N 3.34Å; Q579-I581 PolarHBondContact O-N 3.05Å; I581-E583 VanDerWaalsContact C-N 3.33Å; I581-E583 PolarHBondContact O-N 2.79Å; I581-T584 PolarHBondContact O-N 3.49Å; I581-Q585 HydrophobicContact CG2-CG 4.3Å; I581-Q585 WeakPolarHBondContact O-CB 3.43Å; I581-Q585 VanDerWaalsContact O-CG 3.3Å; I581-Q585 WeakPolarHBondContact O-CG 3.48Å; I581-Q585 PolarHBondContact O-N 3.24Å
582K96.2Very high93.8Very high94 Ų9460.2 Ų60.241%0.40930%0.301SS..Hα-helixtrans-60.7-42.4178.6-75.8172.1-171167.60112.4D578 Q579 Q585 L586 T587D578-K582 VanDerWaalsContact O-CG 3.31Å; D578-K582 WeakPolarHBondContact O-CG 3.28Å; D578-K582 PolarHBondContact O-N 2.83Å; D578-K582 VanDerWaalsContact O-N 3.08Å; Q579-K582 PolarHBondContact O-N 2.93Å; K582-Q585 PolarHBondContact O-N 3.25Å; K582-L586 PolarHBondContact O-N 3.1Å; K582-T587 WeakPolarHBondContact CA-OG1 3.29Å; K582-T587 HydrophobicContact CG-CG2 4.42Å; K582-T587 WeakPolarHBondContact O-CB 3.1Å; K582-T587 PolarHBondContact O-N 3.37Å; K582-T587 PolarHBondContact O-OG1 3.21Å
583E96.3Very high93.5Very high56 Ų5660.4 Ų60.426%0.26229%0.293SS..Hα-helixtrans-63.9-51.1177.1-175.4177.7156.600110.9Q579 Q580 I581 Q585 L586Q579-E583 PolarHBondContact O-N 3.36Å; Q580-E583 PolarHBondContact O-N 2.94Å; I581-E583 VanDerWaalsContact C-N 3.33Å; I581-E583 PolarHBondContact O-N 2.79Å; E583-Q585 VanDerWaalsContact C-N 3.27Å; E583-Q585 PolarHBondContact O-N 3.29Å; E583-L586 PolarHBondContact O-N 2.71Å
584T97Very high93.3Very high6 Ų661.4 Ų61.44%0.03730%0.3CS..Hα-helixtrans-57.2-40177.3-61.10000111.5A331 A332 M541 L542 Q580 I581 L586A331-T584 CarbonylContact C-O 3.31Å; A331-T584 VanDerWaalsContact C-O 3.26Å; A331-T584 VanDerWaalsContact CA-O 3.23Å; A331-T584 WeakPolarHBondContact CA-O 3.39Å; A331-T584 HydrophobicContact CB-CG2 3.55Å; A332-T584 PolarHBondContact N-O 3.36Å; M541-T584 HydrophobicContact CG-CG2 4.12Å; L542-T584 HydrophobicContact CD2-CG2 3.93Å; Q580-T584 PolarHBondContact NE2-OG1 2.99Å; Q580-T584 WeakPolarHBondContact O-CB 3.19Å; Q580-T584 PolarHBondContact O-N 3.46Å; Q580-T584 PolarHBondContact O-OG1 3.23Å; I581-T584 PolarHBondContact O-N 3.49Å; T584-L586 PolarHBondContact O-N 3.24Å
585Q96.5Very high93Very high57 Ų5762.8 Ų62.827%0.26631%0.307SS..THydrogen-bonded Turntrans-812.8179.7-69.5179.1-1000114.3E330 I581 K582 E583 T587 K590E330-Q585 WeakPolarHBondContact O-CG 3.15Å; I581-Q585 HydrophobicContact CG2-CG 4.3Å; I581-Q585 WeakPolarHBondContact O-CB 3.43Å; I581-Q585 VanDerWaalsContact O-CG 3.3Å; I581-Q585 WeakPolarHBondContact O-CG 3.48Å; I581-Q585 PolarHBondContact O-N 3.24Å; K582-Q585 PolarHBondContact O-N 3.25Å; E583-Q585 VanDerWaalsContact C-N 3.27Å; E583-Q585 PolarHBondContact O-N 3.29Å; Q585-T587 PolarHBondContact O-N 3.27Å; Q585-K590 WeakPolarHBondContact O-CE 3.43Å; Q585-K590 PolarHBondContact O-NZ 3.13Å
586L97.1Very high92.7Very high9 Ų962.6 Ų62.65%0.04730%0.298CS..THydrogen-bonded Turntrans53.735.3-176-54.4-177.3000113.1L251 V303 V308 I329 A332 K582 E583 T584 D588 L589 K590L251-L586 HydrophobicContact CD2-CD1 4Å; V303-L586 HydrophobicContact CB-CD2 3.66Å; V303-L586 HydrophobicContact CG1-CD1 4.23Å; V303-L586 HydrophobicContact CG1-CD2 3.85Å; V303-L586 HydrophobicContact CG2-CD2 4.08Å; V308-L586 HydrophobicContact CG2-CD1 3.93Å; I329-L586 HydrophobicContact CB-CD1 4.5Å; I329-L586 HydrophobicContact CG2-CD1 3.91Å; I329-L586 HydrophobicContact CG2-CG 4.49Å; A332-L586 HydrophobicContact CB-CD1 3.99Å; A332-L586 HydrophobicContact CB-CD2 3.78Å; A332-L586 HydrophobicContact CB-CG 3.86Å; K582-L586 PolarHBondContact O-N 3.1Å; E583-L586 PolarHBondContact O-N 2.71Å; T584-L586 PolarHBondContact O-N 3.24Å; L586-D588 PolarHBondContact O-N 2.84Å; L586-D588 VanDerWaalsContact O-N 3.1Å; L586-L589 HydrophobicContact CB-CB 4.37Å; L586-L589 HydrophobicContact CB-CD1 4.45Å; L586-L589 HydrophobicContact CD1-CD1 4.41Å; L586-L589 HydrophobicContact CD2-CD1 4.19Å; L586-L589 PolarHBondContact O-N 3.36Å; L586-K590 PolarHBondContact O-N 3.08Å; L586-K590 VanDerWaalsContact O-N 3.16Å
587T95.5Very high92.4Very high39 Ų3961.9 Ų61.924%0.23930%0.295CS..THydrogen-bonded Turntrans-57-32.6-172.8-620000112.4K582 Q585 K591K582-T587 WeakPolarHBondContact CA-OG1 3.29Å; K582-T587 HydrophobicContact CG-CG2 4.42Å; K582-T587 WeakPolarHBondContact O-CB 3.1Å; K582-T587 PolarHBondContact O-N 3.37Å; K582-T587 PolarHBondContact O-OG1 3.21Å; Q585-T587 PolarHBondContact O-N 3.27Å; T587-K591 WeakPolarHBondContact O-CE 3.14Å; T587-K591 WeakPolarHBondContact O-CG 3.09Å
588D92.8Very high92Very high94 Ų9466.1 Ų66.150%0.50332%0.315SS..THydrogen-bonded Turntrans-80.2-28.7179.7-69.6-28.4000113.5L586 K591L586-D588 PolarHBondContact O-N 2.84Å; L586-D588 VanDerWaalsContact O-N 3.1Å; D588-K591 IonicContact OD1-NZ 2.78Å; D588-K591 PolarHBondContact OD1-NZ 2.68Å
589L95Very high91.6Very high43 Ų4367.5 Ų67.523%0.22532%0.32CS..G310 helixtrans-76.2-30.5176.1-65.6-179.5000112.4V303 V308 I326 L586 K591V303-L589 HydrophobicContact CG1-CD1 4.27Å; V308-L589 HydrophobicContact CG2-CD1 4.15Å; I326-L589 HydrophobicContact CD1-CB 3.66Å; L586-L589 HydrophobicContact CB-CB 4.37Å; L586-L589 HydrophobicContact CB-CD1 4.45Å; L586-L589 HydrophobicContact CD1-CD1 4.41Å; L586-L589 HydrophobicContact CD2-CD1 4.19Å; L586-L589 PolarHBondContact O-N 3.36Å; L589-K591 PolarHBondContact O-N 3.11Å
590K94.3Very high91.2Very high50 Ų5065.3 Ų65.322%0.21731%0.31CS..G310 helixtrans-72.4-1.8177.2-68.1173.4175.9168.30114.8I326 I329 Q585 L586 H592I326-K590 HydrophobicContact CD1-CG 4.27Å; I326-K590 HydrophobicContact CG1-CG 3.97Å; I326-K590 HydrophobicContact CG2-CG 4.47Å; I326-K590 WeakPolarHBondContact O-CE 3.11Å; I329-K590 PolarHBondContact O-NZ 2.69Å; Q585-K590 WeakPolarHBondContact O-CE 3.43Å; Q585-K590 PolarHBondContact O-NZ 3.13Å; L586-K590 PolarHBondContact O-N 3.08Å; L586-K590 VanDerWaalsContact O-N 3.16Å; K590-H592 PolarHBondContact O-N 2.69Å
591K74Confident90.6Very high131 Ų13167.5 Ų67.557%0.5732%0.321SS*.G310 helixtrans-83.415.9-174.2-77.5173.2-172.9163.70114.6T587 D588 L589T587-K591 WeakPolarHBondContact O-CE 3.14Å; T587-K591 WeakPolarHBondContact O-CG 3.09Å; D588-K591 IonicContact OD1-NZ 2.78Å; D588-K591 PolarHBondContact OD1-NZ 2.68Å; L589-K591 PolarHBondContact O-N 3.11Å
592H55.9Low90Very high223 Ų22372.9 Ų72.9100%1.03235%0.346SS*.  trans-138.60-178.2-63-48.5000110.5K590K590-H592 PolarHBondContact O-N 2.69Å

Retrieved 592 of 592 residues in 119 ms (Link to these results)

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