A0A5K4FBE7_SCHMA Loading...

CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase

Functions in the biosynthesis of the anionic phospholipids phosphatidylglycerol and cardiolipin.

AlphaFold DB , UniProt , Accession A0A5K4FBE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 524 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
1M67Low84Confident83 Ų8352.3 Ų52.341%0.40928%0.28SS..  0-46.90-152.2174.4-56.500113.9L3 Q4 F5 Y298 I320M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.43Å; M1-Q4 WeakPolarHBondContact O-CA 3.49Å; M1-Q4 VanDerWaalsContact O-CB 3.29Å; M1-Q4 WeakPolarHBondContact O-CB 2.92Å; M1-Q4 PolarHBondContact O-N 3.23Å; M1-F5 PolarHBondContact O-N 3.3Å; M1-Y298 HydrophobicContact CB-CD2 3.84Å; M1-Y298 HydrophobicContact CB-CE2 3.65Å; M1-Y298 HydrophobicContact CE-CD2 3.91Å; M1-Y298 HydrophobicContact CE-CE2 3.89Å; M1-Y298 HydrophobicContact CG-CD2 3.96Å; M1-Y298 HydrophobicContact CG-CE2 4.24Å; M1-Y298 HydrophobicContact SD-CD2 3.25Å; M1-Y298 WeakPolarHBondContact SD-CD2 3.37Å; M1-Y298 HydrophobicContact SD-CE2 3.79Å; M1-Y298 HydrophobicContact SD-CG 4.24Å; M1-I320 HydrophobicContact CE-CD1 3.65Å
2I76.9Confident85Confident13 Ų1347.9 Ų47.97%0.06726%0.257CS..Hα-helixtrans-52.1-46.2178.6-64.8159000112.3Q4 F5 T6 I275 F291 L295 Y298 L446 V470I2-Q4 PolarHBondContact O-N 3.24Å; I2-F5 VanDerWaalsContact CA-CE1 3.43Å; I2-F5 HydrophobicContact CB-CE1 4.12Å; I2-F5 HydrophobicContact CB-CZ 3.96Å; I2-F5 HydrophobicContact CG1-CE1 3.91Å; I2-F5 HydrophobicContact CG1-CZ 3.79Å; I2-F5 HydrophobicContact CG2-CE1 4.47Å; I2-F5 HydrophobicContact CG2-CE2 4.14Å; I2-F5 HydrophobicContact CG2-CZ 3.83Å; I2-F5 PolarHBondContact O-N 2.95Å; I2-T6 WeakPolarHBondContact O-CB 3.36Å; I2-T6 PolarHBondContact O-N 3.39Å; I2-T6 PolarHBondContact O-OG1 2.81Å; I2-I275 HydrophobicContact CG2-CD1 4.2Å; I2-F291 HydrophobicContact CG2-CZ 4.38Å; I2-L295 HydrophobicContact CG1-CD1 4.49Å; I2-Y298 HydrophobicContact CD1-CE1 4.32Å; I2-Y298 HydrophobicContact CG1-CD1 4.32Å; I2-Y298 HydrophobicContact CG1-CE1 4.29Å; I2-L446 HydrophobicContact CD1-CD1 3.83Å; I2-V470 HydrophobicContact CD1-CG1 4.23Å; I2-V470 HydrophobicContact CD1-CG2 4.23Å; I2-V470 HydrophobicContact CG2-CG2 4.19Å
3L79.2Confident85.8Confident76 Ų7645.5 Ų45.540%0.39824%0.244SC..Hα-helixtrans-57.9-32.7175.5-56.5-179.6000113.6M1 G7 I13 Y273M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.43Å; L3-G7 PolarHBondContact O-N 3.18Å; L3-I13 HydrophobicContact CD2-CD1 3.15Å; L3-Y273 HydrophobicContact CD1-CE1 4.07Å; L3-Y273 HydrophobicContact CD2-CD1 3.77Å; L3-Y273 HydrophobicContact CD2-CE1 3.87Å; L3-Y273 HydrophobicContact CD2-CG 4.2Å
4Q79.6Confident86.5Confident106 Ų10642.8 Ų42.850%0.49523%0.228SC..Hα-helixtrans-69.1-50.4-179.7-67.8169.8-44.200110.8M1 I2 T6 G7 C8M1-Q4 WeakPolarHBondContact O-CA 3.49Å; M1-Q4 VanDerWaalsContact O-CB 3.29Å; M1-Q4 WeakPolarHBondContact O-CB 2.92Å; M1-Q4 PolarHBondContact O-N 3.23Å; I2-Q4 PolarHBondContact O-N 3.24Å; Q4-T6 VanDerWaalsContact C-N 3.34Å; Q4-T6 PolarHBondContact O-N 3.4Å; Q4-G7 WeakPolarHBondContact O-CA 3.37Å; Q4-G7 PolarHBondContact O-N 3.28Å; Q4-G7 VanDerWaalsContact O-N 3.13Å; Q4-C8 PolarHBondContact O-N 3.27Å; Q4-C8 PolarHBondContact O-SG 3.42Å
5F80.4Confident86.9Confident19 Ų1941 Ų418%0.08322%0.218CC..Hα-helixtrans-73.3-27.4179.665.2-113.5000112.9M1 I2 G7 C8 L9 F291 N294 L295M1-F5 PolarHBondContact O-N 3.3Å; I2-F5 VanDerWaalsContact CA-CE1 3.43Å; I2-F5 HydrophobicContact CB-CE1 4.12Å; I2-F5 HydrophobicContact CB-CZ 3.96Å; I2-F5 HydrophobicContact CG1-CE1 3.91Å; I2-F5 HydrophobicContact CG1-CZ 3.79Å; I2-F5 HydrophobicContact CG2-CE1 4.47Å; I2-F5 HydrophobicContact CG2-CE2 4.14Å; I2-F5 HydrophobicContact CG2-CZ 3.83Å; I2-F5 PolarHBondContact O-N 2.95Å; F5-G7 VanDerWaalsContact C-N 3.29Å; F5-C8 PolarHBondContact O-N 3.15Å; F5-L9 WeakPolarHBondContact O-CB 3.36Å; F5-L9 WeakPolarHBondContact O-CG 3.27Å; F5-L9 PolarHBondContact O-N 2.73Å; F5-F291 HydrophobicContact CD2-CD2 4.11Å; F5-F291 HydrophobicContact CD2-CE2 4.16Å; F5-F291 AromaticContact CE2-CD2 3.68Å; F5-F291 HydrophobicContact CE2-CD2 3.68Å; F5-F291 AromaticContact CE2-CE2 3.43Å; F5-F291 HydrophobicContact CE2-CE2 3.43Å; F5-F291 VanDerWaalsContact CE2-CE2 3.43Å; F5-F291 HydrophobicContact CE2-CG 4.33Å; F5-F291 AromaticContact CE2-CZ 3.89Å; F5-F291 HydrophobicContact CE2-CZ 3.89Å; F5-F291 HydrophobicContact CZ-CE2 4.39Å; F5-F291 HydrophobicContact CZ-CZ 4.47Å; F5-N294 HydrophobicContact CB-CB 4Å; F5-N294 HydrophobicContact CD1-CB 4.13Å; F5-N294 HydrophobicContact CD2-CB 3.77Å; F5-N294 HydrophobicContact CE1-CB 4.48Å; F5-N294 HydrophobicContact CE2-CB 4.19Å; F5-N294 HydrophobicContact CG-CB 3.74Å; F5-L295 HydrophobicContact CZ-CB 4.14Å; F5-L295 HydrophobicContact CZ-CD1 4.27Å
6T84.5Confident87.4Confident2 Ų238.9 Ų38.91%0.01221%0.207CC..Hα-helixtrans-58.4-43.8166.3-59.40000110.8I2 Q4 L9 K10 L11 I13 I275I2-T6 WeakPolarHBondContact O-CB 3.36Å; I2-T6 PolarHBondContact O-N 3.39Å; I2-T6 PolarHBondContact O-OG1 2.81Å; Q4-T6 VanDerWaalsContact C-N 3.34Å; Q4-T6 PolarHBondContact O-N 3.4Å; T6-L9 PolarHBondContact O-N 3.28Å; T6-K10 PolarHBondContact O-N 3.35Å; T6-K10 VanDerWaalsContact O-N 3.11Å; T6-L11 HydrophobicContact CG2-CB 3.78Å; T6-L11 PolarHBondContact O-N 3.27Å; T6-I13 HydrophobicContact CG2-CB 4.31Å; T6-I13 HydrophobicContact CG2-CD1 4.4Å; T6-I275 HydrophobicContact CG2-CD1 3.99Å; T6-I275 HydrophobicContact CG2-CG1 4.05Å; T6-I275 HydrophobicContact CG2-CG2 3.95Å; T6-I275 WeakPolarHBondContact OG1-CD1 3.44Å
7G84.4Confident87.8Confident26 Ų2640.9 Ų40.927%0.26822%0.218SC..Hα-helixtrans-62.9-45173.500000113.1L3 Q4 F5 L9 K10L3-G7 PolarHBondContact O-N 3.18Å; Q4-G7 WeakPolarHBondContact O-CA 3.37Å; Q4-G7 PolarHBondContact O-N 3.28Å; Q4-G7 VanDerWaalsContact O-N 3.13Å; F5-G7 VanDerWaalsContact C-N 3.29Å; G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 3.09Å; G7-K10 WeakPolarHBondContact O-CA 3.47Å; G7-K10 PolarHBondContact O-N 2.92Å
8C88.3Confident88.1Confident96 Ų9639.3 Ų39.365%0.64921%0.21SC*.Hα-helixtrans-59.9-36.6176-64.60000112.6Q4 F5 K10Q4-C8 PolarHBondContact O-N 3.27Å; Q4-C8 PolarHBondContact O-SG 3.42Å; F5-C8 PolarHBondContact O-N 3.15Å; C8-K10 VanDerWaalsContact C-N 3.26Å
9L92.9Very high88.5Confident32 Ų3244.4 Ų44.417%0.16823%0.232CC..THydrogen-bonded Turntrans-82-2.8175.8-65.1175.7000113.5F5 T6 G7 L11 K290 F291F5-L9 WeakPolarHBondContact O-CB 3.36Å; F5-L9 WeakPolarHBondContact O-CG 3.27Å; F5-L9 PolarHBondContact O-N 2.73Å; T6-L9 PolarHBondContact O-N 3.28Å; G7-L9 VanDerWaalsContact C-N 3.26Å; G7-L9 PolarHBondContact O-N 3.09Å; L9-L11 HydrophobicContact CB-CD1 3.77Å; L9-L11 HydrophobicContact CB-CG 3.84Å; L9-L11 HydrophobicContact CD1-CD1 3.89Å; L9-L11 PolarHBondContact O-N 3.2Å; L9-K290 HydrophobicContact CD1-CB 4.14Å; L9-K290 HydrophobicContact CD2-CB 3.74Å; L9-K290 HydrophobicContact CD2-CD 4.19Å; L9-F291 HydrophobicContact CD1-CB 4Å
10K94.3Very high89Confident121 Ų12144.8 Ų44.853%0.52623%0.233SC..THydrogen-bonded Turntrans50.144.4-175.8-60.1-179178.8178.80112.1T6 G7 C8 Y254T6-K10 PolarHBondContact O-N 3.35Å; T6-K10 VanDerWaalsContact O-N 3.11Å; G7-K10 WeakPolarHBondContact O-CA 3.47Å; G7-K10 PolarHBondContact O-N 2.92Å; C8-K10 VanDerWaalsContact C-N 3.26Å; K10-Y254 HydrophobicContact CB-CD1 3.8Å; K10-Y254 HydrophobicContact CB-CD2 4.46Å; K10-Y254 HydrophobicContact CB-CE1 4Å; K10-Y254 HydrophobicContact CB-CG 4.04Å; K10-Y254 HydrophobicContact CG-CD1 4.22Å; K10-Y254 HydrophobicContact CG-CE1 3.96Å; K10-Y254 VanDerWaalsContact O-CB 3.29Å; K10-Y254 WeakPolarHBondContact O-CB 3.13Å
11L96.5Very high89.4Confident1 Ų143.4 Ų43.41%0.00523%0.226CC..  trans-87.2137.5179.3-73.4167.1000110.5T6 L9 I13 Y254 I275 L277 Y287 F291T6-L11 HydrophobicContact CG2-CB 3.78Å; T6-L11 PolarHBondContact O-N 3.27Å; L9-L11 HydrophobicContact CB-CD1 3.77Å; L9-L11 HydrophobicContact CB-CG 3.84Å; L9-L11 HydrophobicContact CD1-CD1 3.89Å; L9-L11 PolarHBondContact O-N 3.2Å; L11-I13 PolarHBondContact O-N 3.14Å; L11-Y254 VanDerWaalsContact O-CD2 3.28Å; L11-Y254 WeakPolarHBondContact O-CD2 3.17Å; L11-I275 HydrophobicContact CB-CG2 4.08Å; L11-I275 HydrophobicContact CD1-CG2 4.32Å; L11-L277 HydrophobicContact CD1-CD2 3.71Å; L11-L277 HydrophobicContact CD2-CD2 4.33Å; L11-Y287 HydrophobicContact CD2-CD1 3.81Å; L11-Y287 HydrophobicContact CD2-CG 4.03Å; L11-F291 HydrophobicContact CD1-CB 4.24Å; L11-F291 HydrophobicContact CD1-CD2 3.77Å; L11-F291 HydrophobicContact CD1-CG 4.41Å
12P96.7Very high90.9Very high0 Ų045.7 Ų45.70%023%0.23CC..  trans-55.8140172.4-21.132.2000111Y14 F201 L250 K253 P276P12-Y14 HydrophobicContact CB-CE2 4.19Å; P12-F201 HydrophobicContact CG-CE2 4.11Å; P12-L250 HydrophobicContact CG-CD2 4.23Å; P12-K253 HydrophobicContact CB-CB 4.15Å; P12-K253 HydrophobicContact CG-CB 3.58Å; P12-P276 WeakPolarHBondContact O-CD 3.35Å
13I95Very high91.9Very high17 Ų1746.5 Ų46.59%0.08723%0.234CC..  trans-138.7124.3178.6-175.4168.6000110.4L3 T6 L11 S257 M258 Y273 I274 I275L3-I13 HydrophobicContact CD2-CD1 3.15Å; T6-I13 HydrophobicContact CG2-CB 4.31Å; T6-I13 HydrophobicContact CG2-CD1 4.4Å; L11-I13 PolarHBondContact O-N 3.14Å; I13-S257 PolarHBondContact N-OG 3.31Å; I13-S257 VanDerWaalsContact O-CB 3.31Å; I13-S257 WeakPolarHBondContact O-CB 3.39Å; I13-M258 HydrophobicContact CG2-CE 3.25Å; I13-Y273 HydrophobicContact CD1-CD1 3.63Å; I13-Y273 HydrophobicContact CD1-CE1 4.39Å; I13-Y273 HydrophobicContact CD1-CG 4.36Å; I13-Y273 HydrophobicContact CG1-CD1 3.99Å; I13-I274 WeakPolarHBondContact CA-O 3.27Å; I13-I275 HydrophobicContact CB-CG1 4.31Å; I13-I275 HydrophobicContact CD1-CD1 4.33Å; I13-I275 HydrophobicContact CD1-CG1 4.05Å; I13-I275 HydrophobicContact CG1-CG1 3.92Å
14Y95Very high92.8Very high7 Ų743.4 Ų43.43%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-118.1140.7-176.9-51.1-64.8000111P12 F195 N197 F201 Y273 I274 P276P12-Y14 HydrophobicContact CB-CE2 4.19Å; Y14-F195 HydrophobicContact CG-CZ 4.44Å; Y14-N197 HydrophobicContact CD1-CB 3.77Å; Y14-N197 HydrophobicContact CE1-CB 4.09Å; Y14-N197 HydrophobicContact CG-CB 4.05Å; Y14-F201 HydrophobicContact CE2-CB 4.27Å; Y14-F201 HydrophobicContact CE2-CD2 4.42Å; Y14-F201 HydrophobicContact CE2-CG 4.48Å; Y14-Y273 CarbonylContact O-C 3.57Å; Y14-Y273 WeakPolarHBondContact O-CA 3.45Å; Y14-I274 PolarHBondContact N-O 3.07Å; Y14-I274 PolarHBondContact O-N 3.39Å; Y14-P276 HydrophobicContact CD2-CG 4.11Å; Y14-P276 HydrophobicContact CE2-CG 3.77Å
15H93.3Very high93.6Very high16 Ų1644.4 Ų44.47%0.07422%0.22CC..EExtended strand (participates in β ladder)trans-87.3143168.5-61.2-73.9000110.5F195 Y261 F270 Y273H15-F195 WeakPolarHBondContact O-CE2 3.4Å; H15-F195 WeakPolarHBondContact O-CZ 3.25Å; H15-Y261 AromaticContact CD2-CD2 3.9Å; H15-Y261 AromaticContact CE1-CD2 3.79Å; H15-Y261 AromaticContact CE1-CE2 3.58Å; H15-Y261 AromaticContact NE2-CD2 2.92Å; H15-Y261 WeakPolarHBondContact NE2-CD2 3.41Å; H15-Y261 AromaticContact NE2-CE2 3.12Å; H15-Y261 WeakPolarHBondContact NE2-CE2 3.48Å; H15-F270 HydrophobicContact CB-CB 4.19Å; H15-F270 HydrophobicContact CB-CD1 3.48Å; H15-F270 VanDerWaalsContact CB-CD1 3.48Å; H15-F270 HydrophobicContact CB-CD2 4.16Å; H15-F270 HydrophobicContact CB-CE1 3.73Å; H15-F270 HydrophobicContact CB-CE2 4.37Å; H15-F270 HydrophobicContact CB-CG 3.69Å; H15-F270 HydrophobicContact CB-CZ 4.16Å; H15-F270 AromaticContact CD2-CD2 3.5Å; H15-F270 VanDerWaalsContact CD2-CD2 3.5Å; H15-F270 WeakPolarHBondContact CD2-CD2 3.32Å; H15-F270 AromaticContact CD2-CE2 3.52Å; H15-F270 AromaticContact CD2-CG 3.92Å; H15-F270 AromaticContact CD2-CZ 3.98Å; H15-F270 AromaticContact CE1-CD2 3.13Å; H15-F270 WeakPolarHBondContact CE1-CD2 3.45Å; H15-F270 AromaticContact CE1-CE2 3.91Å; H15-F270 AromaticContact CE1-CG 3.49Å; H15-F270 VanDerWaalsContact CE1-CG 3.49Å; H15-F270 WeakPolarHBondContact CE1-CG 3.35Å; H15-F270 AromaticContact CG-CD1 3.72Å; H15-F270 AromaticContact CG-CD2 3.46Å; H15-F270 VanDerWaalsContact CG-CD2 3.46Å; H15-F270 AromaticContact CG-CE2 3.83Å; H15-F270 AromaticContact CG-CG 3.38Å; H15-F270 WeakPolarHBondContact ND1-CB 3.42Å; H15-F270 AromaticContact ND1-CD1 3.93Å; H15-F270 AromaticContact ND1-CD2 3.33Å; H15-F270 VanDerWaalsContact ND1-CD2 3.33Å; H15-F270 WeakPolarHBondContact ND1-CD2 3.48Å; H15-F270 AromaticContact ND1-CG 3.17Å; H15-F270 WeakPolarHBondContact ND1-CG 3.39Å; H15-F270 AromaticContact NE2-CD2 3.27Å; H15-F270 VanDerWaalsContact NE2-CD2 3.27Å; H15-F270 WeakPolarHBondContact NE2-CD2 3.33Å; H15-F270 AromaticContact NE2-CE2 3.56Å; H15-F270 AromaticContact NE2-CG 3.96Å; H15-Y273 AromaticContact CE1-CD1 3.61Å; H15-Y273 AromaticContact CE1-CE1 2.94Å; H15-Y273 WeakPolarHBondContact CE1-CE1 3.23Å; H15-Y273 AromaticContact CE1-CZ 3.48Å; H15-Y273 VanDerWaalsContact CE1-CZ 3.48Å; H15-Y273 AromaticContact ND1-CD1 3.48Å; H15-Y273 WeakPolarHBondContact ND1-CD1 3.4Å; H15-Y273 AromaticContact ND1-CE1 3.23Å; H15-Y273 WeakPolarHBondContact ND1-CE1 3.46Å; H15-Y273 AromaticContact ND1-CZ 3.68Å
16I94.1Very high94.4Very high7 Ų745.5 Ų45.54%0.03623%0.229CC..  trans-142.9145.8179-169.7172.9000109Q20 I21 F192 F195 T272 I274I16-Q20 HydrophobicContact CD1-CB 3.97Å; I16-Q20 HydrophobicContact CG1-CB 3.92Å; I16-I21 HydrophobicContact CD1-CD1 4.28Å; I16-I21 HydrophobicContact CD1-CG1 3.8Å; I16-I21 HydrophobicContact CG1-CG1 4.5Å; I16-I21 HydrophobicContact CG2-CD1 3.88Å; I16-I21 HydrophobicContact CG2-CG1 4.43Å; I16-F192 HydrophobicContact CD1-CB 4.4Å; I16-F192 HydrophobicContact CD1-CD1 3.85Å; I16-F195 HydrophobicContact CB-CD2 4.49Å; I16-F195 HydrophobicContact CB-CE1 4.28Å; I16-F195 HydrophobicContact CB-CE2 4.03Å; I16-F195 HydrophobicContact CB-CZ 3.89Å; I16-F195 HydrophobicContact CD1-CB 4.28Å; I16-F195 HydrophobicContact CD1-CD1 3.73Å; I16-F195 HydrophobicContact CD1-CD2 4.21Å; I16-F195 HydrophobicContact CD1-CE1 4.04Å; I16-F195 HydrophobicContact CD1-CE2 4.49Å; I16-F195 HydrophobicContact CD1-CG 3.82Å; I16-F195 HydrophobicContact CD1-CZ 4.39Å; I16-F195 HydrophobicContact CG1-CD1 4.36Å; I16-F195 HydrophobicContact CG1-CD2 4.04Å; I16-F195 HydrophobicContact CG1-CE1 4.4Å; I16-F195 HydrophobicContact CG1-CE2 4.09Å; I16-F195 HydrophobicContact CG1-CG 4.18Å; I16-F195 HydrophobicContact CG1-CZ 4.24Å; I16-T272 HydrophobicContact CG2-CG2 3.63Å; I16-T272 PolarHBondContact N-O 3.02Å; I16-T272 WeakPolarHBondContact O-CB 3.42Å; I16-I274 HydrophobicContact CB-CD1 4.06Å; I16-I274 HydrophobicContact CD1-CD1 3.66Å; I16-I274 HydrophobicContact CG1-CD1 4.46Å; I16-I274 HydrophobicContact CG2-CD1 3.65Å; I16-I274 HydrophobicContact CG2-CG1 3.87Å
17N94.2Very high95Very high74 Ų7445.5 Ų45.540%0.39623%0.229SC..  trans-72.7130.5167.7-178.3-16000108.9E19 Q20N17-E19 PolarHBondContact O-N 3.18Å; N17-E19 PolarHBondContact OD1-N 3.19Å; N17-Q20 HydrophobicContact CB-CG 4.23Å; N17-Q20 WeakPolarHBondContact O-CB 3.37Å; N17-Q20 PolarHBondContact O-N 3.17Å
18S94.2Very high95.6Very high11 Ų1147.7 Ų47.78%0.07723%0.232CC..G310 helixtrans-45.5-34.3172.863.50000114.7Q20 I21 N473S18-Q20 PolarHBondContact O-N 2.7Å; S18-I21 PolarHBondContact O-N 3.15Å; S18-I21 VanDerWaalsContact O-N 3.08Å; S18-N473 VanDerWaalsContact CB-CG 3.47Å; S18-N473 VanDerWaalsContact OG-CG 3.29Å; S18-N473 PolarHBondContact OG-ND2 3.45Å; S18-N473 VanDerWaalsContact OG-ND2 3.12Å; S18-N473 PolarHBondContact OG-OD1 3.44Å
19E95.6Very high96.1Very high136 Ų13646 Ų4664%0.63622%0.216SC*.G310 helixtrans-69-18.5179.6-64.5178.1162.600113.5N17 I21 K475N17-E19 PolarHBondContact O-N 3.18Å; N17-E19 PolarHBondContact OD1-N 3.19Å; E19-I21 VanDerWaalsContact C-N 3.28Å; E19-K475 IonicContact OE1-NZ 3.96Å
20Q97.2Very high96.3Very high53 Ų5344.4 Ų44.425%0.24821%0.208CC..G310 helixtrans-81.4-8.8173.9-61.6178.5-91.600112.4I16 N17 S18 F192 K193 N194I16-Q20 HydrophobicContact CD1-CB 3.97Å; I16-Q20 HydrophobicContact CG1-CB 3.92Å; N17-Q20 HydrophobicContact CB-CG 4.23Å; N17-Q20 WeakPolarHBondContact O-CB 3.37Å; N17-Q20 PolarHBondContact O-N 3.17Å; S18-Q20 PolarHBondContact O-N 2.7Å; Q20-F192 CarbonylContact O-C 3.54Å; Q20-F192 WeakPolarHBondContact O-CA 3.45Å; Q20-K193 PolarHBondContact NE2-O 3.49Å; Q20-K193 PolarHBondContact O-N 2.97Å; Q20-N194 PolarHBondContact NE2-O 3.04Å
21I98.3Very high96.5Very high16 Ų1639.1 Ų39.18%0.08219%0.185CC..EExtended strand (participates in β ladder)trans-99.7126178.6-55.9-176.8000109.5I16 S18 E19 W190 I191 F192 T272 I469 L476I16-I21 HydrophobicContact CD1-CD1 4.28Å; I16-I21 HydrophobicContact CD1-CG1 3.8Å; I16-I21 HydrophobicContact CG1-CG1 4.5Å; I16-I21 HydrophobicContact CG2-CD1 3.88Å; I16-I21 HydrophobicContact CG2-CG1 4.43Å; S18-I21 PolarHBondContact O-N 3.15Å; S18-I21 VanDerWaalsContact O-N 3.08Å; E19-I21 VanDerWaalsContact C-N 3.28Å; I21-W190 HydrophobicContact CG2-CE3 3.71Å; I21-W190 HydrophobicContact CG2-CZ3 4.05Å; I21-I191 WeakPolarHBondContact CA-O 3.05Å; I21-F192 HydrophobicContact CD1-CD1 4.3Å; I21-F192 HydrophobicContact CD1-CE1 4.04Å; I21-F192 HydrophobicContact CG1-CD1 3.96Å; I21-F192 HydrophobicContact CG1-CE1 4.13Å; I21-F192 HydrophobicContact CG2-CE1 4.42Å; I21-T272 HydrophobicContact CD1-CG2 4Å; I21-I469 HydrophobicContact CD1-CG2 4.37Å; I21-L476 HydrophobicContact CB-CD1 4.17Å; I21-L476 HydrophobicContact CD1-CD2 3.78Å; I21-L476 HydrophobicContact CG2-CD1 4.02Å
22R98.2Very high96.6Very high130 Ų13044.7 Ų44.749%0.49121%0.211SC..EExtended strand (participates in β ladder)trans-124.9127.4171.8-175.6-178.7-178.9-176.46110L24 W190 I191R22-L24 HydrophobicContact CG-CD2 4.09Å; R22-W190 CarbonylContact O-C 3.57Å; R22-W190 WeakPolarHBondContact O-CA 3.42Å; R22-I191 HydrophobicContact CB-CB 4.28Å; R22-I191 PolarHBondContact N-O 3Å; R22-I191 PolarHBondContact O-N 3.38Å
23I98.3Very high96.7Very high31 Ų3145.2 Ų45.216%0.15922%0.215CC..EExtended strand (participates in β ladder)trans-98.8124.4175.3-54.5177000108.4W190 C479 L480 E483I23-W190 HydrophobicContact CD1-CD2 4.4Å; I23-W190 HydrophobicContact CD1-CH2 4.39Å; I23-W190 HydrophobicContact CD1-CZ2 3.86Å; I23-W190 HydrophobicContact CG1-CD2 3.98Å; I23-W190 HydrophobicContact CG1-CE3 4.48Å; I23-W190 HydrophobicContact CG1-CG 4.27Å; I23-W190 HydrophobicContact CG1-CZ2 4.34Å; I23-C479 HydrophobicContact CD1-CB 4.08Å; I23-L480 HydrophobicContact CD1-CD2 3.71Å; I23-E483 HydrophobicContact CD1-CB 4.4Å; I23-E483 HydrophobicContact CG2-CB 4.01Å; I23-E483 HydrophobicContact CG2-CG 3.78Å
24L98.1Very high96.9Very high11 Ų1144.4 Ų44.46%0.05821%0.211CC..EExtended strand (participates in β ladder)trans-93153.7175.4-49.3-176.1000110.4R22 D29 I189 I191R22-L24 HydrophobicContact CG-CD2 4.09Å; L24-D29 HydrophobicContact CB-CB 3.85Å; L24-D29 HydrophobicContact CD1-CB 3.97Å; L24-D29 HydrophobicContact CD2-CB 4.39Å; L24-D29 HydrophobicContact CG-CB 4.3Å; L24-I189 HydrophobicContact CB-CB 4.11Å; L24-I189 HydrophobicContact CB-CG2 4.3Å; L24-I189 HydrophobicContact CD1-CB 4.37Å; L24-I189 HydrophobicContact CD1-CG2 3.7Å; L24-I189 HydrophobicContact CG-CB 4.46Å; L24-I189 HydrophobicContact CG-CG2 4.12Å; L24-I189 PolarHBondContact N-O 3.25Å; L24-I191 HydrophobicContact CD1-CD1 3.96Å; L24-I191 HydrophobicContact CD1-CG1 4.25Å; L24-I191 HydrophobicContact CD2-CD1 3.87Å; L24-I191 HydrophobicContact CD2-CG1 4.43Å; L24-I191 HydrophobicContact CG-CD1 4.08Å; L24-I191 HydrophobicContact CG-CG1 4.22Å
25K95.9Very high97.1Very high126 Ų12645.5 Ų45.555%0.54822%0.217SC..  trans-102.8-38.8-174.1-64.1-179.9-178178.10112.2D29 Q186K25-D29 PolarHBondContact N-OD2 3.28Å; K25-Q186 PolarHBondContact O-NE2 2.96Å
26T96.6Very high97.3Very high42 Ų4248.6 Ų48.626%0.25823%0.234SC..SBendtrans-118.3156.7-167.370.30000113.6Q28 D29 L30T26-Q28 PolarHBondContact O-N 3.31Å; T26-D29 PolarHBondContact N-OD2 2.83Å; T26-D29 WeakPolarHBondContact O-CB 3.35Å; T26-D29 PolarHBondContact O-N 3.45Å; T26-D29 PolarHBondContact OG1-N 3.11Å; T26-D29 VanDerWaalsContact OG1-N 3.12Å; T26-D29 PolarHBondContact OG1-OD1 3.4Å; T26-D29 PolarHBondContact OG1-OD2 3.17Å; T26-L30 PolarHBondContact O-N 3.47Å
27P97.2Very high97.6Very high2 Ų249.3 Ų49.31%0.01324%0.237CC..Hα-helixtrans-54-36.8168.9-30.239.5000113.9L30 F31 Y181 F182 R185 W413P27-L30 WeakPolarHBondContact O-CB 3.49Å; P27-L30 PolarHBondContact O-N 2.97Å; P27-F31 PolarHBondContact O-N 2.92Å; P27-F31 VanDerWaalsContact O-N 3.11Å; P27-Y181 WeakPolarHBondContact CB-O 3.25Å; P27-F182 CarbonylContact C-O 3.53Å; P27-R185 WeakPolarHBondContact CG-O 3.45Å; P27-W413 HydrophobicContact CG-CH2 4.13Å; P27-W413 HydrophobicContact CG-CZ3 3.86Å
28Q97.9Very high97.8Very high72 Ų7245.8 Ų45.834%0.33622%0.218SC..Hα-helixtrans-67.5-39.9178.3-67.576.95.800111.2T26 L30 F31 H32 F182 T183T26-Q28 PolarHBondContact O-N 3.31Å; Q28-L30 VanDerWaalsContact C-N 3.26Å; Q28-L30 PolarHBondContact O-N 3.44Å; Q28-F31 PolarHBondContact O-N 3.35Å; Q28-H32 PolarHBondContact O-N 3.48Å; Q28-H32 PolarHBondContact O-ND1 3.35Å; Q28-F182 PolarHBondContact N-O 3.13Å; Q28-T183 PolarHBondContact NE2-O 3.04Å
29D98.2Very high98Very high60 Ų6050.6 Ų50.632%0.32124%0.24SC..Hα-helixtrans-59.1-40.2174.2-61.8-42000111.1L24 K25 T26 S33L24-D29 HydrophobicContact CB-CB 3.85Å; L24-D29 HydrophobicContact CD1-CB 3.97Å; L24-D29 HydrophobicContact CD2-CB 4.39Å; L24-D29 HydrophobicContact CG-CB 4.3Å; K25-D29 PolarHBondContact N-OD2 3.28Å; T26-D29 PolarHBondContact N-OD2 2.83Å; T26-D29 WeakPolarHBondContact O-CB 3.35Å; T26-D29 PolarHBondContact O-N 3.45Å; T26-D29 PolarHBondContact OG1-N 3.11Å; T26-D29 VanDerWaalsContact OG1-N 3.12Å; T26-D29 PolarHBondContact OG1-OD1 3.4Å; T26-D29 PolarHBondContact OG1-OD2 3.17Å; D29-S33 WeakPolarHBondContact O-CB 3.46Å; D29-S33 PolarHBondContact O-N 2.93Å
30L98.5Very high98.1Very high0 Ų048.8 Ų48.80%023%0.234CC..Hα-helixtrans-60.7-50.3174.7168.465000110.8T26 P27 Q28 S33 L34 I171 A175 F182 I189T26-L30 PolarHBondContact O-N 3.47Å; P27-L30 WeakPolarHBondContact O-CB 3.49Å; P27-L30 PolarHBondContact O-N 2.97Å; Q28-L30 VanDerWaalsContact C-N 3.26Å; Q28-L30 PolarHBondContact O-N 3.44Å; L30-S33 PolarHBondContact O-N 2.93Å; L30-L34 HydrophobicContact CD1-CD1 3.92Å; L30-L34 HydrophobicContact CD1-CD2 4.5Å; L30-L34 HydrophobicContact CD1-CG 3.99Å; L30-L34 HydrophobicContact CG-CD1 4.03Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.43Å; L30-L34 PolarHBondContact O-N 2.62Å; L30-I171 HydrophobicContact CD1-CG2 4.13Å; L30-A175 HydrophobicContact CD2-CB 3.78Å; L30-F182 HydrophobicContact CD2-CD1 4.41Å; L30-F182 HydrophobicContact CD2-CE1 4.39Å; L30-I189 HydrophobicContact CB-CD1 3.91Å; L30-I189 HydrophobicContact CB-CG1 4.07Å; L30-I189 HydrophobicContact CB-CG2 4.42Å; L30-I189 HydrophobicContact CD1-CG1 4.32Å; L30-I189 HydrophobicContact CD1-CG2 3.84Å; L30-I189 HydrophobicContact CD2-CD1 4.46Å; L30-I189 HydrophobicContact CD2-CG1 4.19Å; L30-I189 HydrophobicContact CG-CG1 4.42Å
31F98.6Very high98.1Very high10 Ų1046.3 Ų46.34%0.04422%0.223CC..Hα-helixtrans-61.1-50.7-178-175.8-112.5000112P27 Q28 S33 L34 L35 L57 E60 L61 F182P27-F31 PolarHBondContact O-N 2.92Å; P27-F31 VanDerWaalsContact O-N 3.11Å; Q28-F31 PolarHBondContact O-N 3.35Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-S33 PolarHBondContact O-N 3.34Å; F31-L34 WeakPolarHBondContact O-CB 3Å; F31-L34 PolarHBondContact O-N 3.39Å; F31-L34 VanDerWaalsContact O-N 3.16Å; F31-L35 HydrophobicContact CD1-CD1 4.21Å; F31-L35 HydrophobicContact CE1-CD1 3.64Å; F31-L35 HydrophobicContact CE1-CG 4.41Å; F31-L35 HydrophobicContact CZ-CD1 3.82Å; F31-L35 HydrophobicContact CZ-CD2 4.42Å; F31-L35 HydrophobicContact CZ-CG 4.29Å; F31-L35 PolarHBondContact O-N 3.4Å; F31-L35 VanDerWaalsContact O-N 3.13Å; F31-L57 HydrophobicContact CD1-CD2 4.38Å; F31-L57 HydrophobicContact CE1-CD2 3.76Å; F31-L57 HydrophobicContact CE2-CB 3.92Å; F31-L57 WeakPolarHBondContact CE2-O 3.3Å; F31-L57 HydrophobicContact CZ-CB 3.96Å; F31-L57 HydrophobicContact CZ-CD2 3.84Å; F31-L57 HydrophobicContact CZ-CG 4.47Å; F31-E60 HydrophobicContact CZ-CB 4.16Å; F31-E60 HydrophobicContact CZ-CG 4.14Å; F31-L61 HydrophobicContact CE2-CB 4.48Å; F31-F182 HydrophobicContact CB-CB 3.99Å; F31-F182 HydrophobicContact CB-CD1 3.91Å; F31-F182 HydrophobicContact CB-CG 4Å; F31-F182 HydrophobicContact CD2-CB 4.26Å; F31-F182 AromaticContact CD2-CD1 3.91Å; F31-F182 HydrophobicContact CD2-CD1 3.91Å; F31-F182 AromaticContact CD2-CD2 3.61Å; F31-F182 HydrophobicContact CD2-CD2 3.61Å; F31-F182 HydrophobicContact CD2-CE1 4.1Å; F31-F182 AromaticContact CD2-CE2 3.78Å; F31-F182 HydrophobicContact CD2-CE2 3.78Å; F31-F182 AromaticContact CD2-CG 3.67Å; F31-F182 HydrophobicContact CD2-CG 3.67Å; F31-F182 HydrophobicContact CD2-CZ 4.03Å; F31-F182 HydrophobicContact CE2-CD2 4.04Å; F31-F182 HydrophobicContact CE2-CE2 4.05Å; F31-F182 HydrophobicContact CG-CB 4.24Å; F31-F182 HydrophobicContact CG-CD1 4.34Å; F31-F182 HydrophobicContact CG-CD2 4.4Å; F31-F182 HydrophobicContact CG-CG 4.1Å
32H98.5Very high98.1Very high117 Ų11750.2 Ų50.254%0.54224%0.244SC..Hα-helixtrans-60.9-40.8176.7-62.8145.2000112Q28 L34 L35 D36Q28-H32 PolarHBondContact O-N 3.48Å; Q28-H32 PolarHBondContact O-ND1 3.35Å; H32-L34 VanDerWaalsContact C-N 3.33Å; H32-L34 PolarHBondContact O-N 3.5Å; H32-L35 PolarHBondContact O-N 3.34Å; H32-D36 WeakPolarHBondContact O-CB 3.22Å; H32-D36 PolarHBondContact O-N 3.48Å
33S98.5Very high98.1Very high11 Ų1151.4 Ų51.48%0.07725%0.253CS..Hα-helixtrans-64.2-37.7177-174.10000112.1D29 L30 F31 H37 I191D29-S33 WeakPolarHBondContact O-CB 3.46Å; D29-S33 PolarHBondContact O-N 2.93Å; L30-S33 PolarHBondContact O-N 2.93Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-S33 PolarHBondContact O-N 3.34Å; S33-H37 WeakPolarHBondContact O-CB 3.36Å; S33-H37 PolarHBondContact O-N 3.18Å; S33-H37 PolarHBondContact O-ND1 2.97Å; S33-H37 PolarHBondContact OG-CE1 2.92Å; S33-H37 VanDerWaalsContact OG-CE1 3.26Å; S33-H37 PolarHBondContact OG-ND1 3.5Å; S33-I191 WeakPolarHBondContact OG-CD1 3.37Å
34L98.8Very high98.1Very high1 Ų152.1 Ų52.11%0.00525%0.253CS..Hα-helixtrans-61.9-47.7175.4-73.5165.6000110.6L30 F31 H32 H37 I38 L61 Y164 F166 I171 L177 F182L30-L34 HydrophobicContact CD1-CD1 3.92Å; L30-L34 HydrophobicContact CD1-CD2 4.5Å; L30-L34 HydrophobicContact CD1-CG 3.99Å; L30-L34 HydrophobicContact CG-CD1 4.03Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.43Å; L30-L34 PolarHBondContact O-N 2.62Å; F31-L34 WeakPolarHBondContact O-CB 3Å; F31-L34 PolarHBondContact O-N 3.39Å; F31-L34 VanDerWaalsContact O-N 3.16Å; H32-L34 VanDerWaalsContact C-N 3.33Å; H32-L34 PolarHBondContact O-N 3.5Å; L34-H37 PolarHBondContact O-N 3.01Å; L34-I38 WeakPolarHBondContact O-CB 3.08Å; L34-I38 WeakPolarHBondContact O-CD1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.33Å; L34-I38 PolarHBondContact O-N 3.34Å; L34-L61 HydrophobicContact CB-CD1 4.14Å; L34-Y164 HydrophobicContact CD2-CD2 4.16Å; L34-Y164 HydrophobicContact CD2-CG 4.09Å; L34-F166 HydrophobicContact CD2-CE2 4.17Å; L34-F166 HydrophobicContact CD2-CZ 3.73Å; L34-I171 HydrophobicContact CD2-CD1 4.16Å; L34-L177 HydrophobicContact CD1-CD2 3.54Å; L34-L177 HydrophobicContact CD2-CD2 4.44Å; L34-F182 HydrophobicContact CD1-CE1 3.75Å; L34-F182 HydrophobicContact CD1-CZ 4.19Å
35L98.8Very high98.2Very high29 Ų2951.6 Ų51.615%0.15225%0.25CS..Hα-helixtrans-61.4-47.7178.9-63.9-179000111.9F31 H32 H37 I38 E39 E60 L61 A64F31-L35 HydrophobicContact CD1-CD1 4.21Å; F31-L35 HydrophobicContact CE1-CD1 3.64Å; F31-L35 HydrophobicContact CE1-CG 4.41Å; F31-L35 HydrophobicContact CZ-CD1 3.82Å; F31-L35 HydrophobicContact CZ-CD2 4.42Å; F31-L35 HydrophobicContact CZ-CG 4.29Å; F31-L35 PolarHBondContact O-N 3.4Å; F31-L35 VanDerWaalsContact O-N 3.13Å; H32-L35 PolarHBondContact O-N 3.34Å; L35-H37 VanDerWaalsContact C-N 3.35Å; L35-H37 PolarHBondContact O-N 2.84Å; L35-I38 PolarHBondContact O-N 2.94Å; L35-E39 WeakPolarHBondContact O-CB 3.23Å; L35-E39 PolarHBondContact O-N 2.87Å; L35-E60 HydrophobicContact CD1-CG 4.27Å; L35-E60 WeakPolarHBondContact CD1-OE1 3.5Å; L35-E60 HydrophobicContact CD2-CG 4.41Å; L35-L61 HydrophobicContact CD2-CD1 4.34Å; L35-A64 HydrophobicContact CD2-CB 3.91Å
36D98.6Very high98.3Very high81 Ų8145.6 Ų45.643%0.43323%0.225SC..Hα-helixtrans-58.1-44.2177.6178.255000111.9H32 E39 N40H32-D36 WeakPolarHBondContact O-CB 3.22Å; H32-D36 PolarHBondContact O-N 3.48Å; D36-E39 PolarHBondContact O-N 3.26Å; D36-N40 WeakPolarHBondContact O-CB 3.33Å; D36-N40 PolarHBondContact O-N 3.13Å; D36-N40 VanDerWaalsContact O-N 3.12Å; D36-N40 PolarHBondContact O-ND2 3.48Å; D36-N40 PolarHBondContact OD1-ND2 3.09Å
37H98.7Very high98.4Very high22 Ų2243.6 Ų43.610%0.10221%0.212CC..Hα-helixtrans-72.3-30.9178.7-71.567.4000112.8S33 L34 L35 A41 F166S33-H37 WeakPolarHBondContact O-CB 3.36Å; S33-H37 PolarHBondContact O-N 3.18Å; S33-H37 PolarHBondContact O-ND1 2.97Å; S33-H37 PolarHBondContact OG-CE1 2.92Å; S33-H37 VanDerWaalsContact OG-CE1 3.26Å; S33-H37 PolarHBondContact OG-ND1 3.5Å; L34-H37 PolarHBondContact O-N 3.01Å; L35-H37 VanDerWaalsContact C-N 3.35Å; L35-H37 PolarHBondContact O-N 2.84Å; H37-A41 VanDerWaalsContact O-CB 3.3Å; H37-A41 WeakPolarHBondContact O-CB 3.38Å; H37-A41 PolarHBondContact O-N 3.45Å; H37-F166 HydrophobicContact CB-CB 3.86Å; H37-F166 HydrophobicContact CB-CD1 3.76Å; H37-F166 HydrophobicContact CB-CD2 3.53Å; H37-F166 HydrophobicContact CB-CE1 4.22Å; H37-F166 HydrophobicContact CB-CE2 3.96Å; H37-F166 HydrophobicContact CB-CG 3.42Å; H37-F166 VanDerWaalsContact CB-CG 3.42Å; H37-F166 HydrophobicContact CB-CZ 4.29Å
38I98.8Very high98.5Very high0 Ų043.5 Ų43.50%021%0.212CC..Hα-helixtrans-68.1-42173.9-70.2163.4000110.7L34 L35 N40 I45 L61 A64 L65 A68 R72 F166L34-I38 WeakPolarHBondContact O-CB 3.08Å; L34-I38 WeakPolarHBondContact O-CD1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.33Å; L34-I38 PolarHBondContact O-N 3.34Å; L35-I38 PolarHBondContact O-N 2.94Å; I38-N40 VanDerWaalsContact C-N 3.29Å; I38-N40 PolarHBondContact O-N 3.17Å; I38-I45 HydrophobicContact CB-CD1 4.46Å; I38-I45 HydrophobicContact CG1-CD1 4.37Å; I38-I45 HydrophobicContact CG2-CD1 4.1Å; I38-L61 HydrophobicContact CD1-CD1 3.38Å; I38-L61 HydrophobicContact CD1-CG 4.45Å; I38-A64 HydrophobicContact CB-CB 4.46Å; I38-A64 VanDerWaalsContact CG2-C 3.45Å; I38-A64 HydrophobicContact CG2-CB 3.79Å; I38-A64 WeakPolarHBondContact CG2-O 3.36Å; I38-L65 HydrophobicContact CD1-CD2 3.67Å; I38-L65 HydrophobicContact CD1-CG 4.02Å; I38-L65 HydrophobicContact CG1-CD2 3.86Å; I38-L65 HydrophobicContact CG2-CD2 4.16Å; I38-A68 HydrophobicContact CG2-CB 4.04Å; I38-R72 PolarHBondContact O-NH2 3.5Å; I38-F166 HydrophobicContact CD1-CE1 4.34Å; I38-F166 HydrophobicContact CG1-CD1 4.12Å; I38-F166 HydrophobicContact CG1-CE1 3.48Å; I38-F166 VanDerWaalsContact CG1-CE1 3.48Å; I38-F166 HydrophobicContact CG1-CZ 4.37Å
39E98.3Very high98.5Very high113 Ų11340.1 Ų40.153%0.52820%0.196SC..Hα-helixtrans-62.6-38.8178.5-175159.2-146.100111.6L35 D36 R72L35-E39 WeakPolarHBondContact O-CB 3.23Å; L35-E39 PolarHBondContact O-N 2.87Å; D36-E39 PolarHBondContact O-N 3.26Å; E39-R72 PolarHBondContact O-NE 3.05Å; E39-R72 PolarHBondContact O-NH2 3.01Å
40N98.1Very high98.4Very high97 Ų9737.9 Ų37.952%0.51918%0.184SC..Hα-helixtrans-89.8-11.5-177.6-68.9-60.6000115.2D36 I38 N42D36-N40 WeakPolarHBondContact O-CB 3.33Å; D36-N40 PolarHBondContact O-N 3.13Å; D36-N40 VanDerWaalsContact O-N 3.12Å; D36-N40 PolarHBondContact O-ND2 3.48Å; D36-N40 PolarHBondContact OD1-ND2 3.09Å; I38-N40 VanDerWaalsContact C-N 3.29Å; I38-N40 PolarHBondContact O-N 3.17Å; N40-N42 PolarHBondContact O-ND2 3.13Å
41A98.3Very high98.2Very high2 Ų238.4 Ų38.42%0.01719%0.186CC..  trans-71.4136.4178.500000112H37 I45 R72 V74 F166 D167H37-A41 VanDerWaalsContact O-CB 3.3Å; H37-A41 WeakPolarHBondContact O-CB 3.38Å; H37-A41 PolarHBondContact O-N 3.45Å; A41-I45 HydrophobicContact CB-CD1 3.97Å; A41-I45 HydrophobicContact CB-CG1 3.67Å; A41-R72 PolarHBondContact O-NE 3.5Å; A41-V74 WeakPolarHBondContact O-CG2 3.32Å; A41-F166 HydrophobicContact CB-CB 4.36Å; A41-D167 WeakPolarHBondContact CA-OD2 3.41Å
42N98Very high98Very high97 Ų9738 Ų3852%0.51918%0.184SC..SBendtrans-123.4-18-174.5-70.9-71.2000114.5N40 R72 D167N40-N42 PolarHBondContact O-ND2 3.13Å; N42-R72 WeakPolarHBondContact OD1-CD 3.32Å; N42-D167 PolarHBondContact N-OD2 3.38Å
43K98.2Very high97.7Very high156 Ų15632.4 Ų32.468%0.67816%0.158SC*.SBendtrans-119-53.6-176-56.9176.3-177.8171.90112.4K75 D167K43-K75 PolarHBondContact O-N 2.96Å; K43-D167 VanDerWaalsContact CA-OD1 3.29Å; K43-D167 WeakPolarHBondContact CA-OD1 3.12Å; K43-D167 VanDerWaalsContact CB-OD1 3.27Å; K43-D167 WeakPolarHBondContact CB-OD1 3.47Å; K43-D167 PolarHBondContact N-OD1 3.06Å
44R98.5Very high97.5Very high45 Ų4533 Ų3317%0.1716%0.161CC..EExtended strand (participates in β ladder)trans-143.8142.7-176.564.3178.1178.6-155.7-11.2112.7K75 D167 D168 N200 S203R44-K75 CarbonylContact C-O 3.55Å; R44-K75 WeakPolarHBondContact CA-O 3.47Å; R44-D167 PolarHBondContact N-OD1 3.11Å; R44-D167 PolarHBondContact NE-O 3.33Å; R44-D167 PolarHBondContact NH2-O 3.01Å; R44-D167 PolarHBondContact O-N 2.95Å; R44-D168 IonicContact NH2-OD1 3.28Å; R44-D168 PolarHBondContact NH2-OD1 3.21Å; R44-N200 VanDerWaalsContact CZ-OD1 3.31Å; R44-N200 PolarHBondContact NH1-OD1 3.24Å; R44-N200 PolarHBondContact NH2-OD1 2.77Å; R44-S203 PolarHBondContact NH1-OG 2.91Å
45I98.9Very high97Very high0 Ų033.7 Ų33.70%017%0.169CC..EExtended strand (participates in β ladder)trans-124.6125.4164.4-65.3163.8000107.2I38 A41 L47 L65 A68 V74 K75 L76 T77 I165 F166I38-I45 HydrophobicContact CB-CD1 4.46Å; I38-I45 HydrophobicContact CG1-CD1 4.37Å; I38-I45 HydrophobicContact CG2-CD1 4.1Å; A41-I45 HydrophobicContact CB-CD1 3.97Å; A41-I45 HydrophobicContact CB-CG1 3.67Å; I45-L47 HydrophobicContact CG2-CD2 3.9Å; I45-L47 HydrophobicContact CG2-CG 4.04Å; I45-L65 HydrophobicContact CD1-CD2 4.14Å; I45-L65 HydrophobicContact CG2-CD2 3.83Å; I45-A68 HydrophobicContact CD1-CB 3.86Å; I45-V74 HydrophobicContact CB-CG1 4.17Å; I45-V74 HydrophobicContact CD1-CG1 3.73Å; I45-V74 HydrophobicContact CG1-CG1 3.64Å; I45-K75 PolarHBondContact N-O 3.46Å; I45-L76 HydrophobicContact CB-CD1 3.87Å; I45-L76 HydrophobicContact CG2-CD1 3.65Å; I45-L76 CarbonylContact O-C 3.58Å; I45-L76 WeakPolarHBondContact O-CA 3.35Å; I45-T77 PolarHBondContact O-N 3.13Å; I45-I165 CarbonylContact C-O 3.51Å; I45-I165 VanDerWaalsContact CA-O 3.31Å; I45-I165 WeakPolarHBondContact CA-O 3.23Å; I45-F166 HydrophobicContact CG1-CD1 4.01Å; I45-F166 HydrophobicContact CG2-CD1 4.05Å; I45-F166 HydrophobicContact CG2-CE1 3.84Å
46I98.9Very high96.8Very high1 Ų136.5 Ų36.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-126.9116.8175.7-50.6173000108.6T77 Y164 I165 I206I46-T77 CarbonylContact C-O 3.53Å; I46-T77 VanDerWaalsContact CA-O 3.23Å; I46-T77 WeakPolarHBondContact CA-O 3.35Å; I46-T77 HydrophobicContact CG2-CG2 4.3Å; I46-Y164 CarbonylContact O-C 3.54Å; I46-Y164 WeakPolarHBondContact O-CA 3.36Å; I46-I165 HydrophobicContact CB-CB 4.1Å; I46-I165 HydrophobicContact CB-CD1 3.93Å; I46-I165 HydrophobicContact CG2-CD1 4.16Å; I46-I165 PolarHBondContact N-O 2.92Å; I46-I165 PolarHBondContact O-N 3.01Å; I46-I206 HydrophobicContact CG2-CD1 3.52Å; I46-I206 HydrophobicContact CG2-CG2 4.28Å
47L98.9Very high96.7Very high0 Ų034.3 Ų34.30%018%0.179CC..EExtended strand (participates in β ladder)trans-109.7108.2178.1-52.8-177.5000109.7I45 L65 T77 I78 L79 Y164 F166 L177I45-L47 HydrophobicContact CG2-CD2 3.9Å; I45-L47 HydrophobicContact CG2-CG 4.04Å; L47-L65 HydrophobicContact CD1-CD1 3.74Å; L47-L65 HydrophobicContact CD1-CD2 4.13Å; L47-T77 PolarHBondContact N-O 2.67Å; L47-I78 HydrophobicContact CB-CG1 4.38Å; L47-I78 HydrophobicContact CD1-CG1 4.44Å; L47-I78 CarbonylContact O-C 3.55Å; L47-I78 WeakPolarHBondContact O-CA 3.4Å; L47-L79 PolarHBondContact O-N 3.18Å; L47-Y164 HydrophobicContact CB-CD1 4.1Å; L47-Y164 HydrophobicContact CD2-CD1 3.82Å; L47-Y164 HydrophobicContact CD2-CG 4.32Å; L47-F166 HydrophobicContact CD2-CE1 4.02Å; L47-F166 HydrophobicContact CD2-CZ 3.81Å; L47-L177 HydrophobicContact CB-CD1 4.39Å; L47-L177 HydrophobicContact CD1-CD1 4.05Å
48S98.7Very high96.6Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-96.9123.8166.5-172.50000108.9L79 Q159 I161 K162 A163 Y164S48-L79 WeakPolarHBondContact CA-O 3.21Å; S48-Q159 PolarHBondContact OG-NE2 3.06Å; S48-I161 CarbonylContact C-O 3.56Å; S48-I161 PolarHBondContact OG-O 3.42Å; S48-K162 VanDerWaalsContact O-CA 3.26Å; S48-K162 WeakPolarHBondContact O-CA 3.44Å; S48-A163 WeakPolarHBondContact CB-O 3.45Å; S48-A163 PolarHBondContact N-O 3.25Å; S48-A163 PolarHBondContact O-N 3.23Å; S48-Y164 WeakPolarHBondContact O-CE1 3.22Å
49T98.1Very high96.4Very high0 Ų037.4 Ų37.40%020%0.197CC..  trans-152.1161.9179.2178.50000109.7Y51 I52 L79 M80 Q159 N176 L177T49-Y51 VanDerWaalsContact CG2-O 3.32Å; T49-Y51 WeakPolarHBondContact CG2-O 3.44Å; T49-Y51 PolarHBondContact OG1-N 3.25Å; T49-Y51 PolarHBondContact OG1-O 2.9Å; T49-I52 HydrophobicContact CG2-CD1 4.43Å; T49-I52 HydrophobicContact CG2-CG1 3.78Å; T49-L79 PolarHBondContact N-O 3.03Å; T49-L79 VanDerWaalsContact O-O 3.1Å; T49-M80 HydrophobicContact CG2-CG 3.97Å; T49-M80 VanDerWaalsContact O-CA 3.29Å; T49-M80 WeakPolarHBondContact O-CA 3.43Å; T49-Q159 PolarHBondContact O-OE1 3.21Å; T49-N176 PolarHBondContact OG1-OD1 3.01Å; T49-L177 HydrophobicContact CG2-CD1 4.12Å; T49-L177 HydrophobicContact CG2-CG 4.38Å
50L95.5Very high96.4Very high13 Ų1336.3 Ų36.37%0.06819%0.191CC..SBendtrans-66.2-42.2172.7-175.363.4000111.4D81 R84 V158 Q159 N176L50-D81 HydrophobicContact CD1-CB 3.65Å; L50-D81 PolarHBondContact O-N 3.01Å; L50-R84 HydrophobicContact CD1-CB 4.26Å; L50-R84 HydrophobicContact CD1-CG 3.73Å; L50-R84 HydrophobicContact CD2-CG 3.99Å; L50-R84 HydrophobicContact CG-CB 3.99Å; L50-R84 HydrophobicContact CG-CG 3.68Å; L50-V158 HydrophobicContact CD1-CB 3.83Å; L50-V158 HydrophobicContact CD1-CG1 4.36Å; L50-V158 HydrophobicContact CD1-CG2 3.78Å; L50-Q159 WeakPolarHBondContact CD1-O 2.99Å; L50-N176 WeakPolarHBondContact CB-OD1 3.42Å; L50-N176 PolarHBondContact N-OD1 3.25Å; L50-N176 VanDerWaalsContact N-OD1 3.15Å
51Y94.4Very high96.5Very high12 Ų1231.7 Ų31.75%0.04717%0.167CC..  trans-159.4167.8179.468.2-84.6000110.2T49 N176 S178T49-Y51 VanDerWaalsContact CG2-O 3.32Å; T49-Y51 WeakPolarHBondContact CG2-O 3.44Å; T49-Y51 PolarHBondContact OG1-N 3.25Å; T49-Y51 PolarHBondContact OG1-O 2.9Å; Y51-N176 HydrophobicContact CD1-CB 4.35Å; Y51-N176 HydrophobicContact CE1-CB 3.95Å; Y51-S178 PolarHBondContact OH-OG 3.39Å; Y51-S178 VanDerWaalsContact OH-OG 3.06Å
52I95.7Very high96.5Very high0 Ų032.4 Ų32.40%017%0.171CC..BIsolated β-bridgetrans-116134.3167.4-54.5-169.1000108.2T49 E58 I78 M80 S117 L121 L177T49-I52 HydrophobicContact CG2-CD1 4.43Å; T49-I52 HydrophobicContact CG2-CG1 3.78Å; I52-E58 HydrophobicContact CG2-CB 4.2Å; I52-E58 HydrophobicContact CG2-CG 4.21Å; I52-I78 HydrophobicContact CD1-CD1 4.37Å; I52-I78 HydrophobicContact CD1-CG2 4.02Å; I52-M80 HydrophobicContact CB-SD 4.41Å; I52-M80 HydrophobicContact CG1-SD 3.91Å; I52-S117 PolarHBondContact N-OG 2.75Å; I52-S117 VanDerWaalsContact O-CB 3.3Å; I52-S117 WeakPolarHBondContact O-CB 3.42Å; I52-S117 PolarHBondContact O-OG 3Å; I52-L121 HydrophobicContact CB-CD1 4.33Å; I52-L121 HydrophobicContact CD1-CD1 3.88Å; I52-L121 HydrophobicContact CD1-CD2 4.31Å; I52-L121 HydrophobicContact CG1-CD1 4.26Å; I52-L177 CarbonylContact C-O 3.54Å; I52-L177 VanDerWaalsContact CA-O 3.31Å; I52-L177 WeakPolarHBondContact CA-O 3.47Å; I52-L177 HydrophobicContact CB-CB 4.49Å; I52-L177 HydrophobicContact CD1-CD1 3.97Å; I52-L177 HydrophobicContact CG1-CB 4.11Å; I52-L177 HydrophobicContact CG1-CD1 4.14Å; I52-L177 HydrophobicContact CG2-CB 4.26Å
53G92.2Very high96.5Very high0 Ų031.5 Ų31.50%017%0.169CC..  trans-65.6-178171.500000112.2E58 F120 L177G53-E58 VanDerWaalsContact C-CG 3.49Å; G53-E58 WeakPolarHBondContact CA-OE1 3.36Å; G53-E58 WeakPolarHBondContact O-CB 3.42Å; G53-F120 WeakPolarHBondContact O-CD1 3.47Å; G53-F120 WeakPolarHBondContact O-CE1 3.43Å; G53-L177 PolarHBondContact N-O 3.49Å
54T92.5Very high96.5Very high23 Ų2325.2 Ų25.214%0.14115%0.146CC..  trans-136.727.1-175.471.80000111.5C89 T92 F120T54-C89 HydrophobicContact CG2-CB 4.2Å; T54-T92 VanDerWaalsContact C-CG2 3.48Å; T54-T92 WeakPolarHBondContact OG1-CG2 3.46Å; T54-T92 PolarHBondContact OG1-OG1 2.77Å; T54-F120 HydrophobicContact CG2-CB 3.59Å; T54-F120 HydrophobicContact CG2-CD1 4.06Å; T54-F120 HydrophobicContact CG2-CD2 4.48Å; T54-F120 HydrophobicContact CG2-CG 3.82Å
55G90.1Very high96.5Very high16 Ų1623 Ų2317%0.16514%0.138CC..SBendtrans-93.6-166.6179.600000111.6E58 N59 T92G55-E58 WeakPolarHBondContact CA-OE2 3.29Å; G55-E58 PolarHBondContact N-OE2 2.94Å; G55-E58 PolarHBondContact O-N 3.48Å; G55-N59 WeakPolarHBondContact O-CB 3.4Å; G55-N59 PolarHBondContact O-N 3.36Å; G55-T92 VanDerWaalsContact N-CG2 3.28Å
56S93.9Very high96.5Very high89 Ų8924.5 Ų24.562%0.62215%0.146SC*.Hα-helixtrans-63.8-46.4-17751.40000113E58 N59 E60S56-E58 VanDerWaalsContact C-N 3.34Å; S56-E58 PolarHBondContact O-N 3.46Å; S56-N59 WeakPolarHBondContact O-CB 3.31Å; S56-N59 PolarHBondContact O-N 3.06Å; S56-E60 PolarHBondContact O-N 2.92Å
57L95.8Very high96.4Very high34 Ų3428.7 Ų28.718%0.17817%0.165CC..Hα-helixtrans-66.3-36.5180-62.1178.1000111.7F31 N59 E60 L61 F182 T183F31-L57 HydrophobicContact CD1-CD2 4.38Å; F31-L57 HydrophobicContact CE1-CD2 3.76Å; F31-L57 HydrophobicContact CE2-CB 3.92Å; F31-L57 WeakPolarHBondContact CE2-O 3.3Å; F31-L57 HydrophobicContact CZ-CB 3.96Å; F31-L57 HydrophobicContact CZ-CD2 3.84Å; F31-L57 HydrophobicContact CZ-CG 4.47Å; L57-N59 VanDerWaalsContact C-N 3.34Å; L57-E60 PolarHBondContact O-N 3.22Å; L57-L61 PolarHBondContact O-N 3.44Å; L57-F182 HydrophobicContact CB-CD2 3.79Å; L57-F182 HydrophobicContact CB-CE2 4.39Å; L57-F182 HydrophobicContact CD1-CB 3.7Å; L57-F182 HydrophobicContact CD1-CD2 4.12Å; L57-F182 HydrophobicContact CD1-CG 4.42Å; L57-T183 HydrophobicContact CD1-CG2 3.9Å
58E96.3Very high96.4Very high1 Ų128.7 Ų28.71%0.00517%0.165CC..Hα-helixtrans-70.9-31.8174.6-57.792.2154.700112I52 G53 G55 S56 L61 V62 F120 S178 H179 F182I52-E58 HydrophobicContact CG2-CB 4.2Å; I52-E58 HydrophobicContact CG2-CG 4.21Å; G53-E58 VanDerWaalsContact C-CG 3.49Å; G53-E58 WeakPolarHBondContact CA-OE1 3.36Å; G53-E58 WeakPolarHBondContact O-CB 3.42Å; G55-E58 WeakPolarHBondContact CA-OE2 3.29Å; G55-E58 PolarHBondContact N-OE2 2.94Å; G55-E58 PolarHBondContact O-N 3.48Å; S56-E58 VanDerWaalsContact C-N 3.34Å; S56-E58 PolarHBondContact O-N 3.46Å; E58-L61 PolarHBondContact O-N 2.68Å; E58-V62 WeakPolarHBondContact O-CB 3.28Å; E58-V62 VanDerWaalsContact O-CG2 3.32Å; E58-V62 WeakPolarHBondContact O-CG2 3.48Å; E58-V62 PolarHBondContact O-N 3.44Å; E58-F120 HydrophobicContact CB-CE1 4.01Å; E58-F120 HydrophobicContact CB-CZ 4.34Å; E58-S178 VanDerWaalsContact OE1-C 3.3Å; E58-S178 WeakPolarHBondContact OE1-CA 3.34Å; E58-S178 WeakPolarHBondContact OE1-CB 3.12Å; E58-H179 PolarHBondContact OE1-N 2.91Å; E58-F182 HydrophobicContact CG-CE2 4.22Å
59N96.3Very high96.4Very high87 Ų8728.9 Ų28.947%0.46517%0.166SC..Hα-helixtrans-65.6-41.1171-17475.3000112.1G55 S56 L57 V62 T63 F120G55-N59 WeakPolarHBondContact O-CB 3.4Å; G55-N59 PolarHBondContact O-N 3.36Å; S56-N59 WeakPolarHBondContact O-CB 3.31Å; S56-N59 PolarHBondContact O-N 3.06Å; L57-N59 VanDerWaalsContact C-N 3.34Å; N59-V62 PolarHBondContact O-N 3.05Å; N59-T63 WeakPolarHBondContact O-CB 3.28Å; N59-T63 PolarHBondContact O-N 2.92Å; N59-T63 PolarHBondContact O-OG1 3.17Å; N59-F120 HydrophobicContact CB-CZ 4.27Å
60E98.1Very high96.4Very high90 Ų9037.5 Ų37.542%0.42120%0.198SC..Hα-helixtrans-61.5-45.8172.8-176.1176.6176.200111.4F31 L35 S56 L57 V62 T63 A64F31-E60 HydrophobicContact CZ-CB 4.16Å; F31-E60 HydrophobicContact CZ-CG 4.14Å; L35-E60 HydrophobicContact CD1-CG 4.27Å; L35-E60 WeakPolarHBondContact CD1-OE1 3.5Å; L35-E60 HydrophobicContact CD2-CG 4.41Å; S56-E60 PolarHBondContact O-N 2.92Å; L57-E60 PolarHBondContact O-N 3.22Å; E60-V62 PolarHBondContact O-N 2.89Å; E60-T63 WeakPolarHBondContact O-CB 3.28Å; E60-T63 PolarHBondContact O-N 2.98Å; E60-A64 PolarHBondContact O-N 3.25Å
61L98.6Very high96.5Very high0 Ų042.9 Ų42.90%022%0.223CC..Hα-helixtrans-57-49.2174.1-177.670.6000112.1F31 L34 L35 I38 L57 E58 T63 A64 L65 L177 F182F31-L61 HydrophobicContact CE2-CB 4.48Å; L34-L61 HydrophobicContact CB-CD1 4.14Å; L35-L61 HydrophobicContact CD2-CD1 4.34Å; I38-L61 HydrophobicContact CD1-CD1 3.38Å; I38-L61 HydrophobicContact CD1-CG 4.45Å; L57-L61 PolarHBondContact O-N 3.44Å; E58-L61 PolarHBondContact O-N 2.68Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 3.14Å; L61-A64 PolarHBondContact O-N 3.31Å; L61-L65 WeakPolarHBondContact O-CG 3.13Å; L61-L65 PolarHBondContact O-N 3.17Å; L61-L177 HydrophobicContact CD2-CB 4.31Å; L61-L177 HydrophobicContact CD2-CD1 4.1Å; L61-F182 HydrophobicContact CD2-CZ 4.37Å
62V98.2Very high96.6Very high16 Ų1645.2 Ų45.210%0.09723%0.232CC..Hα-helixtrans-66.3-33.1179.1170.70000111.9E58 N59 E60 L65 T66 F120 L121E58-V62 WeakPolarHBondContact O-CB 3.28Å; E58-V62 VanDerWaalsContact O-CG2 3.32Å; E58-V62 WeakPolarHBondContact O-CG2 3.48Å; E58-V62 PolarHBondContact O-N 3.44Å; N59-V62 PolarHBondContact O-N 3.05Å; E60-V62 PolarHBondContact O-N 2.89Å; V62-L65 PolarHBondContact O-N 2.76Å; V62-T66 WeakPolarHBondContact O-CB 3.37Å; V62-T66 PolarHBondContact O-N 2.96Å; V62-T66 PolarHBondContact O-OG1 2.72Å; V62-F120 HydrophobicContact CB-CE1 4.37Å; V62-F120 HydrophobicContact CB-CZ 4.26Å; V62-F120 HydrophobicContact CG2-CD1 4.37Å; V62-F120 HydrophobicContact CG2-CE1 3.52Å; V62-F120 HydrophobicContact CG2-CZ 3.91Å; V62-L121 HydrophobicContact CG2-CD2 3.57Å
63T98.4Very high96.7Very high79 Ų7950.1 Ų50.149%0.48526%0.258SS..Hα-helixtrans-64.1-45.9173.7-600000110.6N59 E60 L61 L65 T66 K67N59-T63 WeakPolarHBondContact O-CB 3.28Å; N59-T63 PolarHBondContact O-N 2.92Å; N59-T63 PolarHBondContact O-OG1 3.17Å; E60-T63 WeakPolarHBondContact O-CB 3.28Å; E60-T63 PolarHBondContact O-N 2.98Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 3.14Å; T63-L65 PolarHBondContact O-N 3.08Å; T63-T66 WeakPolarHBondContact O-CB 3.43Å; T63-T66 PolarHBondContact O-N 2.68Å; T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 PolarHBondContact O-N 2.76Å
64A98.7Very high97Very high23 Ų2350.1 Ų50.119%0.1926%0.258CS..Hα-helixtrans-61-42.4175.400000112L35 I38 E60 L61 K67 A68L35-A64 HydrophobicContact CD2-CB 3.91Å; I38-A64 HydrophobicContact CB-CB 4.46Å; I38-A64 VanDerWaalsContact CG2-C 3.45Å; I38-A64 HydrophobicContact CG2-CB 3.79Å; I38-A64 WeakPolarHBondContact CG2-O 3.36Å; E60-A64 PolarHBondContact O-N 3.25Å; L61-A64 PolarHBondContact O-N 3.31Å; A64-K67 WeakPolarHBondContact O-CB 3.31Å; A64-K67 PolarHBondContact O-N 2.92Å; A64-A68 PolarHBondContact O-N 3.11Å
65L98.7Very high97.3Very high0 Ų054.2 Ų54.20%027%0.274CS..Hα-helixtrans-61.9-44.3174.9-68.4172.8000112I38 I45 L47 L61 V62 T63 K67 A68 V69 L76 I78I38-L65 HydrophobicContact CD1-CD2 3.67Å; I38-L65 HydrophobicContact CD1-CG 4.02Å; I38-L65 HydrophobicContact CG1-CD2 3.86Å; I38-L65 HydrophobicContact CG2-CD2 4.16Å; I45-L65 HydrophobicContact CD1-CD2 4.14Å; I45-L65 HydrophobicContact CG2-CD2 3.83Å; L47-L65 HydrophobicContact CD1-CD1 3.74Å; L47-L65 HydrophobicContact CD1-CD2 4.13Å; L61-L65 WeakPolarHBondContact O-CG 3.13Å; L61-L65 PolarHBondContact O-N 3.17Å; V62-L65 PolarHBondContact O-N 2.76Å; T63-L65 PolarHBondContact O-N 3.08Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.1Å; L65-A68 PolarHBondContact O-N 3.08Å; L65-V69 WeakPolarHBondContact O-CG2 3.33Å; L65-V69 PolarHBondContact O-N 2.97Å; L65-L76 HydrophobicContact CB-CD2 4.05Å; L65-L76 HydrophobicContact CD1-CD2 4.47Å; L65-L76 HydrophobicContact CD2-CD1 3.91Å; L65-L76 HydrophobicContact CD2-CD2 4.43Å; L65-I78 HydrophobicContact CD1-CD1 4.34Å
66T98.4Very high97.7Very high30 Ų3053.5 Ų53.518%0.18427%0.267CS..Hα-helixtrans-59.6-44.2176.8-60.90000110.9V62 T63 V69 R70 L124 L127V62-T66 WeakPolarHBondContact O-CB 3.37Å; V62-T66 PolarHBondContact O-N 2.96Å; V62-T66 PolarHBondContact O-OG1 2.72Å; T63-T66 WeakPolarHBondContact O-CB 3.43Å; T63-T66 PolarHBondContact O-N 2.68Å; T66-V69 PolarHBondContact O-N 3.22Å; T66-R70 HydrophobicContact CG2-CG 4.47Å; T66-R70 WeakPolarHBondContact O-CB 3.38Å; T66-R70 WeakPolarHBondContact O-CG 3.4Å; T66-R70 PolarHBondContact O-N 3.23Å; T66-L124 WeakPolarHBondContact OG1-CD1 3.47Å; T66-L127 HydrophobicContact CG2-CD1 4.15Å
67K98.2Very high97.9Very high89 Ų8949.3 Ų49.339%0.38724%0.237SC..Hα-helixtrans-59.2-49.3175.9-170.9-177.2176.4-172.90111.1T63 A64 L65 V69 R70 E71T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 PolarHBondContact O-N 2.76Å; A64-K67 WeakPolarHBondContact O-CB 3.31Å; A64-K67 PolarHBondContact O-N 2.92Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.1Å; K67-V69 PolarHBondContact O-N 3Å; K67-R70 PolarHBondContact O-N 3.42Å; K67-E71 VanDerWaalsContact CE-CD 3.45Å; K67-E71 VanDerWaalsContact CE-OE1 3.24Å; K67-E71 WeakPolarHBondContact CE-OE1 3.29Å; K67-E71 WeakPolarHBondContact CE-OE2 3.45Å; K67-E71 HydrophobicContact CG-CG 4.13Å; K67-E71 VanDerWaalsContact CG-OE1 3.24Å; K67-E71 WeakPolarHBondContact CG-OE1 3.38Å; K67-E71 VanDerWaalsContact CG-OE2 3.25Å; K67-E71 WeakPolarHBondContact CG-OE2 2.76Å; K67-E71 WeakPolarHBondContact O-CB 3.37Å; K67-E71 WeakPolarHBondContact O-CG 3.47Å; K67-E71 PolarHBondContact O-N 3.34Å
68A98.3Very high98.1Very high0 Ų047.7 Ų47.70%023%0.228CC..Hα-helixtrans-58.6-43.7178.700000113.1I38 I45 A64 L65 R72 N73 V74I38-A68 HydrophobicContact CG2-CB 4.04Å; I45-A68 HydrophobicContact CD1-CB 3.86Å; A64-A68 PolarHBondContact O-N 3.11Å; L65-A68 PolarHBondContact O-N 3.08Å; A68-R72 VanDerWaalsContact CB-NH2 3.32Å; A68-R72 WeakPolarHBondContact O-CA 3.46Å; A68-R72 WeakPolarHBondContact O-CB 3.39Å; A68-R72 PolarHBondContact O-N 3.4Å; A68-R72 VanDerWaalsContact O-N 3.11Å; A68-N73 PolarHBondContact O-N 3.42Å; A68-V74 HydrophobicContact CB-CB 4.45Å; A68-V74 HydrophobicContact CB-CG2 4.31Å
69V98.3Very high98.2Very high5 Ų547.6 Ų47.63%0.0323%0.228CC..Hα-helixtrans-66.8-45.2177.8175.70000111.3L65 T66 K67 N73 L76 L127 P128 V130L65-V69 WeakPolarHBondContact O-CG2 3.33Å; L65-V69 PolarHBondContact O-N 2.97Å; T66-V69 PolarHBondContact O-N 3.22Å; K67-V69 PolarHBondContact O-N 3Å; V69-N73 WeakPolarHBondContact O-CA 3.19Å; V69-N73 PolarHBondContact O-N 2.9Å; V69-N73 VanDerWaalsContact O-N 3.12Å; V69-L76 HydrophobicContact CG2-CB 3.75Å; V69-L76 HydrophobicContact CG2-CD2 4.02Å; V69-L127 HydrophobicContact CB-CD1 4.15Å; V69-L127 HydrophobicContact CG1-CB 3.93Å; V69-L127 HydrophobicContact CG1-CD1 3.93Å; V69-P128 WeakPolarHBondContact CG1-O 3.36Å; V69-V130 HydrophobicContact CG1-CG2 4.01Å; V69-V130 HydrophobicContact CG2-CG2 3.98Å
70R97.6Very high98.2Very high180 Ų18043.5 Ų43.568%0.67921%0.206SC*.Hα-helixtrans-73.2-42.2-175.4-73.6-178.6174.8174.5-0.8113.6T66 K67 L127T66-R70 HydrophobicContact CG2-CG 4.47Å; T66-R70 WeakPolarHBondContact O-CB 3.38Å; T66-R70 WeakPolarHBondContact O-CG 3.4Å; T66-R70 PolarHBondContact O-N 3.23Å; K67-R70 PolarHBondContact O-N 3.42Å; R70-L127 HydrophobicContact CG-CD1 4.33Å; R70-L127 HydrophobicContact CG-CD2 4.12Å
71E97.3Very high98.1Very high126 Ų12639.2 Ų39.259%0.58919%0.186SC*.Hα-helixtrans-89.2-32.9-172.4-63.7178.617900112.7K67K67-E71 VanDerWaalsContact CE-CD 3.45Å; K67-E71 VanDerWaalsContact CE-OE1 3.24Å; K67-E71 WeakPolarHBondContact CE-OE1 3.29Å; K67-E71 WeakPolarHBondContact CE-OE2 3.45Å; K67-E71 HydrophobicContact CG-CG 4.13Å; K67-E71 VanDerWaalsContact CG-OE1 3.24Å; K67-E71 WeakPolarHBondContact CG-OE1 3.38Å; K67-E71 VanDerWaalsContact CG-OE2 3.25Å; K67-E71 WeakPolarHBondContact CG-OE2 2.76Å; K67-E71 WeakPolarHBondContact O-CB 3.37Å; K67-E71 WeakPolarHBondContact O-CG 3.47Å; K67-E71 PolarHBondContact O-N 3.34Å
72R97.4Very high97.8Very high61 Ų6139.3 Ų39.323%0.2319%0.187CC..Hα-helixtrans-117.92.4-173.7-65.2-177.8-65.8-75.68.2113.7I38 E39 A41 N42 A68 V74I38-R72 PolarHBondContact O-NH2 3.5Å; E39-R72 PolarHBondContact O-NE 3.05Å; E39-R72 PolarHBondContact O-NH2 3.01Å; A41-R72 PolarHBondContact O-NE 3.5Å; N42-R72 WeakPolarHBondContact OD1-CD 3.32Å; A68-R72 VanDerWaalsContact CB-NH2 3.32Å; A68-R72 WeakPolarHBondContact O-CA 3.46Å; A68-R72 WeakPolarHBondContact O-CB 3.39Å; A68-R72 PolarHBondContact O-N 3.4Å; A68-R72 VanDerWaalsContact O-N 3.11Å; R72-V74 HydrophobicContact CB-CG2 3.81Å; R72-V74 PolarHBondContact O-N 3.16Å; R72-V74 VanDerWaalsContact O-N 3.17Å
73N97.1Very high97.3Very high104 Ų10439.9 Ų39.956%0.55619%0.191SC*.  trans54.232.9-179.5-164.932.9000113.7A68 V69 N129A68-N73 PolarHBondContact O-N 3.42Å; V69-N73 WeakPolarHBondContact O-CA 3.19Å; V69-N73 PolarHBondContact O-N 2.9Å; V69-N73 VanDerWaalsContact O-N 3.12Å; N73-N129 PolarHBondContact OD1-ND2 2.82Å
74V98.3Very high96.8Very high0 Ų037.7 Ų37.70%017%0.174CC..  trans-66.7134.4-178.1176.20000110.3A41 I45 A68 R72 L76A41-V74 WeakPolarHBondContact O-CG2 3.32Å; I45-V74 HydrophobicContact CB-CG1 4.17Å; I45-V74 HydrophobicContact CD1-CG1 3.73Å; I45-V74 HydrophobicContact CG1-CG1 3.64Å; A68-V74 HydrophobicContact CB-CB 4.45Å; A68-V74 HydrophobicContact CB-CG2 4.31Å; R72-V74 HydrophobicContact CB-CG2 3.81Å; R72-V74 PolarHBondContact O-N 3.16Å; R72-V74 VanDerWaalsContact O-N 3.17Å; V74-L76 PolarHBondContact O-N 2.95Å
75K98.6Very high96.4Very high109 Ų10936.6 Ų36.647%0.47417%0.165SC..EExtended strand (participates in β ladder)trans-74112172.6-175176.81791790110.3K43 R44 I45K43-K75 PolarHBondContact O-N 2.96Å; R44-K75 CarbonylContact C-O 3.55Å; R44-K75 WeakPolarHBondContact CA-O 3.47Å; I45-K75 PolarHBondContact N-O 3.46Å
76L98.8Very high95.9Very high1 Ų140.1 Ų40.11%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-102125.1-178.7176.159.5000111.1I45 L65 V69 V74 I78 L124 N129 V130 S131I45-L76 HydrophobicContact CB-CD1 3.87Å; I45-L76 HydrophobicContact CG2-CD1 3.65Å; I45-L76 CarbonylContact O-C 3.58Å; I45-L76 WeakPolarHBondContact O-CA 3.35Å; L65-L76 HydrophobicContact CB-CD2 4.05Å; L65-L76 HydrophobicContact CD1-CD2 4.47Å; L65-L76 HydrophobicContact CD2-CD1 3.91Å; L65-L76 HydrophobicContact CD2-CD2 4.43Å; V69-L76 HydrophobicContact CG2-CB 3.75Å; V69-L76 HydrophobicContact CG2-CD2 4.02Å; V74-L76 PolarHBondContact O-N 2.95Å; L76-I78 HydrophobicContact CD1-CG1 4.06Å; L76-I78 HydrophobicContact CD2-CD1 4.42Å; L76-I78 HydrophobicContact CG-CG1 4.29Å; L76-L124 HydrophobicContact CD2-CD2 3.5Å; L76-L124 HydrophobicContact CD2-CG 4.22Å; L76-N129 PolarHBondContact N-O 2.75Å; L76-V130 HydrophobicContact CB-CG2 4.21Å; L76-V130 HydrophobicContact CD2-CG1 4.39Å; L76-V130 HydrophobicContact CD2-CG2 4.24Å; L76-V130 CarbonylContact O-C 3.55Å; L76-V130 WeakPolarHBondContact O-CA 3.42Å; L76-S131 PolarHBondContact O-N 2.98Å
77T98.9Very high95.1Very high0 Ų040.7 Ų40.70%018%0.182CC..EExtended strand (participates in β ladder)trans-124129.7169.6-60.70000110.7I45 I46 L47 S131 L133 I206 H207I45-T77 PolarHBondContact O-N 3.13Å; I46-T77 CarbonylContact C-O 3.53Å; I46-T77 VanDerWaalsContact CA-O 3.23Å; I46-T77 WeakPolarHBondContact CA-O 3.35Å; I46-T77 HydrophobicContact CG2-CG2 4.3Å; L47-T77 PolarHBondContact N-O 2.67Å; T77-S131 CarbonylContact C-O 3.52Å; T77-S131 VanDerWaalsContact CA-O 3.23Å; T77-S131 WeakPolarHBondContact CA-O 3.29Å; T77-L133 HydrophobicContact CG2-CD1 3.83Å; T77-L133 HydrophobicContact CG2-CG 4.29Å; T77-I206 HydrophobicContact CG2-CG2 4.34Å; T77-H207 PolarHBondContact OG1-CE1 2.95Å
78I98.8Very high94.2Very high0 Ų039.3 Ų39.30%018%0.182CC..EExtended strand (participates in β ladder)trans-119118.3174.1-57.1177.4000107.8L47 I52 L65 L76 M80 L121 L124 S131 I132 L133L47-I78 HydrophobicContact CB-CG1 4.38Å; L47-I78 HydrophobicContact CD1-CG1 4.44Å; L47-I78 CarbonylContact O-C 3.55Å; L47-I78 WeakPolarHBondContact O-CA 3.4Å; I52-I78 HydrophobicContact CD1-CD1 4.37Å; I52-I78 HydrophobicContact CD1-CG2 4.02Å; L65-I78 HydrophobicContact CD1-CD1 4.34Å; L76-I78 HydrophobicContact CD1-CG1 4.06Å; L76-I78 HydrophobicContact CD2-CD1 4.42Å; L76-I78 HydrophobicContact CG-CG1 4.29Å; I78-M80 HydrophobicContact CG2-CG 3.92Å; I78-M80 HydrophobicContact CG2-SD 4.35Å; I78-L121 HydrophobicContact CD1-CD1 4.44Å; I78-L121 HydrophobicContact CD1-CD2 4.31Å; I78-L121 HydrophobicContact CG2-CD1 4.5Å; I78-L124 HydrophobicContact CD1-CD2 4.14Å; I78-S131 PolarHBondContact N-O 3.2Å; I78-I132 HydrophobicContact CB-CG1 4.21Å; I78-I132 HydrophobicContact CB-CG2 4.42Å; I78-I132 HydrophobicContact CD1-CD1 4.32Å; I78-I132 HydrophobicContact CD1-CG1 4.43Å; I78-I132 CarbonylContact O-C 3.59Å; I78-I132 WeakPolarHBondContact O-CA 3.38Å; I78-L133 PolarHBondContact O-N 3.17Å
79L98.8Very high92.8Very high0 Ų039.7 Ų39.70%018%0.184CC..EExtended strand (participates in β ladder)trans-102.7122.2172.8171.764.4000109.5L47 S48 T49 L133 Q159 I206 I210L47-L79 PolarHBondContact O-N 3.18Å; S48-L79 WeakPolarHBondContact CA-O 3.21Å; T49-L79 PolarHBondContact N-O 3.03Å; T49-L79 VanDerWaalsContact O-O 3.1Å; L79-L133 CarbonylContact C-O 3.47Å; L79-L133 WeakPolarHBondContact CA-O 3.47Å; L79-L133 HydrophobicContact CD1-CB 3.94Å; L79-Q159 HydrophobicContact CD2-CG 4.3Å; L79-Q159 HydrophobicContact CG-CG 4.34Å; L79-I206 HydrophobicContact CB-CG2 4.34Å; L79-I206 HydrophobicContact CD2-CD1 4.49Å; L79-I206 HydrophobicContact CD2-CG1 3.96Å; L79-I206 HydrophobicContact CD2-CG2 4.23Å; L79-I210 HydrophobicContact CD1-CG2 3.99Å; L79-I210 HydrophobicContact CD2-CB 4.41Å; L79-I210 HydrophobicContact CD2-CD1 4.01Å; L79-I210 HydrophobicContact CD2-CG2 3.83Å
80M97.8Very high91.1Very high0 Ų044 Ų440%021%0.206CC..EExtended strand (participates in β ladder)trans-128.3167.5173.1-55.7-176.2-68.600112.7T49 I52 I78 L121 I132 L133 L134 Y135T49-M80 HydrophobicContact CG2-CG 3.97Å; T49-M80 VanDerWaalsContact O-CA 3.29Å; T49-M80 WeakPolarHBondContact O-CA 3.43Å; I52-M80 HydrophobicContact CB-SD 4.41Å; I52-M80 HydrophobicContact CG1-SD 3.91Å; I78-M80 HydrophobicContact CG2-CG 3.92Å; I78-M80 HydrophobicContact CG2-SD 4.35Å; M80-L121 HydrophobicContact CE-CD1 3.52Å; M80-L121 HydrophobicContact SD-CD1 3.84Å; M80-I132 HydrophobicContact CE-CG2 4.04Å; M80-L133 PolarHBondContact N-O 3.32Å; M80-L134 HydrophobicContact CB-CD2 3.88Å; M80-L134 HydrophobicContact CE-CD2 3.76Å; M80-L134 CarbonylContact O-C 3.51Å; M80-L134 WeakPolarHBondContact O-CA 3.44Å; M80-Y135 PolarHBondContact O-N 3.44Å
81D95.2Very high89Confident0 Ų037.8 Ų37.80%019%0.189CC..EExtended strand (participates in β ladder)trans-77.8133.7164.1-179.383.5000110.7L50 T83 R84 G85 V158 Q159L50-D81 HydrophobicContact CD1-CB 3.65Å; L50-D81 PolarHBondContact O-N 3.01Å; D81-T83 PolarHBondContact O-N 3.39Å; D81-T83 WeakPolarHBondContact OD2-CA 3.35Å; D81-T83 WeakPolarHBondContact OD2-CB 3.31Å; D81-T83 PolarHBondContact OD2-N 3.29Å; D81-T83 PolarHBondContact OD2-OG1 2.96Å; D81-R84 HydrophobicContact CB-CB 4.29Å; D81-R84 HydrophobicContact CB-CG 4.46Å; D81-R84 PolarHBondContact OD2-N 3.21Å; D81-G85 WeakPolarHBondContact O-CA 3.37Å; D81-G85 PolarHBondContact O-N 3.23Å; D81-V158 HydrophobicContact CB-CB 4.42Å; D81-V158 WeakPolarHBondContact OD1-CA 3.22Å; D81-V158 WeakPolarHBondContact OD1-CB 3.23Å; D81-Q159 HydrophobicContact CB-CB 4.23Å; D81-Q159 PolarHBondContact OD1-N 2.87Å; D81-Q159 VanDerWaalsContact OD1-N 3.16Å
82A92.4Very high86.8Confident3 Ų332.1 Ų32.13%0.02516%0.163CC..Hα-helixtrans-66.4-38.3-178.100000112.2L86 L134 Y135 R136A82-L86 VanDerWaalsContact O-CB 3.24Å; A82-L86 WeakPolarHBondContact O-CB 3.33Å; A82-L86 WeakPolarHBondContact O-CD1 3.45Å; A82-L86 WeakPolarHBondContact O-CG 3.39Å; A82-L86 PolarHBondContact O-N 3.1Å; A82-L86 VanDerWaalsContact O-N 3.1Å; A82-L134 HydrophobicContact CB-CB 3.94Å; A82-Y135 VanDerWaalsContact CB-O 3.28Å; A82-Y135 WeakPolarHBondContact CB-O 3.26Å; A82-Y135 PolarHBondContact N-O 3.45Å; A82-R136 HydrophobicContact CB-CB 3.82Å; A82-R136 HydrophobicContact CB-CG 4.24Å
83T88.3Confident84.5Confident28 Ų2830.2 Ų30.217%0.17216%0.157CC..Hα-helixtrans-70.2-39-178720000111.1D81 F139D81-T83 PolarHBondContact O-N 3.39Å; D81-T83 WeakPolarHBondContact OD2-CA 3.35Å; D81-T83 WeakPolarHBondContact OD2-CB 3.31Å; D81-T83 PolarHBondContact OD2-N 3.29Å; D81-T83 PolarHBondContact OD2-OG1 2.96Å; T83-F139 HydrophobicContact CG2-CZ 4.31Å
84R87.9Confident82.2Confident33 Ų3332 Ų3213%0.12516%0.157CC..Hα-helixtrans-78.7-41.7177.5-64.4-67.8-64.4106.50.2112.3L50 D81 L86 R87 E154L50-R84 HydrophobicContact CD1-CB 4.26Å; L50-R84 HydrophobicContact CD1-CG 3.73Å; L50-R84 HydrophobicContact CD2-CG 3.99Å; L50-R84 HydrophobicContact CG-CB 3.99Å; L50-R84 HydrophobicContact CG-CG 3.68Å; D81-R84 HydrophobicContact CB-CB 4.29Å; D81-R84 HydrophobicContact CB-CG 4.46Å; D81-R84 PolarHBondContact OD2-N 3.21Å; R84-L86 VanDerWaalsContact C-N 3.33Å; R84-L86 PolarHBondContact O-N 3.3Å; R84-R87 PolarHBondContact O-N 3.03Å; R84-E154 WeakPolarHBondContact CD-OE1 3.35Å; R84-E154 WeakPolarHBondContact CD-OE2 3.49Å; R84-E154 IonicContact NE-OE1 3.73Å; R84-E154 IonicContact NE-OE2 2.82Å
85G89.4Confident79.9Confident0 Ų034.7 Ų34.70%017%0.168CC..Hα-helixtrans-68.1-26.4-179.600000114.3D81 S116 S117 C118D81-G85 WeakPolarHBondContact O-CA 3.37Å; D81-G85 PolarHBondContact O-N 3.23Å; G85-S116 WeakPolarHBondContact O-CB 3.37Å; G85-S117 PolarHBondContact O-N 2.85Å; G85-S117 VanDerWaalsContact O-N 3.15Å; G85-C118 PolarHBondContact O-N 3.31Å; G85-C118 PolarHBondContact O-SG 3.29Å
86L87.8Confident77.4Confident73 Ų7332.4 Ų32.438%0.38216%0.163SC..THydrogen-bonded Turntrans-86-10.7176.3-71.6170.6000113.7A82 R84 S116 C118 L223A82-L86 VanDerWaalsContact O-CB 3.24Å; A82-L86 WeakPolarHBondContact O-CB 3.33Å; A82-L86 WeakPolarHBondContact O-CD1 3.45Å; A82-L86 WeakPolarHBondContact O-CG 3.39Å; A82-L86 PolarHBondContact O-N 3.1Å; A82-L86 VanDerWaalsContact O-N 3.1Å; R84-L86 VanDerWaalsContact C-N 3.33Å; R84-L86 PolarHBondContact O-N 3.3Å; L86-S116 VanDerWaalsContact C-CB 3.45Å; L86-S116 WeakPolarHBondContact O-CB 3.36Å; L86-C118 HydrophobicContact CD2-CB 4.04Å; L86-L223 HydrophobicContact CD1-CD1 4Å; L86-L223 HydrophobicContact CD2-CD1 4.26Å; L86-L223 HydrophobicContact CG-CD1 4.49Å
87R82.3Confident75Confident43 Ų4335 Ų3516%0.16218%0.176CC..SBendtrans-82.5139-178-178.3171.4163.5-154.5-14110.7R84 C89 S116 E154R84-R87 PolarHBondContact O-N 3.03Å; R87-C89 PolarHBondContact O-N 3.18Å; R87-S116 VanDerWaalsContact O-CA 3.29Å; R87-S116 WeakPolarHBondContact O-CA 3.48Å; R87-S116 VanDerWaalsContact O-CB 3.26Å; R87-S116 WeakPolarHBondContact O-CB 3.35Å; R87-E154 IonicContact NH1-OE1 3.62Å; R87-E154 PolarHBondContact NH1-OE1 3.32Å; R87-E154 VanDerWaalsContact NH1-OE1 3.13Å
88P79.6Confident72.5Confident59 Ų5938.4 Ų38.438%0.38320%0.195SC..BIsolated β-bridgetrans-56.1127169.2-27.135.9000111.7L90P88-L90 PolarHBondContact O-N 2.99Å
89C68.6Low70.2Confident8 Ų841.8 Ų41.85%0.05422%0.222CC..  trans-74.3102.7172.8-72.80000108T54 R87 T92 Y115T54-C89 HydrophobicContact CG2-CB 4.2Å; R87-C89 PolarHBondContact O-N 3.18Å; C89-T92 HydrophobicContact CB-CG2 4.23Å; C89-T92 PolarHBondContact O-OG1 2.89Å; C89-Y115 PolarHBondContact N-O 2.97Å
90L62.4Low67.4Low95 Ų9545.7 Ų45.750%0.49724%0.243SC..Hα-helixtrans-82.6-20.9179.2-63.6174.1000112.6P88 T92 N93 Y94P88-L90 PolarHBondContact O-N 2.99Å; L90-T92 VanDerWaalsContact C-N 3.28Å; L90-T92 PolarHBondContact O-N 2.83Å; L90-N93 PolarHBondContact O-N 2.88Å; L90-Y94 PolarHBondContact O-N 2.9Å
91T53.8Low64.8Low51 Ų5149.7 Ų49.731%0.31326%0.264SS..Hα-helixtrans-69.7-30.3-177.648.50000111.4Y94 Y95 E180T91-Y94 PolarHBondContact O-N 3.38Å; T91-Y94 VanDerWaalsContact O-N 3.17Å; T91-Y95 WeakPolarHBondContact O-CD2 3.18Å; T91-Y95 PolarHBondContact O-N 3.26Å; T91-E180 WeakPolarHBondContact CB-OE1 3.49Å; T91-E180 WeakPolarHBondContact CG2-OE1 3.41Å
92T50.2Low62.4Low7 Ų757.8 Ų57.84%0.04331%0.307CS..Hα-helixtrans-58.6-50.3171.150.10000110.2T54 G55 C89 L90 Y94 Y95 T96T54-T92 VanDerWaalsContact C-CG2 3.48Å; T54-T92 WeakPolarHBondContact OG1-CG2 3.46Å; T54-T92 PolarHBondContact OG1-OG1 2.77Å; G55-T92 VanDerWaalsContact N-CG2 3.28Å; C89-T92 HydrophobicContact CB-CG2 4.23Å; C89-T92 PolarHBondContact O-OG1 2.89Å; L90-T92 VanDerWaalsContact C-N 3.28Å; L90-T92 PolarHBondContact O-N 2.83Å; T92-Y94 VanDerWaalsContact C-N 3.29Å; T92-Y94 PolarHBondContact O-N 3.1Å; T92-Y95 PolarHBondContact O-N 3.44Å; T92-Y95 VanDerWaalsContact O-N 3.16Å; T92-T96 PolarHBondContact O-N 3.26Å; T92-T96 PolarHBondContact O-OG1 2.72Å
93N48.7Very low60Low21 Ų2161 Ų6111%0.11233%0.329CS..Hα-helixtrans-55.7-42.3174.9-70.131000112.1L90 Y95 T96 I97 S114L90-N93 PolarHBondContact O-N 2.88Å; N93-Y95 PolarHBondContact O-N 2.87Å; N93-T96 PolarHBondContact O-N 2.85Å; N93-I97 HydrophobicContact CB-CD1 4.35Å; N93-I97 WeakPolarHBondContact O-CB 3.34Å; N93-I97 WeakPolarHBondContact O-CD1 3.05Å; N93-I97 WeakPolarHBondContact O-CG1 3.44Å; N93-I97 PolarHBondContact O-N 3.03Å; N93-S114 PolarHBondContact ND2-OG 2.89Å; N93-S114 PolarHBondContact OD1-OG 3.42Å
94Y50.2Low57.9Low140 Ų14064.6 Ų64.655%0.54936%0.356SS..Hα-helixtrans-61.9-42.6178.9-174.5-99.5000113.2L90 T91 T92 N98L90-Y94 PolarHBondContact O-N 2.9Å; T91-Y94 PolarHBondContact O-N 3.38Å; T91-Y94 VanDerWaalsContact O-N 3.17Å; T92-Y94 VanDerWaalsContact C-N 3.29Å; T92-Y94 PolarHBondContact O-N 3.1Å; Y94-N98 WeakPolarHBondContact CE1-ND2 3.42Å; Y94-N98 WeakPolarHBondContact O-CB 3.3Å; Y94-N98 PolarHBondContact O-N 2.98Å; Y94-N98 PolarHBondContact OH-ND2 3.17Å
95Y48.9Very low55.7Low57 Ų5769.6 Ų69.622%0.22439%0.39CS..Hα-helixtrans-76.4-35.8178.5-73.7-75.1000112.8T91 T92 N93 I97 N98 A99 H179 E180T91-Y95 WeakPolarHBondContact O-CD2 3.18Å; T91-Y95 PolarHBondContact O-N 3.26Å; T92-Y95 PolarHBondContact O-N 3.44Å; T92-Y95 VanDerWaalsContact O-N 3.16Å; N93-Y95 PolarHBondContact O-N 2.87Å; Y95-I97 VanDerWaalsContact C-N 3.31Å; Y95-I97 PolarHBondContact O-N 3.19Å; Y95-N98 PolarHBondContact O-N 2.8Å; Y95-A99 VanDerWaalsContact O-CB 3.27Å; Y95-A99 WeakPolarHBondContact O-CB 3.38Å; Y95-A99 PolarHBondContact O-N 3.22Å; Y95-H179 AromaticContact CD1-CE1 3.34Å; Y95-H179 WeakPolarHBondContact CD1-CE1 3.23Å; Y95-H179 AromaticContact CD1-ND1 3.56Å; Y95-H179 AromaticContact CD2-ND1 3.55Å; Y95-H179 AromaticContact CE1-CE1 3.62Å; Y95-H179 AromaticContact CE1-ND1 3.66Å; Y95-H179 AromaticContact CE2-ND1 3.71Å; Y95-H179 AromaticContact CG-CE1 3.64Å; Y95-H179 AromaticContact CG-ND1 3.5Å; Y95-H179 AromaticContact CZ-ND1 3.74Å; Y95-E180 HydrophobicContact CE2-CG 3.64Å; Y95-E180 WeakPolarHBondContact OH-CG 3.36Å
96T47.6Very low53.6Low61 Ų6173.2 Ų73.237%0.37441%0.412SS..Hα-helixtrans-62.9-40.5171.5-33.40000110.8T92 N93 N100T92-T96 PolarHBondContact O-N 3.26Å; T92-T96 PolarHBondContact O-OG1 2.72Å; N93-T96 PolarHBondContact O-N 2.85Å; T96-N100 VanDerWaalsContact O-CB 3.28Å; T96-N100 WeakPolarHBondContact O-CB 3.49Å; T96-N100 PolarHBondContact O-N 2.78Å
97I46.5Very low51.5Low55 Ų5575.8 Ų75.828%0.28243%0.426SS..Hα-helixtrans-65.1-47.3175.9-69.3160.9000110.9N93 Y95 N100 N101 L111N93-I97 HydrophobicContact CB-CD1 4.35Å; N93-I97 WeakPolarHBondContact O-CB 3.34Å; N93-I97 WeakPolarHBondContact O-CD1 3.05Å; N93-I97 WeakPolarHBondContact O-CG1 3.44Å; N93-I97 PolarHBondContact O-N 3.03Å; Y95-I97 VanDerWaalsContact C-N 3.31Å; Y95-I97 PolarHBondContact O-N 3.19Å; I97-N100 CarbonylContact O-C 3.54Å; I97-N100 PolarHBondContact O-N 3.38Å; I97-N101 WeakPolarHBondContact CG2-ND2 3.21Å; I97-N101 WeakPolarHBondContact O-CB 3.21Å; I97-N101 PolarHBondContact O-N 3.34Å; I97-N101 PolarHBondContact O-ND2 3.31Å; I97-L111 HydrophobicContact CD1-CD2 3.64Å; I97-L111 HydrophobicContact CG1-CD2 4.02Å
98N47.5Very low49.8Very low73 Ų7380.7 Ų80.739%0.3946%0.455SS..Hα-helixtrans-71.2-32.5-178.9-80.8-4.9000113.4Y94 Y95 N100Y94-N98 WeakPolarHBondContact CE1-ND2 3.42Å; Y94-N98 WeakPolarHBondContact O-CB 3.3Å; Y94-N98 PolarHBondContact O-N 2.98Å; Y94-N98 PolarHBondContact OH-ND2 3.17Å; Y95-N98 PolarHBondContact O-N 2.8Å; N98-N100 VanDerWaalsContact C-N 3.32Å
99A49.5Very low48.2Very low70 Ų7086 Ų8658%0.57948%0.48SS*.Hα-helixtrans-64.9-38.2170.600000111.3Y95Y95-A99 VanDerWaalsContact O-CB 3.27Å; Y95-A99 WeakPolarHBondContact O-CB 3.38Å; Y95-A99 PolarHBondContact O-N 3.22Å
100N40.6Very low47.1Very low83 Ų8393.8 Ų93.844%0.44452%0.515SS..Hα-helixtrans-84.8-18.8-179.5-67.7-1.6000113.9T96 I97 N98 L102 S103T96-N100 VanDerWaalsContact O-CB 3.28Å; T96-N100 WeakPolarHBondContact O-CB 3.49Å; T96-N100 PolarHBondContact O-N 2.78Å; I97-N100 CarbonylContact O-C 3.54Å; I97-N100 PolarHBondContact O-N 3.38Å; N98-N100 VanDerWaalsContact C-N 3.32Å; N100-L102 PolarHBondContact O-N 3.31Å; N100-L102 VanDerWaalsContact O-N 3.16Å; N100-S103 WeakPolarHBondContact O-CA 3.29Å; N100-S103 PolarHBondContact O-N 3.33Å; N100-S103 PolarHBondContact O-OG 2.91Å
101N43.4Very low46.5Very low83 Ų8393 Ų9344%0.44451%0.511SS..THydrogen-bonded Turntrans-75.46.3179.9-85-11.6000114.3I97I97-N101 WeakPolarHBondContact CG2-ND2 3.21Å; I97-N101 WeakPolarHBondContact O-CB 3.21Å; I97-N101 PolarHBondContact O-N 3.34Å; I97-N101 PolarHBondContact O-ND2 3.31Å
102L45.7Very low46.4Very low170 Ų17094.1 Ų94.189%0.8952%0.519SS*.THydrogen-bonded Turntrans-69.8-11.9153.1-94.5115.1000112.6N100N100-L102 PolarHBondContact O-N 3.31Å; N100-L102 VanDerWaalsContact O-N 3.16Å
103S41Very low46.8Very low70 Ų7097.7 Ų97.749%0.4954%0.542SS..SBendtrans-110.7102.216664.70000109.7N100 T105N100-S103 WeakPolarHBondContact O-CA 3.29Å; N100-S103 PolarHBondContact O-N 3.33Å; N100-S103 PolarHBondContact O-OG 2.91Å; S103-T105 PolarHBondContact O-N 3.49Å
104S44Very low47.6Very low105 Ų10598.3 Ų98.373%0.73455%0.548SS*.THydrogen-bonded Turntrans-61.1110.5171.548.50000110.2
105T42.8Very low49.1Very low137 Ų13796.3 Ų96.384%0.8454%0.54SS*.THydrogen-bonded Turntrans144.727158510000115.6S103 N107S103-T105 PolarHBondContact O-N 3.49Å; T105-N107 PolarHBondContact O-N 3.24Å; T105-N107 VanDerWaalsContact O-N 3.14Å
106T45.3Very low51.1Low76 Ų7694.5 Ų94.547%0.46654%0.536SS..  trans-74.7109.3172.550.30000111.6L108T106-L108 PolarHBondContact O-N 3.13Å
107N42.2Very low53.3Low128 Ų12891.6 Ų91.668%0.68452%0.518SS*.  trans-58.1127.3171-84.3-35000109.8T105 L109 E110T105-N107 PolarHBondContact O-N 3.24Å; T105-N107 VanDerWaalsContact O-N 3.14Å; N107-L109 PolarHBondContact O-N 2.87Å; N107-E110 PolarHBondContact O-N 3.29Å
108L47.5Very low55.6Low146 Ų14689.1 Ų89.176%0.76451%0.505SS*.THydrogen-bonded Turntrans-58.1-6.8179.9-71.6167.7000114.9T106 L111T106-L108 PolarHBondContact O-N 3.13Å; L108-L111 WeakPolarHBondContact O-CD1 3.37Å
109L45Very low57.7Low171 Ų17190.7 Ų90.790%0.89551%0.51SS*.THydrogen-bonded Turntrans-86.5-15.9-179-70.2167.1000113.7N107N107-L109 PolarHBondContact O-N 2.87Å
110E46.5Very low59.9Low171 Ų17189 Ų8980%0.79949%0.49SS*.  trans-103.334.4179-68.3-174.716900112.7N107 P112N107-E110 PolarHBondContact O-N 3.29Å; E110-P112 WeakPolarHBondContact O-CD 3.49Å
111L49.2Very low62.6Low79 Ų7985.1 Ų85.141%0.41447%0.469SS..PPolyproline II helixtrans-67.2125.6172.7-74.3161.5000108.9I97 L108I97-L111 HydrophobicContact CD1-CD2 3.64Å; I97-L111 HydrophobicContact CG1-CD2 4.02Å; L108-L111 WeakPolarHBondContact O-CD1 3.37Å
112P52.9Low65.1Low74 Ų7481.4 Ų81.448%0.48145%0.45SS..PPolyproline II helixtrans-56.3138.4168.522.4-30.4000108.5E110 S114E110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-S114 PolarHBondContact O-N 3.4Å
113P58.6Low67.5Low82 Ų8277.2 Ų77.253%0.53243%0.433SS..PPolyproline II helixtrans-57.1125.9-177.921.3-32.1000109.6Y115P113-Y115 HydrophobicContact CB-CE1 4.26Å; P113-Y115 HydrophobicContact CG-CE1 3.95Å; P113-Y115 HydrophobicContact CG-CE2 4.27Å; P113-Y115 WeakPolarHBondContact CG-OH 3.38Å; P113-Y115 WeakPolarHBondContact O-CD2 3.49Å; P113-Y115 PolarHBondContact O-N 2.72Å; P113-Y115 VanDerWaalsContact O-N 3.07Å
114S64.1Low70.1Confident33 Ų3374.3 Ų74.323%0.23141%0.412CS..  trans-67.4110.6176.4-620000109.7N93 P112N93-S114 PolarHBondContact ND2-OG 2.89Å; N93-S114 PolarHBondContact OD1-OG 3.42Å; P112-S114 PolarHBondContact O-N 3.4Å
115Y82.2Confident72.6Confident99 Ų9970.5 Ų70.539%0.38838%0.384SS..  trans-81.5151.1175.3-58.2-61.1000111.4C89 P113 H119C89-Y115 PolarHBondContact N-O 2.97Å; P113-Y115 HydrophobicContact CB-CE1 4.26Å; P113-Y115 HydrophobicContact CG-CE1 3.95Å; P113-Y115 HydrophobicContact CG-CE2 4.27Å; P113-Y115 WeakPolarHBondContact CG-OH 3.38Å; P113-Y115 WeakPolarHBondContact O-CD2 3.49Å; P113-Y115 PolarHBondContact O-N 2.72Å; P113-Y115 VanDerWaalsContact O-N 3.07Å; Y115-H119 AromaticContact CD1-CD2 2.98Å; Y115-H119 WeakPolarHBondContact CD1-CD2 3.48Å; Y115-H119 AromaticContact CD1-CG 3.77Å; Y115-H119 AromaticContact CD1-NE2 3.27Å; Y115-H119 VanDerWaalsContact CD1-NE2 3.27Å; Y115-H119 WeakPolarHBondContact CD1-NE2 3.23Å; Y115-H119 AromaticContact CE1-CD2 3.53Å; Y115-H119 AromaticContact CE1-NE2 3.25Å; Y115-H119 VanDerWaalsContact CE1-NE2 3.25Å; Y115-H119 WeakPolarHBondContact CE1-NE2 3.5Å; Y115-H119 AromaticContact CG-CD2 3.51Å
116S90.8Very high75.2Confident18 Ų1868.5 Ų68.513%0.12637%0.372CS..BIsolated β-bridgetrans-83.3161.816668.50000110.3G85 L86 R87 C118 H119 F120G85-S116 WeakPolarHBondContact O-CB 3.37Å; L86-S116 VanDerWaalsContact C-CB 3.45Å; L86-S116 WeakPolarHBondContact O-CB 3.36Å; R87-S116 VanDerWaalsContact O-CA 3.29Å; R87-S116 WeakPolarHBondContact O-CA 3.48Å; R87-S116 VanDerWaalsContact O-CB 3.26Å; R87-S116 WeakPolarHBondContact O-CB 3.35Å; S116-C118 PolarHBondContact O-N 3.38Å; S116-H119 PolarHBondContact O-N 3.5Å; S116-H119 VanDerWaalsContact O-N 3.14Å; S116-H119 PolarHBondContact OG-N 3.48Å; S116-H119 VanDerWaalsContact OG-N 3.15Å; S116-F120 WeakPolarHBondContact O-CB 3.34Å; S116-F120 PolarHBondContact O-N 3.34Å
117S93.7Very high77.7Confident0 Ų066 Ų660%036%0.356CS..Hα-helixtrans-54.7-39.6173.4-43.40000111.4I52 G85 F120 L121I52-S117 PolarHBondContact N-OG 2.75Å; I52-S117 VanDerWaalsContact O-CB 3.3Å; I52-S117 WeakPolarHBondContact O-CB 3.42Å; I52-S117 PolarHBondContact O-OG 3Å; G85-S117 PolarHBondContact O-N 2.85Å; G85-S117 VanDerWaalsContact O-N 3.15Å; S117-F120 PolarHBondContact O-N 3.46Å; S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 WeakPolarHBondContact O-CD1 3.07Å; S117-L121 WeakPolarHBondContact O-CG 3.46Å; S117-L121 PolarHBondContact O-N 3.12Å
118C94.3Very high80.1Confident3 Ų364.4 Ų64.42%0.0235%0.352CS..Hα-helixtrans-65.1-44.5178.4-650000111.8G85 L86 S116 F120 L121 A122 L134 L217G85-C118 PolarHBondContact O-N 3.31Å; G85-C118 PolarHBondContact O-SG 3.29Å; L86-C118 HydrophobicContact CD2-CB 4.04Å; S116-C118 PolarHBondContact O-N 3.38Å; C118-F120 VanDerWaalsContact C-N 3.35Å; C118-L121 PolarHBondContact O-N 3.49Å; C118-A122 VanDerWaalsContact O-CB 3.3Å; C118-A122 WeakPolarHBondContact O-CB 3.42Å; C118-A122 PolarHBondContact O-N 3.32Å; C118-L134 WeakPolarHBondContact SG-CD1 3.47Å; C118-L217 HydrophobicContact CB-CD1 4.17Å; C118-L217 HydrophobicContact CB-CD2 4.19Å; C118-L217 WeakPolarHBondContact O-CD2 3.32Å
119H93Very high82.3Confident106 Ų10661.1 Ų61.149%0.49134%0.336SS..Hα-helixtrans-62.9-45.6177-17789000111.1Y115 S116 L121 A122 P123Y115-H119 AromaticContact CD1-CD2 2.98Å; Y115-H119 WeakPolarHBondContact CD1-CD2 3.48Å; Y115-H119 AromaticContact CD1-CG 3.77Å; Y115-H119 AromaticContact CD1-NE2 3.27Å; Y115-H119 VanDerWaalsContact CD1-NE2 3.27Å; Y115-H119 WeakPolarHBondContact CD1-NE2 3.23Å; Y115-H119 AromaticContact CE1-CD2 3.53Å; Y115-H119 AromaticContact CE1-NE2 3.25Å; Y115-H119 VanDerWaalsContact CE1-NE2 3.25Å; Y115-H119 WeakPolarHBondContact CE1-NE2 3.5Å; Y115-H119 AromaticContact CG-CD2 3.51Å; S116-H119 PolarHBondContact O-N 3.5Å; S116-H119 VanDerWaalsContact O-N 3.14Å; S116-H119 PolarHBondContact OG-N 3.48Å; S116-H119 VanDerWaalsContact OG-N 3.15Å; H119-L121 VanDerWaalsContact C-N 3.32Å; H119-L121 PolarHBondContact O-N 3.43Å; H119-A122 PolarHBondContact O-N 2.83Å; H119-P123 WeakPolarHBondContact O-CD 3.42Å
120F94.7Very high84.9Confident36 Ų3653.8 Ų53.816%0.15830%0.298CS..Hα-helixtrans-61.3-37.6179.8178.4-121.2000113.2G53 T54 E58 N59 V62 S116 S117 C118G53-F120 WeakPolarHBondContact O-CD1 3.47Å; G53-F120 WeakPolarHBondContact O-CE1 3.43Å; T54-F120 HydrophobicContact CG2-CB 3.59Å; T54-F120 HydrophobicContact CG2-CD1 4.06Å; T54-F120 HydrophobicContact CG2-CD2 4.48Å; T54-F120 HydrophobicContact CG2-CG 3.82Å; E58-F120 HydrophobicContact CB-CE1 4.01Å; E58-F120 HydrophobicContact CB-CZ 4.34Å; N59-F120 HydrophobicContact CB-CZ 4.27Å; V62-F120 HydrophobicContact CB-CE1 4.37Å; V62-F120 HydrophobicContact CB-CZ 4.26Å; V62-F120 HydrophobicContact CG2-CD1 4.37Å; V62-F120 HydrophobicContact CG2-CE1 3.52Å; V62-F120 HydrophobicContact CG2-CZ 3.91Å; S116-F120 WeakPolarHBondContact O-CB 3.34Å; S116-F120 PolarHBondContact O-N 3.34Å; S117-F120 PolarHBondContact O-N 3.46Å; C118-F120 VanDerWaalsContact C-N 3.35Å
121L96.9Very high87.3Confident0 Ų048 Ų480%028%0.276CS..Hα-helixtrans-94.2-12.8-177.3-60.1167.2000114.3I52 V62 I78 M80 S117 C118 H119 P123 L124 I132I52-L121 HydrophobicContact CB-CD1 4.33Å; I52-L121 HydrophobicContact CD1-CD1 3.88Å; I52-L121 HydrophobicContact CD1-CD2 4.31Å; I52-L121 HydrophobicContact CG1-CD1 4.26Å; V62-L121 HydrophobicContact CG2-CD2 3.57Å; I78-L121 HydrophobicContact CD1-CD1 4.44Å; I78-L121 HydrophobicContact CD1-CD2 4.31Å; I78-L121 HydrophobicContact CG2-CD1 4.5Å; M80-L121 HydrophobicContact CE-CD1 3.52Å; M80-L121 HydrophobicContact SD-CD1 3.84Å; S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 WeakPolarHBondContact O-CD1 3.07Å; S117-L121 WeakPolarHBondContact O-CG 3.46Å; S117-L121 PolarHBondContact O-N 3.12Å; C118-L121 PolarHBondContact O-N 3.49Å; H119-L121 VanDerWaalsContact C-N 3.32Å; H119-L121 PolarHBondContact O-N 3.43Å; L121-P123 VanDerWaalsContact C-CD 3.42Å; L121-P123 VanDerWaalsContact C-N 3.33Å; L121-L124 VanDerWaalsContact O-CB 3.23Å; L121-L124 WeakPolarHBondContact O-CB 3.24Å; L121-L124 PolarHBondContact O-N 3Å; L121-I132 HydrophobicContact CB-CD1 3.51Å; L121-I132 HydrophobicContact CD1-CD1 4.41Å; L121-I132 HydrophobicContact CG-CD1 4.49Å
122A96.4Very high89.7Confident6 Ų644.2 Ų44.25%0.0526%0.256CS..G310 helixtrans-53.2-42-17900000113.3C118 H119 L124 T125 L217C118-A122 VanDerWaalsContact O-CB 3.3Å; C118-A122 WeakPolarHBondContact O-CB 3.42Å; C118-A122 PolarHBondContact O-N 3.32Å; H119-A122 PolarHBondContact O-N 2.83Å; A122-L124 PolarHBondContact O-N 2.94Å; A122-T125 WeakPolarHBondContact O-CB 3.27Å; A122-T125 PolarHBondContact O-N 3.4Å; A122-T125 PolarHBondContact O-OG1 3.34Å; A122-L217 HydrophobicContact CB-CD2 4.32Å
123P95.6Very high91.9Very high82 Ų8241 Ų4153%0.53224%0.235SC..G310 helixtrans-57.3-32.6176.8-26.836.3000113.9H119 L121 T125 T126H119-P123 WeakPolarHBondContact O-CD 3.42Å; L121-P123 VanDerWaalsContact C-CD 3.42Å; L121-P123 VanDerWaalsContact C-N 3.33Å; P123-T125 PolarHBondContact O-N 2.8Å; P123-T126 WeakPolarHBondContact O-CB 2.94Å; P123-T126 WeakPolarHBondContact O-CG2 3.31Å; P123-T126 PolarHBondContact O-N 3Å; P123-T126 VanDerWaalsContact O-N 3.14Å; P123-T126 PolarHBondContact O-OG1 3.15Å
124L96.5Very high93.7Very high8 Ų837.1 Ų37.14%0.04221%0.21CC..G310 helixtrans-63.3-28.9179.9-163.465.1000112.2T66 L76 I78 L121 A122 T126 L127 V130T66-L124 WeakPolarHBondContact OG1-CD1 3.47Å; L76-L124 HydrophobicContact CD2-CD2 3.5Å; L76-L124 HydrophobicContact CD2-CG 4.22Å; I78-L124 HydrophobicContact CD1-CD2 4.14Å; L121-L124 VanDerWaalsContact O-CB 3.23Å; L121-L124 WeakPolarHBondContact O-CB 3.24Å; L121-L124 PolarHBondContact O-N 3Å; A122-L124 PolarHBondContact O-N 2.94Å; L124-T126 PolarHBondContact O-N 2.92Å; L124-L127 HydrophobicContact CD1-CD1 3.79Å; L124-L127 WeakPolarHBondContact O-CB 3.47Å; L124-L127 PolarHBondContact O-N 2.8Å; L124-L127 VanDerWaalsContact O-N 3.14Å; L124-V130 HydrophobicContact CB-CG1 4.45Å; L124-V130 HydrophobicContact CD2-CG1 4.33Å; L124-V130 HydrophobicContact CG-CG1 3.99Å; L124-V130 HydrophobicContact CG-CG2 4.26Å; L124-V130 WeakPolarHBondContact O-CG2 3.45Å
125T97.4Very high95.2Very high26 Ų2635.5 Ų35.516%0.1620%0.199CC..G310 helixtrans-71.5-4.4178.970.50000114A122 P123 L127 I132 L217 R218 S219A122-T125 WeakPolarHBondContact O-CB 3.27Å; A122-T125 PolarHBondContact O-N 3.4Å; A122-T125 PolarHBondContact O-OG1 3.34Å; P123-T125 PolarHBondContact O-N 2.8Å; T125-L127 VanDerWaalsContact C-N 3.3Å; T125-I132 HydrophobicContact CG2-CB 4.23Å; T125-I132 HydrophobicContact CG2-CD1 3.69Å; T125-I132 HydrophobicContact CG2-CG1 3.87Å; T125-L217 HydrophobicContact CG2-CD2 4.48Å; T125-L217 HydrophobicContact CG2-CG 4.42Å; T125-R218 VanDerWaalsContact OG1-C 3.3Å; T125-S219 WeakPolarHBondContact OG1-CA 3.38Å; T125-S219 PolarHBondContact OG1-N 3.11Å
126T97Very high95.5Very high95 Ų9534 Ų3458%0.58319%0.192SC*.G310 helixtrans-74.8-22.2169.961.90000112.6P123 L124P123-T126 WeakPolarHBondContact O-CB 2.94Å; P123-T126 WeakPolarHBondContact O-CG2 3.31Å; P123-T126 PolarHBondContact O-N 3Å; P123-T126 VanDerWaalsContact O-N 3.14Å; P123-T126 PolarHBondContact O-OG1 3.15Å; L124-T126 PolarHBondContact O-N 2.92Å
127L97.2Very high95.3Very high24 Ų2433.3 Ų33.313%0.12619%0.187CC..SBendtrans-76.8145.9179.2-57.7177.3000110.8T66 V69 R70 L124 T125 V130T66-L127 HydrophobicContact CG2-CD1 4.15Å; V69-L127 HydrophobicContact CB-CD1 4.15Å; V69-L127 HydrophobicContact CG1-CB 3.93Å; V69-L127 HydrophobicContact CG1-CD1 3.93Å; R70-L127 HydrophobicContact CG-CD1 4.33Å; R70-L127 HydrophobicContact CG-CD2 4.12Å; L124-L127 HydrophobicContact CD1-CD1 3.79Å; L124-L127 WeakPolarHBondContact O-CB 3.47Å; L124-L127 PolarHBondContact O-N 2.8Å; L124-L127 VanDerWaalsContact O-N 3.14Å; T125-L127 VanDerWaalsContact C-N 3.3Å; L127-V130 HydrophobicContact CB-CG2 3.79Å; L127-V130 HydrophobicContact CD1-CG2 4.44Å
128P91.7Very high94.7Very high93 Ų9334.7 Ų34.760%0.60420%0.196SC*.THydrogen-bonded Turntrans-60.9152.9169.229.1-34.7000109.9V69 V130V69-P128 WeakPolarHBondContact CG1-O 3.36Å; P128-V130 PolarHBondContact O-N 3.43Å; P128-V130 VanDerWaalsContact O-N 3.13Å
129N95.3Very high93.5Very high78 Ų7835.9 Ų35.942%0.41720%0.201SC..THydrogen-bonded Turntrans64.210.5177.3-57.4-35.7000116.8N73 L76N73-N129 PolarHBondContact OD1-ND2 2.82Å; L76-N129 PolarHBondContact N-O 2.75Å
130V98.5Very high91.8Very high16 Ų1633.9 Ų33.910%0.09720%0.197CC..EExtended strand (participates in β ladder)trans-95.5132.1170.8178.70000110.6V69 L76 L124 L127 P128 I132V69-V130 HydrophobicContact CG1-CG2 4.01Å; V69-V130 HydrophobicContact CG2-CG2 3.98Å; L76-V130 HydrophobicContact CB-CG2 4.21Å; L76-V130 HydrophobicContact CD2-CG1 4.39Å; L76-V130 HydrophobicContact CD2-CG2 4.24Å; L76-V130 CarbonylContact O-C 3.55Å; L76-V130 WeakPolarHBondContact O-CA 3.42Å; L124-V130 HydrophobicContact CB-CG1 4.45Å; L124-V130 HydrophobicContact CD2-CG1 4.33Å; L124-V130 HydrophobicContact CG-CG1 3.99Å; L124-V130 HydrophobicContact CG-CG2 4.26Å; L124-V130 WeakPolarHBondContact O-CG2 3.45Å; L127-V130 HydrophobicContact CB-CG2 3.79Å; L127-V130 HydrophobicContact CD1-CG2 4.44Å; P128-V130 PolarHBondContact O-N 3.43Å; P128-V130 VanDerWaalsContact O-N 3.13Å; V130-I132 HydrophobicContact CG1-CG1 4.18Å
131S98.3Very high90Very high49 Ų4938.8 Ų38.834%0.34322%0.216SC..EExtended strand (participates in β ladder)trans-135120.7172.4-69.10000110.8L76 T77 I78L76-S131 PolarHBondContact O-N 2.98Å; T77-S131 CarbonylContact C-O 3.52Å; T77-S131 VanDerWaalsContact CA-O 3.23Å; T77-S131 WeakPolarHBondContact CA-O 3.29Å; I78-S131 PolarHBondContact N-O 3.2Å
132I98.6Very high88Confident0 Ų047.2 Ų47.20%025%0.252CS..EExtended strand (participates in β ladder)trans-110.7111.8176.3-57.1-174.3000108.6I78 M80 L121 T125 V130 T216 L217I78-I132 HydrophobicContact CB-CG1 4.21Å; I78-I132 HydrophobicContact CB-CG2 4.42Å; I78-I132 HydrophobicContact CD1-CD1 4.32Å; I78-I132 HydrophobicContact CD1-CG1 4.43Å; I78-I132 CarbonylContact O-C 3.59Å; I78-I132 WeakPolarHBondContact O-CA 3.38Å; M80-I132 HydrophobicContact CE-CG2 4.04Å; L121-I132 HydrophobicContact CB-CD1 3.51Å; L121-I132 HydrophobicContact CD1-CD1 4.41Å; L121-I132 HydrophobicContact CG-CD1 4.49Å; T125-I132 HydrophobicContact CG2-CB 4.23Å; T125-I132 HydrophobicContact CG2-CD1 3.69Å; T125-I132 HydrophobicContact CG2-CG1 3.87Å; V130-I132 HydrophobicContact CG1-CG1 4.18Å; I132-T216 WeakPolarHBondContact O-CA 3.42Å; I132-L217 HydrophobicContact CB-CB 4.04Å; I132-L217 HydrophobicContact CB-CD2 4.25Å; I132-L217 HydrophobicContact CD1-CD2 4.21Å; I132-L217 HydrophobicContact CG2-CB 4.06Å; I132-L217 HydrophobicContact CG2-CD2 3.91Å; I132-L217 PolarHBondContact O-N 2.82Å
133L98.6Very high85.8Confident7 Ų754.8 Ų54.84%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-100.5133.5-176.2-57.2176.4000109.8T77 I78 L79 M80 I206 C214 Y215T77-L133 HydrophobicContact CG2-CD1 3.83Å; T77-L133 HydrophobicContact CG2-CG 4.29Å; I78-L133 PolarHBondContact O-N 3.17Å; L79-L133 CarbonylContact C-O 3.47Å; L79-L133 WeakPolarHBondContact CA-O 3.47Å; L79-L133 HydrophobicContact CD1-CB 3.94Å; M80-L133 PolarHBondContact N-O 3.32Å; L133-I206 HydrophobicContact CD1-CG2 4.22Å; L133-C214 HydrophobicContact CB-CB 4.12Å; L133-C214 HydrophobicContact CD2-CB 4.45Å; L133-Y215 CarbonylContact C-O 3.53Å; L133-Y215 WeakPolarHBondContact CA-O 3.36Å
134L97.4Very high83.7Confident0 Ų052.5 Ų52.50%026%0.263CS..EExtended strand (participates in β ladder)trans-119.7107.2176.6-61.5179.7000109.2M80 A82 C118 C214 Y215 L223M80-L134 HydrophobicContact CB-CD2 3.88Å; M80-L134 HydrophobicContact CE-CD2 3.76Å; M80-L134 CarbonylContact O-C 3.51Å; M80-L134 WeakPolarHBondContact O-CA 3.44Å; A82-L134 HydrophobicContact CB-CB 3.94Å; C118-L134 WeakPolarHBondContact SG-CD1 3.47Å; L134-C214 WeakPolarHBondContact O-CA 3.28Å; L134-Y215 PolarHBondContact N-O 3.48Å; L134-Y215 PolarHBondContact O-N 3.19Å; L134-L223 HydrophobicContact CD1-CD1 3.66Å; L134-L223 HydrophobicContact CD1-CD2 3.31Å; L134-L223 HydrophobicContact CD1-CG 4.12Å
135Y95.9Very high81.4Confident0 Ų056.4 Ų56.40%028%0.277CS..EExtended strand (participates in β ladder)trans-72.1132.5169.3-177.6-99.6000109.5M80 A82 H137 Q159 I210 F213 F238 F242 Y280M80-Y135 PolarHBondContact O-N 3.44Å; A82-Y135 VanDerWaalsContact CB-O 3.28Å; A82-Y135 WeakPolarHBondContact CB-O 3.26Å; A82-Y135 PolarHBondContact N-O 3.45Å; Y135-H137 HydrophobicContact CE1-CB 4.45Å; Y135-Q159 HydrophobicContact CD1-CB 3.69Å; Y135-Q159 HydrophobicContact CG-CB 3.95Å; Y135-I210 HydrophobicContact CD2-CG2 4.11Å; Y135-F213 HydrophobicContact CD2-CB 4.23Å; Y135-F213 HydrophobicContact CE2-CB 3.86Å; Y135-F238 HydrophobicContact CE2-CZ 4.28Å; Y135-F238 WeakPolarHBondContact OH-CZ 3.16Å; Y135-F242 HydrophobicContact CE2-CD2 4.48Å; Y135-F242 AromaticContact CE2-CE2 3.86Å; Y135-F242 HydrophobicContact CE2-CE2 3.86Å; Y135-Y280 VanDerWaalsContact OH-CE1 3.31Å; Y135-Y280 WeakPolarHBondContact OH-CE1 3.47Å; Y135-Y280 VanDerWaalsContact OH-CZ 3.24Å; Y135-Y280 PolarHBondContact OH-OH 3.45Å
136R88.8Confident79.1Confident66 Ų6663.9 Ų63.925%0.24930%0.303CS..  trans-122.8116.4176.5-177.1177.6174.2-177.5-3.6109.2A82 R145 Y215A82-R136 HydrophobicContact CB-CB 3.82Å; A82-R136 HydrophobicContact CB-CG 4.24Å; R136-R145 VanDerWaalsContact NH2-NH1 3.11Å; R136-Y215 HydrophobicContact CB-CD2 4.07Å; R136-Y215 HydrophobicContact CB-CE2 3.77Å; R136-Y215 HydrophobicContact CG-CE2 4.38Å
137H86.7Confident76.3Confident5 Ų566.1 Ų66.12%0.02331%0.309CS..PPolyproline II helixtrans-58.8129.6171.1-163.3-71.7000110.1Y135 F139 F156 G157 Y280 Y282Y135-H137 HydrophobicContact CE1-CB 4.45Å; H137-F139 PolarHBondContact O-N 3.49Å; H137-F156 PolarHBondContact CE1-O 2.98Å; H137-F156 PolarHBondContact NE2-O 2.89Å; H137-G157 WeakPolarHBondContact CB-O 3.37Å; H137-Y280 PolarHBondContact CD2-OH 2.76Å; H137-Y280 PolarHBondContact NE2-OH 3.23Å; H137-Y282 AromaticContact CE1-CD1 3.85Å; H137-Y282 AromaticContact CE1-CD2 3.71Å; H137-Y282 AromaticContact CE1-CE1 3.91Å; H137-Y282 AromaticContact CE1-CE2 3.77Å; H137-Y282 AromaticContact CE1-CG 3.75Å; H137-Y282 AromaticContact CE1-CZ 3.86Å; H137-Y282 AromaticContact NE2-CD1 3.62Å; H137-Y282 AromaticContact NE2-CD2 3.88Å; H137-Y282 AromaticContact NE2-CG 3.49Å
138P80.4Confident73.9Confident28 Ų2867.5 Ų67.518%0.18232%0.316CS..PPolyproline II helixtrans-63.5132.3173.526.3-35.2000110.2F238 Y282P138-F238 HydrophobicContact CG-CD1 3.76Å; P138-F238 HydrophobicContact CG-CE1 3.75Å; P138-F238 HydrophobicContact CG-CG 4.22Å; P138-F238 HydrophobicContact CG-CZ 4.19Å; P138-Y282 HydrophobicContact CG-CD1 4.49Å; P138-Y282 HydrophobicContact CG-CE1 3.41Å; P138-Y282 VanDerWaalsContact CG-CE1 3.41Å; P138-Y282 VanDerWaalsContact CG-OH 3.23Å; P138-Y282 WeakPolarHBondContact CG-OH 3.06Å
139F68.1Low72.1Confident28 Ų2867 Ų6712%0.12331%0.313CS..PPolyproline II helixtrans-85.1136.9174.4-72.8-92.5000109.1T83 H137 Y141 R145 N153 F156T83-F139 HydrophobicContact CG2-CZ 4.31Å; H137-F139 PolarHBondContact O-N 3.49Å; F139-Y141 PolarHBondContact O-N 2.69Å; F139-R145 HydrophobicContact CD1-CB 4.48Å; F139-R145 HydrophobicContact CE1-CB 4.49Å; F139-R145 HydrophobicContact CZ-CG 4.35Å; F139-N153 HydrophobicContact CE1-CB 3.98Å; F139-N153 HydrophobicContact CZ-CB 3.92Å; F139-F156 AromaticContact CD1-CD2 3.67Å; F139-F156 HydrophobicContact CD1-CD2 3.67Å; F139-F156 AromaticContact CD1-CE2 3.98Å; F139-F156 HydrophobicContact CD1-CE2 3.98Å; F139-F156 HydrophobicContact CD1-CG 4.33Å; F139-F156 AromaticContact CE1-CD2 3.66Å; F139-F156 HydrophobicContact CE1-CD2 3.66Å; F139-F156 HydrophobicContact CE1-CE2 4.12Å
140P59Low70Confident64 Ų6468.4 Ų68.442%0.41632%0.321SS..SBendtrans-61.1-32.6175.923.7-31.8000111.5F156P140-F156 HydrophobicContact CG-CD1 3.9Å; P140-F156 HydrophobicContact CG-CE1 3.66Å; P140-F156 HydrophobicContact CG-CZ 4.42Å
141Y54.9Low68Low139 Ų13972.2 Ų72.255%0.54533%0.333SS..  trans-139.4119.9176.9-56.6-78.8000110.5F139 W143 I144F139-Y141 PolarHBondContact O-N 2.69Å; Y141-W143 AromaticContact CD1-NE1 3.88Å; Y141-W143 AromaticContact CG-NE1 3.8Å; Y141-W143 PolarHBondContact O-N 3.46Å; Y141-I144 HydrophobicContact CD2-CD1 3.51Å; Y141-I144 HydrophobicContact CD2-CG1 4.47Å; Y141-I144 HydrophobicContact CE2-CD1 4.48Å; Y141-I144 HydrophobicContact CG-CD1 4.05Å; Y141-I144 PolarHBondContact O-N 3.19Å
142K55.7Low66.2Low177 Ų17774.2 Ų74.277%0.7733%0.333SS*.THydrogen-bonded Turntrans-58.3-30.1-179.2-69.3179.5-178.31730112.7R145 Y146K142-R145 WeakPolarHBondContact O-CB 3.2Å; K142-Y146 WeakPolarHBondContact O-CD2 3.24Å; K142-Y146 WeakPolarHBondContact O-CE2 3.33Å
143W49.4Very low64.2Low165 Ų16574.6 Ų74.663%0.62534%0.335SS*.THydrogen-bonded Turntrans-72.2-34.3-179.167.3-98000113.3Y141 R145 Y146 M147Y141-W143 AromaticContact CD1-NE1 3.88Å; Y141-W143 AromaticContact CG-NE1 3.8Å; Y141-W143 PolarHBondContact O-N 3.46Å; W143-R145 PolarHBondContact O-N 2.78Å; W143-Y146 PolarHBondContact O-N 3.37Å; W143-M147 HydrophobicContact CE3-CG 4.08Å; W143-M147 HydrophobicContact CZ3-CG 4.18Å
144I52.3Low62.9Low34 Ų3475.7 Ų75.717%0.17434%0.34CS..Hα-helixtrans-59.2-32.2178.7-69.4179.1000111.4Y141 Y146 M147 L148 F156Y141-I144 HydrophobicContact CD2-CD1 3.51Å; Y141-I144 HydrophobicContact CD2-CG1 4.47Å; Y141-I144 HydrophobicContact CE2-CD1 4.48Å; Y141-I144 HydrophobicContact CG-CD1 4.05Å; Y141-I144 PolarHBondContact O-N 3.19Å; I144-Y146 PolarHBondContact O-N 3.24Å; I144-M147 PolarHBondContact O-N 3.38Å; I144-L148 HydrophobicContact CG2-CD1 3.59Å; I144-L148 HydrophobicContact CG2-CG 4.05Å; I144-L148 PolarHBondContact O-N 3.14Å; I144-L148 VanDerWaalsContact O-N 3.17Å; I144-F156 HydrophobicContact CG2-CE2 4.12Å; I144-F156 HydrophobicContact CG2-CZ 3.88Å
145R47.4Very low61.7Low91 Ų9177.2 Ų77.234%0.34335%0.348SS..Hα-helixtrans-55.8-35.4175.6-175.1-173.6177.2-161.12.5113R136 F139 K142 W143 M147R136-R145 VanDerWaalsContact NH2-NH1 3.11Å; F139-R145 HydrophobicContact CD1-CB 4.48Å; F139-R145 HydrophobicContact CE1-CB 4.49Å; F139-R145 HydrophobicContact CZ-CG 4.35Å; K142-R145 WeakPolarHBondContact O-CB 3.2Å; W143-R145 PolarHBondContact O-N 2.78Å; R145-M147 VanDerWaalsContact C-N 3.34Å
146Y50.7Low60.9Low182 Ų18278.6 Ų78.671%0.71435%0.354SS*.Hα-helixtrans-82-16.6-178.9-61.5-82.9000112.5K142 W143 I144K142-Y146 WeakPolarHBondContact O-CD2 3.24Å; K142-Y146 WeakPolarHBondContact O-CE2 3.33Å; W143-Y146 PolarHBondContact O-N 3.37Å; I144-Y146 PolarHBondContact O-N 3.24Å
147M37.5Very low60.9Low143 Ų14375.4 Ų75.470%0.70434%0.342SS*.Hα-helixtrans-92.1-27.2-178.9-68.5-76.511300113W143 I144 R145W143-M147 HydrophobicContact CE3-CG 4.08Å; W143-M147 HydrophobicContact CZ3-CG 4.18Å; I144-M147 PolarHBondContact O-N 3.38Å; R145-M147 VanDerWaalsContact C-N 3.34Å
148L47.2Very low61.2Low53 Ų5375.3 Ų75.328%0.27734%0.342SS..SBendtrans-94.7135-176.3-72.7178.5000112I144 W152 F156I144-L148 HydrophobicContact CG2-CD1 3.59Å; I144-L148 HydrophobicContact CG2-CG 4.05Å; I144-L148 PolarHBondContact O-N 3.14Å; I144-L148 VanDerWaalsContact O-N 3.17Å; L148-W152 HydrophobicContact CB-CB 3.89Å; L148-W152 HydrophobicContact CD1-CB 4.19Å; L148-W152 HydrophobicContact CD2-CB 4.06Å; L148-W152 HydrophobicContact CD2-CG 4.47Å; L148-W152 HydrophobicContact CG-CB 4.27Å; L148-F156 HydrophobicContact CD1-CE2 3.89Å; L148-F156 HydrophobicContact CD1-CZ 4.3Å
149P54Low61.9Low83 Ų8374 Ų7454%0.53933%0.333SS..  trans-56.9146.9170.2-1928.5000110.5R151 W152P149-R151 PolarHBondContact O-N 2.78Å; P149-W152 WeakPolarHBondContact O-CB 3.35Å; P149-W152 PolarHBondContact O-N 2.94Å
150N51Low63.2Low107 Ų10772.9 Ų72.957%0.57233%0.329SS*.THydrogen-bonded Turntrans-49.1-30.1-172.4-72.7-28.5000115.7W152 N153N150-W152 VanDerWaalsContact C-N 3.31Å; N150-W152 PolarHBondContact O-N 3.02Å; N150-N153 PolarHBondContact O-N 3.36Å
151R57.2Low65.1Low95 Ų9569.9 Ų69.936%0.35831%0.309SS..THydrogen-bonded Turntrans-63.1-31.6174.1-77.7179.9-176.2176.90.6114.1P149 E154 S375P149-R151 PolarHBondContact O-N 2.78Å; R151-E154 WeakPolarHBondContact O-CB 3.47Å; R151-E154 WeakPolarHBondContact O-CG 3.35Å; R151-S375 PolarHBondContact NH1-OG 3.48Å; R151-S375 VanDerWaalsContact NH1-OG 3.16Å
152W58.6Low67.2Low91 Ų9163.2 Ų63.235%0.34528%0.283SS..THydrogen-bonded Turntrans-84.3-17.3-176-70.682.8000112.6L148 P149 N150 E154 I155 A374 F520L148-W152 HydrophobicContact CB-CB 3.89Å; L148-W152 HydrophobicContact CD1-CB 4.19Å; L148-W152 HydrophobicContact CD2-CB 4.06Å; L148-W152 HydrophobicContact CD2-CG 4.47Å; L148-W152 HydrophobicContact CG-CB 4.27Å; P149-W152 WeakPolarHBondContact O-CB 3.35Å; P149-W152 PolarHBondContact O-N 2.94Å; N150-W152 VanDerWaalsContact C-N 3.31Å; N150-W152 PolarHBondContact O-N 3.02Å; W152-E154 PolarHBondContact O-N 3.48Å; W152-I155 HydrophobicContact CB-CD1 4.03Å; W152-I155 HydrophobicContact CD2-CD1 3.69Å; W152-I155 HydrophobicContact CE3-CD1 3Å; W152-I155 HydrophobicContact CE3-CG1 4.5Å; W152-I155 HydrophobicContact CG-CD1 4.18Å; W152-I155 HydrophobicContact CZ3-CD1 3.55Å; W152-I155 VanDerWaalsContact O-CB 3.22Å; W152-I155 WeakPolarHBondContact O-CB 3.2Å; W152-I155 WeakPolarHBondContact O-CG1 3.48Å; W152-I155 PolarHBondContact O-N 3.48Å; W152-I155 VanDerWaalsContact O-N 3.16Å; W152-A374 HydrophobicContact CZ2-CB 3.73Å; W152-F520 HydrophobicContact CH2-CE1 4.28Å
153N57.8Low69.2Low9 Ų954.8 Ų54.85%0.04825%0.246CC..G310 helixtrans-63.3-26.4172.8-74.6-29000112.2F139 N150 I155 F156F139-N153 HydrophobicContact CE1-CB 3.98Å; F139-N153 HydrophobicContact CZ-CB 3.92Å; N150-N153 PolarHBondContact O-N 3.36Å; N153-I155 PolarHBondContact O-N 3.13Å; N153-F156 PolarHBondContact O-N 3.29Å
154E70.9Confident71.6Confident30 Ų3047 Ų4714%0.1422%0.216CC..G310 helixtrans-64.7-19.2177.4-54.9173.7-155.600112.3R84 R87 R151 W152 F156 G157 V158R84-E154 WeakPolarHBondContact CD-OE1 3.35Å; R84-E154 WeakPolarHBondContact CD-OE2 3.49Å; R84-E154 IonicContact NE-OE1 3.73Å; R84-E154 IonicContact NE-OE2 2.82Å; R87-E154 IonicContact NH1-OE1 3.62Å; R87-E154 PolarHBondContact NH1-OE1 3.32Å; R87-E154 VanDerWaalsContact NH1-OE1 3.13Å; R151-E154 WeakPolarHBondContact O-CB 3.47Å; R151-E154 WeakPolarHBondContact O-CG 3.35Å; W152-E154 PolarHBondContact O-N 3.48Å; E154-F156 PolarHBondContact O-N 2.87Å; E154-G157 PolarHBondContact O-N 3.14Å; E154-V158 HydrophobicContact CB-CG1 4.31Å
155I72.1Confident73.8Confident31 Ų3145.3 Ų45.316%0.15921%0.208CC..G310 helixtrans-68.6-23.1-176.6-70.5168.6000112.8W152 N153 G157 R461 Y523W152-I155 HydrophobicContact CB-CD1 4.03Å; W152-I155 HydrophobicContact CD2-CD1 3.69Å; W152-I155 HydrophobicContact CE3-CD1 3Å; W152-I155 HydrophobicContact CE3-CG1 4.5Å; W152-I155 HydrophobicContact CG-CD1 4.18Å; W152-I155 HydrophobicContact CZ3-CD1 3.55Å; W152-I155 VanDerWaalsContact O-CB 3.22Å; W152-I155 WeakPolarHBondContact O-CB 3.2Å; W152-I155 WeakPolarHBondContact O-CG1 3.48Å; W152-I155 PolarHBondContact O-N 3.48Å; W152-I155 VanDerWaalsContact O-N 3.16Å; N153-I155 PolarHBondContact O-N 3.13Å; I155-G157 VanDerWaalsContact C-N 3.32Å; I155-R461 WeakPolarHBondContact O-CD 3.37Å; I155-Y523 HydrophobicContact CG2-CD1 3.1Å; I155-Y523 HydrophobicContact CG2-CE1 3.91Å; I155-Y523 HydrophobicContact CG2-CG 3.54Å
156F80.2Confident76.2Confident29 Ų2941.3 Ų41.313%0.12719%0.193CC..G310 helixtrans-74.7-27179.4-67.6-71.9000112.6H137 F139 P140 I144 L148 N153 E154 R461H137-F156 PolarHBondContact CE1-O 2.98Å; H137-F156 PolarHBondContact NE2-O 2.89Å; F139-F156 AromaticContact CD1-CD2 3.67Å; F139-F156 HydrophobicContact CD1-CD2 3.67Å; F139-F156 AromaticContact CD1-CE2 3.98Å; F139-F156 HydrophobicContact CD1-CE2 3.98Å; F139-F156 HydrophobicContact CD1-CG 4.33Å; F139-F156 AromaticContact CE1-CD2 3.66Å; F139-F156 HydrophobicContact CE1-CD2 3.66Å; F139-F156 HydrophobicContact CE1-CE2 4.12Å; P140-F156 HydrophobicContact CG-CD1 3.9Å; P140-F156 HydrophobicContact CG-CE1 3.66Å; P140-F156 HydrophobicContact CG-CZ 4.42Å; I144-F156 HydrophobicContact CG2-CE2 4.12Å; I144-F156 HydrophobicContact CG2-CZ 3.88Å; L148-F156 HydrophobicContact CD1-CE2 3.89Å; L148-F156 HydrophobicContact CD1-CZ 4.3Å; N153-F156 PolarHBondContact O-N 3.29Å; E154-F156 PolarHBondContact O-N 2.87Å; F156-R461 PolarHBondContact O-NH1 3.28Å
157G88.2Confident78.5Confident0 Ų034 Ų340%017%0.166CC..  trans136.7152.4-178.700000111.1H137 E154 I155 D462H137-G157 WeakPolarHBondContact CB-O 3.37Å; E154-G157 PolarHBondContact O-N 3.14Å; I155-G157 VanDerWaalsContact C-N 3.32Å; G157-D462 WeakPolarHBondContact CA-OD1 3.49Å
158V93Very high81.4Confident3 Ų329.6 Ų29.62%0.01815%0.146CC..  trans-133.9159.6178.5-67.40000112.1L50 D81 E154 H160 D462 L463L50-V158 HydrophobicContact CD1-CB 3.83Å; L50-V158 HydrophobicContact CD1-CG1 4.36Å; L50-V158 HydrophobicContact CD1-CG2 3.78Å; D81-V158 HydrophobicContact CB-CB 4.42Å; D81-V158 WeakPolarHBondContact OD1-CA 3.22Å; D81-V158 WeakPolarHBondContact OD1-CB 3.23Å; E154-V158 HydrophobicContact CB-CG1 4.31Å; V158-H160 HydrophobicContact CG2-CB 4.19Å; V158-H160 PolarHBondContact O-N 3.19Å; V158-D462 WeakPolarHBondContact CG2-OD1 3.47Å; V158-D462 PolarHBondContact N-OD1 2.95Å; V158-D462 WeakPolarHBondContact O-CA 3.17Å; V158-L463 PolarHBondContact O-N 2.94Å
159Q95.2Very high83.9Confident0 Ų027.5 Ų27.50%014%0.136CC..BIsolated β-bridgetrans-65.8126.9157.2175.5-76.8-16.900107.5S48 T49 L50 L79 D81 Y135 I161S48-Q159 PolarHBondContact OG-NE2 3.06Å; T49-Q159 PolarHBondContact O-OE1 3.21Å; L50-Q159 WeakPolarHBondContact CD1-O 2.99Å; L79-Q159 HydrophobicContact CD2-CG 4.3Å; L79-Q159 HydrophobicContact CG-CG 4.34Å; D81-Q159 HydrophobicContact CB-CB 4.23Å; D81-Q159 PolarHBondContact OD1-N 2.87Å; D81-Q159 VanDerWaalsContact OD1-N 3.16Å; Y135-Q159 HydrophobicContact CD1-CB 3.69Å; Y135-Q159 HydrophobicContact CG-CB 3.95Å; Q159-I161 PolarHBondContact NE2-O 3.14Å
160H95.3Very high86Confident5 Ų523.6 Ų23.62%0.02311%0.11CC..  trans-134.511.5-174.7-157.5-122.1000113.8V158 K162 S451 D462 L463 E464V158-H160 HydrophobicContact CG2-CB 4.19Å; V158-H160 PolarHBondContact O-N 3.19Å; H160-K162 PolarHBondContact CD2-NZ 3.13Å; H160-K162 VanDerWaalsContact CD2-NZ 3.32Å; H160-K162 WeakPolarHBondContact O-CD 3.23Å; H160-K162 VanDerWaalsContact O-CE 3.29Å; H160-K162 WeakPolarHBondContact O-CE 3.24Å; H160-K162 PolarHBondContact O-NZ 3.19Å; H160-S451 WeakPolarHBondContact O-CB 3.35Å; H160-S451 PolarHBondContact O-OG 3.15Å; H160-D462 HydrophobicContact CB-CB 4.14Å; H160-L463 WeakPolarHBondContact CA-O 3.47Å; H160-L463 PolarHBondContact N-O 2.9Å; H160-E464 HydrophobicContact CB-CG 4.06Å; H160-E464 IonicContact CE1-OE1 2.67Å; H160-E464 IonicContact CG-OE1 3.42Å; H160-E464 IonicContact ND1-OE1 2.82Å; H160-E464 PolarHBondContact ND1-OE1 2.72Å
161I98.4Very high88.3Confident0 Ų018.5 Ų18.50%08%0.083CC..  trans-65.6135.2171.1-57.3172.8000110.2S48 Q159 A163 Y202 L205 I210 L463S48-I161 CarbonylContact C-O 3.56Å; S48-I161 PolarHBondContact OG-O 3.42Å; Q159-I161 PolarHBondContact NE2-O 3.14Å; I161-A163 HydrophobicContact CG2-CB 4.01Å; I161-Y202 HydrophobicContact CG2-CE1 4.38Å; I161-L205 HydrophobicContact CD1-CD2 3.99Å; I161-I210 HydrophobicContact CD1-CD1 3.87Å; I161-L463 HydrophobicContact CD1-CG 4.31Å; I161-L463 PolarHBondContact N-O 2.86Å
162K98.3Very high90.2Very high0 Ų014 Ų140%07%0.066CC..  trans-123.392.6166.1-59.597.7-174.266.70110.5S48 H160 Y164 M172 S173 G174 A175 N176 S451S48-K162 VanDerWaalsContact O-CA 3.26Å; S48-K162 WeakPolarHBondContact O-CA 3.44Å; H160-K162 PolarHBondContact CD2-NZ 3.13Å; H160-K162 VanDerWaalsContact CD2-NZ 3.32Å; H160-K162 WeakPolarHBondContact O-CD 3.23Å; H160-K162 VanDerWaalsContact O-CE 3.29Å; H160-K162 WeakPolarHBondContact O-CE 3.24Å; H160-K162 PolarHBondContact O-NZ 3.19Å; K162-Y164 HydrophobicContact CB-CE2 4.4Å; K162-M172 VanDerWaalsContact O-SD 3.39Å; K162-S173 WeakPolarHBondContact CB-O 3.1Å; K162-S173 PolarHBondContact O-N 3.37Å; K162-G174 WeakPolarHBondContact CD-O 3.32Å; K162-A175 WeakPolarHBondContact CG-O 3.36Å; K162-N176 WeakPolarHBondContact CE-OD1 3.47Å; K162-N176 PolarHBondContact NZ-OD1 2.81Å; K162-S451 WeakPolarHBondContact CD-OG 3.34Å; K162-S451 PolarHBondContact N-OG 2.92Å
163A98.6Very high92.1Very high0 Ų09.6 Ų9.60%05%0.049CC..EExtended strand (participates in β ladder)trans-135.2125.6179.100000108.1S48 I161 I165 I171 M172 Y202S48-A163 WeakPolarHBondContact CB-O 3.45Å; S48-A163 PolarHBondContact N-O 3.25Å; S48-A163 PolarHBondContact O-N 3.23Å; I161-A163 HydrophobicContact CG2-CB 4.01Å; A163-I165 HydrophobicContact CB-CD1 4.37Å; A163-I171 WeakPolarHBondContact CA-O 3.46Å; A163-M172 HydrophobicContact CB-CE 3.81Å; A163-Y202 HydrophobicContact CB-CD1 3.96Å; A163-Y202 HydrophobicContact CB-CD2 4.34Å; A163-Y202 HydrophobicContact CB-CE1 4.21Å; A163-Y202 HydrophobicContact CB-CG 4.05Å
164Y98.9Very high93.8Very high0 Ų09.2 Ų9.20%05%0.047CC..EExtended strand (participates in β ladder)trans-118.8112.3-176.1-45.9-67.4000108.8L34 I46 L47 S48 K162 V170 I171 A175 L177L34-Y164 HydrophobicContact CD2-CD2 4.16Å; L34-Y164 HydrophobicContact CD2-CG 4.09Å; I46-Y164 CarbonylContact O-C 3.54Å; I46-Y164 WeakPolarHBondContact O-CA 3.36Å; L47-Y164 HydrophobicContact CB-CD1 4.1Å; L47-Y164 HydrophobicContact CD2-CD1 3.82Å; L47-Y164 HydrophobicContact CD2-CG 4.32Å; S48-Y164 WeakPolarHBondContact O-CE1 3.22Å; K162-Y164 HydrophobicContact CB-CE2 4.4Å; Y164-V170 CarbonylContact O-C 3.44Å; Y164-V170 WeakPolarHBondContact O-CA 3.16Å; Y164-I171 HydrophobicContact CD2-CB 4.1Å; Y164-I171 HydrophobicContact CD2-CG2 4.15Å; Y164-I171 PolarHBondContact N-O 3.34Å; Y164-I171 PolarHBondContact O-N 3.21Å; Y164-A175 PolarHBondContact OH-O 3.28Å; Y164-L177 HydrophobicContact CD1-CD1 4.24Å; Y164-L177 HydrophobicContact CD1-CD2 4.41Å; Y164-L177 HydrophobicContact CE1-CD1 3.66Å; Y164-L177 HydrophobicContact CE1-CD2 3.71Å; Y164-L177 HydrophobicContact CE1-CG 3.7Å; Y164-L177 HydrophobicContact CE2-CD2 4.17Å
165I98.9Very high94.9Very high0 Ų07.8 Ų7.80%04%0.041CC..EExtended strand (participates in β ladder)trans-106.4130.2-172.9-55.191.9000108.9I45 I46 A163 S169 V170 A199 I206I45-I165 CarbonylContact C-O 3.51Å; I45-I165 VanDerWaalsContact CA-O 3.31Å; I45-I165 WeakPolarHBondContact CA-O 3.23Å; I46-I165 HydrophobicContact CB-CB 4.1Å; I46-I165 HydrophobicContact CB-CD1 3.93Å; I46-I165 HydrophobicContact CG2-CD1 4.16Å; I46-I165 PolarHBondContact N-O 2.92Å; I46-I165 PolarHBondContact O-N 3.01Å; A163-I165 HydrophobicContact CB-CD1 4.37Å; I165-S169 CarbonylContact C-O 3.57Å; I165-S169 WeakPolarHBondContact CA-O 3.29Å; I165-V170 HydrophobicContact CG1-CG1 4.48Å; I165-V170 HydrophobicContact CG1-CG2 4.09Å; I165-V170 HydrophobicContact CG2-CG2 4.5Å; I165-A199 HydrophobicContact CG2-CB 3.87Å; I165-I206 HydrophobicContact CD1-CD1 4.35Å
166F98.8Very high96.1Very high6 Ų66.5 Ų6.53%0.0263%0.034CC..EExtended strand (participates in β ladder)trans-131.499.5179.1-53.9-84.5000107.2L34 H37 I38 A41 I45 L47 D168 S169 I171L34-F166 HydrophobicContact CD2-CE2 4.17Å; L34-F166 HydrophobicContact CD2-CZ 3.73Å; H37-F166 HydrophobicContact CB-CB 3.86Å; H37-F166 HydrophobicContact CB-CD1 3.76Å; H37-F166 HydrophobicContact CB-CD2 3.53Å; H37-F166 HydrophobicContact CB-CE1 4.22Å; H37-F166 HydrophobicContact CB-CE2 3.96Å; H37-F166 HydrophobicContact CB-CG 3.42Å; H37-F166 VanDerWaalsContact CB-CG 3.42Å; H37-F166 HydrophobicContact CB-CZ 4.29Å; I38-F166 HydrophobicContact CD1-CE1 4.34Å; I38-F166 HydrophobicContact CG1-CD1 4.12Å; I38-F166 HydrophobicContact CG1-CE1 3.48Å; I38-F166 VanDerWaalsContact CG1-CE1 3.48Å; I38-F166 HydrophobicContact CG1-CZ 4.37Å; A41-F166 HydrophobicContact CB-CB 4.36Å; I45-F166 HydrophobicContact CG1-CD1 4.01Å; I45-F166 HydrophobicContact CG2-CD1 4.05Å; I45-F166 HydrophobicContact CG2-CE1 3.84Å; L47-F166 HydrophobicContact CD2-CE1 4.02Å; L47-F166 HydrophobicContact CD2-CZ 3.81Å; F166-D168 PolarHBondContact O-N 3Å; F166-S169 PolarHBondContact N-O 3.23Å; F166-S169 PolarHBondContact O-N 2.92Å; F166-I171 HydrophobicContact CD2-CD1 4.47Å; F166-I171 HydrophobicContact CD2-CG1 4.43Å; F166-I171 HydrophobicContact CE2-CD1 3.83Å; F166-I171 HydrophobicContact CE2-CG1 4.05Å
167D98.6Very high96.9Very high28 Ų285.1 Ų5.115%0.153%0.028CC..THydrogen-bonded Turntrans51.8-102.3-167.3-62.6-24.7000112.2A41 N42 K43 R44A41-D167 WeakPolarHBondContact CA-OD2 3.41Å; N42-D167 PolarHBondContact N-OD2 3.38Å; K43-D167 VanDerWaalsContact CA-OD1 3.29Å; K43-D167 WeakPolarHBondContact CA-OD1 3.12Å; K43-D167 VanDerWaalsContact CB-OD1 3.27Å; K43-D167 WeakPolarHBondContact CB-OD1 3.47Å; K43-D167 PolarHBondContact N-OD1 3.06Å; R44-D167 PolarHBondContact N-OD1 3.11Å; R44-D167 PolarHBondContact NE-O 3.33Å; R44-D167 PolarHBondContact NH2-O 3.01Å; R44-D167 PolarHBondContact O-N 2.95Å
168D98.6Very high97.1Very high51 Ų515.1 Ų5.127%0.2733%0.028SC..THydrogen-bonded Turntrans-107.32.2179.4-66.1-38.6000113.4R44 F166 F195 P196R44-D168 IonicContact NH2-OD1 3.28Å; R44-D168 PolarHBondContact NH2-OD1 3.21Å; F166-D168 PolarHBondContact O-N 3Å; D168-F195 CarbonylContact O-C 3.55Å; D168-F195 VanDerWaalsContact O-C 3.26Å; D168-F195 WeakPolarHBondContact O-CA 3.33Å; D168-F195 PolarHBondContact O-N 3.42Å; D168-P196 HydrophobicContact CB-CB 4.42Å; D168-P196 HydrophobicContact CB-CG 3.95Å
169S98.8Very high97.1Very high10 Ų106.9 Ų6.97%0.074%0.036CC..EExtended strand (participates in β ladder)trans-96.2144.2175.1-63.20000111.5I165 F166 F192 N194I165-S169 CarbonylContact C-O 3.57Å; I165-S169 WeakPolarHBondContact CA-O 3.29Å; F166-S169 PolarHBondContact N-O 3.23Å; F166-S169 PolarHBondContact O-N 2.92Å; S169-F192 CarbonylContact C-O 3.51Å; S169-F192 VanDerWaalsContact CA-O 3.22Å; S169-F192 WeakPolarHBondContact CA-O 3.48Å; S169-N194 PolarHBondContact OG-N 3.38Å
170V98.9Very high96.9Very high0 Ų07.9 Ų7.90%04%0.04CC..EExtended strand (participates in β ladder)trans-127.7129.1178.8-177.30000110.1Y164 I165 I191 F192 L198 A199 Y202Y164-V170 CarbonylContact O-C 3.44Å; Y164-V170 WeakPolarHBondContact O-CA 3.16Å; I165-V170 HydrophobicContact CG1-CG1 4.48Å; I165-V170 HydrophobicContact CG1-CG2 4.09Å; I165-V170 HydrophobicContact CG2-CG2 4.5Å; V170-I191 CarbonylContact O-C 3.55Å; V170-I191 WeakPolarHBondContact O-CA 3.45Å; V170-F192 HydrophobicContact CB-CB 4.45Å; V170-F192 HydrophobicContact CB-CD2 4.44Å; V170-F192 PolarHBondContact N-O 3.05Å; V170-F192 PolarHBondContact O-N 3.15Å; V170-L198 HydrophobicContact CB-CD2 4.18Å; V170-L198 HydrophobicContact CB-CG 4.43Å; V170-L198 HydrophobicContact CG1-CD2 4.39Å; V170-L198 HydrophobicContact CG2-CB 4.39Å; V170-L198 HydrophobicContact CG2-CD2 4.38Å; V170-L198 HydrophobicContact CG2-CG 4.14Å; V170-A199 VanDerWaalsContact CG2-CA 3.48Å; V170-A199 HydrophobicContact CG2-CB 3.83Å; V170-Y202 HydrophobicContact CG1-CD2 4.2Å
171I98.7Very high96.9Very high0 Ų07.9 Ų7.90%04%0.041CC..EExtended strand (participates in β ladder)trans-99.6119.1164.7-51.9-177.1000107.9L30 L34 A163 Y164 F166 I189 W190 I191L30-I171 HydrophobicContact CD1-CG2 4.13Å; L34-I171 HydrophobicContact CD2-CD1 4.16Å; A163-I171 WeakPolarHBondContact CA-O 3.46Å; Y164-I171 HydrophobicContact CD2-CB 4.1Å; Y164-I171 HydrophobicContact CD2-CG2 4.15Å; Y164-I171 PolarHBondContact N-O 3.34Å; Y164-I171 PolarHBondContact O-N 3.21Å; F166-I171 HydrophobicContact CD2-CD1 4.47Å; F166-I171 HydrophobicContact CD2-CG1 4.43Å; F166-I171 HydrophobicContact CE2-CD1 3.83Å; F166-I171 HydrophobicContact CE2-CG1 4.05Å; I171-I189 HydrophobicContact CG2-CG2 3.59Å; I171-W190 CarbonylContact C-O 3.52Å; I171-W190 VanDerWaalsContact CA-O 3.3Å; I171-W190 WeakPolarHBondContact CA-O 3.28Å; I171-I191 HydrophobicContact CG1-CG1 4.16Å; I171-I191 HydrophobicContact CG1-CG2 4.32Å
172M98.4Very high96.8Very high0 Ų08 Ų80%04%0.041CC..EExtended strand (participates in β ladder)trans-104.2133.2174.3-177.155.958.300109.8K162 A163 W190 F192 Y202 V449 L467K162-M172 VanDerWaalsContact O-SD 3.39Å; A163-M172 HydrophobicContact CB-CE 3.81Å; M172-W190 PolarHBondContact N-O 3.43Å; M172-W190 PolarHBondContact O-N 2.97Å; M172-F192 HydrophobicContact CB-CE2 3.82Å; M172-Y202 HydrophobicContact CE-CD2 4.32Å; M172-Y202 HydrophobicContact CE-CE1 4.04Å; M172-Y202 HydrophobicContact CE-CE2 3.37Å; M172-Y202 WeakPolarHBondContact CE-OH 3.17Å; M172-V449 HydrophobicContact CG-CG1 4.11Å; M172-V449 HydrophobicContact CG-CG2 4.43Å; M172-L467 HydrophobicContact CB-CD1 4Å; M172-L467 HydrophobicContact CE-CD1 3.96Å; M172-L467 HydrophobicContact CE-CG 4.03Å; M172-L467 HydrophobicContact CG-CD1 3.9Å; M172-L467 HydrophobicContact CG-CG 4.15Å
173S96.6Very high96.7Very high0 Ų09.4 Ų9.40%05%0.05CC..EExtended strand (participates in β ladder)trans-153.5170.8178.3-169.70000113.2K162 A175 R188 I189K162-S173 WeakPolarHBondContact CB-O 3.1Å; K162-S173 PolarHBondContact O-N 3.37Å; S173-A175 VanDerWaalsContact OG-CB 3.27Å; S173-A175 WeakPolarHBondContact OG-CB 3.44Å; S173-A175 PolarHBondContact OG-N 3.32Å; S173-R188 VanDerWaalsContact CA-O 3.27Å; S173-R188 WeakPolarHBondContact CA-O 3.2Å; S173-R188 WeakPolarHBondContact CB-O 3.32Å; S173-R188 PolarHBondContact OG-O 3.43Å; S173-I189 WeakPolarHBondContact OG-CG1 3.22Å
174G94Very high96.5Very high0 Ų010.8 Ų10.80%06%0.057CC..SBendtrans-86.4-12.1158.400000113.6K162 D187 H416 K418 G450K162-G174 WeakPolarHBondContact CD-O 3.32Å; G174-D187 WeakPolarHBondContact CA-OD1 3.44Å; G174-H416 PolarHBondContact O-CE1 3.18Å; G174-K418 VanDerWaalsContact CA-CE 3.47Å; G174-G450 WeakPolarHBondContact CA-O 3.46Å
175A95.2Very high96.3Very high1 Ų111.6 Ų11.61%0.0086%0.06CC..  trans-83136.7-167.900000113L30 K162 Y164 S173 Y181 D187L30-A175 HydrophobicContact CD2-CB 3.78Å; K162-A175 WeakPolarHBondContact CG-O 3.36Å; Y164-A175 PolarHBondContact OH-O 3.28Å; S173-A175 VanDerWaalsContact OG-CB 3.27Å; S173-A175 WeakPolarHBondContact OG-CB 3.44Å; S173-A175 PolarHBondContact OG-N 3.32Å; A175-Y181 VanDerWaalsContact CA-CD1 3.47Å; A175-Y181 HydrophobicContact CB-CD1 3.42Å; A175-Y181 VanDerWaalsContact CB-CD1 3.42Å; A175-Y181 HydrophobicContact CB-CE1 4.09Å; A175-Y181 HydrophobicContact CB-CG 4Å; A175-D187 WeakPolarHBondContact CA-OD2 3.5Å; A175-D187 HydrophobicContact CB-CB 4.06Å; A175-D187 PolarHBondContact N-OD2 3.31Å
176N95.7Very high96.1Very high4 Ų411.9 Ų11.92%0.0216%0.061CC..  trans-83.9171.8168.9-60.8-60.8000110.8T49 L50 Y51 K162 S178 Y181T49-N176 PolarHBondContact OG1-OD1 3.01Å; L50-N176 WeakPolarHBondContact CB-OD1 3.42Å; L50-N176 PolarHBondContact N-OD1 3.25Å; L50-N176 VanDerWaalsContact N-OD1 3.15Å; Y51-N176 HydrophobicContact CD1-CB 4.35Å; Y51-N176 HydrophobicContact CE1-CB 3.95Å; K162-N176 WeakPolarHBondContact CE-OD1 3.47Å; K162-N176 PolarHBondContact NZ-OD1 2.81Å; N176-S178 PolarHBondContact O-N 2.94Å; N176-Y181 HydrophobicContact CB-CD2 3.87Å; N176-Y181 HydrophobicContact CB-CE2 3.7Å; N176-Y181 PolarHBondContact ND2-OH 2.95Å; N176-Y181 WeakPolarHBondContact O-CB 3.34Å; N176-Y181 WeakPolarHBondContact O-CD2 3.44Å
177L97.2Very high96Very high0 Ų011.8 Ų11.80%06%0.061CC..BIsolated β-bridgetrans-91.872.7179.3-58.5179.1000110.6L34 L47 T49 I52 G53 L61 Y164 F182L34-L177 HydrophobicContact CD1-CD2 3.54Å; L34-L177 HydrophobicContact CD2-CD2 4.44Å; L47-L177 HydrophobicContact CB-CD1 4.39Å; L47-L177 HydrophobicContact CD1-CD1 4.05Å; T49-L177 HydrophobicContact CG2-CD1 4.12Å; T49-L177 HydrophobicContact CG2-CG 4.38Å; I52-L177 CarbonylContact C-O 3.54Å; I52-L177 VanDerWaalsContact CA-O 3.31Å; I52-L177 WeakPolarHBondContact CA-O 3.47Å; I52-L177 HydrophobicContact CB-CB 4.49Å; I52-L177 HydrophobicContact CD1-CD1 3.97Å; I52-L177 HydrophobicContact CG1-CB 4.11Å; I52-L177 HydrophobicContact CG1-CD1 4.14Å; I52-L177 HydrophobicContact CG2-CB 4.26Å; G53-L177 PolarHBondContact N-O 3.49Å; L61-L177 HydrophobicContact CD2-CB 4.31Å; L61-L177 HydrophobicContact CD2-CD1 4.1Å; Y164-L177 HydrophobicContact CD1-CD1 4.24Å; Y164-L177 HydrophobicContact CD1-CD2 4.41Å; Y164-L177 HydrophobicContact CE1-CD1 3.66Å; Y164-L177 HydrophobicContact CE1-CD2 3.71Å; Y164-L177 HydrophobicContact CE1-CG 3.7Å; Y164-L177 HydrophobicContact CE2-CD2 4.17Å; L177-F182 HydrophobicContact CB-CZ 4.05Å; L177-F182 HydrophobicContact CD2-CE1 4.11Å; L177-F182 HydrophobicContact CD2-CZ 4.02Å
178S93.4Very high96Very high0 Ų010.6 Ų10.60%05%0.054CC..SBendtrans-144.9161.2173.9690000113.6Y51 E58 N176 E180 Y181 F182Y51-S178 PolarHBondContact OH-OG 3.39Å; Y51-S178 VanDerWaalsContact OH-OG 3.06Å; E58-S178 VanDerWaalsContact OE1-C 3.3Å; E58-S178 WeakPolarHBondContact OE1-CA 3.34Å; E58-S178 WeakPolarHBondContact OE1-CB 3.12Å; N176-S178 PolarHBondContact O-N 2.94Å; S178-E180 VanDerWaalsContact C-N 3.31Å; S178-E180 PolarHBondContact O-N 3.15Å; S178-Y181 WeakPolarHBondContact O-CA 3.29Å; S178-Y181 WeakPolarHBondContact O-CB 3.28Å; S178-Y181 PolarHBondContact O-N 2.93Å; S178-Y181 WeakPolarHBondContact OG-CD2 3.38Å; S178-F182 PolarHBondContact O-N 3.39Å
179H93Very high96Very high40 Ų408.2 Ų8.219%0.1854%0.042CC..Hα-helixtrans-39.8-51-174.9-179.8-82.8000114.6E58 Y95 Y181 F182 T183E58-H179 PolarHBondContact OE1-N 2.91Å; Y95-H179 AromaticContact CD1-CE1 3.34Å; Y95-H179 WeakPolarHBondContact CD1-CE1 3.23Å; Y95-H179 AromaticContact CD1-ND1 3.56Å; Y95-H179 AromaticContact CD2-ND1 3.55Å; Y95-H179 AromaticContact CE1-CE1 3.62Å; Y95-H179 AromaticContact CE1-ND1 3.66Å; Y95-H179 AromaticContact CE2-ND1 3.71Å; Y95-H179 AromaticContact CG-CE1 3.64Å; Y95-H179 AromaticContact CG-ND1 3.5Å; Y95-H179 AromaticContact CZ-ND1 3.74Å; H179-Y181 VanDerWaalsContact C-N 3.31Å; H179-Y181 PolarHBondContact O-N 3.16Å; H179-F182 CarbonylContact O-C 3.54Å; H179-F182 WeakPolarHBondContact O-CA 3.17Å; H179-F182 PolarHBondContact O-N 2.87Å; H179-T183 PolarHBondContact CE1-OG1 2.61Å; H179-T183 PolarHBondContact ND1-OG1 3.2Å; H179-T183 WeakPolarHBondContact O-CB 3.37Å; H179-T183 WeakPolarHBondContact O-CG2 2.94Å; H179-T183 PolarHBondContact O-N 2.97Å; H179-T183 PolarHBondContact O-OG1 2.88Å
180E90.2Very high96Very high20 Ų207.8 Ų7.89%0.0934%0.039CC..Hα-helixtrans-54.1-45.3178-64.6144.4-150.200112.6T91 Y95 S178 F182 T183 N184 R185T91-E180 WeakPolarHBondContact CB-OE1 3.49Å; T91-E180 WeakPolarHBondContact CG2-OE1 3.41Å; Y95-E180 HydrophobicContact CE2-CG 3.64Å; Y95-E180 WeakPolarHBondContact OH-CG 3.36Å; S178-E180 VanDerWaalsContact C-N 3.31Å; S178-E180 PolarHBondContact O-N 3.15Å; E180-F182 PolarHBondContact O-N 3.13Å; E180-T183 PolarHBondContact O-N 2.87Å; E180-N184 PolarHBondContact O-N 3.38Å; E180-R185 HydrophobicContact CB-CB 4.14Å; E180-R185 WeakPolarHBondContact O-CB 3.29Å; E180-R185 PolarHBondContact O-N 3.23Å; E180-R185 IonicContact OE2-NH1 3.55Å
181Y95.3Very high96Very high6 Ų67.8 Ų7.82%0.0244%0.039CC..Hα-helixtrans-74.8-8.9179.2-68.5-77.2000113.7P27 A175 N176 S178 H179 R185 H416P27-Y181 WeakPolarHBondContact CB-O 3.25Å; A175-Y181 VanDerWaalsContact CA-CD1 3.47Å; A175-Y181 HydrophobicContact CB-CD1 3.42Å; A175-Y181 VanDerWaalsContact CB-CD1 3.42Å; A175-Y181 HydrophobicContact CB-CE1 4.09Å; A175-Y181 HydrophobicContact CB-CG 4Å; N176-Y181 HydrophobicContact CB-CD2 3.87Å; N176-Y181 HydrophobicContact CB-CE2 3.7Å; N176-Y181 PolarHBondContact ND2-OH 2.95Å; N176-Y181 WeakPolarHBondContact O-CB 3.34Å; N176-Y181 WeakPolarHBondContact O-CD2 3.44Å; S178-Y181 WeakPolarHBondContact O-CA 3.29Å; S178-Y181 WeakPolarHBondContact O-CB 3.28Å; S178-Y181 PolarHBondContact O-N 2.93Å; S178-Y181 WeakPolarHBondContact OG-CD2 3.38Å; H179-Y181 VanDerWaalsContact C-N 3.31Å; H179-Y181 PolarHBondContact O-N 3.16Å; Y181-R185 HydrophobicContact CD1-CB 4.26Å; Y181-R185 HydrophobicContact CD1-CG 3.95Å; Y181-R185 VanDerWaalsContact CE1-CD 3.46Å; Y181-R185 HydrophobicContact CE1-CG 3.87Å; Y181-R185 PolarHBondContact OH-NE 3.27Å; Y181-R185 PolarHBondContact OH-NH1 2.87Å; Y181-R185 PolarHBondContact OH-NH2 2.91Å; Y181-H416 HydrophobicContact CE1-CB 4.35Å; Y181-H416 AromaticContact CE1-ND1 3.5Å; Y181-H416 WeakPolarHBondContact CE1-ND1 3.44Å; Y181-H416 PolarHBondContact OH-CE1 3.3Å
182F97.4Very high96Very high3 Ų37.8 Ų7.81%0.0134%0.039CC..Hα-helixtrans-101.7-8.7172.4-57.8-30.1000112.7P27 Q28 L30 F31 L34 L57 E58 L61 L177 S178 H179 E180P27-F182 CarbonylContact C-O 3.53Å; Q28-F182 PolarHBondContact N-O 3.13Å; L30-F182 HydrophobicContact CD2-CD1 4.41Å; L30-F182 HydrophobicContact CD2-CE1 4.39Å; F31-F182 HydrophobicContact CB-CB 3.99Å; F31-F182 HydrophobicContact CB-CD1 3.91Å; F31-F182 HydrophobicContact CB-CG 4Å; F31-F182 HydrophobicContact CD2-CB 4.26Å; F31-F182 AromaticContact CD2-CD1 3.91Å; F31-F182 HydrophobicContact CD2-CD1 3.91Å; F31-F182 AromaticContact CD2-CD2 3.61Å; F31-F182 HydrophobicContact CD2-CD2 3.61Å; F31-F182 HydrophobicContact CD2-CE1 4.1Å; F31-F182 AromaticContact CD2-CE2 3.78Å; F31-F182 HydrophobicContact CD2-CE2 3.78Å; F31-F182 AromaticContact CD2-CG 3.67Å; F31-F182 HydrophobicContact CD2-CG 3.67Å; F31-F182 HydrophobicContact CD2-CZ 4.03Å; F31-F182 HydrophobicContact CE2-CD2 4.04Å; F31-F182 HydrophobicContact CE2-CE2 4.05Å; F31-F182 HydrophobicContact CG-CB 4.24Å; F31-F182 HydrophobicContact CG-CD1 4.34Å; F31-F182 HydrophobicContact CG-CD2 4.4Å; F31-F182 HydrophobicContact CG-CG 4.1Å; L34-F182 HydrophobicContact CD1-CE1 3.75Å; L34-F182 HydrophobicContact CD1-CZ 4.19Å; L57-F182 HydrophobicContact CB-CD2 3.79Å; L57-F182 HydrophobicContact CB-CE2 4.39Å; L57-F182 HydrophobicContact CD1-CB 3.7Å; L57-F182 HydrophobicContact CD1-CD2 4.12Å; L57-F182 HydrophobicContact CD1-CG 4.42Å; E58-F182 HydrophobicContact CG-CE2 4.22Å; L61-F182 HydrophobicContact CD2-CZ 4.37Å; L177-F182 HydrophobicContact CB-CZ 4.05Å; L177-F182 HydrophobicContact CD2-CE1 4.11Å; L177-F182 HydrophobicContact CD2-CZ 4.02Å; S178-F182 PolarHBondContact O-N 3.39Å; H179-F182 CarbonylContact O-C 3.54Å; H179-F182 WeakPolarHBondContact O-CA 3.17Å; H179-F182 PolarHBondContact O-N 2.87Å; E180-F182 PolarHBondContact O-N 3.13Å
183T95.3Very high96Very high29 Ų2911.5 Ų11.518%0.1786%0.055CC..Hα-helixtrans-127.5-62.4-170.954.30000114.3Q28 L57 H179 E180Q28-T183 PolarHBondContact NE2-O 3.04Å; L57-T183 HydrophobicContact CD1-CG2 3.9Å; H179-T183 PolarHBondContact CE1-OG1 2.61Å; H179-T183 PolarHBondContact ND1-OG1 3.2Å; H179-T183 WeakPolarHBondContact O-CB 3.37Å; H179-T183 WeakPolarHBondContact O-CG2 2.94Å; H179-T183 PolarHBondContact O-N 2.97Å; H179-T183 PolarHBondContact O-OG1 2.88Å; E180-T183 PolarHBondContact O-N 2.87Å
184N94.5Very high96Very high29 Ų2917.3 Ų17.316%0.1559%0.086CC..THydrogen-bonded Turntrans-139.915-164.471.1-17.1000114.7E180 D412 W413 T414E180-N184 PolarHBondContact O-N 3.38Å; N184-D412 PolarHBondContact ND2-O 2.82Å; N184-W413 HydrophobicContact CB-CD2 4.2Å; N184-W413 HydrophobicContact CB-CG 4.33Å; N184-W413 VanDerWaalsContact O-CA 3.27Å; N184-W413 WeakPolarHBondContact O-CA 3.42Å; N184-T414 PolarHBondContact O-N 2.89Å
185R94.2Very high96.2Very high17 Ų1717.8 Ų17.86%0.0649%0.088CC..EExtended strand (participates in β ladder)trans-107.7103.5175-172.6159.5-176.2165.85110.5P27 E180 Y181 D187 Y333 T414 H416P27-R185 WeakPolarHBondContact CG-O 3.45Å; E180-R185 HydrophobicContact CB-CB 4.14Å; E180-R185 WeakPolarHBondContact O-CB 3.29Å; E180-R185 PolarHBondContact O-N 3.23Å; E180-R185 IonicContact OE2-NH1 3.55Å; Y181-R185 HydrophobicContact CD1-CB 4.26Å; Y181-R185 HydrophobicContact CD1-CG 3.95Å; Y181-R185 VanDerWaalsContact CE1-CD 3.46Å; Y181-R185 HydrophobicContact CE1-CG 3.87Å; Y181-R185 PolarHBondContact OH-NE 3.27Å; Y181-R185 PolarHBondContact OH-NH1 2.87Å; Y181-R185 PolarHBondContact OH-NH2 2.91Å; R185-D187 PolarHBondContact O-N 3.48Å; R185-Y333 PolarHBondContact NH2-OH 2.82Å; R185-T414 CarbonylContact C-O 3.48Å; R185-T414 WeakPolarHBondContact CA-O 3.23Å; R185-T414 WeakPolarHBondContact CB-OG1 3.13Å; R185-T414 VanDerWaalsContact CG-OG1 3.27Å; R185-T414 WeakPolarHBondContact CG-OG1 3.35Å; R185-H416 HydrophobicContact CG-CB 3.94Å; R185-H416 PolarHBondContact NH2-CD2 2.78Å
186Q96Very high96.3Very high6 Ų620.2 Ų20.23%0.02810%0.104CC..EExtended strand (participates in β ladder)trans-66125.9-179.8-174.164.856.300110.5K25 W413 T414 F415 H416 A417 L487K25-Q186 PolarHBondContact O-NE2 2.96Å; Q186-W413 HydrophobicContact CB-CE3 4.36Å; Q186-T414 PolarHBondContact N-O 2.87Å; Q186-F415 HydrophobicContact CB-CD2 4.27Å; Q186-F415 HydrophobicContact CG-CD2 4.41Å; Q186-H416 CarbonylContact O-C 3.53Å; Q186-H416 WeakPolarHBondContact O-CA 3.4Å; Q186-H416 PolarHBondContact O-N 2.86Å; Q186-A417 PolarHBondContact O-N 2.78Å; Q186-L487 HydrophobicContact CG-CD2 3.68Å
187D96.8Very high96.4Very high4 Ų422.6 Ų22.62%0.02112%0.116CC..  trans-141.2-176.8175.3-145.6-41.8000109.9G174 A175 R185 H416G174-D187 WeakPolarHBondContact CA-OD1 3.44Å; A175-D187 WeakPolarHBondContact CA-OD2 3.5Å; A175-D187 HydrophobicContact CB-CB 4.06Å; A175-D187 PolarHBondContact N-OD2 3.31Å; R185-D187 PolarHBondContact O-N 3.48Å; D187-H416 IonicContact OD2-CE1 2.81Å; D187-H416 IonicContact OD2-CG 3.92Å; D187-H416 IonicContact OD2-ND1 3.92Å; D187-H416 PolarHBondContact OD2-ND1 2.88Å
188R97.9Very high96.4Very high2 Ų222.6 Ų22.61%0.00812%0.116CC..  trans-108.9131.3174.6-66.1-179.166-160.81.8110.1S173 A417 K418 S447 L448 V449 E483 L487S173-R188 VanDerWaalsContact CA-O 3.27Å; S173-R188 WeakPolarHBondContact CA-O 3.2Å; S173-R188 WeakPolarHBondContact CB-O 3.32Å; S173-R188 PolarHBondContact OG-O 3.43Å; R188-A417 HydrophobicContact CG-CB 3.96Å; R188-K418 VanDerWaalsContact CD-O 3.32Å; R188-K418 WeakPolarHBondContact CD-O 3.35Å; R188-K418 PolarHBondContact NH1-O 3.32Å; R188-S447 PolarHBondContact NH2-OG 2.7Å; R188-L448 PolarHBondContact NH1-O 2.92Å; R188-V449 HydrophobicContact CB-CG2 4.15Å; R188-E483 IonicContact CZ-OE1 2.72Å; R188-E483 IonicContact CZ-OE2 3.53Å; R188-E483 IonicContact NE-OE1 2.72Å; R188-E483 PolarHBondContact NE-OE1 3.49Å; R188-E483 IonicContact NE-OE2 3.65Å; R188-E483 IonicContact NH2-OE1 3.8Å; R188-E483 PolarHBondContact NH2-OE1 3.05Å; R188-E483 IonicContact NH2-OE2 3.97Å; R188-E483 PolarHBondContact NH2-OE2 3.18Å; R188-L487 HydrophobicContact CG-CD1 3.76Å
189I98.3Very high96.7Very high2 Ų222.6 Ų22.61%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-136.3122.7-176.2-53.9116.2000109.3L24 L30 I171 S173L24-I189 HydrophobicContact CB-CB 4.11Å; L24-I189 HydrophobicContact CB-CG2 4.3Å; L24-I189 HydrophobicContact CD1-CB 4.37Å; L24-I189 HydrophobicContact CD1-CG2 3.7Å; L24-I189 HydrophobicContact CG-CB 4.46Å; L24-I189 HydrophobicContact CG-CG2 4.12Å; L24-I189 PolarHBondContact N-O 3.25Å; L30-I189 HydrophobicContact CB-CD1 3.91Å; L30-I189 HydrophobicContact CB-CG1 4.07Å; L30-I189 HydrophobicContact CB-CG2 4.42Å; L30-I189 HydrophobicContact CD1-CG1 4.32Å; L30-I189 HydrophobicContact CD1-CG2 3.84Å; L30-I189 HydrophobicContact CD2-CD1 4.46Å; L30-I189 HydrophobicContact CD2-CG1 4.19Å; L30-I189 HydrophobicContact CG-CG1 4.42Å; I171-I189 HydrophobicContact CG2-CG2 3.59Å; S173-I189 WeakPolarHBondContact OG-CG1 3.22Å
190W98.6Very high97Very high0 Ų023.4 Ų23.40%012%0.122CC..EExtended strand (participates in β ladder)trans-124.1136.6179.7-74.540.2000109.6I21 R22 I23 I171 M172 F192 V449 I469 L480 E483I21-W190 HydrophobicContact CG2-CE3 3.71Å; I21-W190 HydrophobicContact CG2-CZ3 4.05Å; R22-W190 CarbonylContact O-C 3.57Å; R22-W190 WeakPolarHBondContact O-CA 3.42Å; I23-W190 HydrophobicContact CD1-CD2 4.4Å; I23-W190 HydrophobicContact CD1-CH2 4.39Å; I23-W190 HydrophobicContact CD1-CZ2 3.86Å; I23-W190 HydrophobicContact CG1-CD2 3.98Å; I23-W190 HydrophobicContact CG1-CE3 4.48Å; I23-W190 HydrophobicContact CG1-CG 4.27Å; I23-W190 HydrophobicContact CG1-CZ2 4.34Å; I171-W190 CarbonylContact C-O 3.52Å; I171-W190 VanDerWaalsContact CA-O 3.3Å; I171-W190 WeakPolarHBondContact CA-O 3.28Å; M172-W190 PolarHBondContact N-O 3.43Å; M172-W190 PolarHBondContact O-N 2.97Å; W190-F192 HydrophobicContact CB-CE2 3.94Å; W190-F192 HydrophobicContact CB-CZ 4.13Å; W190-F192 HydrophobicContact CE3-CE1 4.16Å; W190-F192 AromaticContact CE3-CZ 3.78Å; W190-F192 HydrophobicContact CE3-CZ 3.78Å; W190-V449 HydrophobicContact CB-CG1 4.42Å; W190-V449 HydrophobicContact CD2-CB 4.38Å; W190-V449 HydrophobicContact CD2-CG1 3.92Å; W190-V449 HydrophobicContact CE3-CG1 4.21Å; W190-V449 HydrophobicContact CG-CB 4.39Å; W190-V449 HydrophobicContact CG-CG1 4.05Å; W190-V449 HydrophobicContact CG-CG2 4.06Å; W190-I469 HydrophobicContact CE3-CD1 3.96Å; W190-I469 HydrophobicContact CE3-CG1 4.26Å; W190-I469 HydrophobicContact CH2-CB 4.07Å; W190-I469 HydrophobicContact CH2-CD1 3.83Å; W190-I469 HydrophobicContact CH2-CG1 4.11Å; W190-I469 HydrophobicContact CH2-CG2 4.4Å; W190-I469 HydrophobicContact CZ3-CB 3.85Å; W190-I469 HydrophobicContact CZ3-CD1 3.45Å; W190-I469 VanDerWaalsContact CZ3-CD1 3.45Å; W190-I469 HydrophobicContact CZ3-CG1 3.51Å; W190-I469 HydrophobicContact CZ3-CG2 4.02Å; W190-L480 HydrophobicContact CH2-CD2 3.14Å; W190-L480 HydrophobicContact CH2-CG 4.5Å; W190-L480 HydrophobicContact CZ2-CD2 3.25Å; W190-L480 HydrophobicContact CZ3-CD2 4.22Å; W190-E483 PolarHBondContact NE1-OE1 3.5Å
191I98.7Very high97.4Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-110.2129.4174.6-47.3178.7000108.3I21 R22 L24 S33 V170 I171 K193I21-I191 WeakPolarHBondContact CA-O 3.05Å; R22-I191 HydrophobicContact CB-CB 4.28Å; R22-I191 PolarHBondContact N-O 3Å; R22-I191 PolarHBondContact O-N 3.38Å; L24-I191 HydrophobicContact CD1-CD1 3.96Å; L24-I191 HydrophobicContact CD1-CG1 4.25Å; L24-I191 HydrophobicContact CD2-CD1 3.87Å; L24-I191 HydrophobicContact CD2-CG1 4.43Å; L24-I191 HydrophobicContact CG-CD1 4.08Å; L24-I191 HydrophobicContact CG-CG1 4.22Å; S33-I191 WeakPolarHBondContact OG-CD1 3.37Å; V170-I191 CarbonylContact O-C 3.55Å; V170-I191 WeakPolarHBondContact O-CA 3.45Å; I171-I191 HydrophobicContact CG1-CG1 4.16Å; I171-I191 HydrophobicContact CG1-CG2 4.32Å; I191-K193 HydrophobicContact CG2-CG 3.74Å
192F98.6Very high97.5Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-109.3101.3170.8-55.3-88000107.3I16 Q20 I21 S169 V170 M172 W190 L198 I274 L467 I469I16-F192 HydrophobicContact CD1-CB 4.4Å; I16-F192 HydrophobicContact CD1-CD1 3.85Å; Q20-F192 CarbonylContact O-C 3.54Å; Q20-F192 WeakPolarHBondContact O-CA 3.45Å; I21-F192 HydrophobicContact CD1-CD1 4.3Å; I21-F192 HydrophobicContact CD1-CE1 4.04Å; I21-F192 HydrophobicContact CG1-CD1 3.96Å; I21-F192 HydrophobicContact CG1-CE1 4.13Å; I21-F192 HydrophobicContact CG2-CE1 4.42Å; S169-F192 CarbonylContact C-O 3.51Å; S169-F192 VanDerWaalsContact CA-O 3.22Å; S169-F192 WeakPolarHBondContact CA-O 3.48Å; V170-F192 HydrophobicContact CB-CB 4.45Å; V170-F192 HydrophobicContact CB-CD2 4.44Å; V170-F192 PolarHBondContact N-O 3.05Å; V170-F192 PolarHBondContact O-N 3.15Å; M172-F192 HydrophobicContact CB-CE2 3.82Å; W190-F192 HydrophobicContact CB-CE2 3.94Å; W190-F192 HydrophobicContact CB-CZ 4.13Å; W190-F192 HydrophobicContact CE3-CE1 4.16Å; W190-F192 AromaticContact CE3-CZ 3.78Å; W190-F192 HydrophobicContact CE3-CZ 3.78Å; F192-L198 HydrophobicContact CB-CD2 3.89Å; F192-L198 HydrophobicContact CD1-CD2 4.06Å; F192-L198 HydrophobicContact CD2-CD2 3.59Å; F192-L198 HydrophobicContact CE2-CD2 4.13Å; F192-L198 HydrophobicContact CG-CD2 3.55Å; F192-I274 HydrophobicContact CD1-CD1 3.44Å; F192-I274 VanDerWaalsContact CD1-CD1 3.44Å; F192-I274 HydrophobicContact CE1-CD1 3.41Å; F192-I274 VanDerWaalsContact CE1-CD1 3.41Å; F192-I274 HydrophobicContact CE1-CG1 4.23Å; F192-I274 HydrophobicContact CG-CD1 4.5Å; F192-I274 HydrophobicContact CZ-CD1 4.45Å; F192-L467 HydrophobicContact CD2-CD1 4.2Å; F192-L467 HydrophobicContact CE1-CD1 4.39Å; F192-L467 HydrophobicContact CE2-CD1 3.37Å; F192-L467 HydrophobicContact CZ-CD1 3.48Å; F192-L467 VanDerWaalsContact CZ-CD1 3.48Å; F192-I469 HydrophobicContact CE1-CG1 4.44Å; F192-I469 HydrophobicContact CZ-CD1 4.37Å; F192-I469 HydrophobicContact CZ-CG1 4.5Å
193K98.2Very high97.6Very high78 Ų7822.5 Ų22.534%0.33912%0.119SC..THydrogen-bonded Turntrans-85.6133.1-171.3-63.6-176.6175.7-172.30111.5Q20 I191 F195Q20-K193 PolarHBondContact NE2-O 3.49Å; Q20-K193 PolarHBondContact O-N 2.97Å; I191-K193 HydrophobicContact CG2-CG 3.74Å; K193-F195 VanDerWaalsContact C-N 3.28Å; K193-F195 PolarHBondContact O-N 2.86Å
194N97.8Very high97.7Very high122 Ų12223.1 Ų23.165%0.65212%0.122SC*.THydrogen-bonded Turntrans47.651.4174.3-60.4-27.8000112.1Q20 S169 P196Q20-N194 PolarHBondContact NE2-O 3.04Å; S169-N194 PolarHBondContact OG-N 3.38Å; N194-P196 WeakPolarHBondContact O-CD 3.21Å
195F97.5Very high97.9Very high11 Ų1121.8 Ų21.85%0.04811%0.114CC..  trans-12381.1-176.4-170.9-130000111.5Y14 H15 I16 D168 K193 N197 L198 A199 I274Y14-F195 HydrophobicContact CG-CZ 4.44Å; H15-F195 WeakPolarHBondContact O-CE2 3.4Å; H15-F195 WeakPolarHBondContact O-CZ 3.25Å; I16-F195 HydrophobicContact CB-CD2 4.49Å; I16-F195 HydrophobicContact CB-CE1 4.28Å; I16-F195 HydrophobicContact CB-CE2 4.03Å; I16-F195 HydrophobicContact CB-CZ 3.89Å; I16-F195 HydrophobicContact CD1-CB 4.28Å; I16-F195 HydrophobicContact CD1-CD1 3.73Å; I16-F195 HydrophobicContact CD1-CD2 4.21Å; I16-F195 HydrophobicContact CD1-CE1 4.04Å; I16-F195 HydrophobicContact CD1-CE2 4.49Å; I16-F195 HydrophobicContact CD1-CG 3.82Å; I16-F195 HydrophobicContact CD1-CZ 4.39Å; I16-F195 HydrophobicContact CG1-CD1 4.36Å; I16-F195 HydrophobicContact CG1-CD2 4.04Å; I16-F195 HydrophobicContact CG1-CE1 4.4Å; I16-F195 HydrophobicContact CG1-CE2 4.09Å; I16-F195 HydrophobicContact CG1-CG 4.18Å; I16-F195 HydrophobicContact CG1-CZ 4.24Å; D168-F195 CarbonylContact O-C 3.55Å; D168-F195 VanDerWaalsContact O-C 3.26Å; D168-F195 WeakPolarHBondContact O-CA 3.33Å; D168-F195 PolarHBondContact O-N 3.42Å; K193-F195 VanDerWaalsContact C-N 3.28Å; K193-F195 PolarHBondContact O-N 2.86Å; F195-N197 HydrophobicContact CE1-CB 4.37Å; F195-N197 HydrophobicContact CE2-CB 4.12Å; F195-N197 HydrophobicContact CZ-CB 4Å; F195-N197 PolarHBondContact O-N 3.35Å; F195-N197 VanDerWaalsContact O-N 3.13Å; F195-L198 HydrophobicContact CD1-CB 3.33Å; F195-L198 HydrophobicContact CD1-CD2 4.25Å; F195-L198 HydrophobicContact CD1-CG 4.43Å; F195-L198 HydrophobicContact CE1-CB 3.64Å; F195-L198 HydrophobicContact CG-CB 4.41Å; F195-L198 PolarHBondContact O-N 3.22Å; F195-A199 PolarHBondContact O-N 2.75Å; F195-I274 HydrophobicContact CD1-CD1 4.37Å; F195-I274 HydrophobicContact CE1-CD1 3.88Å
196P97.7Very high98.2Very high52 Ų5221 Ų2134%0.33811%0.111SC..Hα-helixtrans-56.4-34.1-172.4-25.232000114.1D168 N194 L198 A199 N200D168-P196 HydrophobicContact CB-CB 4.42Å; D168-P196 HydrophobicContact CB-CG 3.95Å; N194-P196 WeakPolarHBondContact O-CD 3.21Å; P196-L198 VanDerWaalsContact C-N 3.34Å; P196-L198 PolarHBondContact O-N 3.2Å; P196-A199 PolarHBondContact O-N 2.94Å; P196-N200 WeakPolarHBondContact O-CB 3.22Å; P196-N200 PolarHBondContact O-N 3.27Å; P196-N200 PolarHBondContact O-ND2 2.81Å; P196-N200 VanDerWaalsContact O-ND2 3.16Å
197N97.2Very high98.3Very high54 Ų5423 Ų2329%0.28912%0.121SC..Hα-helixtrans-57.9-45.6-179-75.9-14.9000112Y14 F195 F201 D260Y14-N197 HydrophobicContact CD1-CB 3.77Å; Y14-N197 HydrophobicContact CE1-CB 4.09Å; Y14-N197 HydrophobicContact CG-CB 4.05Å; F195-N197 HydrophobicContact CE1-CB 4.37Å; F195-N197 HydrophobicContact CE2-CB 4.12Å; F195-N197 HydrophobicContact CZ-CB 4Å; F195-N197 PolarHBondContact O-N 3.35Å; F195-N197 VanDerWaalsContact O-N 3.13Å; N197-F201 WeakPolarHBondContact O-CB 3.45Å; N197-F201 PolarHBondContact O-N 3.48Å; N197-D260 PolarHBondContact ND2-OD2 3.23Å
198L98.4Very high98.3Very high0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-77.2-38.9178.3-171.163.2000112.5V170 F192 F195 P196 N200 F201 Y202 I274 P276 L467V170-L198 HydrophobicContact CB-CD2 4.18Å; V170-L198 HydrophobicContact CB-CG 4.43Å; V170-L198 HydrophobicContact CG1-CD2 4.39Å; V170-L198 HydrophobicContact CG2-CB 4.39Å; V170-L198 HydrophobicContact CG2-CD2 4.38Å; V170-L198 HydrophobicContact CG2-CG 4.14Å; F192-L198 HydrophobicContact CB-CD2 3.89Å; F192-L198 HydrophobicContact CD1-CD2 4.06Å; F192-L198 HydrophobicContact CD2-CD2 3.59Å; F192-L198 HydrophobicContact CE2-CD2 4.13Å; F192-L198 HydrophobicContact CG-CD2 3.55Å; F195-L198 HydrophobicContact CD1-CB 3.33Å; F195-L198 HydrophobicContact CD1-CD2 4.25Å; F195-L198 HydrophobicContact CD1-CG 4.43Å; F195-L198 HydrophobicContact CE1-CB 3.64Å; F195-L198 HydrophobicContact CG-CB 4.41Å; F195-L198 PolarHBondContact O-N 3.22Å; P196-L198 VanDerWaalsContact C-N 3.34Å; P196-L198 PolarHBondContact O-N 3.2Å; L198-N200 VanDerWaalsContact C-N 3.35Å; L198-N200 PolarHBondContact O-N 2.98Å; L198-F201 WeakPolarHBondContact O-CB 3.35Å; L198-F201 PolarHBondContact O-N 3.19Å; L198-Y202 HydrophobicContact CD1-CD2 4.03Å; L198-Y202 HydrophobicContact CD1-CE2 3.67Å; L198-Y202 HydrophobicContact CG-CD2 4.15Å; L198-Y202 HydrophobicContact CG-CE2 4.11Å; L198-Y202 PolarHBondContact O-N 3.26Å; L198-Y202 VanDerWaalsContact O-N 3.12Å; L198-I274 HydrophobicContact CD1-CG2 4.39Å; L198-P276 HydrophobicContact CD1-CG 4.18Å; L198-L467 HydrophobicContact CD1-CD1 4.37Å; L198-L467 HydrophobicContact CD1-CD2 3.9Å; L198-L467 HydrophobicContact CD2-CD1 3.87Å
199A98.7Very high98.3Very high0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-61.1-44.9176.600000111.5I165 V170 F195 P196 Y202 S203I165-A199 HydrophobicContact CG2-CB 3.87Å; V170-A199 VanDerWaalsContact CG2-CA 3.48Å; V170-A199 HydrophobicContact CG2-CB 3.83Å; F195-A199 PolarHBondContact O-N 2.75Å; P196-A199 PolarHBondContact O-N 2.94Å; A199-Y202 PolarHBondContact O-N 3.44Å; A199-S203 WeakPolarHBondContact O-CB 3.36Å; A199-S203 PolarHBondContact O-N 2.9Å
200N98.6Very high98.3Very high56 Ų5626.7 Ų26.730%0.29914%0.141SC..Hα-helixtrans-68.2-36.7175.7-69.1-28.5000111.9R44 P196 L198 Y202 S203 D204R44-N200 VanDerWaalsContact CZ-OD1 3.31Å; R44-N200 PolarHBondContact NH1-OD1 3.24Å; R44-N200 PolarHBondContact NH2-OD1 2.77Å; P196-N200 WeakPolarHBondContact O-CB 3.22Å; P196-N200 PolarHBondContact O-N 3.27Å; P196-N200 PolarHBondContact O-ND2 2.81Å; P196-N200 VanDerWaalsContact O-ND2 3.16Å; L198-N200 VanDerWaalsContact C-N 3.35Å; L198-N200 PolarHBondContact O-N 2.98Å; N200-Y202 PolarHBondContact O-N 3.08Å; N200-S203 PolarHBondContact O-N 2.82Å; N200-D204 WeakPolarHBondContact O-CB 3.29Å; N200-D204 PolarHBondContact O-N 3.42Å
201F98.7Very high98.3Very high0 Ų027.7 Ų27.70%015%0.148CC..Hα-helixtrans-54.8-53.7173175.1-90.8000111.6P12 Y14 N197 L198 L205 F249 L250 K253 P276 I278P12-F201 HydrophobicContact CG-CE2 4.11Å; Y14-F201 HydrophobicContact CE2-CB 4.27Å; Y14-F201 HydrophobicContact CE2-CD2 4.42Å; Y14-F201 HydrophobicContact CE2-CG 4.48Å; N197-F201 WeakPolarHBondContact O-CB 3.45Å; N197-F201 PolarHBondContact O-N 3.48Å; L198-F201 WeakPolarHBondContact O-CB 3.35Å; L198-F201 PolarHBondContact O-N 3.19Å; F201-L205 HydrophobicContact CE1-CD2 4.37Å; F201-L205 WeakPolarHBondContact O-CB 3.3Å; F201-L205 PolarHBondContact O-N 3.45Å; F201-F249 HydrophobicContact CD2-CE1 4.29Å; F201-F249 AromaticContact CD2-CZ 3.88Å; F201-F249 HydrophobicContact CD2-CZ 3.88Å; F201-F249 AromaticContact CE2-CE1 3.74Å; F201-F249 HydrophobicContact CE2-CE1 3.74Å; F201-F249 AromaticContact CE2-CZ 3.81Å; F201-F249 HydrophobicContact CE2-CZ 3.81Å; F201-F249 HydrophobicContact CG-CZ 4.46Å; F201-F249 HydrophobicContact CZ-CE1 4.07Å; F201-F249 HydrophobicContact CZ-CZ 4.34Å; F201-F249 WeakPolarHBondContact O-CZ 3.22Å; F201-L250 HydrophobicContact CE2-CD2 3.98Å; F201-L250 HydrophobicContact CZ-CD2 4.17Å; F201-K253 HydrophobicContact CD2-CB 4.28Å; F201-K253 HydrophobicContact CD2-CD 4.17Å; F201-K253 HydrophobicContact CD2-CG 3.95Å; F201-K253 HydrophobicContact CE2-CB 4.46Å; F201-K253 HydrophobicContact CE2-CG 4.33Å; F201-P276 HydrophobicContact CD1-CB 4.01Å; F201-P276 HydrophobicContact CD1-CG 4.17Å; F201-P276 HydrophobicContact CD2-CB 4.49Å; F201-P276 HydrophobicContact CD2-CG 4.33Å; F201-P276 HydrophobicContact CE1-CB 3.46Å; F201-P276 VanDerWaalsContact CE1-CB 3.46Å; F201-P276 HydrophobicContact CE1-CG 4.11Å; F201-P276 HydrophobicContact CE2-CB 4.01Å; F201-P276 HydrophobicContact CE2-CG 4.26Å; F201-P276 HydrophobicContact CG-CB 4.5Å; F201-P276 HydrophobicContact CG-CG 4.28Å; F201-P276 HydrophobicContact CZ-CB 3.45Å; F201-P276 VanDerWaalsContact CZ-CB 3.45Å; F201-P276 HydrophobicContact CZ-CG 4.15Å; F201-I278 HydrophobicContact CZ-CD1 3.94Å; F201-I278 HydrophobicContact CZ-CG1 4.37Å
202Y98.8Very high98.2Very high0 Ų031.4 Ų31.40%016%0.164CC..Hα-helixtrans-72.4-37.2-179.4-78-67.3000113.2I161 A163 V170 M172 L198 A199 N200 D204 L205 I206 S465 L467I161-Y202 HydrophobicContact CG2-CE1 4.38Å; A163-Y202 HydrophobicContact CB-CD1 3.96Å; A163-Y202 HydrophobicContact CB-CD2 4.34Å; A163-Y202 HydrophobicContact CB-CE1 4.21Å; A163-Y202 HydrophobicContact CB-CG 4.05Å; V170-Y202 HydrophobicContact CG1-CD2 4.2Å; M172-Y202 HydrophobicContact CE-CD2 4.32Å; M172-Y202 HydrophobicContact CE-CE1 4.04Å; M172-Y202 HydrophobicContact CE-CE2 3.37Å; M172-Y202 WeakPolarHBondContact CE-OH 3.17Å; L198-Y202 HydrophobicContact CD1-CD2 4.03Å; L198-Y202 HydrophobicContact CD1-CE2 3.67Å; L198-Y202 HydrophobicContact CG-CD2 4.15Å; L198-Y202 HydrophobicContact CG-CE2 4.11Å; L198-Y202 PolarHBondContact O-N 3.26Å; L198-Y202 VanDerWaalsContact O-N 3.12Å; A199-Y202 PolarHBondContact O-N 3.44Å; N200-Y202 PolarHBondContact O-N 3.08Å; Y202-D204 VanDerWaalsContact C-N 3.34Å; Y202-D204 PolarHBondContact O-N 3.29Å; Y202-L205 HydrophobicContact CD1-CD2 4.11Å; Y202-L205 HydrophobicContact CE1-CD2 4.29Å; Y202-L205 PolarHBondContact O-N 3.4Å; Y202-I206 WeakPolarHBondContact O-CB 3.46Å; Y202-I206 VanDerWaalsContact O-CG1 3.29Å; Y202-I206 WeakPolarHBondContact O-CG1 3.33Å; Y202-I206 PolarHBondContact O-N 3.42Å; Y202-S465 PolarHBondContact OH-OG 2.88Å; Y202-L467 HydrophobicContact CE2-CD2 4.08Å; Y202-L467 VanDerWaalsContact OH-CD2 3.23Å; Y202-L467 WeakPolarHBondContact OH-CD2 3.4Å
203S98.7Very high98.1Very high11 Ų1131.4 Ų31.48%0.07716%0.164CC..Hα-helixtrans-56-49.6173174.40000110.9R44 A199 N200 I206 H207R44-S203 PolarHBondContact NH1-OG 2.91Å; A199-S203 WeakPolarHBondContact O-CB 3.36Å; A199-S203 PolarHBondContact O-N 2.9Å; N200-S203 PolarHBondContact O-N 2.82Å; S203-I206 PolarHBondContact O-N 3.34Å; S203-H207 WeakPolarHBondContact O-CB 3.23Å; S203-H207 PolarHBondContact O-CD2 2.93Å; S203-H207 VanDerWaalsContact O-CD2 3.3Å; S203-H207 PolarHBondContact O-N 2.82Å
204D98.7Very high98Very high42 Ų4227.7 Ų27.723%0.22515%0.148CC..Hα-helixtrans-70.7-37.9-179.5-70.6-19.4000112.1N200 Y202 I206 N208 F249 K253N200-D204 WeakPolarHBondContact O-CB 3.29Å; N200-D204 PolarHBondContact O-N 3.42Å; Y202-D204 VanDerWaalsContact C-N 3.34Å; Y202-D204 PolarHBondContact O-N 3.29Å; D204-I206 VanDerWaalsContact C-N 3.29Å; D204-I206 PolarHBondContact O-N 3.26Å; D204-N208 WeakPolarHBondContact CB-ND2 3.47Å; D204-N208 WeakPolarHBondContact O-CA 3.46Å; D204-N208 WeakPolarHBondContact O-CB 3.43Å; D204-N208 PolarHBondContact O-N 2.82Å; D204-N208 PolarHBondContact OD1-ND2 2.96Å; D204-F249 HydrophobicContact CB-CD2 4.42Å; D204-F249 HydrophobicContact CB-CE2 3.64Å; D204-F249 HydrophobicContact CB-CZ 4.49Å; D204-K253 VanDerWaalsContact OD2-CE 3.24Å; D204-K253 WeakPolarHBondContact OD2-CE 3.5Å; D204-K253 IonicContact OD2-NZ 3.58Å; D204-K253 PolarHBondContact OD2-NZ 3.03Å
205L98.7Very high97.9Very high1 Ų124 Ų241%0.00513%0.125CC..Iπ-helixtrans-56.9-46.3173175.760.7000110.7I161 F201 Y202 V209 I210 L246 F249 I278I161-L205 HydrophobicContact CD1-CD2 3.99Å; F201-L205 HydrophobicContact CE1-CD2 4.37Å; F201-L205 WeakPolarHBondContact O-CB 3.3Å; F201-L205 PolarHBondContact O-N 3.45Å; Y202-L205 HydrophobicContact CD1-CD2 4.11Å; Y202-L205 HydrophobicContact CE1-CD2 4.29Å; Y202-L205 PolarHBondContact O-N 3.4Å; L205-V209 HydrophobicContact CD1-CB 4.24Å; L205-V209 HydrophobicContact CD1-CG2 4.37Å; L205-V209 VanDerWaalsContact O-CB 3.28Å; L205-V209 WeakPolarHBondContact O-CB 3.42Å; L205-V209 PolarHBondContact O-N 3.27Å; L205-I210 HydrophobicContact CD1-CD1 4.29Å; L205-I210 HydrophobicContact CD1-CG1 4.36Å; L205-I210 HydrophobicContact CD2-CD1 4.48Å; L205-I210 HydrophobicContact CG-CD1 3.95Å; L205-I210 HydrophobicContact CG-CG1 4.43Å; L205-I210 PolarHBondContact O-N 3.31Å; L205-L246 HydrophobicContact CD1-CD1 3.33Å; L205-F249 HydrophobicContact CB-CE1 4Å; L205-F249 HydrophobicContact CB-CZ 3.79Å; L205-F249 HydrophobicContact CD1-CD1 4.23Å; L205-F249 HydrophobicContact CD1-CE1 3.91Å; L205-F249 HydrophobicContact CG-CE1 4.49Å; L205-I278 HydrophobicContact CD1-CD1 3.83Å; L205-I278 HydrophobicContact CD2-CD1 3.75Å; L205-I278 HydrophobicContact CG-CD1 4.44Å
206I98.7Very high97.9Very high0 Ų024.5 Ų24.50%013%0.129CC..Iπ-helixtrans-70.4-52.2-179.3-68167.3000110.5I46 T77 L79 L133 I165 Y202 S203 D204 I210 S211I46-I206 HydrophobicContact CG2-CD1 3.52Å; I46-I206 HydrophobicContact CG2-CG2 4.28Å; T77-I206 HydrophobicContact CG2-CG2 4.34Å; L79-I206 HydrophobicContact CB-CG2 4.34Å; L79-I206 HydrophobicContact CD2-CD1 4.49Å; L79-I206 HydrophobicContact CD2-CG1 3.96Å; L79-I206 HydrophobicContact CD2-CG2 4.23Å; L133-I206 HydrophobicContact CD1-CG2 4.22Å; I165-I206 HydrophobicContact CD1-CD1 4.35Å; Y202-I206 WeakPolarHBondContact O-CB 3.46Å; Y202-I206 VanDerWaalsContact O-CG1 3.29Å; Y202-I206 WeakPolarHBondContact O-CG1 3.33Å; Y202-I206 PolarHBondContact O-N 3.42Å; S203-I206 PolarHBondContact O-N 3.34Å; D204-I206 VanDerWaalsContact C-N 3.29Å; D204-I206 PolarHBondContact O-N 3.26Å; I206-I210 PolarHBondContact O-N 3.09Å; I206-S211 VanDerWaalsContact O-CB 3.3Å; I206-S211 WeakPolarHBondContact O-CB 3.49Å; I206-S211 PolarHBondContact O-N 3.39Å
207H98.3Very high97.9Very high49 Ų4922.1 Ų22.123%0.22711%0.114CC..Iπ-helixtrans-78.3-37.4-172-75-60.3000114.2T77 S203 S211T77-H207 PolarHBondContact OG1-CE1 2.95Å; S203-H207 WeakPolarHBondContact O-CB 3.23Å; S203-H207 PolarHBondContact O-CD2 2.93Å; S203-H207 VanDerWaalsContact O-CD2 3.3Å; S203-H207 PolarHBondContact O-N 2.82Å; H207-S211 PolarHBondContact O-OG 3.27Å
208N97.8Very high97.9Very high83 Ų8325.6 Ų25.644%0.44412%0.122SC..Iπ-helixtrans-98.8-18.9-172.3-54.8-29000113.1D204 K212D204-N208 WeakPolarHBondContact CB-ND2 3.47Å; D204-N208 WeakPolarHBondContact O-CA 3.46Å; D204-N208 WeakPolarHBondContact O-CB 3.43Å; D204-N208 PolarHBondContact O-N 2.82Å; D204-N208 PolarHBondContact OD1-ND2 2.96Å; N208-K212 WeakPolarHBondContact O-CD 3.4Å; N208-K212 WeakPolarHBondContact O-CE 3.31Å; N208-K212 PolarHBondContact O-NZ 3.23Å
209V98.2Very high97.6Very high2 Ų229 Ų291%0.01215%0.146CC..Iπ-helixtrans-112.8-73.5177.8-172.50000110.5L205 S211 K212 F213 T245 L246 F249L205-V209 HydrophobicContact CD1-CB 4.24Å; L205-V209 HydrophobicContact CD1-CG2 4.37Å; L205-V209 VanDerWaalsContact O-CB 3.28Å; L205-V209 WeakPolarHBondContact O-CB 3.42Å; L205-V209 PolarHBondContact O-N 3.27Å; V209-S211 VanDerWaalsContact C-N 3.35Å; V209-S211 PolarHBondContact O-N 3.36Å; V209-K212 WeakPolarHBondContact O-CB 3.45Å; V209-K212 PolarHBondContact O-N 3.48Å; V209-F213 VanDerWaalsContact O-CD2 3.26Å; V209-F213 WeakPolarHBondContact O-CD2 3.26Å; V209-F213 WeakPolarHBondContact O-CE2 3.37Å; V209-T245 HydrophobicContact CB-CG2 4.27Å; V209-T245 HydrophobicContact CG1-CG2 3.91Å; V209-T245 HydrophobicContact CG2-CG2 4.24Å; V209-L246 HydrophobicContact CG1-CB 4.07Å; V209-L246 HydrophobicContact CG1-CD1 3.88Å; V209-L246 HydrophobicContact CG2-CD1 4.43Å; V209-F249 HydrophobicContact CG2-CB 3.59Å; V209-F249 HydrophobicContact CG2-CD1 4.12Å; V209-F249 HydrophobicContact CG2-CD2 4.09Å; V209-F249 HydrophobicContact CG2-CG 3.66Å
210I98.2Very high97.3Very high0 Ų034.1 Ų34.10%017%0.174CC..G310 helixtrans-63.8-39.7-166.1-60.3172.1000111.6L79 Y135 I161 L205 I206 K212 F213 C214 L463L79-I210 HydrophobicContact CD1-CG2 3.99Å; L79-I210 HydrophobicContact CD2-CB 4.41Å; L79-I210 HydrophobicContact CD2-CD1 4.01Å; L79-I210 HydrophobicContact CD2-CG2 3.83Å; Y135-I210 HydrophobicContact CD2-CG2 4.11Å; I161-I210 HydrophobicContact CD1-CD1 3.87Å; L205-I210 HydrophobicContact CD1-CD1 4.29Å; L205-I210 HydrophobicContact CD1-CG1 4.36Å; L205-I210 HydrophobicContact CD2-CD1 4.48Å; L205-I210 HydrophobicContact CG-CD1 3.95Å; L205-I210 HydrophobicContact CG-CG1 4.43Å; L205-I210 PolarHBondContact O-N 3.31Å; I206-I210 PolarHBondContact O-N 3.09Å; I210-K212 PolarHBondContact O-N 3.05Å; I210-F213 CarbonylContact O-C 3.56Å; I210-F213 WeakPolarHBondContact O-CA 3.27Å; I210-F213 PolarHBondContact O-N 3.04Å; I210-C214 PolarHBondContact O-N 2.78Å; I210-C214 PolarHBondContact O-SG 2.92Å; I210-L463 HydrophobicContact CD1-CD2 3.96Å; I210-L463 HydrophobicContact CG1-CD2 4.12Å
211S97.5Very high96.8Very high21 Ų2133 Ų3315%0.14718%0.175CC..G310 helixtrans-56-29.4-177.680.40000113.8I206 H207 V209 F213 C214 N226I206-S211 VanDerWaalsContact O-CB 3.3Å; I206-S211 WeakPolarHBondContact O-CB 3.49Å; I206-S211 PolarHBondContact O-N 3.39Å; H207-S211 PolarHBondContact O-OG 3.27Å; V209-S211 VanDerWaalsContact C-N 3.35Å; V209-S211 PolarHBondContact O-N 3.36Å; S211-F213 PolarHBondContact O-N 3.17Å; S211-C214 PolarHBondContact O-N 3.22Å; S211-N226 WeakPolarHBondContact O-CB 3.24Å; S211-N226 PolarHBondContact O-ND2 3.17Å
212K96.2Very high96.5Very high77 Ų7737.6 Ų37.634%0.33520%0.2SC..G310 helixtrans-64.9-27177.2-65.9171.1174.7163.70111.9N208 V209 I210 R227 I230 T245N208-K212 WeakPolarHBondContact O-CD 3.4Å; N208-K212 WeakPolarHBondContact O-CE 3.31Å; N208-K212 PolarHBondContact O-NZ 3.23Å; V209-K212 WeakPolarHBondContact O-CB 3.45Å; V209-K212 PolarHBondContact O-N 3.48Å; I210-K212 PolarHBondContact O-N 3.05Å; K212-R227 WeakPolarHBondContact O-CB 3.32Å; K212-I230 HydrophobicContact CB-CD1 4.41Å; K212-T245 HydrophobicContact CD-CG2 4.15Å
213F96.5Very high96.3Very high0 Ų040.2 Ų40.20%021%0.214CC..G310 helixtrans-104.117.1-179.3-52-90.4000111.9Y135 V209 I210 S211 I230 F238 Q241 F242Y135-F213 HydrophobicContact CD2-CB 4.23Å; Y135-F213 HydrophobicContact CE2-CB 3.86Å; V209-F213 VanDerWaalsContact O-CD2 3.26Å; V209-F213 WeakPolarHBondContact O-CD2 3.26Å; V209-F213 WeakPolarHBondContact O-CE2 3.37Å; I210-F213 CarbonylContact O-C 3.56Å; I210-F213 WeakPolarHBondContact O-CA 3.27Å; I210-F213 PolarHBondContact O-N 3.04Å; S211-F213 PolarHBondContact O-N 3.17Å; F213-I230 HydrophobicContact CD1-CG2 3.38Å; F213-I230 HydrophobicContact CE1-CG2 3.39Å; F213-I230 HydrophobicContact CG-CG2 4.43Å; F213-I230 HydrophobicContact CZ-CG2 4.43Å; F213-F238 HydrophobicContact CB-CE2 4.19Å; F213-F238 HydrophobicContact CB-CZ 4.2Å; F213-F238 HydrophobicContact CD1-CD2 4.11Å; F213-F238 AromaticContact CD1-CE2 3.58Å; F213-F238 HydrophobicContact CD1-CE2 3.58Å; F213-F238 AromaticContact CD1-CZ 3.83Å; F213-F238 HydrophobicContact CD1-CZ 3.83Å; F213-F238 HydrophobicContact CE1-CE2 4.5Å; F213-F238 HydrophobicContact CG-CE2 4.33Å; F213-F238 HydrophobicContact CG-CZ 4.35Å; F213-Q241 HydrophobicContact CE1-CB 4.29Å; F213-Q241 HydrophobicContact CZ-CB 4.46Å; F213-F242 HydrophobicContact CB-CD2 4.2Å; F213-F242 HydrophobicContact CB-CE2 4.28Å; F213-F242 HydrophobicContact CD1-CB 4.35Å; F213-F242 AromaticContact CD1-CD2 3.73Å; F213-F242 HydrophobicContact CD1-CD2 3.73Å; F213-F242 HydrophobicContact CD1-CG 4.5Å; F213-F242 AromaticContact CD2-CD2 3.5Å; F213-F242 HydrophobicContact CD2-CD2 3.5Å; F213-F242 AromaticContact CD2-CE2 3.75Å; F213-F242 HydrophobicContact CD2-CE2 3.75Å; F213-F242 HydrophobicContact CD2-CG 4.39Å; F213-F242 HydrophobicContact CE1-CB 3.79Å; F213-F242 AromaticContact CE1-CD2 3.94Å; F213-F242 HydrophobicContact CE1-CD2 3.94Å; F213-F242 HydrophobicContact CE1-CG 4.29Å; F213-F242 HydrophobicContact CE2-CB 4.37Å; F213-F242 AromaticContact CE2-CD2 3.75Å; F213-F242 HydrophobicContact CE2-CD2 3.75Å; F213-F242 HydrophobicContact CE2-CE2 4.26Å; F213-F242 HydrophobicContact CE2-CG 4.2Å; F213-F242 AromaticContact CG-CD2 3.53Å; F213-F242 HydrophobicContact CG-CD2 3.53Å; F213-F242 AromaticContact CG-CE2 3.96Å; F213-F242 HydrophobicContact CG-CE2 3.96Å; F213-F242 HydrophobicContact CZ-CB 3.84Å; F213-F242 AromaticContact CZ-CD2 3.98Å; F213-F242 HydrophobicContact CZ-CD2 3.98Å; F213-F242 HydrophobicContact CZ-CG 4.17Å
214C97.1Very high96.1Very high0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-108.2157.7-179.9-70.80000112.7L133 L134 I210 S211 N226L133-C214 HydrophobicContact CB-CB 4.12Å; L133-C214 HydrophobicContact CD2-CB 4.45Å; L134-C214 WeakPolarHBondContact O-CA 3.28Å; I210-C214 PolarHBondContact O-N 2.78Å; I210-C214 PolarHBondContact O-SG 2.92Å; S211-C214 PolarHBondContact O-N 3.22Å; C214-N226 VanDerWaalsContact O-CB 3.28Å; C214-N226 WeakPolarHBondContact O-CB 3.48Å; C214-N226 VanDerWaalsContact O-CG 3.31Å; C214-N226 PolarHBondContact O-N 2.83Å
215Y96.3Very high95.9Very high44 Ų4441.5 Ų41.517%0.17323%0.225CC..EExtended strand (participates in β ladder)trans-88.9151.3154.9-61.5-96.3000109.3L133 L134 R136 L223 V224 A225 L231L133-Y215 CarbonylContact C-O 3.53Å; L133-Y215 WeakPolarHBondContact CA-O 3.36Å; L134-Y215 PolarHBondContact N-O 3.48Å; L134-Y215 PolarHBondContact O-N 3.19Å; R136-Y215 HydrophobicContact CB-CD2 4.07Å; R136-Y215 HydrophobicContact CB-CE2 3.77Å; R136-Y215 HydrophobicContact CG-CE2 4.38Å; Y215-L223 HydrophobicContact CD1-CB 4.17Å; Y215-L223 HydrophobicContact CG-CB 4.33Å; Y215-V224 CarbonylContact C-O 3.57Å; Y215-V224 VanDerWaalsContact CA-O 3.3Å; Y215-V224 WeakPolarHBondContact CA-O 3.4Å; Y215-A225 HydrophobicContact CD1-CB 3.97Å; Y215-A225 HydrophobicContact CE1-CB 3.85Å; Y215-L231 HydrophobicContact CD1-CD1 4.43Å; Y215-L231 HydrophobicContact CD2-CD1 4.18Å; Y215-L231 HydrophobicContact CE1-CD1 4.18Å; Y215-L231 HydrophobicContact CE2-CD1 3.9Å; Y215-L231 HydrophobicContact CE2-CD2 4.39Å; Y215-L231 HydrophobicContact CG-CD1 4.43Å
216T97.6Very high95.6Very high23 Ų2344.4 Ų44.414%0.14124%0.241CC..EExtended strand (participates in β ladder)trans-102.3130.8167.4-65.10000109.7I132 V224 N226I132-T216 WeakPolarHBondContact O-CA 3.42Å; T216-V224 PolarHBondContact N-O 3.48Å; T216-V224 PolarHBondContact O-N 3.32Å; T216-N226 WeakPolarHBondContact CB-OD1 3.19Å; T216-N226 PolarHBondContact N-OD1 2.91Å; T216-N226 PolarHBondContact OG1-ND2 2.86Å; T216-N226 PolarHBondContact OG1-OD1 2.93Å
217L97.8Very high95.3Very high2 Ų249.3 Ų49.31%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-75.7137.1173.7176.567.8000110.5C118 A122 T125 I132 L223C118-L217 HydrophobicContact CB-CD1 4.17Å; C118-L217 HydrophobicContact CB-CD2 4.19Å; C118-L217 WeakPolarHBondContact O-CD2 3.32Å; A122-L217 HydrophobicContact CB-CD2 4.32Å; T125-L217 HydrophobicContact CG2-CD2 4.48Å; T125-L217 HydrophobicContact CG2-CG 4.42Å; I132-L217 HydrophobicContact CB-CB 4.04Å; I132-L217 HydrophobicContact CB-CD2 4.25Å; I132-L217 HydrophobicContact CD1-CD2 4.21Å; I132-L217 HydrophobicContact CG2-CB 4.06Å; I132-L217 HydrophobicContact CG2-CD2 3.91Å; I132-L217 PolarHBondContact O-N 2.82Å; L217-L223 HydrophobicContact CB-CD2 4.07Å; L217-L223 HydrophobicContact CD1-CD2 3.63Å; L217-L223 HydrophobicContact CG-CD2 4.48Å
218R96.1Very high94.9Very high126 Ų12654.6 Ų54.648%0.47528%0.281SS..  trans-105.7164.3175.5-60.1-60-173.8172.30.7111.2T125 N220 G221 N222 V224T125-R218 VanDerWaalsContact OG1-C 3.3Å; R218-N220 VanDerWaalsContact CB-OD1 3.3Å; R218-N220 WeakPolarHBondContact CB-OD1 3.27Å; R218-N220 PolarHBondContact O-N 3.14Å; R218-G221 WeakPolarHBondContact O-CA 3.45Å; R218-G221 PolarHBondContact O-N 3.28Å; R218-N222 WeakPolarHBondContact CB-O 3.49Å; R218-N222 PolarHBondContact N-O 3.29Å; R218-V224 HydrophobicContact CG-CG2 3.8Å
219S93.4Very high94.5Very high71 Ų7154.5 Ų54.550%0.49728%0.281SS..THydrogen-bonded Turntrans-62.5-27.7-177.6540000113.8T125 G221T125-S219 WeakPolarHBondContact OG1-CA 3.38Å; T125-S219 PolarHBondContact OG1-N 3.11Å; S219-G221 PolarHBondContact O-N 2.96Å
220N90.9Very high93.9Very high108 Ų10854.7 Ų54.758%0.57828%0.282SS*.THydrogen-bonded Turntrans-81.97.717362.74.9000113.8R218 N222R218-N220 VanDerWaalsContact CB-OD1 3.3Å; R218-N220 WeakPolarHBondContact CB-OD1 3.27Å; R218-N220 PolarHBondContact O-N 3.14Å; N220-N222 VanDerWaalsContact C-N 3.26Å; N220-N222 VanDerWaalsContact CG-ND2 3.33Å; N220-N222 PolarHBondContact ND2-ND2 2.98Å; N220-N222 VanDerWaalsContact ND2-ND2 3.1Å; N220-N222 PolarHBondContact O-N 3.28Å; N220-N222 VanDerWaalsContact OD1-CB 3.26Å; N220-N222 WeakPolarHBondContact OD1-CB 3.32Å; N220-N222 PolarHBondContact OD1-N 3.24Å; N220-N222 VanDerWaalsContact OD1-N 3.08Å; N220-N222 PolarHBondContact OD1-ND2 3.21Å
221G89.2Confident93.2Very high33 Ų3356.3 Ų56.334%0.3429%0.29SS..SBendtrans81.1-4.6-17800000115R218 S219R218-G221 WeakPolarHBondContact O-CA 3.45Å; R218-G221 PolarHBondContact O-N 3.28Å; S219-G221 PolarHBondContact O-N 2.96Å
222N92Very high92.6Very high97 Ų9760 Ų6052%0.51932%0.316SS..  trans-75.4151.5179.9-70.8-41.5000112.3R218 N220R218-N222 WeakPolarHBondContact CB-O 3.49Å; R218-N222 PolarHBondContact N-O 3.29Å; N220-N222 VanDerWaalsContact C-N 3.26Å; N220-N222 VanDerWaalsContact CG-ND2 3.33Å; N220-N222 PolarHBondContact ND2-ND2 2.98Å; N220-N222 VanDerWaalsContact ND2-ND2 3.1Å; N220-N222 PolarHBondContact O-N 3.28Å; N220-N222 VanDerWaalsContact OD1-CB 3.26Å; N220-N222 WeakPolarHBondContact OD1-CB 3.32Å; N220-N222 PolarHBondContact OD1-N 3.24Å; N220-N222 VanDerWaalsContact OD1-N 3.08Å; N220-N222 PolarHBondContact OD1-ND2 3.21Å
223L93.6Very high92.1Very high55 Ų5557.8 Ų57.829%0.28831%0.312SS..EExtended strand (participates in β ladder)trans-106.6126.6178.4-58.2-169.2000110.9L86 L134 Y215 L217L86-L223 HydrophobicContact CD1-CD1 4Å; L86-L223 HydrophobicContact CD2-CD1 4.26Å; L86-L223 HydrophobicContact CG-CD1 4.49Å; L134-L223 HydrophobicContact CD1-CD1 3.66Å; L134-L223 HydrophobicContact CD1-CD2 3.31Å; L134-L223 HydrophobicContact CD1-CG 4.12Å; Y215-L223 HydrophobicContact CD1-CB 4.17Å; Y215-L223 HydrophobicContact CG-CB 4.33Å; L217-L223 HydrophobicContact CB-CD2 4.07Å; L217-L223 HydrophobicContact CD1-CD2 3.63Å; L217-L223 HydrophobicContact CG-CD2 4.48Å
224V94.8Very high91.8Very high57 Ų5761.1 Ų61.135%0.34534%0.335SS..EExtended strand (participates in β ladder)trans-113.1122.8177.9-178.60000109.4Y215 T216 R218 N226Y215-V224 CarbonylContact C-O 3.57Å; Y215-V224 VanDerWaalsContact CA-O 3.3Å; Y215-V224 WeakPolarHBondContact CA-O 3.4Å; T216-V224 PolarHBondContact N-O 3.48Å; T216-V224 PolarHBondContact O-N 3.32Å; R218-V224 HydrophobicContact CG-CG2 3.8Å; V224-N226 PolarHBondContact O-N 2.93Å
225A94.3Very high91.4Very high23 Ų2363.5 Ų63.519%0.1935%0.352CS..EExtended strand (participates in β ladder)trans-61.8128.6176.400000111Y215 K228 L231Y215-A225 HydrophobicContact CD1-CB 3.97Å; Y215-A225 HydrophobicContact CE1-CB 3.85Å; A225-K228 HydrophobicContact CB-CG 3.97Å; A225-L231 HydrophobicContact CB-CD1 3.71Å
226N94.1Very high91.2Very high62 Ų6265.2 Ų65.233%0.33237%0.37SS..SBendtrans-70-36.8176.3-69.3-4.6000111.6S211 C214 T216 V224S211-N226 WeakPolarHBondContact O-CB 3.24Å; S211-N226 PolarHBondContact O-ND2 3.17Å; C214-N226 VanDerWaalsContact O-CB 3.28Å; C214-N226 WeakPolarHBondContact O-CB 3.48Å; C214-N226 VanDerWaalsContact O-CG 3.31Å; C214-N226 PolarHBondContact O-N 2.83Å; T216-N226 WeakPolarHBondContact CB-OD1 3.19Å; T216-N226 PolarHBondContact N-OD1 2.91Å; T216-N226 PolarHBondContact OG1-ND2 2.86Å; T216-N226 PolarHBondContact OG1-OD1 2.93Å; V224-N226 PolarHBondContact O-N 2.93Å
227R91.8Very high91Very high102 Ų10266 Ų6639%0.38538%0.377SS..  trans-133.397.4173.7-71.8-68.7-63.9-87.8-4.4109.7K212 D229 I230 L231K212-R227 WeakPolarHBondContact O-CB 3.32Å; R227-D229 VanDerWaalsContact C-N 3.26Å; R227-D229 WeakPolarHBondContact CB-OD1 3.42Å; R227-D229 IonicContact CZ-OD1 3.52Å; R227-D229 IonicContact CZ-OD2 3.68Å; R227-D229 IonicContact NE-OD1 3.13Å; R227-D229 PolarHBondContact NE-OD1 3.22Å; R227-D229 IonicContact NE-OD2 2.71Å; R227-D229 PolarHBondContact NE-OD2 3.04Å; R227-D229 IonicContact NH2-OD1 3.63Å; R227-D229 IonicContact NH2-OD2 2.85Å; R227-D229 PolarHBondContact NH2-OD2 3.47Å; R227-D229 PolarHBondContact O-N 3.25Å; R227-I230 HydrophobicContact CB-CB 3.92Å; R227-I230 HydrophobicContact CB-CD1 3.78Å; R227-I230 HydrophobicContact CB-CG1 3.78Å; R227-I230 HydrophobicContact CG-CD1 3.94Å; R227-I230 HydrophobicContact CG-CG1 4.43Å; R227-I230 PolarHBondContact O-N 3.29Å; R227-L231 WeakPolarHBondContact O-CB 3.41Å; R227-L231 PolarHBondContact O-N 3.27Å
228K89.8Confident90.9Very high161 Ų16166.2 Ų66.270%0.738%0.378SS*.Hα-helixtrans-60.2-40.1-179-72.5-178.1-179.2177.90111.5A225 L231 S232A225-K228 HydrophobicContact CB-CG 3.97Å; K228-L231 PolarHBondContact O-N 2.65Å; K228-S232 VanDerWaalsContact O-CB 3.24Å; K228-S232 WeakPolarHBondContact O-CB 3.41Å; K228-S232 PolarHBondContact O-N 3.46Å; K228-S232 PolarHBondContact O-OG 2.84Å
229D88.7Confident90.8Very high81 Ų8162.4 Ų62.443%0.43337%0.365SS..Hα-helixtrans-61.6-40.6178.859.9-53.5000112.8R227 A233R227-D229 VanDerWaalsContact C-N 3.26Å; R227-D229 WeakPolarHBondContact CB-OD1 3.42Å; R227-D229 IonicContact CZ-OD1 3.52Å; R227-D229 IonicContact CZ-OD2 3.68Å; R227-D229 IonicContact NE-OD1 3.13Å; R227-D229 PolarHBondContact NE-OD1 3.22Å; R227-D229 IonicContact NE-OD2 2.71Å; R227-D229 PolarHBondContact NE-OD2 3.04Å; R227-D229 IonicContact NH2-OD1 3.63Å; R227-D229 IonicContact NH2-OD2 2.85Å; R227-D229 PolarHBondContact NH2-OD2 3.47Å; R227-D229 PolarHBondContact O-N 3.25Å; D229-A233 WeakPolarHBondContact O-CB 3.49Å; D229-A233 PolarHBondContact O-N 2.82Å
230I85.7Confident91Very high5 Ų564.9 Ų64.93%0.02637%0.369CS..Hα-helixtrans-75-45.3178.6-58.8-176.6000110.7K212 F213 R227 S232 A233 F238K212-I230 HydrophobicContact CB-CD1 4.41Å; F213-I230 HydrophobicContact CD1-CG2 3.38Å; F213-I230 HydrophobicContact CE1-CG2 3.39Å; F213-I230 HydrophobicContact CG-CG2 4.43Å; F213-I230 HydrophobicContact CZ-CG2 4.43Å; R227-I230 HydrophobicContact CB-CB 3.92Å; R227-I230 HydrophobicContact CB-CD1 3.78Å; R227-I230 HydrophobicContact CB-CG1 3.78Å; R227-I230 HydrophobicContact CG-CD1 3.94Å; R227-I230 HydrophobicContact CG-CG1 4.43Å; R227-I230 PolarHBondContact O-N 3.29Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 2.94Å; I230-A233 VanDerWaalsContact O-CB 3.24Å; I230-A233 WeakPolarHBondContact O-CB 3.46Å; I230-A233 PolarHBondContact O-N 2.99Å; I230-F238 HydrophobicContact CG2-CD2 4.23Å
231L84.4Confident91.3Very high35 Ų3562.5 Ų62.518%0.18335%0.354CS..Hα-helixtrans-76.2-16.9-175.6-69.7173.1000113.8Y215 A225 R227 K228 F238Y215-L231 HydrophobicContact CD1-CD1 4.43Å; Y215-L231 HydrophobicContact CD2-CD1 4.18Å; Y215-L231 HydrophobicContact CE1-CD1 4.18Å; Y215-L231 HydrophobicContact CE2-CD1 3.9Å; Y215-L231 HydrophobicContact CE2-CD2 4.39Å; Y215-L231 HydrophobicContact CG-CD1 4.43Å; A225-L231 HydrophobicContact CB-CD1 3.71Å; R227-L231 WeakPolarHBondContact O-CB 3.41Å; R227-L231 PolarHBondContact O-N 3.27Å; K228-L231 PolarHBondContact O-N 2.65Å; L231-F238 HydrophobicContact CD2-CE2 4.18Å
232S85.1Confident91.6Very high97 Ų9760.9 Ų60.968%0.67834%0.338SS*.THydrogen-bonded Turntrans-95.2-6.7170.870.30000113.6K228 I230K228-S232 VanDerWaalsContact O-CB 3.24Å; K228-S232 WeakPolarHBondContact O-CB 3.41Å; K228-S232 PolarHBondContact O-N 3.46Å; K228-S232 PolarHBondContact O-OG 2.84Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 2.94Å
233A86Confident91.9Very high32 Ų3259 Ų5926%0.26433%0.326SS..SBendtrans-62.8163.2-178.600000112.5D229 I230D229-A233 WeakPolarHBondContact O-CB 3.49Å; D229-A233 PolarHBondContact O-N 2.82Å; I230-A233 VanDerWaalsContact O-CB 3.24Å; I230-A233 WeakPolarHBondContact O-CB 3.46Å; I230-A233 PolarHBondContact O-N 2.99Å
234S88.9Confident92.2Very high69 Ų6959.8 Ų59.848%0.48333%0.331SS..  trans-61.6156.9169.867.40000111.1S236 S237 F238S234-S236 PolarHBondContact O-N 2.68Å; S234-S236 PolarHBondContact OG-OG 3.02Å; S234-S237 PolarHBondContact O-N 3.01Å; S234-S237 WeakPolarHBondContact OG-CB 3.36Å; S234-S237 PolarHBondContact OG-N 3.48Å; S234-F238 PolarHBondContact O-N 2.82Å
235S89.5Confident92.3Very high51 Ų5158.8 Ų58.836%0.35733%0.325SS..Hα-helixtrans-52.5-42.4176.4-177.50000112.3Q239 Y282S235-Q239 WeakPolarHBondContact O-CB 3.33Å; S235-Q239 WeakPolarHBondContact O-CG 3.17Å; S235-Q239 PolarHBondContact O-N 3.17Å; S235-Q239 PolarHBondContact OG-NE2 2.89Å; S235-Y282 PolarHBondContact OG-OH 3.45Å
236S92Very high92.5Very high79 Ų7957.7 Ų57.755%0.55232%0.316SS*.Hα-helixtrans-67.9-43.9179.651.70000112.5S234 Q239 Q240S234-S236 PolarHBondContact O-N 2.68Å; S234-S236 PolarHBondContact OG-OG 3.02Å; S236-Q239 PolarHBondContact O-N 2.86Å; S236-Q240 WeakPolarHBondContact O-CB 3.27Å; S236-Q240 PolarHBondContact O-N 3.48Å
237S93.8Very high92.7Very high41 Ų4155.3 Ų55.329%0.28730%0.304SS..Hα-helixtrans-66-40.1177.9-179.40000111.7S234 Q240 Q241S234-S237 PolarHBondContact O-N 3.01Å; S234-S237 WeakPolarHBondContact OG-CB 3.36Å; S234-S237 PolarHBondContact OG-N 3.48Å; S237-Q240 PolarHBondContact O-N 2.89Å; S237-Q241 WeakPolarHBondContact O-CB 3.45Å; S237-Q241 VanDerWaalsContact O-CG 3.26Å; S237-Q241 WeakPolarHBondContact O-CG 3.35Å; S237-Q241 PolarHBondContact O-N 3.3Å; S237-Q241 PolarHBondContact OG-NE2 3.35Å
238F94.1Very high93Very high6 Ų655.6 Ų55.63%0.02631%0.313CS..Hα-helixtrans-58.4-49.6172.8179-80.7000111.1Y135 P138 F213 I230 L231 S234 Q240 Q241 F242 Y282Y135-F238 HydrophobicContact CE2-CZ 4.28Å; Y135-F238 WeakPolarHBondContact OH-CZ 3.16Å; P138-F238 HydrophobicContact CG-CD1 3.76Å; P138-F238 HydrophobicContact CG-CE1 3.75Å; P138-F238 HydrophobicContact CG-CG 4.22Å; P138-F238 HydrophobicContact CG-CZ 4.19Å; F213-F238 HydrophobicContact CB-CE2 4.19Å; F213-F238 HydrophobicContact CB-CZ 4.2Å; F213-F238 HydrophobicContact CD1-CD2 4.11Å; F213-F238 AromaticContact CD1-CE2 3.58Å; F213-F238 HydrophobicContact CD1-CE2 3.58Å; F213-F238 AromaticContact CD1-CZ 3.83Å; F213-F238 HydrophobicContact CD1-CZ 3.83Å; F213-F238 HydrophobicContact CE1-CE2 4.5Å; F213-F238 HydrophobicContact CG-CE2 4.33Å; F213-F238 HydrophobicContact CG-CZ 4.35Å; I230-F238 HydrophobicContact CG2-CD2 4.23Å; L231-F238 HydrophobicContact CD2-CE2 4.18Å; S234-F238 PolarHBondContact O-N 2.82Å; F238-Q240 PolarHBondContact O-N 2.96Å; F238-Q241 PolarHBondContact O-N 2.78Å; F238-F242 HydrophobicContact CE1-CD2 4.31Å; F238-F242 HydrophobicContact CZ-CD2 4.32Å; F238-F242 WeakPolarHBondContact O-CB 3.47Å; F238-F242 PolarHBondContact O-N 3.39Å; F238-Y282 HydrophobicContact CD1-CE1 4.17Å; F238-Y282 HydrophobicContact CE1-CE1 4.31Å
239Q95.3Very high93.4Very high45 Ų4548.8 Ų48.821%0.2128%0.284CS..Hα-helixtrans-59.7-47.4-179.2-74.717021.500111.8S235 S236 F242 H243 Y282S235-Q239 WeakPolarHBondContact O-CB 3.33Å; S235-Q239 WeakPolarHBondContact O-CG 3.17Å; S235-Q239 PolarHBondContact O-N 3.17Å; S235-Q239 PolarHBondContact OG-NE2 2.89Å; S236-Q239 PolarHBondContact O-N 2.86Å; Q239-F242 PolarHBondContact O-N 2.81Å; Q239-H243 VanDerWaalsContact O-CB 3.26Å; Q239-H243 WeakPolarHBondContact O-CB 3.36Å; Q239-H243 PolarHBondContact O-N 2.71Å; Q239-Y282 VanDerWaalsContact CD-O 3.27Å; Q239-Y282 HydrophobicContact CG-CD1 4.06Å; Q239-Y282 HydrophobicContact CG-CE1 3.6Å; Q239-Y282 WeakPolarHBondContact CG-O 3.45Å; Q239-Y282 VanDerWaalsContact NE2-CE2 3.27Å; Q239-Y282 PolarHBondContact NE2-OH 3.23Å
240Q96.7Very high93.8Very high123 Ų12345.1 Ų45.158%0.57526%0.264SS*.Hα-helixtrans-62.8-48.1179.2-174.9174.19.600111.5S236 S237 F238 F242 H243 D244S236-Q240 WeakPolarHBondContact O-CB 3.27Å; S236-Q240 PolarHBondContact O-N 3.48Å; S237-Q240 PolarHBondContact O-N 2.89Å; F238-Q240 PolarHBondContact O-N 2.96Å; Q240-F242 VanDerWaalsContact C-N 3.33Å; Q240-F242 PolarHBondContact O-N 2.94Å; Q240-H243 WeakPolarHBondContact O-CB 3.49Å; Q240-H243 PolarHBondContact O-N 2.98Å; Q240-D244 WeakPolarHBondContact O-CB 3.48Å; Q240-D244 PolarHBondContact O-N 2.8Å
241Q96.8Very high94.3Very high58 Ų5848 Ų4827%0.27128%0.278SS..Hα-helixtrans-62.9-39.1179.4-72.3-176.970.700112.5F213 S237 F238 T245F213-Q241 HydrophobicContact CE1-CB 4.29Å; F213-Q241 HydrophobicContact CZ-CB 4.46Å; S237-Q241 WeakPolarHBondContact O-CB 3.45Å; S237-Q241 VanDerWaalsContact O-CG 3.26Å; S237-Q241 WeakPolarHBondContact O-CG 3.35Å; S237-Q241 PolarHBondContact O-N 3.3Å; S237-Q241 PolarHBondContact OG-NE2 3.35Å; F238-Q241 PolarHBondContact O-N 2.78Å; Q241-T245 VanDerWaalsContact O-CB 3.29Å; Q241-T245 WeakPolarHBondContact O-CB 3.35Å; Q241-T245 PolarHBondContact O-N 3.01Å; Q241-T245 PolarHBondContact O-OG1 3.06Å
242F97.3Very high95Very high0 Ų052.2 Ų52.20%030%0.295CS..Hα-helixtrans-65.2-47.8174.9-164.1-67.6000110.9Y135 F213 F238 Q239 Q240 T245 L246 Y280 C283 I285 L463Y135-F242 HydrophobicContact CE2-CD2 4.48Å; Y135-F242 AromaticContact CE2-CE2 3.86Å; Y135-F242 HydrophobicContact CE2-CE2 3.86Å; F213-F242 HydrophobicContact CB-CD2 4.2Å; F213-F242 HydrophobicContact CB-CE2 4.28Å; F213-F242 HydrophobicContact CD1-CB 4.35Å; F213-F242 AromaticContact CD1-CD2 3.73Å; F213-F242 HydrophobicContact CD1-CD2 3.73Å; F213-F242 HydrophobicContact CD1-CG 4.5Å; F213-F242 AromaticContact CD2-CD2 3.5Å; F213-F242 HydrophobicContact CD2-CD2 3.5Å; F213-F242 AromaticContact CD2-CE2 3.75Å; F213-F242 HydrophobicContact CD2-CE2 3.75Å; F213-F242 HydrophobicContact CD2-CG 4.39Å; F213-F242 HydrophobicContact CE1-CB 3.79Å; F213-F242 AromaticContact CE1-CD2 3.94Å; F213-F242 HydrophobicContact CE1-CD2 3.94Å; F213-F242 HydrophobicContact CE1-CG 4.29Å; F213-F242 HydrophobicContact CE2-CB 4.37Å; F213-F242 AromaticContact CE2-CD2 3.75Å; F213-F242 HydrophobicContact CE2-CD2 3.75Å; F213-F242 HydrophobicContact CE2-CE2 4.26Å; F213-F242 HydrophobicContact CE2-CG 4.2Å; F213-F242 AromaticContact CG-CD2 3.53Å; F213-F242 HydrophobicContact CG-CD2 3.53Å; F213-F242 AromaticContact CG-CE2 3.96Å; F213-F242 HydrophobicContact CG-CE2 3.96Å; F213-F242 HydrophobicContact CZ-CB 3.84Å; F213-F242 AromaticContact CZ-CD2 3.98Å; F213-F242 HydrophobicContact CZ-CD2 3.98Å; F213-F242 HydrophobicContact CZ-CG 4.17Å; F238-F242 HydrophobicContact CE1-CD2 4.31Å; F238-F242 HydrophobicContact CZ-CD2 4.32Å; F238-F242 WeakPolarHBondContact O-CB 3.47Å; F238-F242 PolarHBondContact O-N 3.39Å; Q239-F242 PolarHBondContact O-N 2.81Å; Q240-F242 VanDerWaalsContact C-N 3.33Å; Q240-F242 PolarHBondContact O-N 2.94Å; F242-T245 PolarHBondContact O-N 3.11Å; F242-L246 HydrophobicContact CD1-CB 4.42Å; F242-L246 HydrophobicContact CE1-CB 4.27Å; F242-L246 HydrophobicContact CE1-CD2 4.4Å; F242-L246 WeakPolarHBondContact O-CB 3.38Å; F242-L246 PolarHBondContact O-N 2.63Å; F242-Y280 AromaticContact CD1-CD1 3.84Å; F242-Y280 HydrophobicContact CD1-CD1 3.84Å; F242-Y280 HydrophobicContact CD1-CE1 4.13Å; F242-Y280 HydrophobicContact CD2-CE1 4.19Å; F242-Y280 AromaticContact CE1-CD1 3.56Å; F242-Y280 HydrophobicContact CE1-CD1 3.56Å; F242-Y280 HydrophobicContact CE1-CE1 4.04Å; F242-Y280 HydrophobicContact CE2-CD1 4.4Å; F242-Y280 HydrophobicContact CE2-CE1 4.08Å; F242-Y280 HydrophobicContact CG-CD1 4.4Å; F242-Y280 HydrophobicContact CG-CE1 4.23Å; F242-Y280 AromaticContact CZ-CD1 3.87Å; F242-Y280 HydrophobicContact CZ-CD1 3.87Å; F242-Y280 HydrophobicContact CZ-CE1 4.01Å; F242-C283 HydrophobicContact CB-CB 4.3Å; F242-C283 HydrophobicContact CD1-CB 4.2Å; F242-C283 HydrophobicContact CG-CB 4.47Å; F242-I285 HydrophobicContact CD1-CD1 3.6Å; F242-I285 HydrophobicContact CE1-CD1 3.82Å; F242-L463 HydrophobicContact CE1-CD1 4.38Å; F242-L463 HydrophobicContact CE2-CD2 4.43Å; F242-L463 HydrophobicContact CZ-CD1 4.14Å; F242-L463 HydrophobicContact CZ-CD2 3.84Å
243H98Very high95.6Very high57 Ų5748.1 Ų48.126%0.26427%0.265SS..Hα-helixtrans-53.9-56.5177.3-175.190.4000111Q239 Q240 T245 L246 S247 C283 N284Q239-H243 VanDerWaalsContact O-CB 3.26Å; Q239-H243 WeakPolarHBondContact O-CB 3.36Å; Q239-H243 PolarHBondContact O-N 2.71Å; Q240-H243 WeakPolarHBondContact O-CB 3.49Å; Q240-H243 PolarHBondContact O-N 2.98Å; H243-T245 VanDerWaalsContact C-N 3.33Å; H243-T245 PolarHBondContact O-N 2.82Å; H243-L246 PolarHBondContact O-N 3.3Å; H243-S247 VanDerWaalsContact O-CB 3.31Å; H243-S247 WeakPolarHBondContact O-CB 3.4Å; H243-S247 PolarHBondContact O-N 3.17Å; H243-S247 PolarHBondContact O-OG 3.41Å; H243-C283 WeakPolarHBondContact CB-O 3.32Å; H243-C283 PolarHBondContact ND1-O 3.14Å; H243-N284 PolarHBondContact CE1-O 2.95Å; H243-N284 VanDerWaalsContact CE1-O 3.27Å; H243-N284 PolarHBondContact ND1-O 3.24Å
244D98.3Very high96.1Very high72 Ų7248.8 Ų48.839%0.38526%0.262SS..Hα-helixtrans-60.9-43.1-177.1-64.5-18.3000111.2Q240 N248Q240-D244 WeakPolarHBondContact O-CB 3.48Å; Q240-D244 PolarHBondContact O-N 2.8Å; D244-N248 VanDerWaalsContact O-CB 3.22Å; D244-N248 WeakPolarHBondContact O-CB 3.46Å; D244-N248 PolarHBondContact O-N 2.88Å; D244-N248 PolarHBondContact O-ND2 2.89Å
245T98.1Very high96.4Very high35 Ų3550.7 Ų50.722%0.21526%0.263CS..Hα-helixtrans-63.4-45.3179.1-56.50000111.6V209 K212 Q241 F242 H243 F249V209-T245 HydrophobicContact CB-CG2 4.27Å; V209-T245 HydrophobicContact CG1-CG2 3.91Å; V209-T245 HydrophobicContact CG2-CG2 4.24Å; K212-T245 HydrophobicContact CD-CG2 4.15Å; Q241-T245 VanDerWaalsContact O-CB 3.29Å; Q241-T245 WeakPolarHBondContact O-CB 3.35Å; Q241-T245 PolarHBondContact O-N 3.01Å; Q241-T245 PolarHBondContact O-OG1 3.06Å; F242-T245 PolarHBondContact O-N 3.11Å; H243-T245 VanDerWaalsContact C-N 3.33Å; H243-T245 PolarHBondContact O-N 2.82Å; T245-F249 WeakPolarHBondContact O-CB 3.34Å; T245-F249 PolarHBondContact O-N 2.91Å; T245-F249 VanDerWaalsContact O-N 3.15Å
246L98.3Very high96.7Very high0 Ų051.8 Ų51.80%026%0.262CS..Hα-helixtrans-72.2-43.8-179.3-173.577000112L205 V209 F242 H243 N248 F249 L250 I278 I285L205-L246 HydrophobicContact CD1-CD1 3.33Å; V209-L246 HydrophobicContact CG1-CB 4.07Å; V209-L246 HydrophobicContact CG1-CD1 3.88Å; V209-L246 HydrophobicContact CG2-CD1 4.43Å; F242-L246 HydrophobicContact CD1-CB 4.42Å; F242-L246 HydrophobicContact CE1-CB 4.27Å; F242-L246 HydrophobicContact CE1-CD2 4.4Å; F242-L246 WeakPolarHBondContact O-CB 3.38Å; F242-L246 PolarHBondContact O-N 2.63Å; H243-L246 PolarHBondContact O-N 3.3Å; L246-N248 VanDerWaalsContact C-N 3.34Å; L246-N248 PolarHBondContact O-N 2.89Å; L246-F249 HydrophobicContact CD1-CD1 4.05Å; L246-F249 WeakPolarHBondContact O-CB 3.37Å; L246-F249 PolarHBondContact O-N 3.12Å; L246-L250 HydrophobicContact CD2-CD1 4.32Å; L246-L250 HydrophobicContact CG-CD1 4.2Å; L246-L250 HydrophobicContact CG-CG 4.49Å; L246-L250 PolarHBondContact O-N 3.34Å; L246-I278 HydrophobicContact CD1-CD1 3.89Å; L246-I278 HydrophobicContact CD2-CB 4.48Å; L246-I278 HydrophobicContact CD2-CD1 4.47Å; L246-I278 HydrophobicContact CD2-CG2 3.8Å; L246-I285 HydrophobicContact CB-CD1 4.01Å; L246-I285 HydrophobicContact CD2-CB 4.19Å; L246-I285 HydrophobicContact CD2-CD1 3.31Å; L246-I285 HydrophobicContact CD2-CG1 3.77Å; L246-I285 HydrophobicContact CD2-CG2 3.45Å; L246-I285 VanDerWaalsContact CD2-CG2 3.45Å; L246-I285 HydrophobicContact CG-CD1 4.28Å
247S97.5Very high96.9Very high13 Ų1348.1 Ų48.19%0.09124%0.236CC..Hα-helixtrans-63.1-41.9-180-72.10000111.4H243 F249 L250 I251 Y287H243-S247 VanDerWaalsContact O-CB 3.31Å; H243-S247 WeakPolarHBondContact O-CB 3.4Å; H243-S247 PolarHBondContact O-N 3.17Å; H243-S247 PolarHBondContact O-OG 3.41Å; S247-F249 VanDerWaalsContact C-N 3.34Å; S247-F249 PolarHBondContact O-N 2.85Å; S247-L250 PolarHBondContact O-N 3Å; S247-I251 VanDerWaalsContact O-CG1 3.28Å; S247-I251 WeakPolarHBondContact O-CG1 3.34Å; S247-I251 PolarHBondContact O-N 2.94Å; S247-Y287 PolarHBondContact OG-OH 2.96Å
248N98Very high96.8Very high108 Ų10848.3 Ų48.358%0.57823%0.233SC*.Hα-helixtrans-62-41.6172.9-72.8-27.9000112D244 L246 K252D244-N248 VanDerWaalsContact O-CB 3.22Å; D244-N248 WeakPolarHBondContact O-CB 3.46Å; D244-N248 PolarHBondContact O-N 2.88Å; D244-N248 PolarHBondContact O-ND2 2.89Å; L246-N248 VanDerWaalsContact C-N 3.34Å; L246-N248 PolarHBondContact O-N 2.89Å; N248-K252 WeakPolarHBondContact O-CB 3.39Å; N248-K252 PolarHBondContact O-N 3.42Å
249F98.5Very high96.7Very high18 Ų1852.6 Ų52.68%0.07926%0.257CS..Hα-helixtrans-59-47.7173.8161-98000112.1F201 D204 L205 V209 T245 L246 S247 K252 K253 I278F201-F249 HydrophobicContact CD2-CE1 4.29Å; F201-F249 AromaticContact CD2-CZ 3.88Å; F201-F249 HydrophobicContact CD2-CZ 3.88Å; F201-F249 AromaticContact CE2-CE1 3.74Å; F201-F249 HydrophobicContact CE2-CE1 3.74Å; F201-F249 AromaticContact CE2-CZ 3.81Å; F201-F249 HydrophobicContact CE2-CZ 3.81Å; F201-F249 HydrophobicContact CG-CZ 4.46Å; F201-F249 HydrophobicContact CZ-CE1 4.07Å; F201-F249 HydrophobicContact CZ-CZ 4.34Å; F201-F249 WeakPolarHBondContact O-CZ 3.22Å; D204-F249 HydrophobicContact CB-CD2 4.42Å; D204-F249 HydrophobicContact CB-CE2 3.64Å; D204-F249 HydrophobicContact CB-CZ 4.49Å; L205-F249 HydrophobicContact CB-CE1 4Å; L205-F249 HydrophobicContact CB-CZ 3.79Å; L205-F249 HydrophobicContact CD1-CD1 4.23Å; L205-F249 HydrophobicContact CD1-CE1 3.91Å; L205-F249 HydrophobicContact CG-CE1 4.49Å; V209-F249 HydrophobicContact CG2-CB 3.59Å; V209-F249 HydrophobicContact CG2-CD1 4.12Å; V209-F249 HydrophobicContact CG2-CD2 4.09Å; V209-F249 HydrophobicContact CG2-CG 3.66Å; T245-F249 WeakPolarHBondContact O-CB 3.34Å; T245-F249 PolarHBondContact O-N 2.91Å; T245-F249 VanDerWaalsContact O-N 3.15Å; L246-F249 HydrophobicContact CD1-CD1 4.05Å; L246-F249 WeakPolarHBondContact O-CB 3.37Å; L246-F249 PolarHBondContact O-N 3.12Å; S247-F249 VanDerWaalsContact C-N 3.34Å; S247-F249 PolarHBondContact O-N 2.85Å; F249-K252 PolarHBondContact O-N 3.45Å; F249-K253 HydrophobicContact CD2-CG 4.09Å; F249-K253 HydrophobicContact CE1-CG 4.25Å; F249-K253 HydrophobicContact CE2-CD 4.13Å; F249-K253 HydrophobicContact CE2-CG 3.58Å; F249-K253 HydrophobicContact CZ-CD 4.37Å; F249-K253 HydrophobicContact CZ-CG 3.67Å; F249-K253 WeakPolarHBondContact O-CG 3.27Å; F249-K253 PolarHBondContact O-N 3.4Å; F249-I278 HydrophobicContact CE1-CD1 4.47Å
250L97.8Very high96.4Very high3 Ų352.9 Ų52.92%0.01626%0.26CS..Hα-helixtrans-66.4-40.9-179.3-75.9173.2000112.5P12 F201 L246 S247 K252 K253 Y254 I278 Y287P12-L250 HydrophobicContact CG-CD2 4.23Å; F201-L250 HydrophobicContact CE2-CD2 3.98Å; F201-L250 HydrophobicContact CZ-CD2 4.17Å; L246-L250 HydrophobicContact CD2-CD1 4.32Å; L246-L250 HydrophobicContact CG-CD1 4.2Å; L246-L250 HydrophobicContact CG-CG 4.49Å; L246-L250 PolarHBondContact O-N 3.34Å; S247-L250 PolarHBondContact O-N 3Å; L250-K252 VanDerWaalsContact C-N 3.32Å; L250-K252 PolarHBondContact O-N 2.64Å; L250-K253 PolarHBondContact O-N 3.1Å; L250-Y254 WeakPolarHBondContact O-CB 3.33Å; L250-Y254 PolarHBondContact O-N 2.83Å; L250-I278 HydrophobicContact CD1-CD1 4.42Å; L250-I278 HydrophobicContact CD2-CD1 3.97Å; L250-I278 HydrophobicContact CG-CD1 4.47Å; L250-Y287 HydrophobicContact CD1-CD2 3.44Å; L250-Y287 VanDerWaalsContact CD1-CD2 3.44Å; L250-Y287 HydrophobicContact CD1-CE1 4.36Å; L250-Y287 HydrophobicContact CD1-CE2 3.2Å; L250-Y287 HydrophobicContact CD1-CG 4.14Å
251I96.7Very high95.8Very high65 Ų6550.2 Ų50.233%0.33325%0.245SC..Hα-helixtrans-59.9-45.1174.7-70165.8000110.3S247 Y254 Q255S247-I251 VanDerWaalsContact O-CG1 3.28Å; S247-I251 WeakPolarHBondContact O-CG1 3.34Å; S247-I251 PolarHBondContact O-N 2.94Å; I251-Y254 WeakPolarHBondContact O-CB 3.49Å; I251-Y254 PolarHBondContact O-N 2.87Å; I251-Q255 WeakPolarHBondContact O-CG 3.09Å; I251-Q255 PolarHBondContact O-N 3.25Å
252K97.8Very high95.2Very high124 Ų12454.7 Ų54.754%0.53926%0.263SS..Hα-helixtrans-61.5-45.9176.5-174.8-179.9179.1-173.10111.4N248 F249 L250 Y254 Q255 E256N248-K252 WeakPolarHBondContact O-CB 3.39Å; N248-K252 PolarHBondContact O-N 3.42Å; F249-K252 PolarHBondContact O-N 3.45Å; L250-K252 VanDerWaalsContact C-N 3.32Å; L250-K252 PolarHBondContact O-N 2.64Å; K252-Y254 VanDerWaalsContact C-N 3.3Å; K252-Y254 PolarHBondContact O-N 3.04Å; K252-Q255 PolarHBondContact O-N 3.43Å; K252-E256 WeakPolarHBondContact CE-OE1 3.48Å; K252-E256 WeakPolarHBondContact O-CG 3.28Å; K252-E256 PolarHBondContact O-N 3.33Å
253K97.8Very high94.5Very high11 Ų1159.3 Ų59.35%0.04829%0.294CS..Hα-helixtrans-64.1-34.5177.7-72-67.4168.9-158.70113P12 F201 D204 F249 L250 E256 S257P12-K253 HydrophobicContact CB-CB 4.15Å; P12-K253 HydrophobicContact CG-CB 3.58Å; F201-K253 HydrophobicContact CD2-CB 4.28Å; F201-K253 HydrophobicContact CD2-CD 4.17Å; F201-K253 HydrophobicContact CD2-CG 3.95Å; F201-K253 HydrophobicContact CE2-CB 4.46Å; F201-K253 HydrophobicContact CE2-CG 4.33Å; D204-K253 VanDerWaalsContact OD2-CE 3.24Å; D204-K253 WeakPolarHBondContact OD2-CE 3.5Å; D204-K253 IonicContact OD2-NZ 3.58Å; D204-K253 PolarHBondContact OD2-NZ 3.03Å; F249-K253 HydrophobicContact CD2-CG 4.09Å; F249-K253 HydrophobicContact CE1-CG 4.25Å; F249-K253 HydrophobicContact CE2-CD 4.13Å; F249-K253 HydrophobicContact CE2-CG 3.58Å; F249-K253 HydrophobicContact CZ-CD 4.37Å; F249-K253 HydrophobicContact CZ-CG 3.67Å; F249-K253 WeakPolarHBondContact O-CG 3.27Å; F249-K253 PolarHBondContact O-N 3.4Å; L250-K253 PolarHBondContact O-N 3.1Å; K253-E256 WeakPolarHBondContact CD-OE2 3.37Å; K253-E256 IonicContact NZ-OE2 2.71Å; K253-E256 PolarHBondContact NZ-OE2 2.67Å; K253-S257 WeakPolarHBondContact O-CB 2.92Å; K253-S257 PolarHBondContact O-N 2.94Å; K253-S257 PolarHBondContact O-OG 3.44Å
254Y96.8Very high93.5Very high47 Ų4759.4 Ų59.418%0.18430%0.297CS..Hα-helixtrans-64.2-48172.1169.1-108.7000111.5K10 L11 L250 I251 K252 E256 S257 M258K10-Y254 HydrophobicContact CB-CD1 3.8Å; K10-Y254 HydrophobicContact CB-CD2 4.46Å; K10-Y254 HydrophobicContact CB-CE1 4Å; K10-Y254 HydrophobicContact CB-CG 4.04Å; K10-Y254 HydrophobicContact CG-CD1 4.22Å; K10-Y254 HydrophobicContact CG-CE1 3.96Å; K10-Y254 VanDerWaalsContact O-CB 3.29Å; K10-Y254 WeakPolarHBondContact O-CB 3.13Å; L11-Y254 VanDerWaalsContact O-CD2 3.28Å; L11-Y254 WeakPolarHBondContact O-CD2 3.17Å; L250-Y254 WeakPolarHBondContact O-CB 3.33Å; L250-Y254 PolarHBondContact O-N 2.83Å; I251-Y254 WeakPolarHBondContact O-CB 3.49Å; I251-Y254 PolarHBondContact O-N 2.87Å; K252-Y254 VanDerWaalsContact C-N 3.3Å; K252-Y254 PolarHBondContact O-N 3.04Å; Y254-E256 PolarHBondContact O-N 3.42Å; Y254-S257 PolarHBondContact O-N 3.48Å; Y254-S257 PolarHBondContact O-OG 3.34Å; Y254-M258 HydrophobicContact CD2-CE 4.34Å; Y254-M258 HydrophobicContact CD2-CG 4Å; Y254-M258 HydrophobicContact CE1-CG 4.11Å; Y254-M258 HydrophobicContact CE2-CE 3.88Å; Y254-M258 HydrophobicContact CE2-CG 3.55Å; Y254-M258 HydrophobicContact CE2-SD 3.81Å; Y254-M258 HydrophobicContact CG-CG 4.48Å; Y254-M258 WeakPolarHBondContact O-CG 3.39Å; Y254-M258 PolarHBondContact O-N 2.71Å
255Q96.4Very high92.1Very high109 Ų10961.4 Ų61.451%0.50930%0.304SS..Hα-helixtrans-59.9-45.8176.6-70.8170.4-23.800112I251 K252 S257 M258 N259I251-Q255 WeakPolarHBondContact O-CG 3.09Å; I251-Q255 PolarHBondContact O-N 3.25Å; K252-Q255 PolarHBondContact O-N 3.43Å; Q255-S257 VanDerWaalsContact C-N 3.33Å; Q255-S257 PolarHBondContact O-N 2.65Å; Q255-M258 PolarHBondContact O-N 3.37Å; Q255-N259 VanDerWaalsContact O-CG 3.28Å; Q255-N259 PolarHBondContact O-N 2.77Å; Q255-N259 PolarHBondContact O-ND2 2.92Å
256E95.9Very high90.1Very high74 Ų7468 Ų6835%0.34633%0.334SS..Hα-helixtrans-55.7-47.9173.6-73.7171.8-167.900110.9K252 K253 Y254 M258 N259 D260K252-E256 WeakPolarHBondContact CE-OE1 3.48Å; K252-E256 WeakPolarHBondContact O-CG 3.28Å; K252-E256 PolarHBondContact O-N 3.33Å; K253-E256 WeakPolarHBondContact CD-OE2 3.37Å; K253-E256 IonicContact NZ-OE2 2.71Å; K253-E256 PolarHBondContact NZ-OE2 2.67Å; Y254-E256 PolarHBondContact O-N 3.42Å; E256-M258 PolarHBondContact O-N 2.93Å; E256-N259 PolarHBondContact O-N 3.44Å; E256-D260 PolarHBondContact O-N 3.41Å
257S94.4Very high88.3Confident1 Ų174.4 Ų74.41%0.00737%0.368CS..Hα-helixtrans-66.2-35.2179.773.90000113.7I13 K253 Y254 Q255 N259 D260 Y261I13-S257 PolarHBondContact N-OG 3.31Å; I13-S257 VanDerWaalsContact O-CB 3.31Å; I13-S257 WeakPolarHBondContact O-CB 3.39Å; K253-S257 WeakPolarHBondContact O-CB 2.92Å; K253-S257 PolarHBondContact O-N 2.94Å; K253-S257 PolarHBondContact O-OG 3.44Å; Y254-S257 PolarHBondContact O-N 3.48Å; Y254-S257 PolarHBondContact O-OG 3.34Å; Q255-S257 VanDerWaalsContact C-N 3.33Å; Q255-S257 PolarHBondContact O-N 2.65Å; S257-N259 VanDerWaalsContact C-N 3.34Å; S257-D260 PolarHBondContact O-N 3.31Å; S257-Y261 VanDerWaalsContact O-CB 3.28Å; S257-Y261 WeakPolarHBondContact O-CB 3.31Å; S257-Y261 PolarHBondContact O-N 3.16Å
258M92.3Very high86.6Confident45 Ų4581.7 Ų81.722%0.22240%0.399CS..Hα-helixtrans-70.7-33176.8-72-63.4102.600111.8I13 Y254 Q255 E256 K262I13-M258 HydrophobicContact CG2-CE 3.25Å; Y254-M258 HydrophobicContact CD2-CE 4.34Å; Y254-M258 HydrophobicContact CD2-CG 4Å; Y254-M258 HydrophobicContact CE1-CG 4.11Å; Y254-M258 HydrophobicContact CE2-CE 3.88Å; Y254-M258 HydrophobicContact CE2-CG 3.55Å; Y254-M258 HydrophobicContact CE2-SD 3.81Å; Y254-M258 HydrophobicContact CG-CG 4.48Å; Y254-M258 WeakPolarHBondContact O-CG 3.39Å; Y254-M258 PolarHBondContact O-N 2.71Å; Q255-M258 PolarHBondContact O-N 3.37Å; E256-M258 PolarHBondContact O-N 2.93Å; M258-K262 WeakPolarHBondContact O-CG 3.27Å; M258-K262 PolarHBondContact O-N 3.49Å; M258-K262 VanDerWaalsContact O-N 3.14Å
259N91.8Very high85.4Confident97 Ų9782.6 Ų82.652%0.51941%0.41SS..Hα-helixtrans-69.8-45.4174.5-69.5-18.6000110.9Q255 E256 S257 Y261 K262 C263Q255-N259 VanDerWaalsContact O-CG 3.28Å; Q255-N259 PolarHBondContact O-N 2.77Å; Q255-N259 PolarHBondContact O-ND2 2.92Å; E256-N259 PolarHBondContact O-N 3.44Å; S257-N259 VanDerWaalsContact C-N 3.34Å; N259-Y261 VanDerWaalsContact C-N 3.32Å; N259-Y261 PolarHBondContact O-N 3.3Å; N259-K262 PolarHBondContact O-N 3.09Å; N259-C263 PolarHBondContact O-N 2.97Å; N259-C263 PolarHBondContact O-SG 2.88Å; N259-C263 VanDerWaalsContact O-SG 3.35Å
260D88.7Confident84.7Confident51 Ų5184.8 Ų84.827%0.27342%0.42SS..Hα-helixtrans-58.9-43.4174.6-172.152.9000111.7N197 E256 S257 K262 C263 N264N197-D260 PolarHBondContact ND2-OD2 3.23Å; E256-D260 PolarHBondContact O-N 3.41Å; S257-D260 PolarHBondContact O-N 3.31Å; D260-K262 PolarHBondContact O-N 2.98Å; D260-C263 PolarHBondContact O-N 3.35Å; D260-N264 WeakPolarHBondContact O-CB 3.49Å; D260-N264 PolarHBondContact O-N 3.3Å; D260-N264 PolarHBondContact O-ND2 2.87Å; D260-N264 PolarHBondContact OD1-ND2 3.06Å
261Y84.9Confident84.3Confident67 Ų6787 Ų8726%0.26343%0.431SS..Hα-helixtrans-54.7-49.1174.1-176.9-92.1000112.6H15 S257 N259 N264 Q265H15-Y261 AromaticContact CD2-CD2 3.9Å; H15-Y261 AromaticContact CE1-CD2 3.79Å; H15-Y261 AromaticContact CE1-CE2 3.58Å; H15-Y261 AromaticContact NE2-CD2 2.92Å; H15-Y261 WeakPolarHBondContact NE2-CD2 3.41Å; H15-Y261 AromaticContact NE2-CE2 3.12Å; H15-Y261 WeakPolarHBondContact NE2-CE2 3.48Å; S257-Y261 VanDerWaalsContact O-CB 3.28Å; S257-Y261 WeakPolarHBondContact O-CB 3.31Å; S257-Y261 PolarHBondContact O-N 3.16Å; N259-Y261 VanDerWaalsContact C-N 3.32Å; N259-Y261 PolarHBondContact O-N 3.3Å; Y261-N264 PolarHBondContact O-N 3.27Å; Y261-Q265 HydrophobicContact CD1-CG 4.32Å; Y261-Q265 HydrophobicContact CE1-CG 3.84Å; Y261-Q265 VanDerWaalsContact CZ-NE2 3.32Å; Y261-Q265 PolarHBondContact O-N 3Å; Y261-Q265 VanDerWaalsContact O-N 3.1Å; Y261-Q265 PolarHBondContact OH-NE2 2.77Å
262K84.2Confident84.2Confident152 Ų15283.9 Ų83.966%0.66142%0.416SS*.Hα-helixtrans-65.3-40.3-179.9-74.2174.9-178.8-179.20112.4M258 N259 D260M258-K262 WeakPolarHBondContact O-CG 3.27Å; M258-K262 PolarHBondContact O-N 3.49Å; M258-K262 VanDerWaalsContact O-N 3.14Å; N259-K262 PolarHBondContact O-N 3.09Å; D260-K262 PolarHBondContact O-N 2.98Å
263C82.5Confident84.1Confident96 Ų9679.8 Ų79.865%0.64940%0.397SS*.Hα-helixtrans-66.7-37.4179-68.90000112.2N259 D260N259-C263 PolarHBondContact O-N 2.97Å; N259-C263 PolarHBondContact O-SG 2.88Å; N259-C263 VanDerWaalsContact O-SG 3.35Å; D260-C263 PolarHBondContact O-N 3.35Å
264N76.9Confident84Confident59 Ų5979.2 Ų79.232%0.31640%0.395SS..Hα-helixtrans-95.6-8.9-172.2-62.2-36.3000115D260 Y261 M266 N267 F270D260-N264 WeakPolarHBondContact O-CB 3.49Å; D260-N264 PolarHBondContact O-N 3.3Å; D260-N264 PolarHBondContact O-ND2 2.87Å; D260-N264 PolarHBondContact OD1-ND2 3.06Å; Y261-N264 PolarHBondContact O-N 3.27Å; N264-M266 PolarHBondContact O-N 3.46Å; N264-N267 PolarHBondContact O-N 2.86Å; N264-F270 HydrophobicContact CB-CE2 4.28Å; N264-F270 HydrophobicContact CB-CZ 3.81Å
265Q68.2Low84.1Confident115 Ų11577 Ų7754%0.53739%0.386SS..G310 helixtrans-53.9-28.2178.5-106.1-150.813.600113.6Y261 N267Y261-Q265 HydrophobicContact CD1-CG 4.32Å; Y261-Q265 HydrophobicContact CE1-CG 3.84Å; Y261-Q265 VanDerWaalsContact CZ-NE2 3.32Å; Y261-Q265 PolarHBondContact O-N 3Å; Y261-Q265 VanDerWaalsContact O-N 3.1Å; Y261-Q265 PolarHBondContact OH-NE2 2.77Å; Q265-N267 PolarHBondContact O-N 3.18Å
266M57.5Low84.1Confident173 Ų17371.8 Ų71.885%0.85236%0.362SS*.G310 helixtrans-64.1-20.8-176.2-68.2-77.9-168.100114.1N264N264-M266 PolarHBondContact O-N 3.46Å
267N59Low84.2Confident134 Ų13468.3 Ų68.372%0.71735%0.345SS*.G310 helixtrans-108.6-13.1-161.8-75.4-18.4000117.3N264 Q265N264-N267 PolarHBondContact O-N 2.86Å; Q265-N267 PolarHBondContact O-N 3.18Å
268K61.8Low84.4Confident167 Ų16768.3 Ų68.373%0.72635%0.345SS*.  trans169.2153.5167.3-101.7157.4-173.9-178.60110.6F270K268-F270 PolarHBondContact O-N 3.06Å
269P73.3Confident84.6Confident126 Ų12666.1 Ų66.182%0.81834%0.335SS*.  trans-64.2127.9167.427.8-32.8000109.9
270F83.4Confident84.9Confident65 Ų6561.5 Ų61.529%0.28531%0.31SS..  trans-80.1134.4176.3-61.7-79.3000111.3H15 N264 K268 Y273H15-F270 HydrophobicContact CB-CB 4.19Å; H15-F270 HydrophobicContact CB-CD1 3.48Å; H15-F270 VanDerWaalsContact CB-CD1 3.48Å; H15-F270 HydrophobicContact CB-CD2 4.16Å; H15-F270 HydrophobicContact CB-CE1 3.73Å; H15-F270 HydrophobicContact CB-CE2 4.37Å; H15-F270 HydrophobicContact CB-CG 3.69Å; H15-F270 HydrophobicContact CB-CZ 4.16Å; H15-F270 AromaticContact CD2-CD2 3.5Å; H15-F270 VanDerWaalsContact CD2-CD2 3.5Å; H15-F270 WeakPolarHBondContact CD2-CD2 3.32Å; H15-F270 AromaticContact CD2-CE2 3.52Å; H15-F270 AromaticContact CD2-CG 3.92Å; H15-F270 AromaticContact CD2-CZ 3.98Å; H15-F270 AromaticContact CE1-CD2 3.13Å; H15-F270 WeakPolarHBondContact CE1-CD2 3.45Å; H15-F270 AromaticContact CE1-CE2 3.91Å; H15-F270 AromaticContact CE1-CG 3.49Å; H15-F270 VanDerWaalsContact CE1-CG 3.49Å; H15-F270 WeakPolarHBondContact CE1-CG 3.35Å; H15-F270 AromaticContact CG-CD1 3.72Å; H15-F270 AromaticContact CG-CD2 3.46Å; H15-F270 VanDerWaalsContact CG-CD2 3.46Å; H15-F270 AromaticContact CG-CE2 3.83Å; H15-F270 AromaticContact CG-CG 3.38Å; H15-F270 WeakPolarHBondContact ND1-CB 3.42Å; H15-F270 AromaticContact ND1-CD1 3.93Å; H15-F270 AromaticContact ND1-CD2 3.33Å; H15-F270 VanDerWaalsContact ND1-CD2 3.33Å; H15-F270 WeakPolarHBondContact ND1-CD2 3.48Å; H15-F270 AromaticContact ND1-CG 3.17Å; H15-F270 WeakPolarHBondContact ND1-CG 3.39Å; H15-F270 AromaticContact NE2-CD2 3.27Å; H15-F270 VanDerWaalsContact NE2-CD2 3.27Å; H15-F270 WeakPolarHBondContact NE2-CD2 3.33Å; H15-F270 AromaticContact NE2-CE2 3.56Å; H15-F270 AromaticContact NE2-CG 3.96Å; N264-F270 HydrophobicContact CB-CE2 4.28Å; N264-F270 HydrophobicContact CB-CZ 3.81Å; K268-F270 PolarHBondContact O-N 3.06Å; F270-Y273 WeakPolarHBondContact O-CE2 3.42Å; F270-Y273 PolarHBondContact O-OH 2.74Å
271D90.5Very high85.2Confident48 Ų4859.7 Ų59.726%0.25730%0.303SS..  trans-95.8-12.9-177.766.514.7000114.1T471 T472 N473D271-T471 CarbonylContact O-C 3.59Å; D271-T471 VanDerWaalsContact O-CA 3.25Å; D271-T471 WeakPolarHBondContact O-CA 3.26Å; D271-T471 PolarHBondContact O-OG1 3.27Å; D271-T472 PolarHBondContact O-N 3.45Å; D271-T472 PolarHBondContact O-OG1 2.92Å; D271-N473 HydrophobicContact CB-CB 4.26Å; D271-N473 WeakPolarHBondContact OD2-CB 3.48Å; D271-N473 PolarHBondContact OD2-ND2 3.48Å
272T94.8Very high85.7Confident0 Ų058.3 Ų58.30%030%0.298CS..EExtended strand (participates in β ladder)trans-139.9131.9-173.1-53.80000111.1I16 I21 I469 V470 T471 L476I16-T272 HydrophobicContact CG2-CG2 3.63Å; I16-T272 PolarHBondContact N-O 3.02Å; I16-T272 WeakPolarHBondContact O-CB 3.42Å; I21-T272 HydrophobicContact CD1-CG2 4Å; T272-I469 HydrophobicContact CG2-CG2 4.11Å; T272-V470 WeakPolarHBondContact CA-O 3.07Å; T272-T471 PolarHBondContact OG1-OG1 3.22Å; T272-L476 HydrophobicContact CG2-CD2 3.66Å
273Y95Very high86.3Confident38 Ų3851.1 Ų51.115%0.14927%0.266CS..EExtended strand (participates in β ladder)trans-127.3140.3-176.1-61.8-102.2000110.3L3 I13 Y14 H15 F270 I469 V470L3-Y273 HydrophobicContact CD1-CE1 4.07Å; L3-Y273 HydrophobicContact CD2-CD1 3.77Å; L3-Y273 HydrophobicContact CD2-CE1 3.87Å; L3-Y273 HydrophobicContact CD2-CG 4.2Å; I13-Y273 HydrophobicContact CD1-CD1 3.63Å; I13-Y273 HydrophobicContact CD1-CE1 4.39Å; I13-Y273 HydrophobicContact CD1-CG 4.36Å; I13-Y273 HydrophobicContact CG1-CD1 3.99Å; Y14-Y273 CarbonylContact O-C 3.57Å; Y14-Y273 WeakPolarHBondContact O-CA 3.45Å; H15-Y273 AromaticContact CE1-CD1 3.61Å; H15-Y273 AromaticContact CE1-CE1 2.94Å; H15-Y273 WeakPolarHBondContact CE1-CE1 3.23Å; H15-Y273 AromaticContact CE1-CZ 3.48Å; H15-Y273 VanDerWaalsContact CE1-CZ 3.48Å; H15-Y273 AromaticContact ND1-CD1 3.48Å; H15-Y273 WeakPolarHBondContact ND1-CD1 3.4Å; H15-Y273 AromaticContact ND1-CE1 3.23Å; H15-Y273 WeakPolarHBondContact ND1-CE1 3.46Å; H15-Y273 AromaticContact ND1-CZ 3.68Å; F270-Y273 WeakPolarHBondContact O-CE2 3.42Å; F270-Y273 PolarHBondContact O-OH 2.74Å; Y273-I469 WeakPolarHBondContact O-CA 3.47Å; Y273-V470 PolarHBondContact N-O 2.95Å; Y273-V470 PolarHBondContact O-N 2.94Å
274I96.6Very high86.9Confident0 Ų051.7 Ų51.70%026%0.263CS..EExtended strand (participates in β ladder)trans-117.7129.7172.7-63172.7000108.8I13 Y14 I16 F192 F195 L198 L467 C468 I469I13-I274 WeakPolarHBondContact CA-O 3.27Å; Y14-I274 PolarHBondContact N-O 3.07Å; Y14-I274 PolarHBondContact O-N 3.39Å; I16-I274 HydrophobicContact CB-CD1 4.06Å; I16-I274 HydrophobicContact CD1-CD1 3.66Å; I16-I274 HydrophobicContact CG1-CD1 4.46Å; I16-I274 HydrophobicContact CG2-CD1 3.65Å; I16-I274 HydrophobicContact CG2-CG1 3.87Å; F192-I274 HydrophobicContact CD1-CD1 3.44Å; F192-I274 VanDerWaalsContact CD1-CD1 3.44Å; F192-I274 HydrophobicContact CE1-CD1 3.41Å; F192-I274 VanDerWaalsContact CE1-CD1 3.41Å; F192-I274 HydrophobicContact CE1-CG1 4.23Å; F192-I274 HydrophobicContact CG-CD1 4.5Å; F192-I274 HydrophobicContact CZ-CD1 4.45Å; F195-I274 HydrophobicContact CD1-CD1 4.37Å; F195-I274 HydrophobicContact CE1-CD1 3.88Å; L198-I274 HydrophobicContact CD1-CG2 4.39Å; I274-L467 HydrophobicContact CG2-CB 4.39Å; I274-L467 HydrophobicContact CG2-CD1 4.44Å; I274-L467 HydrophobicContact CG2-CD2 4.07Å; I274-C468 CarbonylContact C-O 3.58Å; I274-C468 WeakPolarHBondContact CA-O 3.32Å; I274-I469 HydrophobicContact CG1-CG1 4.17Å
275I97.5Very high87.9Confident0 Ų048.9 Ų48.90%025%0.248CC..EExtended strand (participates in β ladder)trans-122.9105.7177-57.2157.9000107.5I2 T6 L11 I13 L277 F291 C468I2-I275 HydrophobicContact CG2-CD1 4.2Å; T6-I275 HydrophobicContact CG2-CD1 3.99Å; T6-I275 HydrophobicContact CG2-CG1 4.05Å; T6-I275 HydrophobicContact CG2-CG2 3.95Å; T6-I275 WeakPolarHBondContact OG1-CD1 3.44Å; L11-I275 HydrophobicContact CB-CG2 4.08Å; L11-I275 HydrophobicContact CD1-CG2 4.32Å; I13-I275 HydrophobicContact CB-CG1 4.31Å; I13-I275 HydrophobicContact CD1-CD1 4.33Å; I13-I275 HydrophobicContact CD1-CG1 4.05Å; I13-I275 HydrophobicContact CG1-CG1 3.92Å; I275-L277 HydrophobicContact CG2-CD2 3.91Å; I275-L277 PolarHBondContact O-N 3.33Å; I275-F291 HydrophobicContact CD1-CE2 4.02Å; I275-F291 HydrophobicContact CD1-CZ 4.28Å; I275-F291 HydrophobicContact CG2-CE2 4.3Å; I275-C468 HydrophobicContact CB-CB 4.2Å; I275-C468 PolarHBondContact N-O 3.38Å; I275-C468 PolarHBondContact O-N 3.16Å
276P97.9Very high89.2Confident0 Ų045.8 Ų45.80%023%0.233CC..EExtended strand (participates in β ladder)trans-69.2129172.4-16.330.3000111.2P12 Y14 L198 F201 L467P12-P276 WeakPolarHBondContact O-CD 3.35Å; Y14-P276 HydrophobicContact CD2-CG 4.11Å; Y14-P276 HydrophobicContact CE2-CG 3.77Å; L198-P276 HydrophobicContact CD1-CG 4.18Å; F201-P276 HydrophobicContact CD1-CB 4.01Å; F201-P276 HydrophobicContact CD1-CG 4.17Å; F201-P276 HydrophobicContact CD2-CB 4.49Å; F201-P276 HydrophobicContact CD2-CG 4.33Å; F201-P276 HydrophobicContact CE1-CB 3.46Å; F201-P276 VanDerWaalsContact CE1-CB 3.46Å; F201-P276 HydrophobicContact CE1-CG 4.11Å; F201-P276 HydrophobicContact CE2-CB 4.01Å; F201-P276 HydrophobicContact CE2-CG 4.26Å; F201-P276 HydrophobicContact CG-CB 4.5Å; F201-P276 HydrophobicContact CG-CG 4.28Å; F201-P276 HydrophobicContact CZ-CB 3.45Å; F201-P276 VanDerWaalsContact CZ-CB 3.45Å; F201-P276 HydrophobicContact CZ-CG 4.15Å; P276-L467 HydrophobicContact CB-CD2 3.91Å; P276-L467 HydrophobicContact CG-CD2 4.13Å
277L97.8Very high91Very high0 Ų039.4 Ų39.40%020%0.2CC..EExtended strand (participates in β ladder)trans-113.3141176.1-54.8175.5000109L11 I275 E288 F291 L448 S465 Q466 C468L11-L277 HydrophobicContact CD1-CD2 3.71Å; L11-L277 HydrophobicContact CD2-CD2 4.33Å; I275-L277 HydrophobicContact CG2-CD2 3.91Å; I275-L277 PolarHBondContact O-N 3.33Å; L277-E288 HydrophobicContact CB-CB 4.2Å; L277-F291 HydrophobicContact CD1-CB 4.35Å; L277-F291 HydrophobicContact CD1-CD1 3.56Å; L277-F291 HydrophobicContact CD1-CE1 3.99Å; L277-F291 HydrophobicContact CD1-CG 3.95Å; L277-F291 HydrophobicContact CD2-CB 3.9Å; L277-F291 HydrophobicContact CD2-CD1 4.22Å; L277-F291 HydrophobicContact CD2-CD2 3.91Å; L277-F291 HydrophobicContact CD2-CE2 4.5Å; L277-F291 HydrophobicContact CD2-CG 3.74Å; L277-L448 HydrophobicContact CD1-CD2 4.39Å; L277-S465 VanDerWaalsContact O-CA 3.23Å; L277-S465 WeakPolarHBondContact O-CA 3.38Å; L277-S465 WeakPolarHBondContact O-CB 3.38Å; L277-S465 PolarHBondContact O-OG 3.27Å; L277-Q466 HydrophobicContact CB-CG 3.85Å; L277-Q466 HydrophobicContact CD1-CG 4.06Å; L277-Q466 HydrophobicContact CG-CG 4.44Å; L277-Q466 PolarHBondContact N-O 3.32Å; L277-Q466 PolarHBondContact O-N 2.85Å; L277-Q466 VanDerWaalsContact O-N 3.11Å; L277-C468 HydrophobicContact CD1-CB 4.2Å
278I97.8Very high92.8Very high1 Ų133.1 Ų33.11%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-127.1135.6175.1-55.8-179.1000108.4F201 L205 L246 F249 L250 I285 E288 L463 E464F201-I278 HydrophobicContact CZ-CD1 3.94Å; F201-I278 HydrophobicContact CZ-CG1 4.37Å; L205-I278 HydrophobicContact CD1-CD1 3.83Å; L205-I278 HydrophobicContact CD2-CD1 3.75Å; L205-I278 HydrophobicContact CG-CD1 4.44Å; L246-I278 HydrophobicContact CD1-CD1 3.89Å; L246-I278 HydrophobicContact CD2-CB 4.48Å; L246-I278 HydrophobicContact CD2-CD1 4.47Å; L246-I278 HydrophobicContact CD2-CG2 3.8Å; F249-I278 HydrophobicContact CE1-CD1 4.47Å; L250-I278 HydrophobicContact CD1-CD1 4.42Å; L250-I278 HydrophobicContact CD2-CD1 3.97Å; L250-I278 HydrophobicContact CG-CD1 4.47Å; I278-I285 HydrophobicContact CG2-CG2 4.21Å; I278-E288 PolarHBondContact O-N 3.27Å; I278-L463 HydrophobicContact CG2-CD1 4.25Å; I278-E464 WeakPolarHBondContact CA-O 3.3Å
279Q97.3Very high94.4Very high0 Ų027.2 Ų27.20%014%0.141CC..EExtended strand (participates in β ladder)trans-124130.1173.6-169.857.238.100108.7I285 E288 S458 L459 E464Q279-I285 PolarHBondContact NE2-O 3.44Å; Q279-I285 VanDerWaalsContact NE2-O 3.13Å; Q279-E288 HydrophobicContact CB-CB 3.94Å; Q279-E288 HydrophobicContact CB-CG 4.46Å; Q279-E288 HydrophobicContact CG-CB 4.49Å; Q279-S458 VanDerWaalsContact CG-O 3.22Å; Q279-S458 WeakPolarHBondContact CG-O 3.31Å; Q279-L459 PolarHBondContact NE2-O 3.46Å; Q279-E464 PolarHBondContact N-O 3.26Å; Q279-E464 PolarHBondContact O-N 2.85Å
280Y97Very high95.5Very high0 Ų025.9 Ų25.90%012%0.122CC..EExtended strand (participates in β ladder)trans-155.576.4166.6-169-157000110.1Y135 H137 F242 Y282 C283 N284 I285 R461 L463Y135-Y280 VanDerWaalsContact OH-CE1 3.31Å; Y135-Y280 WeakPolarHBondContact OH-CE1 3.47Å; Y135-Y280 VanDerWaalsContact OH-CZ 3.24Å; Y135-Y280 PolarHBondContact OH-OH 3.45Å; H137-Y280 PolarHBondContact CD2-OH 2.76Å; H137-Y280 PolarHBondContact NE2-OH 3.23Å; F242-Y280 AromaticContact CD1-CD1 3.84Å; F242-Y280 HydrophobicContact CD1-CD1 3.84Å; F242-Y280 HydrophobicContact CD1-CE1 4.13Å; F242-Y280 HydrophobicContact CD2-CE1 4.19Å; F242-Y280 AromaticContact CE1-CD1 3.56Å; F242-Y280 HydrophobicContact CE1-CD1 3.56Å; F242-Y280 HydrophobicContact CE1-CE1 4.04Å; F242-Y280 HydrophobicContact CE2-CD1 4.4Å; F242-Y280 HydrophobicContact CE2-CE1 4.08Å; F242-Y280 HydrophobicContact CG-CD1 4.4Å; F242-Y280 HydrophobicContact CG-CE1 4.23Å; F242-Y280 AromaticContact CZ-CD1 3.87Å; F242-Y280 HydrophobicContact CZ-CD1 3.87Å; F242-Y280 HydrophobicContact CZ-CE1 4.01Å; Y280-Y282 HydrophobicContact CE2-CD1 4.16Å; Y280-Y282 HydrophobicContact CE2-CG 4.33Å; Y280-Y282 AromaticContact CZ-CD1 3.78Å; Y280-Y282 PolarHBondContact O-N 3.04Å; Y280-Y282 VanDerWaalsContact O-N 3.15Å; Y280-Y282 VanDerWaalsContact OH-CD1 3.32Å; Y280-Y282 WeakPolarHBondContact OH-CD1 3.28Å; Y280-C283 HydrophobicContact CD1-CB 3.82Å; Y280-C283 HydrophobicContact CE1-CB 4.06Å; Y280-C283 WeakPolarHBondContact CE1-SG 3.46Å; Y280-C283 HydrophobicContact CG-CB 4.42Å; Y280-C283 CarbonylContact O-C 3.6Å; Y280-C283 PolarHBondContact O-N 3.43Å; Y280-N284 PolarHBondContact O-N 3.43Å; Y280-I285 CarbonylContact C-O 3.58Å; Y280-I285 VanDerWaalsContact C-O 3.32Å; Y280-I285 HydrophobicContact CD1-CD1 4.35Å; Y280-I285 PolarHBondContact N-O 3.36Å; Y280-I285 PolarHBondContact O-N 3.1Å; Y280-I285 VanDerWaalsContact O-N 3.13Å; Y280-R461 WeakPolarHBondContact CE2-O 3.3Å; Y280-L463 HydrophobicContact CD1-CB 4.24Å; Y280-L463 HydrophobicContact CD1-CD1 3.99Å; Y280-L463 HydrophobicContact CD2-CB 3.95Å; Y280-L463 HydrophobicContact CE1-CB 4.49Å; Y280-L463 HydrophobicContact CE2-CB 4.25Å; Y280-L463 HydrophobicContact CG-CB 3.98Å; Y280-L463 HydrophobicContact CG-CD1 3.95Å
281G96.1Very high96.1Very high12 Ų1222.8 Ų22.812%0.12411%0.108CC..G310 helixtrans-58.7-29.5-172.100000114.2C283 N284 L459 N460G281-C283 PolarHBondContact O-N 3.37Å; G281-N284 PolarHBondContact O-N 3.21Å; G281-L459 WeakPolarHBondContact CA-O 3.26Å; G281-L459 PolarHBondContact N-O 3Å; G281-N460 CarbonylContact C-O 3.57Å
282Y94.4Very high96.3Very high39 Ų3920.6 Ų20.615%0.15310%0.097CC..G310 helixtrans-58.2-31.5175.6175.3-100.9000113H137 P138 S235 F238 Q239 Y280 N460H137-Y282 AromaticContact CE1-CD1 3.85Å; H137-Y282 AromaticContact CE1-CD2 3.71Å; H137-Y282 AromaticContact CE1-CE1 3.91Å; H137-Y282 AromaticContact CE1-CE2 3.77Å; H137-Y282 AromaticContact CE1-CG 3.75Å; H137-Y282 AromaticContact CE1-CZ 3.86Å; H137-Y282 AromaticContact NE2-CD1 3.62Å; H137-Y282 AromaticContact NE2-CD2 3.88Å; H137-Y282 AromaticContact NE2-CG 3.49Å; P138-Y282 HydrophobicContact CG-CD1 4.49Å; P138-Y282 HydrophobicContact CG-CE1 3.41Å; P138-Y282 VanDerWaalsContact CG-CE1 3.41Å; P138-Y282 VanDerWaalsContact CG-OH 3.23Å; P138-Y282 WeakPolarHBondContact CG-OH 3.06Å; S235-Y282 PolarHBondContact OG-OH 3.45Å; F238-Y282 HydrophobicContact CD1-CE1 4.17Å; F238-Y282 HydrophobicContact CE1-CE1 4.31Å; Q239-Y282 VanDerWaalsContact CD-O 3.27Å; Q239-Y282 HydrophobicContact CG-CD1 4.06Å; Q239-Y282 HydrophobicContact CG-CE1 3.6Å; Q239-Y282 WeakPolarHBondContact CG-O 3.45Å; Q239-Y282 VanDerWaalsContact NE2-CE2 3.27Å; Q239-Y282 PolarHBondContact NE2-OH 3.23Å; Y280-Y282 HydrophobicContact CE2-CD1 4.16Å; Y280-Y282 HydrophobicContact CE2-CG 4.33Å; Y280-Y282 AromaticContact CZ-CD1 3.78Å; Y280-Y282 PolarHBondContact O-N 3.04Å; Y280-Y282 VanDerWaalsContact O-N 3.15Å; Y280-Y282 VanDerWaalsContact OH-CD1 3.32Å; Y280-Y282 WeakPolarHBondContact OH-CD1 3.28Å; Y282-N460 PolarHBondContact N-O 3.31Å
283C96.1Very high96.3Very high0 Ų023.2 Ų23.20%011%0.109CC..G310 helixtrans-106.625.9176.2-66.90000112F242 H243 Y280 G281 I285F242-C283 HydrophobicContact CB-CB 4.3Å; F242-C283 HydrophobicContact CD1-CB 4.2Å; F242-C283 HydrophobicContact CG-CB 4.47Å; H243-C283 WeakPolarHBondContact CB-O 3.32Å; H243-C283 PolarHBondContact ND1-O 3.14Å; Y280-C283 HydrophobicContact CD1-CB 3.82Å; Y280-C283 HydrophobicContact CE1-CB 4.06Å; Y280-C283 WeakPolarHBondContact CE1-SG 3.46Å; Y280-C283 HydrophobicContact CG-CB 4.42Å; Y280-C283 CarbonylContact O-C 3.6Å; Y280-C283 PolarHBondContact O-N 3.43Å; G281-C283 PolarHBondContact O-N 3.37Å; C283-I285 HydrophobicContact CB-CD1 3.89Å; C283-I285 PolarHBondContact O-N 3.35Å; C283-I285 VanDerWaalsContact O-N 3.16Å
284N96.6Very high96.2Very high109 Ų10922.9 Ų22.958%0.58311%0.11SC*.THydrogen-bonded Turntrans55.930.3179.9-59.4-45.1000114.4H243 Y280 G281H243-N284 PolarHBondContact CE1-O 2.95Å; H243-N284 VanDerWaalsContact CE1-O 3.27Å; H243-N284 PolarHBondContact ND1-O 3.24Å; Y280-N284 PolarHBondContact O-N 3.43Å; G281-N284 PolarHBondContact O-N 3.21Å
285I97.2Very high96Very high0 Ų023 Ų230%011%0.11CC..EExtended strand (participates in β ladder)trans-99.2109176.4-69151.5000107.9F242 L246 I278 Q279 Y280 C283 Y287F242-I285 HydrophobicContact CD1-CD1 3.6Å; F242-I285 HydrophobicContact CE1-CD1 3.82Å; L246-I285 HydrophobicContact CB-CD1 4.01Å; L246-I285 HydrophobicContact CD2-CB 4.19Å; L246-I285 HydrophobicContact CD2-CD1 3.31Å; L246-I285 HydrophobicContact CD2-CG1 3.77Å; L246-I285 HydrophobicContact CD2-CG2 3.45Å; L246-I285 VanDerWaalsContact CD2-CG2 3.45Å; L246-I285 HydrophobicContact CG-CD1 4.28Å; I278-I285 HydrophobicContact CG2-CG2 4.21Å; Q279-I285 PolarHBondContact NE2-O 3.44Å; Q279-I285 VanDerWaalsContact NE2-O 3.13Å; Y280-I285 CarbonylContact C-O 3.58Å; Y280-I285 VanDerWaalsContact C-O 3.32Å; Y280-I285 HydrophobicContact CD1-CD1 4.35Å; Y280-I285 PolarHBondContact N-O 3.36Å; Y280-I285 PolarHBondContact O-N 3.1Å; Y280-I285 VanDerWaalsContact O-N 3.13Å; C283-I285 HydrophobicContact CB-CD1 3.89Å; C283-I285 PolarHBondContact O-N 3.35Å; C283-I285 VanDerWaalsContact O-N 3.16Å; I285-Y287 HydrophobicContact CG2-CD2 3.76Å; I285-Y287 HydrophobicContact CG2-CE2 4.04Å
286E96.3Very high95.7Very high49 Ų4923.1 Ų23.123%0.22911%0.111CC..EExtended strand (participates in β ladder)trans-129.231.2-168.3-61.5-164.3140.700113.3K289 K290E286-K289 HydrophobicContact CB-CB 4.15Å; E286-K289 HydrophobicContact CB-CD 4.17Å; E286-K289 HydrophobicContact CG-CD 4.24Å; E286-K289 PolarHBondContact O-N 3.43Å; E286-K289 IonicContact OE1-NZ 2.84Å; E286-K289 PolarHBondContact OE1-NZ 3.01Å; E286-K289 IonicContact OE2-NZ 2.72Å; E286-K289 PolarHBondContact OE2-NZ 3.45Å; E286-K290 WeakPolarHBondContact O-CB 3.47Å; E286-K290 VanDerWaalsContact O-CG 3.31Å; E286-K290 WeakPolarHBondContact O-CG 3.48Å; E286-K290 PolarHBondContact O-N 3.44Å
287Y95.7Very high95.3Very high40 Ų4027.7 Ų27.716%0.15713%0.132CC..Hα-helixtrans-66.8-42.5-174.6-65.3-80.9000112.5L11 S247 L250 I285 F291L11-Y287 HydrophobicContact CD2-CD1 3.81Å; L11-Y287 HydrophobicContact CD2-CG 4.03Å; S247-Y287 PolarHBondContact OG-OH 2.96Å; L250-Y287 HydrophobicContact CD1-CD2 3.44Å; L250-Y287 VanDerWaalsContact CD1-CD2 3.44Å; L250-Y287 HydrophobicContact CD1-CE1 4.36Å; L250-Y287 HydrophobicContact CD1-CE2 3.2Å; L250-Y287 HydrophobicContact CD1-CG 4.14Å; I285-Y287 HydrophobicContact CG2-CD2 3.76Å; I285-Y287 HydrophobicContact CG2-CE2 4.04Å; Y287-F291 VanDerWaalsContact O-CB 3.24Å; Y287-F291 WeakPolarHBondContact O-CB 3.35Å; Y287-F291 PolarHBondContact O-N 2.91Å
288E95.4Very high94.7Very high1 Ų129.1 Ų29.11%0.00514%0.138CC..Hα-helixtrans-58-52.9171.3159.6171.5166.100111L277 I278 Q279 K290 F291 M292 S452 Q466L277-E288 HydrophobicContact CB-CB 4.2Å; I278-E288 PolarHBondContact O-N 3.27Å; Q279-E288 HydrophobicContact CB-CB 3.94Å; Q279-E288 HydrophobicContact CB-CG 4.46Å; Q279-E288 HydrophobicContact CG-CB 4.49Å; E288-K290 VanDerWaalsContact C-N 3.33Å; E288-K290 PolarHBondContact O-N 3.27Å; E288-F291 WeakPolarHBondContact O-CB 3.46Å; E288-F291 PolarHBondContact O-N 3.49Å; E288-F291 VanDerWaalsContact O-N 3.15Å; E288-M292 HydrophobicContact CG-CG 4.21Å; E288-M292 WeakPolarHBondContact O-CB 3.49Å; E288-M292 VanDerWaalsContact O-CG 3.27Å; E288-M292 WeakPolarHBondContact O-CG 3.32Å; E288-M292 PolarHBondContact O-N 2.88Å; E288-S452 WeakPolarHBondContact OE1-CB 3.45Å; E288-S452 PolarHBondContact OE1-OG 2.99Å; E288-Q466 PolarHBondContact OE1-NE2 3.13Å; E288-Q466 PolarHBondContact OE2-NE2 3.45Å
289K95.9Very high94.1Very high44 Ų4429.1 Ų29.119%0.19114%0.138CC..Hα-helixtrans-51.7-51.4-179.8178.9-177170-162.40111.9E286 M292 Q293 L339 L459E286-K289 HydrophobicContact CB-CB 4.15Å; E286-K289 HydrophobicContact CB-CD 4.17Å; E286-K289 HydrophobicContact CG-CD 4.24Å; E286-K289 PolarHBondContact O-N 3.43Å; E286-K289 IonicContact OE1-NZ 2.84Å; E286-K289 PolarHBondContact OE1-NZ 3.01Å; E286-K289 IonicContact OE2-NZ 2.72Å; E286-K289 PolarHBondContact OE2-NZ 3.45Å; K289-M292 PolarHBondContact O-N 3.48Å; K289-Q293 WeakPolarHBondContact O-CG 3.43Å; K289-Q293 PolarHBondContact O-N 2.89Å; K289-L339 HydrophobicContact CD-CD2 4.37Å; K289-L339 HydrophobicContact CG-CD2 3.71Å; K289-L459 HydrophobicContact CB-CD1 3.63Å; K289-L459 HydrophobicContact CD-CD1 3.89Å; K289-L459 HydrophobicContact CD-CD2 4.33Å; K289-L459 HydrophobicContact CD-CG 4.34Å; K289-L459 HydrophobicContact CG-CD1 3.78Å
290K96Very high93.5Very high98 Ų9830.6 Ų30.643%0.42615%0.147SC..Hα-helixtrans-65.7-40.7-179.1-68.8173.6-177.9178.70111.7L9 E286 E288 Q293 N294L9-K290 HydrophobicContact CD1-CB 4.14Å; L9-K290 HydrophobicContact CD2-CB 3.74Å; L9-K290 HydrophobicContact CD2-CD 4.19Å; E286-K290 WeakPolarHBondContact O-CB 3.47Å; E286-K290 VanDerWaalsContact O-CG 3.31Å; E286-K290 WeakPolarHBondContact O-CG 3.48Å; E286-K290 PolarHBondContact O-N 3.44Å; E288-K290 VanDerWaalsContact C-N 3.33Å; E288-K290 PolarHBondContact O-N 3.27Å; K290-Q293 PolarHBondContact O-N 2.74Å; K290-N294 PolarHBondContact O-N 2.85Å; K290-N294 VanDerWaalsContact O-N 3.12Å
291F95.6Very high92.7Very high0 Ų032.3 Ų32.30%016%0.159CC..Hα-helixtrans-60.4-45.9174.7-179.7-87.7000111.4I2 F5 L9 L11 I275 L277 Y287 E288 Q293 N294 L295 L448 C468I2-F291 HydrophobicContact CG2-CZ 4.38Å; F5-F291 HydrophobicContact CD2-CD2 4.11Å; F5-F291 HydrophobicContact CD2-CE2 4.16Å; F5-F291 AromaticContact CE2-CD2 3.68Å; F5-F291 HydrophobicContact CE2-CD2 3.68Å; F5-F291 AromaticContact CE2-CE2 3.43Å; F5-F291 HydrophobicContact CE2-CE2 3.43Å; F5-F291 VanDerWaalsContact CE2-CE2 3.43Å; F5-F291 HydrophobicContact CE2-CG 4.33Å; F5-F291 AromaticContact CE2-CZ 3.89Å; F5-F291 HydrophobicContact CE2-CZ 3.89Å; F5-F291 HydrophobicContact CZ-CE2 4.39Å; F5-F291 HydrophobicContact CZ-CZ 4.47Å; L9-F291 HydrophobicContact CD1-CB 4Å; L11-F291 HydrophobicContact CD1-CB 4.24Å; L11-F291 HydrophobicContact CD1-CD2 3.77Å; L11-F291 HydrophobicContact CD1-CG 4.41Å; I275-F291 HydrophobicContact CD1-CE2 4.02Å; I275-F291 HydrophobicContact CD1-CZ 4.28Å; I275-F291 HydrophobicContact CG2-CE2 4.3Å; L277-F291 HydrophobicContact CD1-CB 4.35Å; L277-F291 HydrophobicContact CD1-CD1 3.56Å; L277-F291 HydrophobicContact CD1-CE1 3.99Å; L277-F291 HydrophobicContact CD1-CG 3.95Å; L277-F291 HydrophobicContact CD2-CB 3.9Å; L277-F291 HydrophobicContact CD2-CD1 4.22Å; L277-F291 HydrophobicContact CD2-CD2 3.91Å; L277-F291 HydrophobicContact CD2-CE2 4.5Å; L277-F291 HydrophobicContact CD2-CG 3.74Å; Y287-F291 VanDerWaalsContact O-CB 3.24Å; Y287-F291 WeakPolarHBondContact O-CB 3.35Å; Y287-F291 PolarHBondContact O-N 2.91Å; E288-F291 WeakPolarHBondContact O-CB 3.46Å; E288-F291 PolarHBondContact O-N 3.49Å; E288-F291 VanDerWaalsContact O-N 3.15Å; F291-Q293 PolarHBondContact O-N 3.19Å; F291-N294 PolarHBondContact O-N 3.38Å; F291-L295 HydrophobicContact CE1-CB 4.48Å; F291-L295 HydrophobicContact CE1-CD2 4.16Å; F291-L295 WeakPolarHBondContact O-CB 3.16Å; F291-L295 PolarHBondContact O-N 3.35Å; F291-L448 HydrophobicContact CE1-CD2 4.5Å; F291-C468 HydrophobicContact CE1-CB 4Å; F291-C468 HydrophobicContact CZ-CB 3.91Å; F291-C468 VanDerWaalsContact CZ-SG 3.53Å
292M94.6Very high90.8Very high1 Ų133.4 Ų33.41%0.00517%0.167CC..Hα-helixtrans-64.2-40.4179.2-69.3-52.2-66.500112.6E288 K289 L295 F296 Y340 L420 L448 F454E288-M292 HydrophobicContact CG-CG 4.21Å; E288-M292 WeakPolarHBondContact O-CB 3.49Å; E288-M292 VanDerWaalsContact O-CG 3.27Å; E288-M292 WeakPolarHBondContact O-CG 3.32Å; E288-M292 PolarHBondContact O-N 2.88Å; K289-M292 PolarHBondContact O-N 3.48Å; M292-L295 HydrophobicContact CE-CD2 4.37Å; M292-L295 PolarHBondContact O-N 2.82Å; M292-L295 HydrophobicContact SD-CD2 4.25Å; M292-F296 HydrophobicContact CE-CD2 4.08Å; M292-F296 HydrophobicContact CE-CE2 3.56Å; M292-F296 WeakPolarHBondContact O-CD2 3.29Å; M292-F296 PolarHBondContact O-N 2.81Å; M292-Y340 HydrophobicContact CB-CE1 3.94Å; M292-Y340 HydrophobicContact CG-CE1 4.28Å; M292-L420 HydrophobicContact CE-CD1 4.26Å; M292-L448 HydrophobicContact CE-CD1 3.68Å; M292-L448 HydrophobicContact SD-CD1 3.36Å; M292-L448 WeakPolarHBondContact SD-CD1 3.32Å; M292-F454 HydrophobicContact CE-CE1 4.03Å
293Q94.6Very high88.7Confident55 Ų5533.4 Ų33.426%0.25717%0.173SC..Hα-helixtrans-59.2-48173.9-72.1175.7-76.300111.4K289 K290 F291 L295 F296 Q297 L339 L343K289-Q293 WeakPolarHBondContact O-CG 3.43Å; K289-Q293 PolarHBondContact O-N 2.89Å; K290-Q293 PolarHBondContact O-N 2.74Å; F291-Q293 PolarHBondContact O-N 3.19Å; Q293-L295 VanDerWaalsContact C-N 3.34Å; Q293-L295 PolarHBondContact O-N 2.87Å; Q293-F296 PolarHBondContact O-N 3.4Å; Q293-Q297 WeakPolarHBondContact O-CB 3.46Å; Q293-Q297 VanDerWaalsContact O-CG 3.22Å; Q293-Q297 WeakPolarHBondContact O-CG 3.46Å; Q293-Q297 PolarHBondContact O-N 3.4Å; Q293-L339 HydrophobicContact CG-CD1 3.99Å; Q293-L339 HydrophobicContact CG-CD2 4.14Å; Q293-L339 HydrophobicContact CG-CG 4.45Å; Q293-L343 HydrophobicContact CG-CD1 4.31Å
294N93.3Very high86.1Confident32 Ų3238.6 Ų38.617%0.17121%0.209CC..Hα-helixtrans-65.2-38.2178.6-67.8-10.5000112F5 K290 F291 Q297 Y298F5-N294 HydrophobicContact CB-CB 4Å; F5-N294 HydrophobicContact CD1-CB 4.13Å; F5-N294 HydrophobicContact CD2-CB 3.77Å; F5-N294 HydrophobicContact CE1-CB 4.48Å; F5-N294 HydrophobicContact CE2-CB 4.19Å; F5-N294 HydrophobicContact CG-CB 3.74Å; K290-N294 PolarHBondContact O-N 2.85Å; K290-N294 VanDerWaalsContact O-N 3.12Å; F291-N294 PolarHBondContact O-N 3.38Å; N294-Q297 PolarHBondContact O-N 2.96Å; N294-Y298 WeakPolarHBondContact O-CB 3.44Å; N294-Y298 PolarHBondContact O-N 3.26Å
295L92.6Very high83.3Confident1 Ų138.4 Ų38.41%0.00522%0.216CC..Hα-helixtrans-63.8-48.6176.6177.861.7000111.6I2 F5 F291 M292 Q293 Q297 Y298 V299 L420 I422 L446I2-L295 HydrophobicContact CG1-CD1 4.49Å; F5-L295 HydrophobicContact CZ-CB 4.14Å; F5-L295 HydrophobicContact CZ-CD1 4.27Å; F291-L295 HydrophobicContact CE1-CB 4.48Å; F291-L295 HydrophobicContact CE1-CD2 4.16Å; F291-L295 WeakPolarHBondContact O-CB 3.16Å; F291-L295 PolarHBondContact O-N 3.35Å; M292-L295 HydrophobicContact CE-CD2 4.37Å; M292-L295 PolarHBondContact O-N 2.82Å; M292-L295 HydrophobicContact SD-CD2 4.25Å; Q293-L295 VanDerWaalsContact C-N 3.34Å; Q293-L295 PolarHBondContact O-N 2.87Å; L295-Q297 VanDerWaalsContact C-N 3.34Å; L295-Q297 PolarHBondContact O-N 3.31Å; L295-Y298 HydrophobicContact CD1-CD1 4.45Å; L295-Y298 WeakPolarHBondContact O-CB 3.32Å; L295-Y298 PolarHBondContact O-N 3.1Å; L295-V299 WeakPolarHBondContact O-CG2 3.29Å; L295-V299 PolarHBondContact O-N 2.93Å; L295-L420 HydrophobicContact CD2-CD2 4.17Å; L295-I422 HydrophobicContact CD1-CD1 3.92Å; L295-I422 HydrophobicContact CD2-CD1 3.97Å; L295-I422 HydrophobicContact CG-CD1 4Å; L295-L446 HydrophobicContact CD1-CD1 3.7Å; L295-L446 HydrophobicContact CD2-CD1 4.1Å; L295-L446 HydrophobicContact CD2-CD2 4.12Å
296F91.5Very high80.7Confident4 Ų440.7 Ų40.72%0.01823%0.232CC..Hα-helixtrans-65.6-38.4177.6-89-107.9000111.7M292 Q293 Y298 V299 T300 L327 L343 F344 M347 L420M292-F296 HydrophobicContact CE-CD2 4.08Å; M292-F296 HydrophobicContact CE-CE2 3.56Å; M292-F296 WeakPolarHBondContact O-CD2 3.29Å; M292-F296 PolarHBondContact O-N 2.81Å; Q293-F296 PolarHBondContact O-N 3.4Å; F296-Y298 VanDerWaalsContact C-N 3.34Å; F296-Y298 PolarHBondContact O-N 3.32Å; F296-V299 PolarHBondContact O-N 2.91Å; F296-T300 VanDerWaalsContact O-CB 3.23Å; F296-T300 WeakPolarHBondContact O-CB 3.5Å; F296-T300 PolarHBondContact O-N 3.04Å; F296-T300 PolarHBondContact O-OG1 3.48Å; F296-L327 HydrophobicContact CE1-CD1 4.15Å; F296-L327 HydrophobicContact CZ-CD1 4Å; F296-L343 HydrophobicContact CB-CB 4.12Å; F296-L343 HydrophobicContact CB-CD1 4.11Å; F296-L343 HydrophobicContact CB-CD2 3.93Å; F296-L343 HydrophobicContact CB-CG 4.27Å; F296-L343 HydrophobicContact CD1-CB 3.61Å; F296-L343 HydrophobicContact CD2-CD1 4.39Å; F296-L343 HydrophobicContact CE1-CB 4.19Å; F296-L343 HydrophobicContact CG-CB 3.96Å; F296-L343 HydrophobicContact CG-CD1 4.09Å; F296-L343 HydrophobicContact CG-CG 4.45Å; F296-F344 HydrophobicContact CE1-CD1 4.35Å; F296-F344 HydrophobicContact CE1-CD2 4.3Å; F296-F344 HydrophobicContact CE1-CE1 4.18Å; F296-F344 HydrophobicContact CE1-CE2 4.11Å; F296-F344 HydrophobicContact CE1-CG 4.39Å; F296-F344 HydrophobicContact CE1-CZ 4.04Å; F296-F344 HydrophobicContact CZ-CE1 4.45Å; F296-F344 HydrophobicContact CZ-CE2 4.07Å; F296-F344 AromaticContact CZ-CZ 3.93Å; F296-F344 HydrophobicContact CZ-CZ 3.93Å; F296-M347 HydrophobicContact CD1-SD 4.28Å; F296-M347 HydrophobicContact CE1-CE 4.08Å; F296-M347 HydrophobicContact CE1-SD 4.26Å; F296-L420 HydrophobicContact CE2-CD1 4Å; F296-L420 HydrophobicContact CZ-CD1 4.06Å
297Q88.9Confident78.1Confident95 Ų9543.8 Ų43.844%0.44426%0.256SS..Hα-helixtrans-59.9-44.1172.7-76.9174.3-6.500111.6Q293 N294 L295 V299 T300 S301Q293-Q297 WeakPolarHBondContact O-CB 3.46Å; Q293-Q297 VanDerWaalsContact O-CG 3.22Å; Q293-Q297 WeakPolarHBondContact O-CG 3.46Å; Q293-Q297 PolarHBondContact O-N 3.4Å; N294-Q297 PolarHBondContact O-N 2.96Å; L295-Q297 VanDerWaalsContact C-N 3.34Å; L295-Q297 PolarHBondContact O-N 3.31Å; Q297-V299 PolarHBondContact O-N 3.03Å; Q297-T300 PolarHBondContact O-N 3.27Å; Q297-S301 VanDerWaalsContact O-CB 3.27Å; Q297-S301 WeakPolarHBondContact O-CB 3.28Å; Q297-S301 PolarHBondContact O-N 2.94Å; Q297-S301 PolarHBondContact O-OG 3.01Å; Q297-S301 VanDerWaalsContact O-OG 3.09Å
298Y85.1Confident75.5Confident30 Ų3047.7 Ų47.712%0.11828%0.279CS..Hα-helixtrans-59.2-45.6176.2164.4-114.1000112.9M1 I2 N294 L295 F296 T300 S301 R352 Y444M1-Y298 HydrophobicContact CB-CD2 3.84Å; M1-Y298 HydrophobicContact CB-CE2 3.65Å; M1-Y298 HydrophobicContact CE-CD2 3.91Å; M1-Y298 HydrophobicContact CE-CE2 3.89Å; M1-Y298 HydrophobicContact CG-CD2 3.96Å; M1-Y298 HydrophobicContact CG-CE2 4.24Å; M1-Y298 HydrophobicContact SD-CD2 3.25Å; M1-Y298 WeakPolarHBondContact SD-CD2 3.37Å; M1-Y298 HydrophobicContact SD-CE2 3.79Å; M1-Y298 HydrophobicContact SD-CG 4.24Å; I2-Y298 HydrophobicContact CD1-CE1 4.32Å; I2-Y298 HydrophobicContact CG1-CD1 4.32Å; I2-Y298 HydrophobicContact CG1-CE1 4.29Å; N294-Y298 WeakPolarHBondContact O-CB 3.44Å; N294-Y298 PolarHBondContact O-N 3.26Å; L295-Y298 HydrophobicContact CD1-CD1 4.45Å; L295-Y298 WeakPolarHBondContact O-CB 3.32Å; L295-Y298 PolarHBondContact O-N 3.1Å; F296-Y298 VanDerWaalsContact C-N 3.34Å; F296-Y298 PolarHBondContact O-N 3.32Å; Y298-T300 VanDerWaalsContact C-N 3.28Å; Y298-T300 PolarHBondContact O-N 3.34Å; Y298-S301 PolarHBondContact O-OG 3.23Å; Y298-R352 PolarHBondContact O-NH1 3.37Å; Y298-Y444 WeakPolarHBondContact CE1-OH 3.31Å; Y298-Y444 PolarHBondContact OH-OH 3.05Å
299V85.7Confident72.9Confident2 Ų252.6 Ų52.61%0.01231%0.305CS..Hα-helixtrans-64.6-37.6178175.20000110.7L295 F296 Q297 F325 M347 R352 I354 I422L295-V299 WeakPolarHBondContact O-CG2 3.29Å; L295-V299 PolarHBondContact O-N 2.93Å; F296-V299 PolarHBondContact O-N 2.91Å; Q297-V299 PolarHBondContact O-N 3.03Å; V299-F325 HydrophobicContact CG1-CB 4.28Å; V299-F325 HydrophobicContact CG1-CD2 3.96Å; V299-F325 HydrophobicContact CG1-CG 4.15Å; V299-M347 HydrophobicContact CG1-SD 4.13Å; V299-R352 WeakPolarHBondContact O-CD 3.24Å; V299-R352 PolarHBondContact O-NH1 3.28Å; V299-I354 HydrophobicContact CG1-CD1 3.95Å; V299-I422 HydrophobicContact CG2-CD1 3.81Å
300T85.5Confident70Confident30 Ų3055.5 Ų55.518%0.18433%0.331CS..Hα-helixtrans-80.1-36.3-176.5-560000113.5F296 Q297 Y298 A302 N346F296-T300 VanDerWaalsContact O-CB 3.23Å; F296-T300 WeakPolarHBondContact O-CB 3.5Å; F296-T300 PolarHBondContact O-N 3.04Å; F296-T300 PolarHBondContact O-OG1 3.48Å; Q297-T300 PolarHBondContact O-N 3.27Å; Y298-T300 VanDerWaalsContact C-N 3.28Å; Y298-T300 PolarHBondContact O-N 3.34Å; T300-A302 PolarHBondContact O-N 2.92Å; T300-N346 HydrophobicContact CG2-CB 4.41Å
301S79.2Confident67.1Low37 Ų3756.1 Ų56.126%0.25934%0.343SS..  trans-74.1110.3-171.661.80000111.3Q297 Y298 R352Q297-S301 VanDerWaalsContact O-CB 3.27Å; Q297-S301 WeakPolarHBondContact O-CB 3.28Å; Q297-S301 PolarHBondContact O-N 2.94Å; Q297-S301 PolarHBondContact O-OG 3.01Å; Q297-S301 VanDerWaalsContact O-OG 3.09Å; Y298-S301 PolarHBondContact O-OG 3.23Å; S301-R352 PolarHBondContact O-NH1 2.94Å; S301-R352 VanDerWaalsContact O-NH1 3.13Å; S301-R352 PolarHBondContact O-NH2 3.13Å
302A57.3Low64.3Low34 Ų3461.8 Ų61.828%0.28138%0.382SS..  trans-61.5141.3156.800000108.5T300 S304T300-A302 PolarHBondContact O-N 2.92Å; A302-S304 PolarHBondContact O-N 3.26Å
303S50Low61.5Low40 Ų4066.1 Ų66.128%0.2841%0.413SS..THydrogen-bonded Turntrans-65.430.2-163-48.10000117.2I320S303-I320 WeakPolarHBondContact OG-CB 3.09Å
304S41.8Very low58.7Low109 Ų10969 Ų6976%0.76244%0.439SS*.THydrogen-bonded Turntrans-114.7-14.2-170.6-38.70000115.4A302A302-S304 PolarHBondContact O-N 3.26Å
305S37.6Very low56.1Low105 Ų10572.4 Ų72.473%0.73447%0.466SS*.  trans-165.367.1-174.747.80000114.5
306S42.7Very low53.4Low48 Ų4877.8 Ų77.834%0.33649%0.493SS..  trans-95.9120161.3-176.80000109.9L308 L309S306-L308 PolarHBondContact O-N 3.02Å; S306-L308 VanDerWaalsContact O-N 3.15Å; S306-L309 PolarHBondContact O-N 3.15Å
307P40.9Very low50.9Low114 Ų11482.1 Ų82.174%0.7452%0.524SS*.G310 helixtrans-61.2-21.6178.9-21.431.6000114.1L309 S310P307-L309 PolarHBondContact O-N 2.82Å; P307-S310 PolarHBondContact O-N 2.94Å; P307-S310 PolarHBondContact O-OG 3.33Å; P307-S310 VanDerWaalsContact O-OG 3.07Å
308L41.4Very low48.1Very low122 Ų12281 Ų8164%0.63954%0.539SS*.G310 helixtrans-68.5-7.9177.8-81159.9000113.7S306S306-L308 PolarHBondContact O-N 3.02Å; S306-L308 VanDerWaalsContact O-N 3.15Å
309L39.9Very low45.7Very low103 Ų10386.5 Ų86.554%0.53957%0.569SS.*G310 helixtrans-111.315.3-179.6-82.4153.8000113.6S306 P307 T311S306-L309 PolarHBondContact O-N 3.15Å; P307-L309 PolarHBondContact O-N 2.82Å; L309-T311 PolarHBondContact O-N 3.45Å; L309-T311 VanDerWaalsContact O-N 3.14Å
310S35.6Very low43.8Very low105 Ų10588.8 Ų88.873%0.73458%0.581SS**  trans-71-0.4176.455.20000114.6P307 S312P307-S310 PolarHBondContact O-N 2.94Å; P307-S310 PolarHBondContact O-OG 3.33Å; P307-S310 VanDerWaalsContact O-OG 3.07Å; S310-S312 PolarHBondContact O-N 3.35Å
311T35.1Very low42Very low111 Ų11191.1 Ų91.168%0.68160%0.596SS**SBendtrans-95.591174.260.70000111.5L309 S313L309-T311 PolarHBondContact O-N 3.45Å; L309-T311 VanDerWaalsContact O-N 3.14Å; T311-S313 PolarHBondContact O-N 2.92Å
312S37.2Very low40.8Very low119 Ų11995.5 Ų95.583%0.83262%0.617SS**SBendtrans52.663.1144-44.20000117.8S310S310-S312 PolarHBondContact O-N 3.35Å
313S34.8Very low41.3Very low92 Ų9295.6 Ų95.664%0.64361%0.611SS**  trans-157.587149.6-10.60000110.2T311 S315T311-S313 PolarHBondContact O-N 2.92Å; S313-S315 PolarHBondContact O-N 2.9Å; S313-S315 VanDerWaalsContact O-N 3.15Å
314S37Very low42.8Very low116 Ų11694.3 Ų94.381%0.81160%0.602SS**THydrogen-bonded Turntrans-57.2111.4161.248.70000108.6
315S37.7Very low45Very low104 Ų10489.2 Ų89.273%0.72757%0.566SS**THydrogen-bonded Turntrans152.2-1.9156.8-75.50000115.1S313S313-S315 PolarHBondContact O-N 2.9Å; S313-S315 VanDerWaalsContact O-N 3.15Å
316I37.1Very low47.6Very low113 Ų11387.7 Ų87.758%0.57955%0.547SS*.SBendtrans-90.6-10.7-179.9-60.1173.3000113.2G318I316-G318 PolarHBondContact O-N 3.35Å
317S38.3Very low50.1Low95 Ų9585.5 Ų85.566%0.66453%0.531SS*.THydrogen-bonded Turntrans-66.2-19.3-176.549.20000114.9
318G30.7Very low52.7Low73 Ų7380.7 Ų80.775%0.75350%0.499SS*.THydrogen-bonded Turntrans-91.9-0.3-176.400000116.6I316I316-G318 PolarHBondContact O-N 3.35Å
319L35Very low55.4Low145 Ų14575 Ų7576%0.75947%0.469SS*.  trans-1154.3-166-91161000116P321L319-P321 WeakPolarHBondContact O-CD 3.01Å
320I45.4Very low58.1Low50 Ų5070.1 Ų70.126%0.25644%0.443SS..  trans-100.2106.5172.8-53.4174.5000106.1M1 S303M1-I320 HydrophobicContact CE-CD1 3.65Å; S303-I320 WeakPolarHBondContact OG-CB 3.09Å
321P47.2Very low61Low79 Ų7965.1 Ų65.151%0.51341%0.408SS..  trans-52.6162.9173.3-20.231.3000110.2L319 E323L319-P321 WeakPolarHBondContact O-CD 3.01Å; P321-E323 HydrophobicContact CB-CG 4.18Å; P321-E323 HydrophobicContact CG-CG 4.47Å; P321-E323 PolarHBondContact O-N 2.84Å
322N55Low63.6Low129 Ų12960 Ų6069%0.6938%0.377SS*.  trans-64.868.1163.4-82.1-21.4000109.4S324N322-S324 PolarHBondContact O-N 3.4Å
323E67.6Low66.2Low35 Ų3555.4 Ų55.416%0.16434%0.342CS..  trans-66.4122.2176.6-67.8-174170.600108P321 F325P321-E323 HydrophobicContact CB-CG 4.18Å; P321-E323 HydrophobicContact CG-CG 4.47Å; P321-E323 PolarHBondContact O-N 2.84Å; E323-F325 HydrophobicContact CB-CE1 4.34Å; E323-F325 HydrophobicContact CB-CE2 4.09Å; E323-F325 HydrophobicContact CB-CZ 3.77Å; E323-F325 WeakPolarHBondContact O-CE2 3.45Å
324S81.4Confident68.9Low13 Ų1351.3 Ų51.39%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-80.3151166.945.60000108.9N322 N353 V425N322-S324 PolarHBondContact O-N 3.4Å; S324-N353 WeakPolarHBondContact CA-O 3.22Å; S324-N353 VanDerWaalsContact CB-O 3.23Å; S324-N353 WeakPolarHBondContact CB-O 3.32Å; S324-V425 PolarHBondContact N-O 3.42Å; S324-V425 PolarHBondContact O-N 3.35Å; S324-V425 VanDerWaalsContact OG-CB 3.23Å; S324-V425 WeakPolarHBondContact OG-CB 3.34Å; S324-V425 WeakPolarHBondContact OG-CG1 3.5Å; S324-V425 PolarHBondContact OG-O 2.6Å
325F87.8Confident71.6Confident2 Ų245.9 Ų45.91%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-126.5141.4-178.1-66.6-73.4000110.8V299 E323 N353 I354 N355 I422 E423 Y444V299-F325 HydrophobicContact CG1-CB 4.28Å; V299-F325 HydrophobicContact CG1-CD2 3.96Å; V299-F325 HydrophobicContact CG1-CG 4.15Å; E323-F325 HydrophobicContact CB-CE1 4.34Å; E323-F325 HydrophobicContact CB-CE2 4.09Å; E323-F325 HydrophobicContact CB-CZ 3.77Å; E323-F325 WeakPolarHBondContact O-CE2 3.45Å; F325-N353 PolarHBondContact N-O 3.39Å; F325-N353 VanDerWaalsContact N-O 3.17Å; F325-I354 HydrophobicContact CB-CG1 4.45Å; F325-I354 HydrophobicContact CB-CG2 4.36Å; F325-I354 CarbonylContact O-C 3.55Å; F325-I354 WeakPolarHBondContact O-CA 3.44Å; F325-N355 PolarHBondContact O-N 3.13Å; F325-I422 HydrophobicContact CD1-CG2 3.86Å; F325-E423 WeakPolarHBondContact CA-O 3.4Å; F325-Y444 HydrophobicContact CE1-CE1 4.48Å; F325-Y444 WeakPolarHBondContact CE1-OH 3.48Å
326K91.9Very high74.3Confident73 Ų7341.1 Ų41.132%0.31724%0.241SC..EExtended strand (participates in β ladder)trans-105.1121161.9-61.7176.8-179.5174.40108.3F328 N355 I422 E423 V425K326-F328 HydrophobicContact CB-CD2 4.38Å; K326-F328 HydrophobicContact CB-CE2 3.58Å; K326-F328 HydrophobicContact CB-CZ 4.23Å; K326-F328 HydrophobicContact CD-CE2 4.49Å; K326-N355 CarbonylContact C-O 3.59Å; K326-N355 WeakPolarHBondContact CA-O 3.08Å; K326-N355 HydrophobicContact CG-CB 4.32Å; K326-I422 WeakPolarHBondContact O-CA 3.32Å; K326-E423 HydrophobicContact CB-CB 4.35Å; K326-E423 PolarHBondContact N-O 3.49Å; K326-E423 PolarHBondContact O-N 2.93Å; K326-V425 HydrophobicContact CD-CG2 4.1Å; K326-V425 HydrophobicContact CG-CG2 3.86Å
327L94.7Very high77Confident2 Ų235.9 Ų35.91%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-108128.2174.5-174.5151.8000109.1F296 L329 F344 M347 N355 V356 N357 L420 W421 I422F296-L327 HydrophobicContact CE1-CD1 4.15Å; F296-L327 HydrophobicContact CZ-CD1 4Å; L327-L329 HydrophobicContact CD2-CB 4.3Å; L327-F344 HydrophobicContact CD2-CE1 3.78Å; L327-F344 HydrophobicContact CD2-CZ 4.07Å; L327-M347 HydrophobicContact CD1-CE 3.99Å; L327-M347 HydrophobicContact CD1-SD 3.73Å; L327-N355 PolarHBondContact N-O 3.32Å; L327-V356 HydrophobicContact CD2-CG1 4.37Å; L327-V356 CarbonylContact O-C 3.59Å; L327-V356 WeakPolarHBondContact O-CA 3.47Å; L327-N357 PolarHBondContact O-N 3.39Å; L327-N357 PolarHBondContact O-ND2 2.86Å; L327-L420 HydrophobicContact CD1-CD1 4.08Å; L327-L420 HydrophobicContact CD2-CD1 4.19Å; L327-L420 HydrophobicContact CG-CD1 4.19Å; L327-W421 WeakPolarHBondContact CA-O 3.5Å; L327-I422 HydrophobicContact CD1-CG1 4.3Å; L327-I422 HydrophobicContact CG-CG1 4.4Å
328F96.7Very high79.6Confident13 Ų1335.6 Ų35.66%0.05720%0.201CC..EExtended strand (participates in β ladder)trans-117.7133.4173.1-59.9-100.2000108.7K326 N357 L420 W421 R484 F488K326-F328 HydrophobicContact CB-CD2 4.38Å; K326-F328 HydrophobicContact CB-CE2 3.58Å; K326-F328 HydrophobicContact CB-CZ 4.23Å; K326-F328 HydrophobicContact CD-CE2 4.49Å; F328-N357 CarbonylContact C-O 3.56Å; F328-N357 WeakPolarHBondContact CA-O 3.34Å; F328-N357 HydrophobicContact CD1-CB 3.33Å; F328-N357 HydrophobicContact CE1-CB 3.62Å; F328-N357 VanDerWaalsContact CE1-CG 3.45Å; F328-N357 WeakPolarHBondContact CE1-ND2 3.45Å; F328-N357 HydrophobicContact CG-CB 4.05Å; F328-L420 CarbonylContact O-C 3.5Å; F328-L420 VanDerWaalsContact O-CA 3.24Å; F328-L420 WeakPolarHBondContact O-CA 3.39Å; F328-W421 HydrophobicContact CB-CB 4.2Å; F328-W421 HydrophobicContact CB-CE3 3.85Å; F328-W421 HydrophobicContact CD2-CB 4.46Å; F328-W421 PolarHBondContact N-O 3.28Å; F328-W421 PolarHBondContact O-N 2.8Å; F328-R484 HydrophobicContact CB-CG 4.46Å; F328-R484 HydrophobicContact CD1-CG 4.14Å; F328-R484 HydrophobicContact CD2-CG 4.38Å; F328-R484 VanDerWaalsContact CE2-CD 3.41Å; F328-R484 VanDerWaalsContact CG-CD 3.5Å; F328-R484 HydrophobicContact CG-CG 4.09Å; F328-F488 HydrophobicContact CB-CE2 4.04Å; F328-F488 HydrophobicContact CB-CZ 3.88Å; F328-F488 HydrophobicContact CD1-CD1 4.12Å; F328-F488 HydrophobicContact CD1-CD2 4.37Å; F328-F488 AromaticContact CD1-CE1 3.87Å; F328-F488 HydrophobicContact CD1-CE1 3.87Å; F328-F488 HydrophobicContact CD1-CE2 4.15Å; F328-F488 HydrophobicContact CD1-CG 4.36Å; F328-F488 AromaticContact CD1-CZ 3.89Å; F328-F488 HydrophobicContact CD1-CZ 3.89Å; F328-F488 HydrophobicContact CG-CZ 4.4Å
329L97.2Very high82.6Confident3 Ų334 Ų342%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-128.8124.5174.7178.769.9000108.7L327 F334 L336 F344 N357 L358 L359 L420 F454L327-L329 HydrophobicContact CD2-CB 4.3Å; L329-F334 HydrophobicContact CD2-CE2 4.33Å; L329-L336 HydrophobicContact CD2-CD1 4.33Å; L329-L336 HydrophobicContact CD2-CD2 4.1Å; L329-F344 HydrophobicContact CB-CZ 4.44Å; L329-F344 HydrophobicContact CD2-CE2 3.91Å; L329-F344 HydrophobicContact CD2-CZ 3.69Å; L329-N357 PolarHBondContact N-O 3.27Å; L329-L358 HydrophobicContact CB-CD2 3.78Å; L329-L358 HydrophobicContact CD2-CD2 4.14Å; L329-L358 HydrophobicContact CG-CD2 4.49Å; L329-L358 CarbonylContact O-C 3.26Å; L329-L358 WeakPolarHBondContact O-CA 3.3Å; L329-L359 PolarHBondContact O-N 2.82Å; L329-L420 HydrophobicContact CD1-CB 4.36Å; L329-L420 HydrophobicContact CD1-CD1 4.25Å; L329-F454 HydrophobicContact CD1-CD2 3.55Å; L329-F454 HydrophobicContact CD1-CE2 3.37Å; L329-F454 HydrophobicContact CD1-CG 4.35Å; L329-F454 HydrophobicContact CD1-CZ 4.04Å
330A96.9Very high85.4Confident0 Ų027.3 Ų27.30%014%0.14CC..EExtended strand (participates in β ladder)trans-109.9140.4170.400000110.1L359 F415 K418 G419 W421A330-L359 WeakPolarHBondContact CA-O 3.39Å; A330-L359 HydrophobicContact CB-CB 4.31Å; A330-L359 HydrophobicContact CB-CD2 4.44Å; A330-F415 HydrophobicContact CB-CZ 4.24Å; A330-K418 VanDerWaalsContact O-CA 3.24Å; A330-K418 WeakPolarHBondContact O-CA 3.47Å; A330-G419 PolarHBondContact N-O 2.91Å; A330-G419 PolarHBondContact O-N 3.31Å; A330-G419 VanDerWaalsContact O-N 3.08Å; A330-W421 HydrophobicContact CB-CH2 4.07Å; A330-W421 HydrophobicContact CB-CZ3 3.84Å
331S95.6Very high87.7Confident0 Ų025.5 Ų25.50%013%0.13CC..EExtended strand (participates in β ladder)trans-153.8123.3168.7-176.70000111.3Y333 L359 N453S331-Y333 PolarHBondContact O-N 2.83Å; S331-Y333 PolarHBondContact OG-N 2.79Å; S331-Y333 PolarHBondContact OG-O 3.32Å; S331-L359 PolarHBondContact N-O 2.88Å; S331-N453 PolarHBondContact OG-O 2.79Å; S331-N453 PolarHBondContact OG-OD1 3.13Å
332G91.5Very high89.8Confident3 Ų325 Ų253%0.03112%0.123CC..THydrogen-bonded Turntrans-69.9-19.8172.600000113.7A417G332-A417 PolarHBondContact N-O 2.79Å
333Y90.2Very high91.6Very high23 Ų2319.5 Ų19.59%0.099%0.094CC..THydrogen-bonded Turntrans-126.463.2179.8-61.7-54.2000110.2R185 S331 N335 F368 Y382 H416R185-Y333 PolarHBondContact NH2-OH 2.82Å; S331-Y333 PolarHBondContact O-N 2.83Å; S331-Y333 PolarHBondContact OG-N 2.79Å; S331-Y333 PolarHBondContact OG-O 3.32Å; Y333-N335 PolarHBondContact O-N 3.25Å; Y333-F368 HydrophobicContact CE1-CD2 4.16Å; Y333-F368 HydrophobicContact CE1-CE2 4.02Å; Y333-Y382 AromaticContact CD1-CD2 4Å; Y333-Y382 HydrophobicContact CD1-CD2 4Å; Y333-Y382 AromaticContact CD1-CE2 3.28Å; Y333-Y382 HydrophobicContact CD1-CE2 3.28Å; Y333-Y382 AromaticContact CD1-CZ 3.72Å; Y333-Y382 HydrophobicContact CE1-CE2 4.08Å; Y333-Y382 HydrophobicContact CG-CE2 4.04Å; Y333-H416 AromaticContact CE2-CD2 3.4Å; Y333-H416 WeakPolarHBondContact CE2-CD2 3.42Å; Y333-H416 AromaticContact CE2-NE2 3.45Å; Y333-H416 WeakPolarHBondContact CE2-NE2 3.37Å
334F92.6Very high92.7Very high7 Ų717.9 Ų17.93%0.0319%0.086CC..  trans-64.2104.2-173.5-166-88.4000111.9L329 L336 L358 C360 Y382 L386 L389L329-F334 HydrophobicContact CD2-CE2 4.33Å; F334-L336 HydrophobicContact CE1-CD1 4.34Å; F334-L336 HydrophobicContact CE1-CG 4.11Å; F334-L336 HydrophobicContact CE2-CD1 4.04Å; F334-L336 HydrophobicContact CE2-CD2 4.46Å; F334-L336 HydrophobicContact CE2-CG 3.99Å; F334-L336 HydrophobicContact CZ-CD1 3.58Å; F334-L336 HydrophobicContact CZ-CG 3.68Å; F334-L358 HydrophobicContact CE2-CD1 4.32Å; F334-L358 HydrophobicContact CZ-CD1 4.07Å; F334-C360 HydrophobicContact CB-CB 4.33Å; F334-C360 WeakPolarHBondContact CD2-SG 3.27Å; F334-C360 WeakPolarHBondContact CG-SG 3.34Å; F334-Y382 WeakPolarHBondContact O-CD1 3.33Å; F334-L386 HydrophobicContact CD1-CB 3.97Å; F334-L386 HydrophobicContact CD1-CD1 4.11Å; F334-L386 HydrophobicContact CE1-CB 4.23Å; F334-L386 HydrophobicContact CE1-CD1 3.73Å; F334-L386 HydrophobicContact CZ-CD1 4.11Å; F334-L389 HydrophobicContact CE1-CD2 3.68Å; F334-L389 HydrophobicContact CZ-CD2 3.47Å; F334-L389 VanDerWaalsContact CZ-CD2 3.47Å
335N93.2Very high93.1Very high2 Ų218.1 Ų18.11%0.0119%0.086CC..  trans-149.765.1174.9178.430.5000110.2Y333 T337 Y382 S455 R521 M524Y333-N335 PolarHBondContact O-N 3.25Å; N335-T337 PolarHBondContact O-N 2.95Å; N335-Y382 HydrophobicContact CB-CD1 3.91Å; N335-Y382 HydrophobicContact CB-CE1 3.98Å; N335-S455 WeakPolarHBondContact O-CA 3.4Å; N335-R521 WeakPolarHBondContact ND2-CA 3.47Å; N335-R521 PolarHBondContact ND2-O 3.04Å; N335-R521 VanDerWaalsContact OD1-CG 3.28Å; N335-R521 WeakPolarHBondContact OD1-CG 3.33Å; N335-R521 PolarHBondContact OD1-NE 3.41Å; N335-M524 PolarHBondContact ND2-OXT 2.91Å
336L93.8Very high93.1Very high3 Ų322.4 Ų22.42%0.01611%0.109CC..BIsolated β-bridgetrans-54.9140.2-177.3-65.3-173.6000112.1L329 F334 E341 F344 L389 F454 R521L329-L336 HydrophobicContact CD2-CD1 4.33Å; L329-L336 HydrophobicContact CD2-CD2 4.1Å; F334-L336 HydrophobicContact CE1-CD1 4.34Å; F334-L336 HydrophobicContact CE1-CG 4.11Å; F334-L336 HydrophobicContact CE2-CD1 4.04Å; F334-L336 HydrophobicContact CE2-CD2 4.46Å; F334-L336 HydrophobicContact CE2-CG 3.99Å; F334-L336 HydrophobicContact CZ-CD1 3.58Å; F334-L336 HydrophobicContact CZ-CG 3.68Å; L336-E341 HydrophobicContact CB-CG 4.42Å; L336-F344 HydrophobicContact CD1-CD2 3.85Å; L336-F344 HydrophobicContact CD1-CE2 3.71Å; L336-L389 HydrophobicContact CD1-CD2 4.01Å; L336-F454 HydrophobicContact CD2-CB 3.69Å; L336-R521 PolarHBondContact O-NH2 3.28Å
337T93.6Very high93Very high3 Ų319 Ų192%0.01810%0.095CC..  trans-72.3159.7171.968.20000111.1N335 L339 Y340 E341 S455 Y456 L459N335-T337 PolarHBondContact O-N 2.95Å; T337-L339 PolarHBondContact O-N 2.97Å; T337-L339 VanDerWaalsContact O-N 3.1Å; T337-Y340 HydrophobicContact CG2-CD2 4.42Å; T337-Y340 PolarHBondContact O-N 3.39Å; T337-Y340 WeakPolarHBondContact OG1-CD2 3.11Å; T337-E341 WeakPolarHBondContact O-CG 3.4Å; T337-E341 PolarHBondContact O-N 2.85Å; T337-S455 VanDerWaalsContact CG2-C 3.48Å; T337-S455 WeakPolarHBondContact CG2-O 3.39Å; T337-Y456 HydrophobicContact CG2-CD1 3.9Å; T337-Y456 HydrophobicContact CG2-CD2 3.96Å; T337-Y456 HydrophobicContact CG2-CE1 4.16Å; T337-Y456 HydrophobicContact CG2-CE2 4.25Å; T337-Y456 HydrophobicContact CG2-CG 3.79Å; T337-L459 HydrophobicContact CG2-CB 4.18Å; T337-L459 HydrophobicContact CG2-CD2 3.9Å
338K93Very high92.6Very high89 Ų8919.7 Ų19.739%0.38710%0.098SC..Hα-helixtrans-56.6-30.8177.2-170.356.7-179.3176.90112.9E341 N342 Y456K338-E341 HydrophobicContact CD-CB 4.36Å; K338-E341 WeakPolarHBondContact CD-OE2 3.49Å; K338-E341 IonicContact NZ-OE2 2.92Å; K338-E341 PolarHBondContact NZ-OE2 2.87Å; K338-N342 WeakPolarHBondContact CE-OD1 3.34Å; K338-N342 WeakPolarHBondContact O-CB 3.35Å; K338-N342 PolarHBondContact O-N 3.41Å; K338-N342 PolarHBondContact O-ND2 2.76Å; K338-N342 PolarHBondContact O-OD1 2.75Å; K338-Y456 PolarHBondContact N-OH 3.05Å; K338-Y456 VanDerWaalsContact N-OH 3.08Å
339L93.6Very high92Very high41 Ų4123.9 Ų23.922%0.21512%0.121CC..Hα-helixtrans-56.7-55.9171.717774.1000111K289 Q293 T337 N342 L343 L459K289-L339 HydrophobicContact CD-CD2 4.37Å; K289-L339 HydrophobicContact CG-CD2 3.71Å; Q293-L339 HydrophobicContact CG-CD1 3.99Å; Q293-L339 HydrophobicContact CG-CD2 4.14Å; Q293-L339 HydrophobicContact CG-CG 4.45Å; T337-L339 PolarHBondContact O-N 2.97Å; T337-L339 VanDerWaalsContact O-N 3.1Å; L339-N342 PolarHBondContact O-N 2.67Å; L339-L343 HydrophobicContact CG-CD1 4.28Å; L339-L343 WeakPolarHBondContact O-CG 3.13Å; L339-L343 PolarHBondContact O-N 3.31Å; L339-L459 HydrophobicContact CD2-CD2 4.47Å
340Y94.3Very high91.3Very high4 Ų424.9 Ų24.92%0.01613%0.129CC..Hα-helixtrans-65.4-40.1-179-69.3-63000111.6M292 T337 N342 L343 F344 F454M292-Y340 HydrophobicContact CB-CE1 3.94Å; M292-Y340 HydrophobicContact CG-CE1 4.28Å; T337-Y340 HydrophobicContact CG2-CD2 4.42Å; T337-Y340 PolarHBondContact O-N 3.39Å; T337-Y340 WeakPolarHBondContact OG1-CD2 3.11Å; Y340-N342 VanDerWaalsContact C-N 3.29Å; Y340-N342 PolarHBondContact O-N 2.82Å; Y340-L343 HydrophobicContact CD1-CD1 4.07Å; Y340-L343 HydrophobicContact CE1-CD1 4.49Å; Y340-L343 PolarHBondContact O-N 2.86Å; Y340-L343 VanDerWaalsContact O-N 3.14Å; Y340-F344 WeakPolarHBondContact O-CD2 3.32Å; Y340-F344 PolarHBondContact O-N 2.95Å; Y340-F454 HydrophobicContact CD2-CB 3.95Å; Y340-F454 WeakPolarHBondContact CD2-O 3.24Å; Y340-F454 HydrophobicContact CE1-CD1 4.18Å; Y340-F454 HydrophobicContact CE2-CB 3.8Å; Y340-F454 HydrophobicContact CE2-CD1 4.32Å; Y340-F454 AromaticContact CZ-CD1 3.89Å
341E93.5Very high90.2Very high11 Ų1131.1 Ų31.15%0.05117%0.167CC..Hα-helixtrans-53.1-48.2172.9-60.9-178.217900111.5L336 T337 K338 F344 L345 L389 L392 R521L336-E341 HydrophobicContact CB-CG 4.42Å; T337-E341 WeakPolarHBondContact O-CG 3.4Å; T337-E341 PolarHBondContact O-N 2.85Å; K338-E341 HydrophobicContact CD-CB 4.36Å; K338-E341 WeakPolarHBondContact CD-OE2 3.49Å; K338-E341 IonicContact NZ-OE2 2.92Å; K338-E341 PolarHBondContact NZ-OE2 2.87Å; E341-F344 PolarHBondContact O-N 3.33Å; E341-L345 WeakPolarHBondContact O-CG 3.37Å; E341-L345 PolarHBondContact O-N 3.41Å; E341-L389 HydrophobicContact CB-CD1 4.26Å; E341-L389 HydrophobicContact CG-CD1 3.98Å; E341-L392 HydrophobicContact CB-CD2 4.33Å; E341-R521 IonicContact OE1-CZ 3.86Å; E341-R521 IonicContact OE1-NH1 3.75Å; E341-R521 PolarHBondContact OE1-NH1 3.33Å; E341-R521 IonicContact OE1-NH2 2.92Å; E341-R521 PolarHBondContact OE1-NH2 2.99Å
342N92.4Very high89.3Confident68 Ų6832 Ų3236%0.36417%0.17SC..Hα-helixtrans-66.6-37179.3-68.4-12.7000112.3K338 L339 Y340 L345 N346K338-N342 WeakPolarHBondContact CE-OD1 3.34Å; K338-N342 WeakPolarHBondContact O-CB 3.35Å; K338-N342 PolarHBondContact O-N 3.41Å; K338-N342 PolarHBondContact O-ND2 2.76Å; K338-N342 PolarHBondContact O-OD1 2.75Å; L339-N342 PolarHBondContact O-N 2.67Å; Y340-N342 VanDerWaalsContact C-N 3.29Å; Y340-N342 PolarHBondContact O-N 2.82Å; N342-L345 PolarHBondContact O-N 2.86Å; N342-N346 WeakPolarHBondContact O-CB 3.49Å; N342-N346 PolarHBondContact O-N 3.49Å; N342-N346 PolarHBondContact O-OD1 3.3Å
343L92.3Very high88.8Confident14 Ų1436.5 Ų36.57%0.07319%0.193CC..Hα-helixtrans-63.6-41.5174.9-68.9175000111.5Q293 F296 L339 Y340 N346 M347Q293-L343 HydrophobicContact CG-CD1 4.31Å; F296-L343 HydrophobicContact CB-CB 4.12Å; F296-L343 HydrophobicContact CB-CD1 4.11Å; F296-L343 HydrophobicContact CB-CD2 3.93Å; F296-L343 HydrophobicContact CB-CG 4.27Å; F296-L343 HydrophobicContact CD1-CB 3.61Å; F296-L343 HydrophobicContact CD2-CD1 4.39Å; F296-L343 HydrophobicContact CE1-CB 4.19Å; F296-L343 HydrophobicContact CG-CB 3.96Å; F296-L343 HydrophobicContact CG-CD1 4.09Å; F296-L343 HydrophobicContact CG-CG 4.45Å; L339-L343 HydrophobicContact CG-CD1 4.28Å; L339-L343 WeakPolarHBondContact O-CG 3.13Å; L339-L343 PolarHBondContact O-N 3.31Å; Y340-L343 HydrophobicContact CD1-CD1 4.07Å; Y340-L343 HydrophobicContact CE1-CD1 4.49Å; Y340-L343 PolarHBondContact O-N 2.86Å; Y340-L343 VanDerWaalsContact O-N 3.14Å; L343-N346 PolarHBondContact O-N 3.05Å; L343-M347 WeakPolarHBondContact O-CB 3.24Å; L343-M347 PolarHBondContact O-N 3.28Å
344F91.3Very high88.7Confident1 Ų135.5 Ų35.50%0.00419%0.19CC..Hα-helixtrans-64.3-43.3173.4-83.9-76000112.2F296 L327 L329 L336 Y340 E341 N346 M347 L348 V356 L358 F393F296-F344 HydrophobicContact CE1-CD1 4.35Å; F296-F344 HydrophobicContact CE1-CD2 4.3Å; F296-F344 HydrophobicContact CE1-CE1 4.18Å; F296-F344 HydrophobicContact CE1-CE2 4.11Å; F296-F344 HydrophobicContact CE1-CG 4.39Å; F296-F344 HydrophobicContact CE1-CZ 4.04Å; F296-F344 HydrophobicContact CZ-CE1 4.45Å; F296-F344 HydrophobicContact CZ-CE2 4.07Å; F296-F344 AromaticContact CZ-CZ 3.93Å; F296-F344 HydrophobicContact CZ-CZ 3.93Å; L327-F344 HydrophobicContact CD2-CE1 3.78Å; L327-F344 HydrophobicContact CD2-CZ 4.07Å; L329-F344 HydrophobicContact CB-CZ 4.44Å; L329-F344 HydrophobicContact CD2-CE2 3.91Å; L329-F344 HydrophobicContact CD2-CZ 3.69Å; L336-F344 HydrophobicContact CD1-CD2 3.85Å; L336-F344 HydrophobicContact CD1-CE2 3.71Å; Y340-F344 WeakPolarHBondContact O-CD2 3.32Å; Y340-F344 PolarHBondContact O-N 2.95Å; E341-F344 PolarHBondContact O-N 3.33Å; F344-N346 PolarHBondContact O-N 2.75Å; F344-M347 HydrophobicContact CD1-CE 3.38Å; F344-M347 HydrophobicContact CE1-CE 3.68Å; F344-M347 HydrophobicContact CG-CE 4.33Å; F344-M347 PolarHBondContact O-N 3.2Å; F344-L348 WeakPolarHBondContact O-CB 3.4Å; F344-L348 WeakPolarHBondContact O-CD1 3.1Å; F344-L348 VanDerWaalsContact O-CG 3.22Å; F344-L348 WeakPolarHBondContact O-CG 3.21Å; F344-L348 PolarHBondContact O-N 2.71Å; F344-V356 HydrophobicContact CD1-CG1 3.89Å; F344-V356 HydrophobicContact CE1-CG1 3.63Å; F344-L358 HydrophobicContact CE1-CD2 3.98Å; F344-L358 HydrophobicContact CZ-CD2 4.08Å; F344-F393 HydrophobicContact CB-CE1 4.16Å; F344-F393 HydrophobicContact CB-CZ 3.88Å
345L89.7Confident88.6Confident19 Ų1937 Ų3710%0.09920%0.198CC..Hα-helixtrans-58.6-46.9175.4-74.4177.3000112.2E341 N342 M347 L348 N349 L392 F393 T396 L398E341-L345 WeakPolarHBondContact O-CG 3.37Å; E341-L345 PolarHBondContact O-N 3.41Å; N342-L345 PolarHBondContact O-N 2.86Å; L345-M347 VanDerWaalsContact C-N 3.31Å; L345-M347 PolarHBondContact O-N 3.41Å; L345-L348 PolarHBondContact O-N 3.49Å; L345-N349 WeakPolarHBondContact O-CB 3.39Å; L345-N349 PolarHBondContact O-N 3.23Å; L345-N349 PolarHBondContact O-ND2 2.87Å; L345-L392 HydrophobicContact CD1-CD1 4.36Å; L345-L392 HydrophobicContact CD1-CD2 3.92Å; L345-L392 HydrophobicContact CD1-CG 4.13Å; L345-L392 HydrophobicContact CD2-CG 4.33Å; L345-L392 HydrophobicContact CG-CD2 4.49Å; L345-F393 HydrophobicContact CD2-CD1 3.63Å; L345-F393 HydrophobicContact CD2-CE1 3.9Å; L345-F393 HydrophobicContact CG-CD1 4.48Å; L345-F393 HydrophobicContact CG-CE1 4.3Å; L345-T396 HydrophobicContact CD2-CG2 4.26Å; L345-L398 HydrophobicContact CD2-CD1 3.67Å
346N88.5Confident88.6Confident92 Ų9236.9 Ų36.949%0.49220%0.197SC..Hα-helixtrans-62.6-41.3179.1-70-10.4000111.5T300 N342 L343 F344 N349 S350T300-N346 HydrophobicContact CG2-CB 4.41Å; N342-N346 WeakPolarHBondContact O-CB 3.49Å; N342-N346 PolarHBondContact O-N 3.49Å; N342-N346 PolarHBondContact O-OD1 3.3Å; L343-N346 PolarHBondContact O-N 3.05Å; F344-N346 PolarHBondContact O-N 2.75Å; N346-N349 PolarHBondContact O-N 3.16Å; N346-S350 PolarHBondContact O-N 3.32Å; N346-S350 VanDerWaalsContact O-N 3.11Å
347M87.7Confident88.7Confident1 Ų137 Ų371%0.00520%0.198CC..Hα-helixtrans-63.8-44.1177.7-172.417755.900111.9F296 V299 L327 L343 F344 L345 N349 S350 I354 V356F296-M347 HydrophobicContact CD1-SD 4.28Å; F296-M347 HydrophobicContact CE1-CE 4.08Å; F296-M347 HydrophobicContact CE1-SD 4.26Å; V299-M347 HydrophobicContact CG1-SD 4.13Å; L327-M347 HydrophobicContact CD1-CE 3.99Å; L327-M347 HydrophobicContact CD1-SD 3.73Å; L343-M347 WeakPolarHBondContact O-CB 3.24Å; L343-M347 PolarHBondContact O-N 3.28Å; F344-M347 HydrophobicContact CD1-CE 3.38Å; F344-M347 HydrophobicContact CE1-CE 3.68Å; F344-M347 HydrophobicContact CG-CE 4.33Å; F344-M347 PolarHBondContact O-N 3.2Å; L345-M347 VanDerWaalsContact C-N 3.31Å; L345-M347 PolarHBondContact O-N 3.41Å; M347-N349 VanDerWaalsContact C-N 3.32Å; M347-N349 PolarHBondContact O-N 3.02Å; M347-S350 VanDerWaalsContact O-CB 3.27Å; M347-S350 WeakPolarHBondContact O-CB 3.18Å; M347-S350 PolarHBondContact O-N 3.35Å; M347-S350 VanDerWaalsContact O-N 3.17Å; M347-S350 PolarHBondContact O-OG 3.49Å; M347-I354 HydrophobicContact CG-CB 4.29Å; M347-I354 HydrophobicContact CG-CD1 3.45Å; M347-I354 VanDerWaalsContact CG-CD1 3.45Å; M347-I354 HydrophobicContact CG-CG1 4.46Å; M347-I354 HydrophobicContact CG-CG2 3.85Å; M347-I354 HydrophobicContact SD-CD1 4.45Å; M347-I354 HydrophobicContact SD-CG2 3.79Å; M347-V356 HydrophobicContact CE-CG2 3.37Å
348L86.9Confident88.8Confident16 Ų1636.9 Ų36.98%0.08420%0.197CC..Hα-helixtrans-72.1-23.7179-69.3165.9000113.7F344 L345 V356 F393 L398 I403F344-L348 WeakPolarHBondContact O-CB 3.4Å; F344-L348 WeakPolarHBondContact O-CD1 3.1Å; F344-L348 VanDerWaalsContact O-CG 3.22Å; F344-L348 WeakPolarHBondContact O-CG 3.21Å; F344-L348 PolarHBondContact O-N 2.71Å; L345-L348 PolarHBondContact O-N 3.49Å; L348-V356 HydrophobicContact CD2-CB 4.37Å; L348-V356 HydrophobicContact CD2-CG2 3.76Å; L348-V356 HydrophobicContact CG-CG2 4.41Å; L348-F393 HydrophobicContact CD1-CD1 4.16Å; L348-F393 HydrophobicContact CD1-CD2 4.36Å; L348-F393 HydrophobicContact CD1-CE1 3.92Å; L348-F393 HydrophobicContact CD1-CE2 4.13Å; L348-F393 HydrophobicContact CD1-CG 4.37Å; L348-F393 HydrophobicContact CD1-CZ 3.9Å; L348-L398 HydrophobicContact CB-CD1 3.94Å; L348-L398 HydrophobicContact CB-CD2 4.39Å; L348-L398 HydrophobicContact CD1-CD1 3.92Å; L348-I403 HydrophobicContact CD1-CD1 3.4Å; L348-I403 VanDerWaalsContact CD1-CD1 3.4Å; L348-I403 HydrophobicContact CD1-CG1 3.94Å; L348-I403 HydrophobicContact CD2-CD1 3.83Å; L348-I403 HydrophobicContact CD2-CG1 3.49Å; L348-I403 VanDerWaalsContact CD2-CG1 3.49Å; L348-I403 HydrophobicContact CG-CD1 4.22Å; L348-I403 HydrophobicContact CG-CG1 4.36Å
349N84.6Confident89Confident101 Ų10132.7 Ų32.754%0.5418%0.179SC..THydrogen-bonded Turntrans-85.7-7.1171.1-83.7-43000113.5L345 N346 M347 L398L345-N349 WeakPolarHBondContact O-CB 3.39Å; L345-N349 PolarHBondContact O-N 3.23Å; L345-N349 PolarHBondContact O-ND2 2.87Å; N346-N349 PolarHBondContact O-N 3.16Å; M347-N349 VanDerWaalsContact C-N 3.32Å; M347-N349 PolarHBondContact O-N 3.02Å; N349-L398 HydrophobicContact CB-CD2 4.47Å; N349-L398 WeakPolarHBondContact ND2-CD2 3.49Å; N349-L398 WeakPolarHBondContact OD1-CD2 3.18Å
350S82.3Confident89.1Confident25 Ų2531 Ų3118%0.17517%0.171CC..SBendtrans-68.6155.7-176.981.90000111.3N346 M347 R352 I354N346-S350 PolarHBondContact O-N 3.32Å; N346-S350 VanDerWaalsContact O-N 3.11Å; M347-S350 VanDerWaalsContact O-CB 3.27Å; M347-S350 WeakPolarHBondContact O-CB 3.18Å; M347-S350 PolarHBondContact O-N 3.35Å; M347-S350 VanDerWaalsContact O-N 3.17Å; M347-S350 PolarHBondContact O-OG 3.49Å; S350-R352 PolarHBondContact O-N 2.81Å; S350-R352 PolarHBondContact OG-N 2.94Å; S350-R352 PolarHBondContact OG-O 2.57Å; S350-I354 WeakPolarHBondContact OG-CD1 3.37Å
351T74.4Confident89.1Confident130 Ų13031.6 Ų31.680%0.79818%0.176SC*.SBendtrans-72.2-8.5174.655.70000113
352R77.2Confident89.1Confident19 Ų1931.1 Ų31.17%0.07217%0.174CC..SBendtrans-81.5142.6177.2-74.4-175.5169.4168-1.9110.4Y298 V299 S301 S350 I354Y298-R352 PolarHBondContact O-NH1 3.37Å; V299-R352 WeakPolarHBondContact O-CD 3.24Å; V299-R352 PolarHBondContact O-NH1 3.28Å; S301-R352 PolarHBondContact O-NH1 2.94Å; S301-R352 VanDerWaalsContact O-NH1 3.13Å; S301-R352 PolarHBondContact O-NH2 3.13Å; S350-R352 PolarHBondContact O-N 2.81Å; S350-R352 PolarHBondContact OG-N 2.94Å; S350-R352 PolarHBondContact OG-O 2.57Å; R352-I354 HydrophobicContact CB-CD1 4Å; R352-I354 HydrophobicContact CB-CG1 3.89Å; R352-I354 PolarHBondContact O-N 3.3Å
353N80.3Confident88.9Confident97 Ų9728 Ų2852%0.51916%0.158SC..  trans-74.698171.2-171.821.4000109.8S324 F325 N402S324-N353 WeakPolarHBondContact CA-O 3.22Å; S324-N353 VanDerWaalsContact CB-O 3.23Å; S324-N353 WeakPolarHBondContact CB-O 3.32Å; F325-N353 PolarHBondContact N-O 3.39Å; F325-N353 VanDerWaalsContact N-O 3.17Å; N353-N402 PolarHBondContact OD1-ND2 2.83Å
354I87.2Confident88.8Confident3 Ų332.2 Ų32.22%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-117.6117.3-178.8-55.9169.6000109.1V299 F325 M347 S350 R352 V356 N402V299-I354 HydrophobicContact CG1-CD1 3.95Å; F325-I354 HydrophobicContact CB-CG1 4.45Å; F325-I354 HydrophobicContact CB-CG2 4.36Å; F325-I354 CarbonylContact O-C 3.55Å; F325-I354 WeakPolarHBondContact O-CA 3.44Å; M347-I354 HydrophobicContact CG-CB 4.29Å; M347-I354 HydrophobicContact CG-CD1 3.45Å; M347-I354 VanDerWaalsContact CG-CD1 3.45Å; M347-I354 HydrophobicContact CG-CG1 4.46Å; M347-I354 HydrophobicContact CG-CG2 3.85Å; M347-I354 HydrophobicContact SD-CD1 4.45Å; M347-I354 HydrophobicContact SD-CG2 3.79Å; S350-I354 WeakPolarHBondContact OG-CD1 3.37Å; R352-I354 HydrophobicContact CB-CD1 4Å; R352-I354 HydrophobicContact CB-CG1 3.89Å; R352-I354 PolarHBondContact O-N 3.3Å; I354-V356 HydrophobicContact CG2-CG2 4.24Å; I354-N402 WeakPolarHBondContact O-CB 3.48Å; I354-N402 PolarHBondContact O-ND2 2.89Å
355N90.4Very high88.6Confident37 Ų3732.2 Ų32.220%0.19818%0.178CC..EExtended strand (participates in β ladder)trans-93.9123.4175.2-171.7-82.5000110.1F325 K326 L327 N357 N404F325-N355 PolarHBondContact O-N 3.13Å; K326-N355 CarbonylContact C-O 3.59Å; K326-N355 WeakPolarHBondContact CA-O 3.08Å; K326-N355 HydrophobicContact CG-CB 4.32Å; L327-N355 PolarHBondContact N-O 3.32Å; N355-N357 PolarHBondContact OD1-ND2 3.03Å; N355-N357 PolarHBondContact OD1-OD1 3.34Å; N355-N404 PolarHBondContact OD1-ND2 3.05Å
356V93.6Very high88.3Confident0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-110.6124.5-175.3179.40000110.1L327 F344 M347 L348 I354 L358 N402 I403 N404L327-V356 HydrophobicContact CD2-CG1 4.37Å; L327-V356 CarbonylContact O-C 3.59Å; L327-V356 WeakPolarHBondContact O-CA 3.47Å; F344-V356 HydrophobicContact CD1-CG1 3.89Å; F344-V356 HydrophobicContact CE1-CG1 3.63Å; M347-V356 HydrophobicContact CE-CG2 3.37Å; L348-V356 HydrophobicContact CD2-CB 4.37Å; L348-V356 HydrophobicContact CD2-CG2 3.76Å; L348-V356 HydrophobicContact CG-CG2 4.41Å; I354-V356 HydrophobicContact CG2-CG2 4.24Å; V356-L358 HydrophobicContact CG1-CD2 3.74Å; V356-L358 HydrophobicContact CG1-CG 4.15Å; V356-N402 PolarHBondContact N-O 2.97Å; V356-I403 CarbonylContact O-C 3.6Å; V356-I403 WeakPolarHBondContact O-CA 3.29Å; V356-N404 PolarHBondContact O-N 3.25Å
357N95.5Very high87.5Confident7 Ų729.9 Ų29.94%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-122.8115.2-178.1-58.1-89.6000109.4L327 F328 L329 N355 N404 Y406 F488L327-N357 PolarHBondContact O-N 3.39Å; L327-N357 PolarHBondContact O-ND2 2.86Å; F328-N357 CarbonylContact C-O 3.56Å; F328-N357 WeakPolarHBondContact CA-O 3.34Å; F328-N357 HydrophobicContact CD1-CB 3.33Å; F328-N357 HydrophobicContact CE1-CB 3.62Å; F328-N357 VanDerWaalsContact CE1-CG 3.45Å; F328-N357 WeakPolarHBondContact CE1-ND2 3.45Å; F328-N357 HydrophobicContact CG-CB 4.05Å; L329-N357 PolarHBondContact N-O 3.27Å; N355-N357 PolarHBondContact OD1-ND2 3.03Å; N355-N357 PolarHBondContact OD1-OD1 3.34Å; N357-N404 CarbonylContact C-O 3.51Å; N357-N404 VanDerWaalsContact CA-O 3.3Å; N357-N404 WeakPolarHBondContact CA-O 3.3Å; N357-N404 WeakPolarHBondContact OD1-CB 3.46Å; N357-N404 PolarHBondContact OD1-ND2 2.85Å; N357-Y406 HydrophobicContact CB-CE2 4.4Å; N357-F488 HydrophobicContact CB-CE1 4.08Å
358L96.5Very high86.7Confident0 Ų032.6 Ų32.60%019%0.19CC..EExtended strand (participates in β ladder)trans-108.6126-179.1-50.9-173000110.1L329 F334 F344 V356 L389 N404 I405 Y406L329-L358 HydrophobicContact CB-CD2 3.78Å; L329-L358 HydrophobicContact CD2-CD2 4.14Å; L329-L358 HydrophobicContact CG-CD2 4.49Å; L329-L358 CarbonylContact O-C 3.26Å; L329-L358 WeakPolarHBondContact O-CA 3.3Å; F334-L358 HydrophobicContact CE2-CD1 4.32Å; F334-L358 HydrophobicContact CZ-CD1 4.07Å; F344-L358 HydrophobicContact CE1-CD2 3.98Å; F344-L358 HydrophobicContact CZ-CD2 4.08Å; V356-L358 HydrophobicContact CG1-CD2 3.74Å; V356-L358 HydrophobicContact CG1-CG 4.15Å; L358-L389 HydrophobicContact CD1-CD2 4.1Å; L358-N404 PolarHBondContact N-O 3.2Å; L358-I405 HydrophobicContact CB-CD1 3.69Å; L358-I405 HydrophobicContact CD1-CD1 3.6Å; L358-I405 HydrophobicContact CG-CD1 3.71Å; L358-I405 CarbonylContact O-C 3.6Å; L358-I405 WeakPolarHBondContact O-CA 3.4Å; L358-Y406 PolarHBondContact O-N 2.75Å
359L97.1Very high86Confident1 Ų134.4 Ų34.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-114.1121.3174.817660.8000110.5L329 A330 S331 F415 L487 F488 C493L329-L359 PolarHBondContact O-N 2.82Å; A330-L359 WeakPolarHBondContact CA-O 3.39Å; A330-L359 HydrophobicContact CB-CB 4.31Å; A330-L359 HydrophobicContact CB-CD2 4.44Å; S331-L359 PolarHBondContact N-O 2.88Å; L359-F415 HydrophobicContact CD2-CE1 4.41Å; L359-F415 HydrophobicContact CD2-CE2 3.99Å; L359-F415 HydrophobicContact CD2-CZ 3.54Å; L359-F415 HydrophobicContact CG-CE1 4.18Å; L359-F415 HydrophobicContact CG-CZ 3.8Å; L359-L487 HydrophobicContact CD2-CB 4.43Å; L359-L487 WeakPolarHBondContact CD2-O 3.28Å; L359-F488 HydrophobicContact CB-CD1 4.18Å; L359-F488 HydrophobicContact CB-CE1 3.5Å; L359-F488 VanDerWaalsContact CB-CE1 3.5Å; L359-F488 HydrophobicContact CB-CE2 4.11Å; L359-F488 HydrophobicContact CB-CZ 3.45Å; L359-F488 VanDerWaalsContact CB-CZ 3.45Å; L359-F488 HydrophobicContact CD2-CD1 4.44Å; L359-F488 HydrophobicContact CD2-CD2 4.07Å; L359-F488 HydrophobicContact CD2-CE1 4.41Å; L359-F488 HydrophobicContact CD2-CE2 4.03Å; L359-F488 HydrophobicContact CD2-CG 4.28Å; L359-F488 HydrophobicContact CD2-CZ 4.2Å; L359-F488 HydrophobicContact CG-CZ 4.48Å; L359-C493 HydrophobicContact CD1-CB 4.25Å; L359-C493 WeakPolarHBondContact CD1-SG 3.12Å
360C95.6Very high85.2Confident5 Ų538.9 Ų38.93%0.03421%0.214CC..EExtended strand (participates in β ladder)trans-118.4154.3179.6-57.50000110.9F334 S362 L386 Y406 E407 Y408F334-C360 HydrophobicContact CB-CB 4.33Å; F334-C360 WeakPolarHBondContact CD2-SG 3.27Å; F334-C360 WeakPolarHBondContact CG-SG 3.34Å; C360-S362 PolarHBondContact O-N 2.89Å; C360-L386 HydrophobicContact CB-CD2 4.4Å; C360-Y406 PolarHBondContact N-O 3.04Å; C360-E407 CarbonylContact O-C 3.52Å; C360-E407 WeakPolarHBondContact O-CA 3.44Å; C360-Y408 PolarHBondContact O-N 3.44Å
361A93.7Very high84.5Confident16 Ų1639 Ų3913%0.13222%0.215CC..EExtended strand (participates in β ladder)trans-66.2127.9165.600000109.7F415A361-F415 HydrophobicContact CB-CB 3.99Å; A361-F415 HydrophobicContact CB-CD1 3.98Å; A361-F415 HydrophobicContact CB-CG 4.47Å
362S93.2Very high84.1Confident2 Ų242.3 Ų42.31%0.01422%0.218CC..  trans-61151163.1-171.80000109.6C360 M364 A365 N366 E407 Y408C360-S362 PolarHBondContact O-N 2.89Å; S362-M364 PolarHBondContact O-N 2.98Å; S362-A365 CarbonylContact O-C 3.56Å; S362-A365 PolarHBondContact O-N 3.12Å; S362-N366 PolarHBondContact O-N 2.71Å; S362-E407 VanDerWaalsContact CB-OE2 3.32Å; S362-E407 WeakPolarHBondContact CB-OE2 3.42Å; S362-E407 PolarHBondContact OG-OE2 3.22Å; S362-Y408 WeakPolarHBondContact CB-O 3.42Å; S362-Y408 PolarHBondContact N-O 3.03Å; S362-Y408 VanDerWaalsContact N-O 3.09Å
363P89.8Confident84.1Confident2 Ų244.1 Ų44.11%0.01324%0.243CC..G310 helixtrans-50.8-32.6170.2-29.837.6000112.9A365 N366 L369 P379 L380 R383 Y507P363-A365 VanDerWaalsContact C-N 3.34Å; P363-N366 PolarHBondContact O-N 3.38Å; P363-L369 HydrophobicContact CB-CD1 4.33Å; P363-L369 WeakPolarHBondContact O-CB 3.46Å; P363-L369 WeakPolarHBondContact O-CD2 3.36Å; P363-P379 HydrophobicContact CB-CB 4.16Å; P363-L380 HydrophobicContact CB-CD2 4.43Å; P363-R383 HydrophobicContact CG-CB 4.36Å; P363-Y507 HydrophobicContact CB-CD1 4.03Å; P363-Y507 HydrophobicContact CB-CG 4.35Å; P363-Y507 HydrophobicContact CG-CD1 4.47Å; P363-Y507 HydrophobicContact CG-CG 4.31Å
364M88.9Confident83.8Confident103 Ų10341.6 Ų41.651%0.50724%0.236SC..G310 helixtrans-67.9-28.3175.8-68-178.761.300114.4S362 Y507S362-M364 PolarHBondContact O-N 2.98Å; M364-Y507 HydrophobicContact CG-CE1 4.37Å; M364-Y507 HydrophobicContact SD-CE2 4.45Å; M364-Y507 PolarHBondContact SD-OH 3.06Å
365A87.7Confident83.2Confident1 Ų142.1 Ų42.11%0.00824%0.24CC..G310 helixtrans-97.514.1177.800000112.4S362 P363 Y408 T414 F415S362-A365 CarbonylContact O-C 3.56Å; S362-A365 PolarHBondContact O-N 3.12Å; P363-A365 VanDerWaalsContact C-N 3.34Å; A365-Y408 HydrophobicContact CB-CD1 3.86Å; A365-Y408 VanDerWaalsContact CB-O 3.27Å; A365-Y408 WeakPolarHBondContact CB-O 3.26Å; A365-T414 CarbonylContact O-C 3.45Å; A365-T414 WeakPolarHBondContact O-CA 3.15Å; A365-T414 WeakPolarHBondContact O-CB 3.27Å; A365-F415 HydrophobicContact CB-CB 4.3Å; A365-F415 PolarHBondContact O-N 3.19Å
366N82.9Confident82.8Confident9 Ų941.2 Ų41.25%0.04824%0.239CC..  trans-103.1124.2179.2-163.7-59.8000110.8S362 P363 F368 L369 P379S362-N366 PolarHBondContact O-N 2.71Å; P363-N366 PolarHBondContact O-N 3.38Å; N366-F368 PolarHBondContact O-N 3.3Å; N366-F368 WeakPolarHBondContact OD1-CD2 3.35Å; N366-F368 PolarHBondContact OD1-N 3.37Å; N366-F368 VanDerWaalsContact OD1-N 3.09Å; N366-L369 WeakPolarHBondContact O-CB 3.43Å; N366-L369 PolarHBondContact O-N 3.08Å; N366-P379 HydrophobicContact CB-CB 3.89Å; N366-P379 HydrophobicContact CB-CG 3.89Å
367G72.7Confident82.4Confident52 Ų5244.7 Ų44.754%0.53625%0.253SS..THydrogen-bonded Turntrans-61.5-11.7-178.300000115.6
368F71.2Confident81.9Confident59 Ų5945.8 Ų45.826%0.25926%0.258SS..THydrogen-bonded Turntrans-87.5-9.1174-70.1-73.6000114.3Y333 N366 K370 S371 I378 P379Y333-F368 HydrophobicContact CE1-CD2 4.16Å; Y333-F368 HydrophobicContact CE1-CE2 4.02Å; N366-F368 PolarHBondContact O-N 3.3Å; N366-F368 WeakPolarHBondContact OD1-CD2 3.35Å; N366-F368 PolarHBondContact OD1-N 3.37Å; N366-F368 VanDerWaalsContact OD1-N 3.09Å; F368-K370 PolarHBondContact O-N 3.25Å; F368-S371 VanDerWaalsContact O-CB 3.22Å; F368-S371 WeakPolarHBondContact O-CB 3.27Å; F368-S371 PolarHBondContact O-N 2.92Å; F368-S371 PolarHBondContact O-OG 3.42Å; F368-I378 HydrophobicContact CB-CB 4.38Å; F368-I378 HydrophobicContact CD1-CD1 4.21Å; F368-I378 HydrophobicContact CD2-CG2 4.05Å; F368-I378 HydrophobicContact CE1-CD1 4.35Å; F368-I378 HydrophobicContact CG-CB 4.48Å; F368-I378 HydrophobicContact CG-CD1 4.35Å; F368-I378 HydrophobicContact CG-CG2 4.4Å; F368-P379 HydrophobicContact CB-CG 3.9Å
369L71.2Confident81.5Confident53 Ų5346 Ų4628%0.27726%0.259SS..THydrogen-bonded Turntrans-59.9133.4-179.8-168.271.5000110P363 N366 S371P363-L369 HydrophobicContact CB-CD1 4.33Å; P363-L369 WeakPolarHBondContact O-CB 3.46Å; P363-L369 WeakPolarHBondContact O-CD2 3.36Å; N366-L369 WeakPolarHBondContact O-CB 3.43Å; N366-L369 PolarHBondContact O-N 3.08Å; L369-S371 PolarHBondContact O-N 3.39Å
370K67.2Low81.2Confident196 Ų19647 Ų4785%0.85226%0.264SS*.THydrogen-bonded Turntrans658.8-174.4-48.2178.3-178174.60115.5F368F368-K370 PolarHBondContact O-N 3.25Å
371S67.7Low81Confident28 Ų2846.9 Ų46.920%0.19626%0.264CS..  trans-63.6139.5171.366.90000110.8F368 L369 S375 G376F368-S371 VanDerWaalsContact O-CB 3.22Å; F368-S371 WeakPolarHBondContact O-CB 3.27Å; F368-S371 PolarHBondContact O-N 2.92Å; F368-S371 PolarHBondContact O-OG 3.42Å; L369-S371 PolarHBondContact O-N 3.39Å; S371-S375 WeakPolarHBondContact CB-OG 3.32Å; S371-S375 WeakPolarHBondContact OG-CB 3.3Å; S371-S375 PolarHBondContact OG-O 3.47Å; S371-S375 PolarHBondContact OG-OG 3.49Å; S371-G376 WeakPolarHBondContact O-CA 3.33Å; S371-G376 PolarHBondContact O-N 3.12Å; S371-G376 WeakPolarHBondContact OG-CA 3.29Å; S371-G376 PolarHBondContact OG-N 3.48Å
372K67.4Low80.9Confident198 Ų19847 Ų4786%0.86126%0.262SS*.SBendtrans-63.7139.6-178.2-65.6-174.4179.4-177.90111.4S375K372-S375 PolarHBondContact O-OG 2.89Å
373G75.6Confident80.9Confident58 Ų5847.3 Ų47.360%0.59826%0.262SS*.G310 helixtrans74-154.5175.400000113.7S375 G376G373-S375 PolarHBondContact O-N 2.85Å; G373-S375 VanDerWaalsContact O-N 3.11Å; G373-G376 PolarHBondContact O-N 3.28Å
374A74.5Confident81.2Confident43 Ų4347.6 Ų47.636%0.35526%0.263SS..G310 helixtrans-60.6-25.1-170.900000114.8W152 G376 Y377W152-A374 HydrophobicContact CZ2-CB 3.73Å; A374-G376 PolarHBondContact O-N 2.78Å; A374-Y377 PolarHBondContact O-N 2.79Å; A374-Y377 VanDerWaalsContact O-N 3.14Å
375S75.5Confident81.4Confident15 Ų1542.8 Ų42.811%0.10524%0.24CC..G310 helixtrans-65-22.1176.658.30000113R151 S371 K372 G373 Y377 I378R151-S375 PolarHBondContact NH1-OG 3.48Å; R151-S375 VanDerWaalsContact NH1-OG 3.16Å; S371-S375 WeakPolarHBondContact CB-OG 3.32Å; S371-S375 WeakPolarHBondContact OG-CB 3.3Å; S371-S375 PolarHBondContact OG-O 3.47Å; S371-S375 PolarHBondContact OG-OG 3.49Å; K372-S375 PolarHBondContact O-OG 2.89Å; G373-S375 PolarHBondContact O-N 2.85Å; G373-S375 VanDerWaalsContact O-N 3.11Å; S375-Y377 PolarHBondContact O-N 2.63Å; S375-I378 WeakPolarHBondContact O-CB 3.03Å; S375-I378 WeakPolarHBondContact O-CG1 3.47Å; S375-I378 PolarHBondContact O-N 2.95Å
376G80.5Confident81.7Confident17 Ų1742.9 Ų42.918%0.17524%0.241CC..G310 helixtrans-65.5-21.4175.500000113.4S371 G373 A374S371-G376 WeakPolarHBondContact O-CA 3.33Å; S371-G376 PolarHBondContact O-N 3.12Å; S371-G376 WeakPolarHBondContact OG-CA 3.29Å; S371-G376 PolarHBondContact OG-N 3.48Å; G373-G376 PolarHBondContact O-N 3.28Å; A374-G376 PolarHBondContact O-N 2.78Å
377Y85.7Confident82.3Confident74 Ų7442.5 Ų42.529%0.2924%0.239SC..G310 helixtrans-84.6-13.1176.7-63-67000113.6A374 S375 L380 A381 L509 P510 Y512A374-Y377 PolarHBondContact O-N 2.79Å; A374-Y377 VanDerWaalsContact O-N 3.14Å; S375-Y377 PolarHBondContact O-N 2.63Å; Y377-L380 HydrophobicContact CD1-CD1 4.19Å; Y377-L380 WeakPolarHBondContact O-CA 3.1Å; Y377-L380 WeakPolarHBondContact O-CB 3.45Å; Y377-L380 PolarHBondContact O-N 3.33Å; Y377-A381 PolarHBondContact O-N 2.85Å; Y377-L509 HydrophobicContact CD1-CD1 3.99Å; Y377-L509 HydrophobicContact CG-CD1 4.26Å; Y377-P510 HydrophobicContact CD1-CG 4.39Å; Y377-P510 HydrophobicContact CE1-CG 3.78Å; Y377-Y512 PolarHBondContact OH-OH 3.49Å; Y377-Y512 VanDerWaalsContact OH-OH 3.13Å
378I85.6Confident83.3Confident30 Ų3043.4 Ų43.415%0.15423%0.229CC..Hα-helixtrans-55.8-49.5-176.2-69.5171.9000112.1F368 S375 L380 A381 Y382 M524F368-I378 HydrophobicContact CB-CB 4.38Å; F368-I378 HydrophobicContact CD1-CD1 4.21Å; F368-I378 HydrophobicContact CD2-CG2 4.05Å; F368-I378 HydrophobicContact CE1-CD1 4.35Å; F368-I378 HydrophobicContact CG-CB 4.48Å; F368-I378 HydrophobicContact CG-CD1 4.35Å; F368-I378 HydrophobicContact CG-CG2 4.4Å; S375-I378 WeakPolarHBondContact O-CB 3.03Å; S375-I378 WeakPolarHBondContact O-CG1 3.47Å; S375-I378 PolarHBondContact O-N 2.95Å; I378-L380 PolarHBondContact O-N 2.85Å; I378-A381 PolarHBondContact O-N 2.95Å; I378-Y382 HydrophobicContact CG2-CD2 3.87Å; I378-Y382 HydrophobicContact CG2-CE2 3.2Å; I378-Y382 WeakPolarHBondContact O-CD2 3.41Å; I378-Y382 PolarHBondContact O-N 3.38Å; I378-Y382 VanDerWaalsContact O-N 3.14Å; I378-M524 HydrophobicContact CB-SD 4.48Å; I378-M524 HydrophobicContact CG1-CE 3.95Å; I378-M524 HydrophobicContact CG1-SD 4.2Å; I378-M524 HydrophobicContact CG2-SD 4.05Å
379P87Confident84.3Confident4 Ų440.7 Ų40.73%0.02622%0.217CC..Hα-helixtrans-60.3-35177.2-20.932.5000112.9P363 N366 F368 R383P363-P379 HydrophobicContact CB-CB 4.16Å; N366-P379 HydrophobicContact CB-CB 3.89Å; N366-P379 HydrophobicContact CB-CG 3.89Å; F368-P379 HydrophobicContact CB-CG 3.9Å; P379-R383 PolarHBondContact O-N 3.25Å; P379-R383 VanDerWaalsContact O-N 3.13Å
380L91.5Very high85.4Confident21 Ų2138.9 Ų38.911%0.1121%0.208CC..Hα-helixtrans-72.2-37180-48.4-174.9000111P363 Y377 I378 R383 E384 L509P363-L380 HydrophobicContact CB-CD2 4.43Å; Y377-L380 HydrophobicContact CD1-CD1 4.19Å; Y377-L380 WeakPolarHBondContact O-CA 3.1Å; Y377-L380 WeakPolarHBondContact O-CB 3.45Å; Y377-L380 PolarHBondContact O-N 3.33Å; I378-L380 PolarHBondContact O-N 2.85Å; L380-R383 PolarHBondContact O-N 2.93Å; L380-E384 WeakPolarHBondContact O-CG 3.43Å; L380-E384 PolarHBondContact O-N 2.93Å; L380-L509 HydrophobicContact CB-CB 4.26Å; L380-L509 HydrophobicContact CB-CD1 4.05Å
381A91.1Very high86.6Confident4 Ų433.6 Ų33.63%0.03319%0.186CC..Hα-helixtrans-63.9-43.1175.600000111.9Y377 I378 R383 E384 A385 L517 M524Y377-A381 PolarHBondContact O-N 2.85Å; I378-A381 PolarHBondContact O-N 2.95Å; A381-R383 VanDerWaalsContact C-N 3.33Å; A381-R383 PolarHBondContact O-N 2.89Å; A381-E384 PolarHBondContact O-N 3.35Å; A381-A385 PolarHBondContact O-N 2.88Å; A381-L517 HydrophobicContact CB-CD1 4.06Å; A381-M524 HydrophobicContact CB-CE 4.36Å
382Y92.3Very high87.7Confident19 Ų1934.1 Ų34.18%0.07519%0.186CC..Hα-helixtrans-61.5-42.5173.4-66.1-51000112.1Y333 F334 N335 I378 E384 A385 L386 M524Y333-Y382 AromaticContact CD1-CD2 4Å; Y333-Y382 HydrophobicContact CD1-CD2 4Å; Y333-Y382 AromaticContact CD1-CE2 3.28Å; Y333-Y382 HydrophobicContact CD1-CE2 3.28Å; Y333-Y382 AromaticContact CD1-CZ 3.72Å; Y333-Y382 HydrophobicContact CE1-CE2 4.08Å; Y333-Y382 HydrophobicContact CG-CE2 4.04Å; F334-Y382 WeakPolarHBondContact O-CD1 3.33Å; N335-Y382 HydrophobicContact CB-CD1 3.91Å; N335-Y382 HydrophobicContact CB-CE1 3.98Å; I378-Y382 HydrophobicContact CG2-CD2 3.87Å; I378-Y382 HydrophobicContact CG2-CE2 3.2Å; I378-Y382 WeakPolarHBondContact O-CD2 3.41Å; I378-Y382 PolarHBondContact O-N 3.38Å; I378-Y382 VanDerWaalsContact O-N 3.14Å; Y382-E384 PolarHBondContact O-N 2.81Å; Y382-A385 WeakPolarHBondContact O-CB 3.44Å; Y382-A385 PolarHBondContact O-N 2.94Å; Y382-A385 VanDerWaalsContact O-N 3.16Å; Y382-L386 PolarHBondContact O-N 3.26Å; Y382-M524 HydrophobicContact CE1-CB 3.93Å; Y382-M524 HydrophobicContact CE1-SD 4.08Å; Y382-M524 HydrophobicContact CE2-SD 4.48Å
383R94.1Very high88.7Confident8 Ų824.9 Ų24.93%0.0315%0.146CC..Hα-helixtrans-64.7-38176.5-175.4168.1162.5147.3-6.4112.5P363 P379 L380 A381 L386 I387 E407 L501 Q504 Y507P363-R383 HydrophobicContact CG-CB 4.36Å; P379-R383 PolarHBondContact O-N 3.25Å; P379-R383 VanDerWaalsContact O-N 3.13Å; L380-R383 PolarHBondContact O-N 2.93Å; A381-R383 VanDerWaalsContact C-N 3.33Å; A381-R383 PolarHBondContact O-N 2.89Å; R383-L386 WeakPolarHBondContact O-CB 3.19Å; R383-L386 PolarHBondContact O-N 2.69Å; R383-I387 WeakPolarHBondContact O-CG1 3.27Å; R383-I387 PolarHBondContact O-N 2.97Å; R383-E407 IonicContact CZ-OE1 3.51Å; R383-E407 IonicContact NE-OE1 3.32Å; R383-E407 IonicContact NH1-OE1 2.79Å; R383-E407 PolarHBondContact NH1-OE1 3.35Å; R383-E407 IonicContact NH1-OE2 3.54Å; R383-L501 HydrophobicContact CG-CD2 4.2Å; R383-Q504 VanDerWaalsContact NH2-CB 3.3Å; R383-Y507 WeakPolarHBondContact CD-O 3.21Å
384E94.5Very high89.2Confident7 Ų729.7 Ų29.73%0.03315%0.147CC..Hα-helixtrans-66.5-35.5171.5-67.8-63.1154.500112.6L380 A381 Y382 L386 I387 Q388 R508 L509 R514 L517L380-E384 WeakPolarHBondContact O-CG 3.43Å; L380-E384 PolarHBondContact O-N 2.93Å; A381-E384 PolarHBondContact O-N 3.35Å; Y382-E384 PolarHBondContact O-N 2.81Å; E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 3.07Å; E384-I387 PolarHBondContact O-N 2.85Å; E384-Q388 WeakPolarHBondContact O-CG 3.34Å; E384-Q388 PolarHBondContact O-N 3.06Å; E384-R508 WeakPolarHBondContact OE1-CA 3.43Å; E384-R508 IonicContact OE1-CZ 2.68Å; E384-R508 IonicContact OE1-NE 3.34Å; E384-R508 PolarHBondContact OE1-NE 3.39Å; E384-R508 IonicContact OE1-NH2 3.47Å; E384-R508 IonicContact OE2-CZ 2.78Å; E384-R508 IonicContact OE2-NE 2.67Å; E384-R508 PolarHBondContact OE2-NE 3.29Å; E384-R508 IonicContact OE2-NH2 3.73Å; E384-R508 PolarHBondContact OE2-NH2 3.47Å; E384-L509 HydrophobicContact CG-CB 3.34Å; E384-L509 HydrophobicContact CG-CD2 4.26Å; E384-L509 HydrophobicContact CG-CG 4.45Å; E384-L509 PolarHBondContact OE1-N 3.21Å; E384-R514 IonicContact OE1-CZ 3.61Å; E384-R514 IonicContact OE1-NE 3.39Å; E384-R514 IonicContact OE1-NH2 3.48Å; E384-R514 IonicContact OE2-NE 3.91Å; E384-L517 HydrophobicContact CB-CD1 4.35Å; E384-L517 HydrophobicContact CB-CD2 3.58Å; E384-L517 HydrophobicContact CG-CD2 4.46Å
385A93.8Very high89.8Confident3 Ų332.4 Ų32.43%0.02516%0.16CC..Hα-helixtrans-62-39.6174.600000111.3A381 Y382 Q388 L389 R521A381-A385 PolarHBondContact O-N 2.88Å; Y382-A385 WeakPolarHBondContact O-CB 3.44Å; Y382-A385 PolarHBondContact O-N 2.94Å; Y382-A385 VanDerWaalsContact O-N 3.16Å; A385-Q388 PolarHBondContact O-N 2.69Å; A385-L389 PolarHBondContact O-N 3.4Å; A385-L389 VanDerWaalsContact O-N 3.11Å; A385-R521 HydrophobicContact CB-CG 4.5Å
386L94.9Very high90.2Very high3 Ų334.3 Ų34.32%0.01617%0.171CC..Hα-helixtrans-61.9-45.1170.8178.462.7000111.8F334 C360 Y382 R383 E384 Q388 L389 L390 I405 I496 L501F334-L386 HydrophobicContact CD1-CB 3.97Å; F334-L386 HydrophobicContact CD1-CD1 4.11Å; F334-L386 HydrophobicContact CE1-CB 4.23Å; F334-L386 HydrophobicContact CE1-CD1 3.73Å; F334-L386 HydrophobicContact CZ-CD1 4.11Å; C360-L386 HydrophobicContact CB-CD2 4.4Å; Y382-L386 PolarHBondContact O-N 3.26Å; R383-L386 WeakPolarHBondContact O-CB 3.19Å; R383-L386 PolarHBondContact O-N 2.69Å; E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 3.07Å; L386-Q388 VanDerWaalsContact C-N 3.34Å; L386-Q388 PolarHBondContact O-N 3.22Å; L386-L389 WeakPolarHBondContact O-CB 3.16Å; L386-L389 PolarHBondContact O-N 2.89Å; L386-L390 HydrophobicContact CD1-CD1 4.26Å; L386-L390 HydrophobicContact CD1-CG 4.21Å; L386-L390 HydrophobicContact CG-CD1 4.21Å; L386-L390 WeakPolarHBondContact O-CG 3.24Å; L386-L390 PolarHBondContact O-N 2.77Å; L386-I405 HydrophobicContact CD1-CG2 4.18Å; L386-I405 HydrophobicContact CD2-CG2 4.12Å; L386-I496 HydrophobicContact CD2-CD1 3.93Å; L386-L501 HydrophobicContact CD2-CD1 4.02Å; L386-L501 HydrophobicContact CG-CD1 4.17Å
387I94.7Very high89.8Confident1 Ų142.9 Ų42.91%0.00520%0.203CC..Hα-helixtrans-57.9-46.3176.4-69169.3000110.9R383 E384 L389 L390 Q391 L498 L501 I502R383-I387 WeakPolarHBondContact O-CG1 3.27Å; R383-I387 PolarHBondContact O-N 2.97Å; E384-I387 PolarHBondContact O-N 2.85Å; I387-L389 VanDerWaalsContact C-N 3.31Å; I387-L389 PolarHBondContact O-N 2.86Å; I387-L390 PolarHBondContact O-N 2.97Å; I387-Q391 HydrophobicContact CG2-CG 4.25Å; I387-Q391 WeakPolarHBondContact O-CB 3.26Å; I387-Q391 VanDerWaalsContact O-CG 3.3Å; I387-Q391 WeakPolarHBondContact O-CG 3.29Å; I387-Q391 PolarHBondContact O-N 3.2Å; I387-L498 HydrophobicContact CG2-CD1 4.06Å; I387-L501 HydrophobicContact CD1-CB 4.08Å; I387-L501 HydrophobicContact CG1-CB 3.82Å; I387-L501 HydrophobicContact CG1-CD1 3.98Å; I387-L501 HydrophobicContact CG1-CG 4.47Å; I387-I502 HydrophobicContact CG2-CG1 4.37Å
388Q93.4Very high89.1Confident71 Ų7139.8 Ų39.833%0.33219%0.192SC..Hα-helixtrans-60.1-40.7178.3-74.2-173.9-14.200112.3E384 A385 L386 Q391 L392E384-Q388 WeakPolarHBondContact O-CG 3.34Å; E384-Q388 PolarHBondContact O-N 3.06Å; A385-Q388 PolarHBondContact O-N 2.69Å; L386-Q388 VanDerWaalsContact C-N 3.34Å; L386-Q388 PolarHBondContact O-N 3.22Å; Q388-Q391 PolarHBondContact O-N 2.95Å; Q388-L392 WeakPolarHBondContact O-CB 3.07Å; Q388-L392 PolarHBondContact O-N 3.03Å
389L93.2Very high88.3Confident2 Ų242.9 Ų42.91%0.0121%0.208CC..Hα-helixtrans-62.5-46.6175.5178.864.1000111.7F334 L336 E341 L358 A385 L386 I387 Q391 L392 F393F334-L389 HydrophobicContact CE1-CD2 3.68Å; F334-L389 HydrophobicContact CZ-CD2 3.47Å; F334-L389 VanDerWaalsContact CZ-CD2 3.47Å; L336-L389 HydrophobicContact CD1-CD2 4.01Å; E341-L389 HydrophobicContact CB-CD1 4.26Å; E341-L389 HydrophobicContact CG-CD1 3.98Å; L358-L389 HydrophobicContact CD1-CD2 4.1Å; A385-L389 PolarHBondContact O-N 3.4Å; A385-L389 VanDerWaalsContact O-N 3.11Å; L386-L389 WeakPolarHBondContact O-CB 3.16Å; L386-L389 PolarHBondContact O-N 2.89Å; I387-L389 VanDerWaalsContact C-N 3.31Å; I387-L389 PolarHBondContact O-N 2.86Å; L389-Q391 VanDerWaalsContact C-N 3.35Å; L389-Q391 PolarHBondContact O-N 2.87Å; L389-L392 WeakPolarHBondContact O-CB 3.12Å; L389-L392 PolarHBondContact O-N 3.15Å; L389-F393 HydrophobicContact CD1-CD1 4.27Å; L389-F393 HydrophobicContact CD1-CE1 3.55Å; L389-F393 HydrophobicContact CD1-CE2 4.11Å; L389-F393 HydrophobicContact CD1-CZ 3.46Å; L389-F393 VanDerWaalsContact CD1-CZ 3.46Å; L389-F393 HydrophobicContact CD2-CE2 4.11Å; L389-F393 HydrophobicContact CD2-CZ 4.04Å; L389-F393 HydrophobicContact CG-CD2 4.38Å; L389-F393 HydrophobicContact CG-CE1 4.15Å; L389-F393 HydrophobicContact CG-CE2 3.81Å; L389-F393 HydrophobicContact CG-CZ 3.69Å; L389-F393 WeakPolarHBondContact O-CG 3.43Å; L389-F393 PolarHBondContact O-N 2.81Å
390L92.5Very high87.4Confident15 Ų1546.5 Ų46.58%0.07923%0.225CC..Hα-helixtrans-69-34.6-179.1-64-179.5000112.3L386 I387 L392 F393 Y394 I405 L498 L501L386-L390 HydrophobicContact CD1-CD1 4.26Å; L386-L390 HydrophobicContact CD1-CG 4.21Å; L386-L390 HydrophobicContact CG-CD1 4.21Å; L386-L390 WeakPolarHBondContact O-CG 3.24Å; L386-L390 PolarHBondContact O-N 2.77Å; I387-L390 PolarHBondContact O-N 2.97Å; L390-L392 VanDerWaalsContact C-N 3.33Å; L390-F393 HydrophobicContact CD2-CD2 4.02Å; L390-F393 HydrophobicContact CD2-CE2 4.45Å; L390-F393 PolarHBondContact O-N 3.48Å; L390-Y394 WeakPolarHBondContact O-CB 3.17Å; L390-Y394 PolarHBondContact O-N 3.21Å; L390-I405 HydrophobicContact CD1-CG1 4.23Å; L390-I405 HydrophobicContact CD2-CD1 3.66Å; L390-I405 HydrophobicContact CD2-CG1 3.7Å; L390-L498 HydrophobicContact CB-CB 4.35Å; L390-L498 HydrophobicContact CB-CD1 3.98Å; L390-L498 HydrophobicContact CB-CD2 4.48Å; L390-L498 HydrophobicContact CB-CG 4.5Å; L390-L501 HydrophobicContact CD1-CD1 3.65Å
391Q92.8Very high86.7Confident85 Ų8549.5 Ų49.540%0.39725%0.248SC..Hα-helixtrans-62.3-41.6170-74177.4-34.900111.4I387 Q388 L389 F393 Y394 T395 L498I387-Q391 HydrophobicContact CG2-CG 4.25Å; I387-Q391 WeakPolarHBondContact O-CB 3.26Å; I387-Q391 VanDerWaalsContact O-CG 3.3Å; I387-Q391 WeakPolarHBondContact O-CG 3.29Å; I387-Q391 PolarHBondContact O-N 3.2Å; Q388-Q391 PolarHBondContact O-N 2.95Å; L389-Q391 VanDerWaalsContact C-N 3.35Å; L389-Q391 PolarHBondContact O-N 2.87Å; Q391-F393 VanDerWaalsContact C-N 3.35Å; Q391-Y394 PolarHBondContact O-N 3Å; Q391-T395 WeakPolarHBondContact O-CG2 3.17Å; Q391-T395 PolarHBondContact O-N 2.88Å; Q391-T395 PolarHBondContact O-OG1 3.06Å; Q391-T395 VanDerWaalsContact O-OG1 3.09Å; Q391-L498 HydrophobicContact CG-CD1 3.98Å; Q391-L498 HydrophobicContact CG-CD2 4.09Å
392L90.6Very high86.5Confident39 Ų3950.6 Ų50.620%0.20425%0.253CS..Hα-helixtrans-62.3-41.1175176.964.4000111.8E341 L345 Q388 L389 L390 T395 T396E341-L392 HydrophobicContact CB-CD2 4.33Å; L345-L392 HydrophobicContact CD1-CD1 4.36Å; L345-L392 HydrophobicContact CD1-CD2 3.92Å; L345-L392 HydrophobicContact CD1-CG 4.13Å; L345-L392 HydrophobicContact CD2-CG 4.33Å; L345-L392 HydrophobicContact CG-CD2 4.49Å; Q388-L392 WeakPolarHBondContact O-CB 3.07Å; Q388-L392 PolarHBondContact O-N 3.03Å; L389-L392 WeakPolarHBondContact O-CB 3.12Å; L389-L392 PolarHBondContact O-N 3.15Å; L390-L392 VanDerWaalsContact C-N 3.33Å; L392-T395 PolarHBondContact O-OG1 3.44Å; L392-T396 HydrophobicContact CD1-CG2 4.36Å; L392-T396 WeakPolarHBondContact O-CG2 3.43Å; L392-T396 PolarHBondContact O-N 3.32Å; L392-T396 PolarHBondContact O-OG1 2.99Å
393F89.1Confident86.4Confident3 Ų350.9 Ų50.91%0.01326%0.255CS..Hα-helixtrans-63-45.1173.6-65.4-16.1000111.4F344 L345 L348 L389 L390 Q391 T396 L398 H400 I403F344-F393 HydrophobicContact CB-CE1 4.16Å; F344-F393 HydrophobicContact CB-CZ 3.88Å; L345-F393 HydrophobicContact CD2-CD1 3.63Å; L345-F393 HydrophobicContact CD2-CE1 3.9Å; L345-F393 HydrophobicContact CG-CD1 4.48Å; L345-F393 HydrophobicContact CG-CE1 4.3Å; L348-F393 HydrophobicContact CD1-CD1 4.16Å; L348-F393 HydrophobicContact CD1-CD2 4.36Å; L348-F393 HydrophobicContact CD1-CE1 3.92Å; L348-F393 HydrophobicContact CD1-CE2 4.13Å; L348-F393 HydrophobicContact CD1-CG 4.37Å; L348-F393 HydrophobicContact CD1-CZ 3.9Å; L389-F393 HydrophobicContact CD1-CD1 4.27Å; L389-F393 HydrophobicContact CD1-CE1 3.55Å; L389-F393 HydrophobicContact CD1-CE2 4.11Å; L389-F393 HydrophobicContact CD1-CZ 3.46Å; L389-F393 VanDerWaalsContact CD1-CZ 3.46Å; L389-F393 HydrophobicContact CD2-CE2 4.11Å; L389-F393 HydrophobicContact CD2-CZ 4.04Å; L389-F393 HydrophobicContact CG-CD2 4.38Å; L389-F393 HydrophobicContact CG-CE1 4.15Å; L389-F393 HydrophobicContact CG-CE2 3.81Å; L389-F393 HydrophobicContact CG-CZ 3.69Å; L389-F393 WeakPolarHBondContact O-CG 3.43Å; L389-F393 PolarHBondContact O-N 2.81Å; L390-F393 HydrophobicContact CD2-CD2 4.02Å; L390-F393 HydrophobicContact CD2-CE2 4.45Å; L390-F393 PolarHBondContact O-N 3.48Å; Q391-F393 VanDerWaalsContact C-N 3.35Å; F393-T396 PolarHBondContact O-N 2.82Å; F393-T396 PolarHBondContact O-OG1 2.86Å; F393-L398 HydrophobicContact CB-CD1 4.14Å; F393-L398 HydrophobicContact CD1-CD1 3.98Å; F393-L398 HydrophobicContact CG-CD1 4.29Å; F393-H400 PolarHBondContact O-CE1 3.38Å; F393-H400 VanDerWaalsContact O-CE1 3.27Å; F393-I403 HydrophobicContact CB-CD1 4.2Å; F393-I403 HydrophobicContact CD2-CD1 3.62Å; F393-I403 HydrophobicContact CD2-CG2 4.33Å; F393-I403 HydrophobicContact CE2-CD1 4.16Å; F393-I403 HydrophobicContact CE2-CG2 4.39Å; F393-I403 HydrophobicContact CG-CD1 4.04Å
394Y86.1Confident86.4Confident159 Ų15953 Ų5362%0.62427%0.267SS*.Hα-helixtrans-61.2-46.1179.2-170.7-97.3000113.1L390 Q391 T396 K397L390-Y394 WeakPolarHBondContact O-CB 3.17Å; L390-Y394 PolarHBondContact O-N 3.21Å; Q391-Y394 PolarHBondContact O-N 3Å; Y394-T396 VanDerWaalsContact C-N 3.27Å; Y394-T396 PolarHBondContact O-N 3.22Å; Y394-K397 PolarHBondContact O-N 3.05Å
395T87Confident86.5Confident101 Ų10153.2 Ų53.262%0.6227%0.268SS*.Hα-helixtrans-70-23.7-178.1540000113.4Q391 L392 K397Q391-T395 WeakPolarHBondContact O-CG2 3.17Å; Q391-T395 PolarHBondContact O-N 2.88Å; Q391-T395 PolarHBondContact O-OG1 3.06Å; Q391-T395 VanDerWaalsContact O-OG1 3.09Å; L392-T395 PolarHBondContact O-OG1 3.44Å; T395-K397 VanDerWaalsContact C-N 3.27Å; T395-K397 PolarHBondContact O-N 2.79Å
396T83.8Confident86.6Confident54 Ų5455.7 Ų55.733%0.33128%0.277SS..THydrogen-bonded Turntrans-82.92.9178.345.90000113.9L345 L392 F393 Y394 L398L345-T396 HydrophobicContact CD2-CG2 4.26Å; L392-T396 HydrophobicContact CD1-CG2 4.36Å; L392-T396 WeakPolarHBondContact O-CG2 3.43Å; L392-T396 PolarHBondContact O-N 3.32Å; L392-T396 PolarHBondContact O-OG1 2.99Å; F393-T396 PolarHBondContact O-N 2.82Å; F393-T396 PolarHBondContact O-OG1 2.86Å; Y394-T396 VanDerWaalsContact C-N 3.27Å; Y394-T396 PolarHBondContact O-N 3.22Å; T396-L398 PolarHBondContact O-N 3.1Å; T396-L398 WeakPolarHBondContact OG1-CD1 3.47Å; T396-L398 VanDerWaalsContact OG1-CG 3.32Å; T396-L398 WeakPolarHBondContact OG1-CG 3.45Å
397K71.9Confident86.7Confident197 Ų19755.9 Ų55.986%0.85728%0.279SS*.THydrogen-bonded Turntrans52.538.6178.6-61.7-175.1178.5-178.90113.7Y394 T395Y394-K397 PolarHBondContact O-N 3.05Å; T395-K397 VanDerWaalsContact C-N 3.27Å; T395-K397 PolarHBondContact O-N 2.79Å
398L70.7Confident86.8Confident10 Ų1056.1 Ų56.15%0.05228%0.279CS..  trans-70.2164.4179.9-59.6174.1000111.9L345 L348 N349 F393 T396 H400L345-L398 HydrophobicContact CD2-CD1 3.67Å; L348-L398 HydrophobicContact CB-CD1 3.94Å; L348-L398 HydrophobicContact CB-CD2 4.39Å; L348-L398 HydrophobicContact CD1-CD1 3.92Å; N349-L398 HydrophobicContact CB-CD2 4.47Å; N349-L398 WeakPolarHBondContact ND2-CD2 3.49Å; N349-L398 WeakPolarHBondContact OD1-CD2 3.18Å; F393-L398 HydrophobicContact CB-CD1 4.14Å; F393-L398 HydrophobicContact CD1-CD1 3.98Å; F393-L398 HydrophobicContact CG-CD1 4.29Å; T396-L398 PolarHBondContact O-N 3.1Å; T396-L398 WeakPolarHBondContact OG1-CD1 3.47Å; T396-L398 VanDerWaalsContact OG1-CG 3.32Å; T396-L398 WeakPolarHBondContact OG1-CG 3.45Å; L398-H400 VanDerWaalsContact C-N 3.28Å; L398-H400 PolarHBondContact O-CD2 3.3Å; L398-H400 VanDerWaalsContact O-CD2 3.24Å; L398-H400 PolarHBondContact O-N 3.43Å; L398-H400 PolarHBondContact O-NE2 3.27Å
399N68.6Low86.8Confident94 Ų9454.9 Ų54.950%0.50327%0.274SS..  trans-67.887.9167.8-172.43.4000110.5S401 N402N399-S401 PolarHBondContact O-N 2.74Å; N399-S401 PolarHBondContact OD1-N 3.27Å; N399-S401 PolarHBondContact OD1-OG 3.05Å; N399-N402 PolarHBondContact O-N 3.17Å
400H68.5Low86.8Confident81 Ų8159 Ų5938%0.37529%0.29SS..G310 helixtrans-62.6-21.5-177.4-63.3-55.5000114.1F393 L398 N402 I403F393-H400 PolarHBondContact O-CE1 3.38Å; F393-H400 VanDerWaalsContact O-CE1 3.27Å; L398-H400 VanDerWaalsContact C-N 3.28Å; L398-H400 PolarHBondContact O-CD2 3.3Å; L398-H400 VanDerWaalsContact O-CD2 3.24Å; L398-H400 PolarHBondContact O-N 3.43Å; L398-H400 PolarHBondContact O-NE2 3.27Å; H400-N402 PolarHBondContact O-N 2.97Å; H400-N402 VanDerWaalsContact O-N 3.08Å; H400-I403 PolarHBondContact O-N 3.16Å; H400-I403 VanDerWaalsContact O-N 3.17Å
401S76.8Confident86.6Confident84 Ų8463.5 Ų63.559%0.58732%0.32SS*.G310 helixtrans-62.2-17.9-179.566.40000113.2N399N399-S401 PolarHBondContact O-N 2.74Å; N399-S401 PolarHBondContact OD1-N 3.27Å; N399-S401 PolarHBondContact OD1-OG 3.05Å
402N86.7Confident86.5Confident26 Ų2666.4 Ų66.414%0.13934%0.338CS..G310 helixtrans-98.17.6-178.4-79.9-8.4000114.3N353 I354 V356 N399 H400N353-N402 PolarHBondContact OD1-ND2 2.83Å; I354-N402 WeakPolarHBondContact O-CB 3.48Å; I354-N402 PolarHBondContact O-ND2 2.89Å; V356-N402 PolarHBondContact N-O 2.97Å; N399-N402 PolarHBondContact O-N 3.17Å; H400-N402 PolarHBondContact O-N 2.97Å; H400-N402 VanDerWaalsContact O-N 3.08Å
403I91.1Very high86.6Confident25 Ų2566.4 Ų66.413%0.12834%0.336CS..EExtended strand (participates in β ladder)trans-118.8113.8-179.1-53.5171.4000110L348 V356 F393 H400 I405L348-I403 HydrophobicContact CD1-CD1 3.4Å; L348-I403 VanDerWaalsContact CD1-CD1 3.4Å; L348-I403 HydrophobicContact CD1-CG1 3.94Å; L348-I403 HydrophobicContact CD2-CD1 3.83Å; L348-I403 HydrophobicContact CD2-CG1 3.49Å; L348-I403 VanDerWaalsContact CD2-CG1 3.49Å; L348-I403 HydrophobicContact CG-CD1 4.22Å; L348-I403 HydrophobicContact CG-CG1 4.36Å; V356-I403 CarbonylContact O-C 3.6Å; V356-I403 WeakPolarHBondContact O-CA 3.29Å; F393-I403 HydrophobicContact CB-CD1 4.2Å; F393-I403 HydrophobicContact CD2-CD1 3.62Å; F393-I403 HydrophobicContact CD2-CG2 4.33Å; F393-I403 HydrophobicContact CE2-CD1 4.16Å; F393-I403 HydrophobicContact CE2-CG2 4.39Å; F393-I403 HydrophobicContact CG-CD1 4.04Å; H400-I403 PolarHBondContact O-N 3.16Å; H400-I403 VanDerWaalsContact O-N 3.17Å; I403-I405 HydrophobicContact CG2-CD1 3.66Å; I403-I405 HydrophobicContact CG2-CG1 4.21Å
404N94.2Very high86.7Confident53 Ų5367.5 Ų67.528%0.28334%0.342SS..EExtended strand (participates in β ladder)trans-112.3131.3175.6-60.2-48.1000110.2N355 V356 N357 L358 Y406N355-N404 PolarHBondContact OD1-ND2 3.05Å; V356-N404 PolarHBondContact O-N 3.25Å; N357-N404 CarbonylContact C-O 3.51Å; N357-N404 VanDerWaalsContact CA-O 3.3Å; N357-N404 WeakPolarHBondContact CA-O 3.3Å; N357-N404 WeakPolarHBondContact OD1-CB 3.46Å; N357-N404 PolarHBondContact OD1-ND2 2.85Å; L358-N404 PolarHBondContact N-O 3.2Å; N404-Y406 HydrophobicContact CB-CE2 3.59Å
405I95.6Very high87.1Confident11 Ų1160 Ų606%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-123.1135.3-178-46.4-65.6000109.2L358 L386 L390 I403 P495 I496L358-I405 HydrophobicContact CB-CD1 3.69Å; L358-I405 HydrophobicContact CD1-CD1 3.6Å; L358-I405 HydrophobicContact CG-CD1 3.71Å; L358-I405 CarbonylContact O-C 3.6Å; L358-I405 WeakPolarHBondContact O-CA 3.4Å; L386-I405 HydrophobicContact CD1-CG2 4.18Å; L386-I405 HydrophobicContact CD2-CG2 4.12Å; L390-I405 HydrophobicContact CD1-CG1 4.23Å; L390-I405 HydrophobicContact CD2-CD1 3.66Å; L390-I405 HydrophobicContact CD2-CG1 3.7Å; I403-I405 HydrophobicContact CG2-CD1 3.66Å; I403-I405 HydrophobicContact CG2-CG1 4.21Å; I405-P495 WeakPolarHBondContact O-CA 3.38Å; I405-I496 HydrophobicContact CB-CD1 4.45Å; I405-I496 HydrophobicContact CB-CG1 4.01Å; I405-I496 HydrophobicContact CG2-CD1 3.6Å; I405-I496 HydrophobicContact CG2-CG1 3.66Å; I405-I496 WeakPolarHBondContact O-CG1 3.46Å; I405-I496 PolarHBondContact O-N 2.79Å
406Y97Very high87.5Confident55 Ų5555.4 Ų55.422%0.21628%0.284CS..EExtended strand (participates in β ladder)trans-130.5140.3-177.7-55.9-88.9000111.2N357 L358 C360 N404 F488 Y494 P495N357-Y406 HydrophobicContact CB-CE2 4.4Å; L358-Y406 PolarHBondContact O-N 2.75Å; C360-Y406 PolarHBondContact N-O 3.04Å; N404-Y406 HydrophobicContact CB-CE2 3.59Å; Y406-F488 HydrophobicContact CD2-CD1 4.04Å; Y406-F488 HydrophobicContact CD2-CE1 4.12Å; Y406-F488 HydrophobicContact CE2-CD1 4.33Å; Y406-Y494 VanDerWaalsContact CA-O 3.29Å; Y406-Y494 WeakPolarHBondContact CA-O 3.36Å; Y406-P495 HydrophobicContact CD1-CB 4.19Å; Y406-P495 HydrophobicContact CE1-CB 4.06Å
407E96.4Very high88Confident8 Ų852.8 Ų52.84%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-102.4129.5164.4-93-171.9-175.600109.6C360 S362 R383 C493 Y494 I496C360-E407 CarbonylContact O-C 3.52Å; C360-E407 WeakPolarHBondContact O-CA 3.44Å; S362-E407 VanDerWaalsContact CB-OE2 3.32Å; S362-E407 WeakPolarHBondContact CB-OE2 3.42Å; S362-E407 PolarHBondContact OG-OE2 3.22Å; R383-E407 IonicContact CZ-OE1 3.51Å; R383-E407 IonicContact NE-OE1 3.32Å; R383-E407 IonicContact NH1-OE1 2.79Å; R383-E407 PolarHBondContact NH1-OE1 3.35Å; R383-E407 IonicContact NH1-OE2 3.54Å; E407-C493 WeakPolarHBondContact O-CA 3.22Å; E407-Y494 PolarHBondContact N-O 3.5Å; E407-Y494 PolarHBondContact O-N 3.13Å; E407-I496 HydrophobicContact CB-CD1 4.49Å; E407-I496 HydrophobicContact CB-CG2 4.21Å; E407-I496 HydrophobicContact CG-CD1 3.78Å; E407-I496 HydrophobicContact CG-CG1 4.48Å; E407-I496 HydrophobicContact CG-CG2 4.36Å
408Y96.7Very high89.1Confident5 Ų543.5 Ų43.52%0.0223%0.228CC..EExtended strand (participates in β ladder)trans-76.6124.1168.7-175.4-82.3000110.1C360 S362 A365 R410 W413 F415 C492C360-Y408 PolarHBondContact O-N 3.44Å; S362-Y408 WeakPolarHBondContact CB-O 3.42Å; S362-Y408 PolarHBondContact N-O 3.03Å; S362-Y408 VanDerWaalsContact N-O 3.09Å; A365-Y408 HydrophobicContact CB-CD1 3.86Å; A365-Y408 VanDerWaalsContact CB-O 3.27Å; A365-Y408 WeakPolarHBondContact CB-O 3.26Å; Y408-R410 HydrophobicContact CE1-CB 3.73Å; Y408-R410 WeakPolarHBondContact OH-CD 3.33Å; Y408-W413 HydrophobicContact CE1-CB 4.45Å; Y408-F415 HydrophobicContact CD1-CB 3.55Å; Y408-F415 AromaticContact CD1-CD2 3.86Å; Y408-F415 HydrophobicContact CD1-CD2 3.86Å; Y408-F415 AromaticContact CD1-CG 3.99Å; Y408-F415 HydrophobicContact CD1-CG 3.99Å; Y408-F415 AromaticContact CD2-CD2 3.4Å; Y408-F415 HydrophobicContact CD2-CD2 3.4Å; Y408-F415 VanDerWaalsContact CD2-CD2 3.4Å; Y408-F415 AromaticContact CD2-CE2 3.75Å; Y408-F415 HydrophobicContact CD2-CE2 3.75Å; Y408-F415 HydrophobicContact CD2-CG 4.22Å; Y408-F415 HydrophobicContact CE1-CB 4.12Å; Y408-F415 HydrophobicContact CE1-CD2 4.25Å; Y408-F415 AromaticContact CE2-CD2 3.85Å; Y408-F415 HydrophobicContact CE2-CD2 3.85Å; Y408-F415 HydrophobicContact CE2-CE2 4.29Å; Y408-F415 HydrophobicContact CG-CB 3.83Å; Y408-F415 AromaticContact CG-CD2 3.39Å; Y408-F415 HydrophobicContact CG-CD2 3.39Å; Y408-F415 HydrophobicContact CG-CE2 4.08Å; Y408-F415 AromaticContact CG-CG 3.73Å; Y408-F415 HydrophobicContact CG-CG 3.73Å; Y408-C492 CarbonylContact C-O 3.59Å; Y408-C492 WeakPolarHBondContact CA-O 3.37Å; Y408-C492 HydrophobicContact CD2-CB 4Å; Y408-C492 HydrophobicContact CE2-CB 3.59Å
409I93.6Very high90.4Very high45 Ų4543.1 Ų43.123%0.23123%0.226CC..  trans-139.5118.1174-55.9171.2000107.9C492 Y494I409-C492 CarbonylContact C-O 3.56Å; I409-C492 PolarHBondContact N-O 3.4Å; I409-C492 WeakPolarHBondContact O-CA 3.44Å; I409-C492 VanDerWaalsContact O-O 3.07Å; I409-Y494 HydrophobicContact CB-CD2 3.91Å; I409-Y494 HydrophobicContact CB-CE2 3.85Å; I409-Y494 HydrophobicContact CD1-CD2 4.04Å; I409-Y494 HydrophobicContact CG1-CD2 4.22Å
410R92.8Very high91.7Very high90 Ų9038.7 Ų38.734%0.3420%0.203SC..  trans-139.8128.2169.1178.3-179.9-178.1-171.70.6108Y408 D412 W413 C492Y408-R410 HydrophobicContact CE1-CB 3.73Å; Y408-R410 WeakPolarHBondContact OH-CD 3.33Å; R410-D412 PolarHBondContact O-N 2.75Å; R410-W413 HydrophobicContact CB-CB 3.89Å; R410-W413 HydrophobicContact CB-CG 4.34Å; R410-W413 HydrophobicContact CG-CB 3.93Å; R410-W413 HydrophobicContact CG-CG 3.84Å; R410-W413 VanDerWaalsContact NH1-CE2 3.26Å; R410-W413 VanDerWaalsContact NH1-CZ2 3.26Å; R410-W413 PolarHBondContact O-N 3.27Å; R410-W413 VanDerWaalsContact O-N 3.13Å; R410-C492 HydrophobicContact CB-CB 4.38Å
411P89.5Confident93.1Very high108 Ų10835 Ų3570%0.70119%0.185SC*.THydrogen-bonded Turntrans-52135.6179.9-26.934.6000111.3W413P411-W413 PolarHBondContact O-N 3.4Å
412D89.3Confident93.9Very high147 Ų14731 Ų3179%0.78616%0.158SC*.THydrogen-bonded Turntrans59.910.8179.6-51.5-49.9000116.3N184 R410N184-D412 PolarHBondContact ND2-O 2.82Å; R410-D412 PolarHBondContact O-N 2.75Å
413W92.9Very high94Very high39 Ų3930.6 Ų30.615%0.14816%0.155CC..  trans-113.4150.2177.8-77.561.3000111.5P27 N184 Q186 Y408 R410 P411P27-W413 HydrophobicContact CG-CH2 4.13Å; P27-W413 HydrophobicContact CG-CZ3 3.86Å; N184-W413 HydrophobicContact CB-CD2 4.2Å; N184-W413 HydrophobicContact CB-CG 4.33Å; N184-W413 VanDerWaalsContact O-CA 3.27Å; N184-W413 WeakPolarHBondContact O-CA 3.42Å; Q186-W413 HydrophobicContact CB-CE3 4.36Å; Y408-W413 HydrophobicContact CE1-CB 4.45Å; R410-W413 HydrophobicContact CB-CB 3.89Å; R410-W413 HydrophobicContact CB-CG 4.34Å; R410-W413 HydrophobicContact CG-CB 3.93Å; R410-W413 HydrophobicContact CG-CG 3.84Å; R410-W413 VanDerWaalsContact NH1-CE2 3.26Å; R410-W413 VanDerWaalsContact NH1-CZ2 3.26Å; R410-W413 PolarHBondContact O-N 3.27Å; R410-W413 VanDerWaalsContact O-N 3.13Å; P411-W413 PolarHBondContact O-N 3.4Å
414T92.4Very high93.6Very high25 Ų2529.5 Ų29.515%0.15315%0.15CC..EExtended strand (participates in β ladder)trans-114.7153.317058.90000110.9N184 R185 Q186 A365N184-T414 PolarHBondContact O-N 2.89Å; R185-T414 CarbonylContact C-O 3.48Å; R185-T414 WeakPolarHBondContact CA-O 3.23Å; R185-T414 WeakPolarHBondContact CB-OG1 3.13Å; R185-T414 VanDerWaalsContact CG-OG1 3.27Å; R185-T414 WeakPolarHBondContact CG-OG1 3.35Å; Q186-T414 PolarHBondContact N-O 2.87Å; A365-T414 CarbonylContact O-C 3.45Å; A365-T414 WeakPolarHBondContact O-CA 3.15Å; A365-T414 WeakPolarHBondContact O-CB 3.27Å
415F94.1Very high92.8Very high3 Ų328.6 Ų28.61%0.01315%0.146CC..EExtended strand (participates in β ladder)trans-111.5128.5-178.3-172.3-103.7000111.2Q186 A330 L359 A361 A365 Y408 A417 L487Q186-F415 HydrophobicContact CB-CD2 4.27Å; Q186-F415 HydrophobicContact CG-CD2 4.41Å; A330-F415 HydrophobicContact CB-CZ 4.24Å; L359-F415 HydrophobicContact CD2-CE1 4.41Å; L359-F415 HydrophobicContact CD2-CE2 3.99Å; L359-F415 HydrophobicContact CD2-CZ 3.54Å; L359-F415 HydrophobicContact CG-CE1 4.18Å; L359-F415 HydrophobicContact CG-CZ 3.8Å; A361-F415 HydrophobicContact CB-CB 3.99Å; A361-F415 HydrophobicContact CB-CD1 3.98Å; A361-F415 HydrophobicContact CB-CG 4.47Å; A365-F415 HydrophobicContact CB-CB 4.3Å; A365-F415 PolarHBondContact O-N 3.19Å; Y408-F415 HydrophobicContact CD1-CB 3.55Å; Y408-F415 AromaticContact CD1-CD2 3.86Å; Y408-F415 HydrophobicContact CD1-CD2 3.86Å; Y408-F415 AromaticContact CD1-CG 3.99Å; Y408-F415 HydrophobicContact CD1-CG 3.99Å; Y408-F415 AromaticContact CD2-CD2 3.4Å; Y408-F415 HydrophobicContact CD2-CD2 3.4Å; Y408-F415 VanDerWaalsContact CD2-CD2 3.4Å; Y408-F415 AromaticContact CD2-CE2 3.75Å; Y408-F415 HydrophobicContact CD2-CE2 3.75Å; Y408-F415 HydrophobicContact CD2-CG 4.22Å; Y408-F415 HydrophobicContact CE1-CB 4.12Å; Y408-F415 HydrophobicContact CE1-CD2 4.25Å; Y408-F415 AromaticContact CE2-CD2 3.85Å; Y408-F415 HydrophobicContact CE2-CD2 3.85Å; Y408-F415 HydrophobicContact CE2-CE2 4.29Å; Y408-F415 HydrophobicContact CG-CB 3.83Å; Y408-F415 AromaticContact CG-CD2 3.39Å; Y408-F415 HydrophobicContact CG-CD2 3.39Å; Y408-F415 HydrophobicContact CG-CE2 4.08Å; Y408-F415 AromaticContact CG-CG 3.73Å; Y408-F415 HydrophobicContact CG-CG 3.73Å; F415-A417 HydrophobicContact CD2-CB 4.44Å; F415-A417 HydrophobicContact CE1-CB 4.4Å; F415-A417 WeakPolarHBondContact CE1-O 3.41Å; F415-A417 HydrophobicContact CE2-CB 3.72Å; F415-A417 HydrophobicContact CZ-CB 3.7Å; F415-L487 HydrophobicContact CE2-CD2 4.37Å
416H94Very high91.3Very high3 Ų329.9 Ų29.91%0.01416%0.158CC..  trans-140-2.8178.4-169.6-111.4000113.8G174 Y181 R185 Q186 D187 Y333 K418G174-H416 PolarHBondContact O-CE1 3.18Å; Y181-H416 HydrophobicContact CE1-CB 4.35Å; Y181-H416 AromaticContact CE1-ND1 3.5Å; Y181-H416 WeakPolarHBondContact CE1-ND1 3.44Å; Y181-H416 PolarHBondContact OH-CE1 3.3Å; R185-H416 HydrophobicContact CG-CB 3.94Å; R185-H416 PolarHBondContact NH2-CD2 2.78Å; Q186-H416 CarbonylContact O-C 3.53Å; Q186-H416 WeakPolarHBondContact O-CA 3.4Å; Q186-H416 PolarHBondContact O-N 2.86Å; D187-H416 IonicContact OD2-CE1 2.81Å; D187-H416 IonicContact OD2-CG 3.92Å; D187-H416 IonicContact OD2-ND1 3.92Å; D187-H416 PolarHBondContact OD2-ND1 2.88Å; Y333-H416 AromaticContact CE2-CD2 3.4Å; Y333-H416 WeakPolarHBondContact CE2-CD2 3.42Å; Y333-H416 AromaticContact CE2-NE2 3.45Å; Y333-H416 WeakPolarHBondContact CE2-NE2 3.37Å; H416-K418 PolarHBondContact CE1-NZ 2.79Å; H416-K418 VanDerWaalsContact CE1-NZ 3.28Å; H416-K418 PolarHBondContact O-N 3.42Å
417A95.9Very high89.3Confident0 Ų032 Ų320%017%0.174CC..  trans-55.1138174.900000111.1Q186 R188 G332 F415 L487Q186-A417 PolarHBondContact O-N 2.78Å; R188-A417 HydrophobicContact CG-CB 3.96Å; G332-A417 PolarHBondContact N-O 2.79Å; F415-A417 HydrophobicContact CD2-CB 4.44Å; F415-A417 HydrophobicContact CE1-CB 4.4Å; F415-A417 WeakPolarHBondContact CE1-O 3.41Å; F415-A417 HydrophobicContact CE2-CB 3.72Å; F415-A417 HydrophobicContact CZ-CB 3.7Å; A417-L487 HydrophobicContact CB-CD1 4.24Å; A417-L487 HydrophobicContact CB-CD2 3.92Å
418K95.3Very high87Confident1 Ų134.1 Ų34.10%0.00419%0.185CC..  trans-145.9151.5-179.158.4-154.9153.5178.10111.8G174 R188 A330 H416 G450 S451 S452G174-K418 VanDerWaalsContact CA-CE 3.47Å; R188-K418 VanDerWaalsContact CD-O 3.32Å; R188-K418 WeakPolarHBondContact CD-O 3.35Å; R188-K418 PolarHBondContact NH1-O 3.32Å; A330-K418 VanDerWaalsContact O-CA 3.24Å; A330-K418 WeakPolarHBondContact O-CA 3.47Å; H416-K418 PolarHBondContact CE1-NZ 2.79Å; H416-K418 VanDerWaalsContact CE1-NZ 3.28Å; H416-K418 PolarHBondContact O-N 3.42Å; K418-G450 VanDerWaalsContact CE-O 3.29Å; K418-G450 WeakPolarHBondContact CE-O 3.38Å; K418-S451 VanDerWaalsContact CD-O 3.32Å; K418-S451 WeakPolarHBondContact CD-O 3.34Å; K418-S451 VanDerWaalsContact CE-O 3.27Å; K418-S451 WeakPolarHBondContact CE-O 3.45Å; K418-S451 PolarHBondContact NZ-O 3.15Å; K418-S452 WeakPolarHBondContact CB-O 3.21Å; K418-S452 WeakPolarHBondContact CD-O 3.12Å; K418-S452 WeakPolarHBondContact CG-O 3.47Å
419G96.4Very high84.6Confident2 Ų238.8 Ų38.82%0.02122%0.218CC..EExtended strand (participates in β ladder)trans134.6-174.3176.600000111.9A330 L448A330-G419 PolarHBondContact N-O 2.91Å; A330-G419 PolarHBondContact O-N 3.31Å; A330-G419 VanDerWaalsContact O-N 3.08Å; G419-L448 WeakPolarHBondContact CA-O 3.44Å
420L97Very high82.1Confident1 Ų145.2 Ų45.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-131.9144.9-167.5-179.4127.2000109.5M292 L295 F296 L327 F328 L329 I422 L446 S447 L448 F454M292-L420 HydrophobicContact CE-CD1 4.26Å; L295-L420 HydrophobicContact CD2-CD2 4.17Å; F296-L420 HydrophobicContact CE2-CD1 4Å; F296-L420 HydrophobicContact CZ-CD1 4.06Å; L327-L420 HydrophobicContact CD1-CD1 4.08Å; L327-L420 HydrophobicContact CD2-CD1 4.19Å; L327-L420 HydrophobicContact CG-CD1 4.19Å; F328-L420 CarbonylContact O-C 3.5Å; F328-L420 VanDerWaalsContact O-CA 3.24Å; F328-L420 WeakPolarHBondContact O-CA 3.39Å; L329-L420 HydrophobicContact CD1-CB 4.36Å; L329-L420 HydrophobicContact CD1-CD1 4.25Å; L420-I422 HydrophobicContact CD2-CD1 3.71Å; L420-I422 HydrophobicContact CD2-CG1 3.73Å; L420-L446 HydrophobicContact CD2-CD2 3.84Å; L420-S447 CarbonylContact O-C 3.6Å; L420-S447 WeakPolarHBondContact O-CA 3.06Å; L420-S447 PolarHBondContact O-OG 3.46Å; L420-L448 HydrophobicContact CB-CB 4.29Å; L420-L448 HydrophobicContact CB-CD1 3.85Å; L420-L448 HydrophobicContact CB-CG 4.1Å; L420-L448 HydrophobicContact CD2-CD1 4.19Å; L420-L448 HydrophobicContact CD2-CG 4.34Å; L420-L448 PolarHBondContact O-N 3.25Å; L420-F454 HydrophobicContact CB-CZ 4.46Å
421W97Very high79.7Confident3 Ų344.6 Ų44.61%0.01125%0.251CS..EExtended strand (participates in β ladder)trans-128.1134.3169.3-56-106.8000108.8L327 F328 A330 L446 S447 E483 R484 L487 F488L327-W421 WeakPolarHBondContact CA-O 3.5Å; F328-W421 HydrophobicContact CB-CB 4.2Å; F328-W421 HydrophobicContact CB-CE3 3.85Å; F328-W421 HydrophobicContact CD2-CB 4.46Å; F328-W421 PolarHBondContact N-O 3.28Å; F328-W421 PolarHBondContact O-N 2.8Å; A330-W421 HydrophobicContact CB-CH2 4.07Å; A330-W421 HydrophobicContact CB-CZ3 3.84Å; W421-L446 CarbonylContact C-O 3.57Å; W421-L446 VanDerWaalsContact CA-O 3.29Å; W421-L446 WeakPolarHBondContact CA-O 3.37Å; W421-S447 VanDerWaalsContact CD1-OG 3.3Å; W421-S447 PolarHBondContact NE1-OG 3.45Å; W421-E483 PolarHBondContact NE1-OE2 3.38Å; W421-E483 VanDerWaalsContact NE1-OE2 3.12Å; W421-R484 HydrophobicContact CD2-CB 4.5Å; W421-R484 HydrophobicContact CD2-CG 4.48Å; W421-R484 HydrophobicContact CG-CB 4.41Å; W421-R484 HydrophobicContact CG-CG 4.49Å; W421-L487 HydrophobicContact CH2-CD1 3.58Å; W421-L487 HydrophobicContact CZ2-CD1 3.63Å; W421-F488 HydrophobicContact CE3-CE2 4.48Å; W421-F488 HydrophobicContact CZ3-CE2 4.09Å
422I94.4Very high77.7Confident2 Ų246.1 Ų46.11%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-120.6122169.5-63.8165.2000107.4L295 V299 F325 K326 L327 L420 L446L295-I422 HydrophobicContact CD1-CD1 3.92Å; L295-I422 HydrophobicContact CD2-CD1 3.97Å; L295-I422 HydrophobicContact CG-CD1 4Å; V299-I422 HydrophobicContact CG2-CD1 3.81Å; F325-I422 HydrophobicContact CD1-CG2 3.86Å; K326-I422 WeakPolarHBondContact O-CA 3.32Å; L327-I422 HydrophobicContact CD1-CG1 4.3Å; L327-I422 HydrophobicContact CG-CG1 4.4Å; L420-I422 HydrophobicContact CD2-CD1 3.71Å; L420-I422 HydrophobicContact CD2-CG1 3.73Å; I422-L446 HydrophobicContact CB-CB 4.31Å; I422-L446 HydrophobicContact CD1-CD2 4.25Å; I422-L446 PolarHBondContact N-O 3.28Å; I422-L446 PolarHBondContact O-N 2.76Å
423E89.6Confident75.5Confident17 Ų1747.8 Ų47.88%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-111.7124.5174-59.9173.2169.900108F325 K326 P442 R484F325-E423 WeakPolarHBondContact CA-O 3.4Å; K326-E423 HydrophobicContact CB-CB 4.35Å; K326-E423 PolarHBondContact N-O 3.49Å; K326-E423 PolarHBondContact O-N 2.93Å; E423-P442 HydrophobicContact CB-CB 4.34Å; E423-R484 WeakPolarHBondContact OE1-CD 3.5Å; E423-R484 IonicContact OE1-CZ 2.83Å; E423-R484 IonicContact OE1-NE 3.56Å; E423-R484 PolarHBondContact OE1-NE 2.93Å; E423-R484 IonicContact OE1-NH2 3.44Å; E423-R484 IonicContact OE2-NE 2.71Å
424S82.3Confident73.2Confident2 Ų251.6 Ų51.61%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-75.1129.6169.159.10000109.3P442 S443 Y444S424-P442 WeakPolarHBondContact O-CA 3.47Å; S424-P442 WeakPolarHBondContact O-CB 3.3Å; S424-S443 PolarHBondContact OG-N 3.12Å; S424-Y444 PolarHBondContact OG-N 2.72Å; S424-Y444 PolarHBondContact OG-O 3.21Å
425V75.9Confident70.6Confident33 Ų3356.5 Ų56.520%0.229%0.288CS..EExtended strand (participates in β ladder)trans-100.8116.7172.6177.40000106.8S324 K326S324-V425 PolarHBondContact N-O 3.42Å; S324-V425 PolarHBondContact O-N 3.35Å; S324-V425 VanDerWaalsContact OG-CB 3.23Å; S324-V425 WeakPolarHBondContact OG-CB 3.34Å; S324-V425 WeakPolarHBondContact OG-CG1 3.5Å; S324-V425 PolarHBondContact OG-O 2.6Å; K326-V425 HydrophobicContact CD-CG2 4.1Å; K326-V425 HydrophobicContact CG-CG2 3.86Å
426A65Low67.9Low39 Ų3962.6 Ų62.632%0.32233%0.326SS..PPolyproline II helixtrans-70.3136.5170.400000108.6D428A426-D428 PolarHBondContact O-N 2.76Å
427D55.5Low65.2Low100 Ų10064.8 Ų64.854%0.53535%0.345SS..  trans-69.285.6166.4-79.8-18.6000108S429D427-S429 PolarHBondContact O-N 3.49Å
428D47.8Very low62.8Low52 Ų5271.2 Ų71.228%0.27838%0.379SS..  trans-7249.4171.2-72.2-31.1000110.8A426 Q430 H440A426-D428 PolarHBondContact O-N 2.76Å; D428-Q430 PolarHBondContact O-N 2.89Å; D428-H440 IonicContact OD2-ND1 3.31Å
429S45.9Very low60.3Low103 Ų10377 Ų7772%0.7241%0.406SS*.SBendtrans-76.8-1.9175.758.20000113.3D427D427-S429 PolarHBondContact O-N 3.49Å
430Q40.9Very low58.2Low180 Ų18082 Ų8284%0.84143%0.429SS*.SBendtrans-122.9-7.5-179.5-64.9-161.9-13.300116.4D428D428-Q430 PolarHBondContact O-N 2.89Å
431D43.7Very low56.3Low77 Ų7787.2 Ų87.241%0.41245%0.453SS..  trans-119.386178-75.4-10.3000111.3E433 K434D431-E433 PolarHBondContact O-N 2.74Å; D431-K434 HydrophobicContact CB-CD 4.41Å; D431-K434 PolarHBondContact O-N 2.99Å; D431-K434 IonicContact OD2-NZ 3.55Å; D431-K434 PolarHBondContact OD2-NZ 3.47Å
432E45.6Very low54.8Low140 Ų14088.1 Ų88.165%0.65446%0.459SS*.G310 helixtrans-56-29.2172.5-75.6-94.2122.600112.5K434 K435E432-K434 VanDerWaalsContact C-N 3.27Å; E432-K434 PolarHBondContact O-N 3.33Å; E432-K435 PolarHBondContact O-N 2.85Å; E432-K435 IonicContact OE1-NZ 3.83Å; E432-K435 PolarHBondContact OE1-NZ 2.9Å
433E44.6Very low54.1Low181 Ų18190.8 Ų90.885%0.84648%0.478SS*.G310 helixtrans-68.6-17.6-179.5-80.4-170.3155.200114.5D431D431-E433 PolarHBondContact O-N 2.74Å
434K43.2Very low54Low119 Ų11991.1 Ų91.152%0.51748%0.478SS..G310 helixtrans-92.4-4.9177.4-73.6179.1-171.9137.50114.3D431 E432 T436D431-K434 HydrophobicContact CB-CD 4.41Å; D431-K434 PolarHBondContact O-N 2.99Å; D431-K434 IonicContact OD2-NZ 3.55Å; D431-K434 PolarHBondContact OD2-NZ 3.47Å; E432-K434 VanDerWaalsContact C-N 3.27Å; E432-K434 PolarHBondContact O-N 3.33Å; K434-T436 VanDerWaalsContact C-N 3.32Å; K434-T436 PolarHBondContact O-N 3.3Å
435K38.6Very low54.5Low128 Ų12891.2 Ų91.256%0.55748%0.479SS*.THydrogen-bonded Turntrans-75.5-14-179.3-72.1-179.5-178.7168.90114.3E432E432-K435 PolarHBondContact O-N 2.85Å; E432-K435 IonicContact OE1-NZ 3.83Å; E432-K435 PolarHBondContact OE1-NZ 2.9Å
436T37.6Very low55.4Low131 Ų13189.8 Ų89.880%0.80447%0.47SS*.THydrogen-bonded Turntrans-90.92.5-166.653.10000115.6K434K434-T436 VanDerWaalsContact C-N 3.32Å; K434-T436 PolarHBondContact O-N 3.3Å
437A38.1Very low56.9Low50 Ų5087.9 Ų87.941%0.41346%0.455SS..SBendtrans-141152.416700000108.9H439A437-H439 VanDerWaalsContact CB-CD2 3.45Å; A437-H439 WeakPolarHBondContact CB-CD2 3.45Å; A437-H439 PolarHBondContact O-N 2.86Å
438D44.3Very low58.9Low135 Ų13583.1 Ų83.172%0.72243%0.43SS*.SBendtrans-62.627.1179.9-128.1-6.6000114H440D438-H440 PolarHBondContact O-N 3.18Å
439H42.9Very low61.3Low122 Ų12280.7 Ų80.757%0.56542%0.416SS*.  trans-9955-174.7-62.7-42.5000111.6A437 H441A437-H439 VanDerWaalsContact CB-CD2 3.45Å; A437-H439 WeakPolarHBondContact CB-CD2 3.45Å; A437-H439 PolarHBondContact O-N 2.86Å; H439-H441 PolarHBondContact O-N 2.58Å
440H52.6Low63.8Low108 Ų10876 Ų7650%0.538%0.384SS..  trans-66.5114.4161-73.8-61.2000108.9D428 D438 P442D428-H440 IonicContact OD2-ND1 3.31Å; D438-H440 PolarHBondContact O-N 3.18Å; H440-P442 WeakPolarHBondContact O-CD 3.36Å
441H57.3Low66.3Low110 Ų11067.4 Ų67.451%0.50934%0.344SS..  trans-9899.1178.1-73.9-56000110.5H439 S443H439-H441 PolarHBondContact O-N 2.58Å; H441-S443 PolarHBondContact O-N 3.31Å
442P65.6Low68.7Low21 Ų2163.8 Ų63.814%0.13633%0.325CS..  trans-62.8131.3-179.527.8-36.5000110.2E423 S424 H440 Y444 R477E423-P442 HydrophobicContact CB-CB 4.34Å; S424-P442 WeakPolarHBondContact O-CA 3.47Å; S424-P442 WeakPolarHBondContact O-CB 3.3Å; H440-P442 WeakPolarHBondContact O-CD 3.36Å; P442-Y444 PolarHBondContact O-N 3.05Å; P442-R477 WeakPolarHBondContact O-CD 3.29Å; P442-R477 PolarHBondContact O-NE 3.4Å; P442-R477 PolarHBondContact O-NH1 3.42Å
443S79.1Confident70.9Confident58 Ų5857.2 Ų57.241%0.40629%0.294SS..SBendtrans-47.3-38.3178.2-59.80000113.2S424 H441 R477S424-S443 PolarHBondContact OG-N 3.12Å; H441-S443 PolarHBondContact O-N 3.31Å; S443-R477 PolarHBondContact O-NH1 2.84Å
444Y87Confident73.2Confident24 Ų2448.8 Ų48.89%0.09426%0.255CS..  trans-145.1164.6169.368.7-87000111.3Y298 F325 S424 P442 V470 T471Y298-Y444 WeakPolarHBondContact CE1-OH 3.31Å; Y298-Y444 PolarHBondContact OH-OH 3.05Å; F325-Y444 HydrophobicContact CE1-CE1 4.48Å; F325-Y444 WeakPolarHBondContact CE1-OH 3.48Å; S424-Y444 PolarHBondContact OG-N 2.72Å; S424-Y444 PolarHBondContact OG-O 3.21Å; P442-Y444 PolarHBondContact O-N 3.05Å; Y444-V470 HydrophobicContact CD2-CG1 4.5Å; Y444-T471 WeakPolarHBondContact CA-O 3.3Å; Y444-T471 WeakPolarHBondContact CB-O 3.5Å
445S92.7Very high75.6Confident5 Ų543.3 Ų43.34%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-128.6140.5170.3-57.70000110.2T471 R477S445-T471 PolarHBondContact N-O 3.2Å; S445-T471 PolarHBondContact O-N 3.11Å; S445-R477 WeakPolarHBondContact OG-CG 3.49Å
446L95.3Very high78.2Confident2 Ų239 Ų391%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-118.7137171.8178158.2000109.2I2 L295 L420 W421 I422 L448 I469 V470I2-L446 HydrophobicContact CD1-CD1 3.83Å; L295-L446 HydrophobicContact CD1-CD1 3.7Å; L295-L446 HydrophobicContact CD2-CD1 4.1Å; L295-L446 HydrophobicContact CD2-CD2 4.12Å; L420-L446 HydrophobicContact CD2-CD2 3.84Å; W421-L446 CarbonylContact C-O 3.57Å; W421-L446 VanDerWaalsContact CA-O 3.29Å; W421-L446 WeakPolarHBondContact CA-O 3.37Å; I422-L446 HydrophobicContact CB-CB 4.31Å; I422-L446 HydrophobicContact CD1-CD2 4.25Å; I422-L446 PolarHBondContact N-O 3.28Å; I422-L446 PolarHBondContact O-N 2.76Å; L446-L448 HydrophobicContact CD2-CD2 4.44Å; L446-L448 HydrophobicContact CD2-CG 4.39Å; L446-I469 CarbonylContact C-O 3.32Å; L446-I469 VanDerWaalsContact CA-O 3.25Å; L446-I469 WeakPolarHBondContact CA-O 3.4Å; L446-V470 HydrophobicContact CB-CG2 4.46Å; L446-V470 HydrophobicContact CD1-CG2 3.88Å; L446-V470 HydrophobicContact CG-CG2 4.11Å
447S97.4Very high80.7Confident0 Ų034.7 Ų34.70%018%0.181CC..EExtended strand (participates in β ladder)trans-138.2148.1167.7-163.60000113.1R188 L420 W421 I469R188-S447 PolarHBondContact NH2-OG 2.7Å; L420-S447 CarbonylContact O-C 3.6Å; L420-S447 WeakPolarHBondContact O-CA 3.06Å; L420-S447 PolarHBondContact O-OG 3.46Å; W421-S447 VanDerWaalsContact CD1-OG 3.3Å; W421-S447 PolarHBondContact NE1-OG 3.45Å; S447-I469 PolarHBondContact N-O 2.91Å; S447-I469 PolarHBondContact O-N 3.31Å
448L97.8Very high83.4Confident0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-106.9126.7171.4-59.3179.6000109.7R188 L277 F291 M292 G419 L420 L446 F454 L467 C468R188-L448 PolarHBondContact NH1-O 2.92Å; L277-L448 HydrophobicContact CD1-CD2 4.39Å; F291-L448 HydrophobicContact CE1-CD2 4.5Å; M292-L448 HydrophobicContact CE-CD1 3.68Å; M292-L448 HydrophobicContact SD-CD1 3.36Å; M292-L448 WeakPolarHBondContact SD-CD1 3.32Å; G419-L448 WeakPolarHBondContact CA-O 3.44Å; L420-L448 HydrophobicContact CB-CB 4.29Å; L420-L448 HydrophobicContact CB-CD1 3.85Å; L420-L448 HydrophobicContact CB-CG 4.1Å; L420-L448 HydrophobicContact CD2-CD1 4.19Å; L420-L448 HydrophobicContact CD2-CG 4.34Å; L420-L448 PolarHBondContact O-N 3.25Å; L446-L448 HydrophobicContact CD2-CD2 4.44Å; L446-L448 HydrophobicContact CD2-CG 4.39Å; L448-F454 HydrophobicContact CD1-CE1 4.14Å; L448-F454 HydrophobicContact CD1-CZ 4.14Å; L448-L467 CarbonylContact C-O 3.51Å; L448-L467 VanDerWaalsContact CA-O 3.3Å; L448-L467 WeakPolarHBondContact CA-O 3.49Å; L448-C468 HydrophobicContact CD2-CB 3.38Å
449V98Very high85.8Confident0 Ų026.4 Ų26.40%013%0.13CC..EExtended strand (participates in β ladder)trans-129.3133.917663.60000110.9M172 R188 W190 Q466 L467 I469M172-V449 HydrophobicContact CG-CG1 4.11Å; M172-V449 HydrophobicContact CG-CG2 4.43Å; R188-V449 HydrophobicContact CB-CG2 4.15Å; W190-V449 HydrophobicContact CB-CG1 4.42Å; W190-V449 HydrophobicContact CD2-CB 4.38Å; W190-V449 HydrophobicContact CD2-CG1 3.92Å; W190-V449 HydrophobicContact CE3-CG1 4.21Å; W190-V449 HydrophobicContact CG-CB 4.39Å; W190-V449 HydrophobicContact CG-CG1 4.05Å; W190-V449 HydrophobicContact CG-CG2 4.06Å; V449-Q466 CarbonylContact O-C 3.53Å; V449-Q466 WeakPolarHBondContact O-CA 3.18Å; V449-Q466 WeakPolarHBondContact O-CB 3.33Å; V449-L467 HydrophobicContact CG1-CB 4.16Å; V449-L467 PolarHBondContact N-O 2.89Å; V449-L467 PolarHBondContact O-N 3.16Å; V449-I469 HydrophobicContact CG1-CD1 3.64Å
450G97.1Very high88.2Confident4 Ų422.6 Ų22.64%0.04111%0.113CC..EExtended strand (participates in β ladder)trans152.9-143.3179.400000112.8G174 K418G174-G450 WeakPolarHBondContact CA-O 3.46Å; K418-G450 VanDerWaalsContact CE-O 3.29Å; K418-G450 WeakPolarHBondContact CE-O 3.38Å
451S94Very high90.1Very high0 Ų019.1 Ų19.10%010%0.096CC..SBendtrans-96.4-17.5-163.9-57.20000115.5H160 K162 K418 S465H160-S451 WeakPolarHBondContact O-CB 3.35Å; H160-S451 PolarHBondContact O-OG 3.15Å; K162-S451 WeakPolarHBondContact CD-OG 3.34Å; K162-S451 PolarHBondContact N-OG 2.92Å; K418-S451 VanDerWaalsContact CD-O 3.32Å; K418-S451 WeakPolarHBondContact CD-O 3.34Å; K418-S451 VanDerWaalsContact CE-O 3.27Å; K418-S451 WeakPolarHBondContact CE-O 3.45Å; K418-S451 PolarHBondContact NZ-O 3.15Å; S451-S465 PolarHBondContact N-O 3.02Å; S451-S465 VanDerWaalsContact N-O 3.13Å
452S93.7Very high91.9Very high1 Ų113.9 Ų13.91%0.0077%0.072CC..  trans-69.9129.3-172.5-175.60000113.9E288 K418 F454 E464E288-S452 WeakPolarHBondContact OE1-CB 3.45Å; E288-S452 PolarHBondContact OE1-OG 2.99Å; K418-S452 WeakPolarHBondContact CB-O 3.21Å; K418-S452 WeakPolarHBondContact CD-O 3.12Å; K418-S452 WeakPolarHBondContact CG-O 3.47Å; S452-F454 PolarHBondContact OG-N 3.14Å; S452-E464 VanDerWaalsContact CA-OE2 3.28Å; S452-E464 WeakPolarHBondContact CA-OE2 3.41Å
453N91.8Very high93.4Very high2 Ų212.9 Ų12.91%0.0117%0.065CC..  trans-97.72.5169.8-73.5-81.5000112.6S331 S455 S458S331-N453 PolarHBondContact OG-O 2.79Å; S331-N453 PolarHBondContact OG-OD1 3.13Å; N453-S455 PolarHBondContact O-N 3.25Å; N453-S458 PolarHBondContact N-OG 2.95Å; N453-S458 VanDerWaalsContact N-OG 3.1Å
454F92.8Very high94.2Very high5 Ų510.1 Ų10.12%0.0225%0.046CC..SBendtrans58.923.6-173-44.9-82.2000113.2M292 L329 L336 Y340 L420 L448 S452M292-F454 HydrophobicContact CE-CE1 4.03Å; L329-F454 HydrophobicContact CD1-CD2 3.55Å; L329-F454 HydrophobicContact CD1-CE2 3.37Å; L329-F454 HydrophobicContact CD1-CG 4.35Å; L329-F454 HydrophobicContact CD1-CZ 4.04Å; L336-F454 HydrophobicContact CD2-CB 3.69Å; Y340-F454 HydrophobicContact CD2-CB 3.95Å; Y340-F454 WeakPolarHBondContact CD2-O 3.24Å; Y340-F454 HydrophobicContact CE1-CD1 4.18Å; Y340-F454 HydrophobicContact CE2-CB 3.8Å; Y340-F454 HydrophobicContact CE2-CD1 4.32Å; Y340-F454 AromaticContact CZ-CD1 3.89Å; L420-F454 HydrophobicContact CB-CZ 4.46Å; L448-F454 HydrophobicContact CD1-CE1 4.14Å; L448-F454 HydrophobicContact CD1-CZ 4.14Å; S452-F454 PolarHBondContact OG-N 3.14Å
455S94Very high94.7Very high3 Ų39 Ų92%0.0214%0.041CC..BIsolated β-bridgetrans-88.4173.1179820000113.8N335 T337 N453 R457 S458 L459 M524N335-S455 WeakPolarHBondContact O-CA 3.4Å; T337-S455 VanDerWaalsContact CG2-C 3.48Å; T337-S455 WeakPolarHBondContact CG2-O 3.39Å; N453-S455 PolarHBondContact O-N 3.25Å; S455-R457 VanDerWaalsContact C-N 3.26Å; S455-R457 PolarHBondContact O-N 3.17Å; S455-R457 PolarHBondContact OG-N 3.3Å; S455-S458 PolarHBondContact O-N 3.24Å; S455-S458 PolarHBondContact OG-N 2.74Å; S455-L459 WeakPolarHBondContact O-CB 3.48Å; S455-L459 PolarHBondContact O-N 3.16Å; S455-M524 WeakPolarHBondContact CB-O 2.98Å; S455-M524 PolarHBondContact OG-O 3.04Å
456Y93.1Very high94.9Very high38 Ų388.9 Ų8.915%0.1494%0.04CC..Hα-helixtrans-62.2-36172.5-77.1-87.7000111.8T337 K338 L459 N460 R521 W522T337-Y456 HydrophobicContact CG2-CD1 3.9Å; T337-Y456 HydrophobicContact CG2-CD2 3.96Å; T337-Y456 HydrophobicContact CG2-CE1 4.16Å; T337-Y456 HydrophobicContact CG2-CE2 4.25Å; T337-Y456 HydrophobicContact CG2-CG 3.79Å; K338-Y456 PolarHBondContact N-OH 3.05Å; K338-Y456 VanDerWaalsContact N-OH 3.08Å; Y456-L459 PolarHBondContact O-N 3.49Å; Y456-N460 WeakPolarHBondContact O-CB 3.09Å; Y456-N460 PolarHBondContact O-N 2.95Å; Y456-N460 PolarHBondContact O-ND2 2.87Å; Y456-R521 VanDerWaalsContact CB-O 3.29Å; Y456-R521 WeakPolarHBondContact CB-O 3.21Å; Y456-R521 WeakPolarHBondContact CD2-O 3.43Å; Y456-R521 HydrophobicContact CE2-CB 4.47Å; Y456-W522 AromaticContact CD1-CE3 3.56Å; Y456-W522 HydrophobicContact CD1-CE3 3.56Å; Y456-W522 AromaticContact CD1-CZ3 3.73Å; Y456-W522 HydrophobicContact CD1-CZ3 3.73Å; Y456-W522 AromaticContact CE1-CE3 3.78Å; Y456-W522 HydrophobicContact CE1-CE3 3.78Å; Y456-W522 AromaticContact CE1-CZ3 3.81Å; Y456-W522 HydrophobicContact CE1-CZ3 3.81Å; Y456-W522 HydrophobicContact CG-CE3 4.39Å
457R90.8Very high95.1Very high41 Ų418.8 Ų8.816%0.1554%0.04CC..Hα-helixtrans-67.8-47.7176.6-158.8-177.974.1-174.73.1111.6S455 L459 N460 R461 D462 M524S455-R457 VanDerWaalsContact C-N 3.26Å; S455-R457 PolarHBondContact O-N 3.17Å; S455-R457 PolarHBondContact OG-N 3.3Å; R457-L459 VanDerWaalsContact C-N 3.29Å; R457-L459 PolarHBondContact O-N 3.06Å; R457-N460 PolarHBondContact O-N 2.91Å; R457-R461 HydrophobicContact CG-CB 3.99Å; R457-R461 WeakPolarHBondContact O-CA 3.23Å; R457-R461 WeakPolarHBondContact O-CB 3.39Å; R457-R461 PolarHBondContact O-N 3.5Å; R457-D462 WeakPolarHBondContact CG-OD2 3.33Å; R457-D462 IonicContact CZ-OD2 3.39Å; R457-D462 IonicContact NE-OD1 3.52Å; R457-D462 IonicContact NE-OD2 3.69Å; R457-D462 PolarHBondContact NE-OD2 2.84Å; R457-D462 IonicContact NH2-OD2 3.7Å; R457-D462 PolarHBondContact NH2-OD2 2.86Å; R457-D462 PolarHBondContact O-N 2.98Å; R457-M524 WeakPolarHBondContact CB-O 3.33Å
458S93.6Very high95.1Very high1 Ų18.8 Ų8.81%0.0074%0.04CC..Hα-helixtrans-54.7-44.2173.3-80.30000112.3Q279 N453 S455 E464Q279-S458 VanDerWaalsContact CG-O 3.22Å; Q279-S458 WeakPolarHBondContact CG-O 3.31Å; N453-S458 PolarHBondContact N-OG 2.95Å; N453-S458 VanDerWaalsContact N-OG 3.1Å; S455-S458 PolarHBondContact O-N 3.24Å; S455-S458 PolarHBondContact OG-N 2.74Å; S458-E464 VanDerWaalsContact CA-OE2 3.27Å; S458-E464 WeakPolarHBondContact CA-OE2 3.44Å; S458-E464 WeakPolarHBondContact CB-OE2 3.33Å; S458-E464 PolarHBondContact OG-OE1 2.87Å; S458-E464 PolarHBondContact OG-OE2 3.31Å
459L94.6Very high95Very high10 Ų108.8 Ų8.85%0.0524%0.04CC..Hα-helixtrans-73.3-44.8-178-16366.2000112.5Q279 G281 K289 T337 L339 S455 Y456 R457Q279-L459 PolarHBondContact NE2-O 3.46Å; G281-L459 WeakPolarHBondContact CA-O 3.26Å; G281-L459 PolarHBondContact N-O 3Å; K289-L459 HydrophobicContact CB-CD1 3.63Å; K289-L459 HydrophobicContact CD-CD1 3.89Å; K289-L459 HydrophobicContact CD-CD2 4.33Å; K289-L459 HydrophobicContact CD-CG 4.34Å; K289-L459 HydrophobicContact CG-CD1 3.78Å; T337-L459 HydrophobicContact CG2-CB 4.18Å; T337-L459 HydrophobicContact CG2-CD2 3.9Å; L339-L459 HydrophobicContact CD2-CD2 4.47Å; S455-L459 WeakPolarHBondContact O-CB 3.48Å; S455-L459 PolarHBondContact O-N 3.16Å; Y456-L459 PolarHBondContact O-N 3.49Å; R457-L459 VanDerWaalsContact C-N 3.29Å; R457-L459 PolarHBondContact O-N 3.06Å
460N93.7Very high94.9Very high42 Ų429.7 Ų9.723%0.2255%0.045CC..Hα-helixtrans-108.8-14.8-161.7-58.7-27.6000114.3G281 Y282 Y456 R457G281-N460 CarbonylContact C-O 3.57Å; Y282-N460 PolarHBondContact N-O 3.31Å; Y456-N460 WeakPolarHBondContact O-CB 3.09Å; Y456-N460 PolarHBondContact O-N 2.95Å; Y456-N460 PolarHBondContact O-ND2 2.87Å; R457-N460 PolarHBondContact O-N 2.91Å
461R92.2Very high94.7Very high35 Ų359.6 Ų9.613%0.1324%0.044CC..THydrogen-bonded Turntrans-135.7-46.2-163.2-59.6-174.8174.3-77.6-4.3114.6I155 F156 Y280 R457I155-R461 WeakPolarHBondContact O-CD 3.37Å; F156-R461 PolarHBondContact O-NH1 3.28Å; Y280-R461 WeakPolarHBondContact CE2-O 3.3Å; R457-R461 HydrophobicContact CG-CB 3.99Å; R457-R461 WeakPolarHBondContact O-CA 3.23Å; R457-R461 WeakPolarHBondContact O-CB 3.39Å; R457-R461 PolarHBondContact O-N 3.5Å
462D94.9Very high94.6Very high0 Ų013.2 Ų13.20%07%0.066CC..  trans-79.9143.3-175.5-69-13.1000110.4G157 V158 H160 R457 E464G157-D462 WeakPolarHBondContact CA-OD1 3.49Å; V158-D462 WeakPolarHBondContact CG2-OD1 3.47Å; V158-D462 PolarHBondContact N-OD1 2.95Å; V158-D462 WeakPolarHBondContact O-CA 3.17Å; H160-D462 HydrophobicContact CB-CB 4.14Å; R457-D462 WeakPolarHBondContact CG-OD2 3.33Å; R457-D462 IonicContact CZ-OD2 3.39Å; R457-D462 IonicContact NE-OD1 3.52Å; R457-D462 IonicContact NE-OD2 3.69Å; R457-D462 PolarHBondContact NE-OD2 2.84Å; R457-D462 IonicContact NH2-OD2 3.7Å; R457-D462 PolarHBondContact NH2-OD2 2.86Å; R457-D462 PolarHBondContact O-N 2.98Å; D462-E464 HydrophobicContact CB-CG 3.49Å; D462-E464 VanDerWaalsContact CB-CG 3.49Å; D462-E464 PolarHBondContact O-N 2.83Å
463L97.2Very high94.6Very high0 Ų014 Ų140%07%0.07CC..BIsolated β-bridgetrans-84.2102.4166.9170.662.7000107.5V158 H160 I161 I210 F242 I278 Y280V158-L463 PolarHBondContact O-N 2.94Å; H160-L463 WeakPolarHBondContact CA-O 3.47Å; H160-L463 PolarHBondContact N-O 2.9Å; I161-L463 HydrophobicContact CD1-CG 4.31Å; I161-L463 PolarHBondContact N-O 2.86Å; I210-L463 HydrophobicContact CD1-CD2 3.96Å; I210-L463 HydrophobicContact CG1-CD2 4.12Å; F242-L463 HydrophobicContact CE1-CD1 4.38Å; F242-L463 HydrophobicContact CE2-CD2 4.43Å; F242-L463 HydrophobicContact CZ-CD1 4.14Å; F242-L463 HydrophobicContact CZ-CD2 3.84Å; I278-L463 HydrophobicContact CG2-CD1 4.25Å; Y280-L463 HydrophobicContact CD1-CB 4.24Å; Y280-L463 HydrophobicContact CD1-CD1 3.99Å; Y280-L463 HydrophobicContact CD2-CB 3.95Å; Y280-L463 HydrophobicContact CE1-CB 4.49Å; Y280-L463 HydrophobicContact CE2-CB 4.25Å; Y280-L463 HydrophobicContact CG-CB 3.98Å; Y280-L463 HydrophobicContact CG-CD1 3.95Å
464E96.3Very high94.7Very high0 Ų017.8 Ų17.80%010%0.095CC..EExtended strand (participates in β ladder)trans-122.3157.9-172.2-47.3-153.8120.800111.9H160 I278 Q279 S452 S458 D462H160-E464 HydrophobicContact CB-CG 4.06Å; H160-E464 IonicContact CE1-OE1 2.67Å; H160-E464 IonicContact CG-OE1 3.42Å; H160-E464 IonicContact ND1-OE1 2.82Å; H160-E464 PolarHBondContact ND1-OE1 2.72Å; I278-E464 WeakPolarHBondContact CA-O 3.3Å; Q279-E464 PolarHBondContact N-O 3.26Å; Q279-E464 PolarHBondContact O-N 2.85Å; S452-E464 VanDerWaalsContact CA-OE2 3.28Å; S452-E464 WeakPolarHBondContact CA-OE2 3.41Å; S458-E464 VanDerWaalsContact CA-OE2 3.27Å; S458-E464 WeakPolarHBondContact CA-OE2 3.44Å; S458-E464 WeakPolarHBondContact CB-OE2 3.33Å; S458-E464 PolarHBondContact OG-OE1 2.87Å; S458-E464 PolarHBondContact OG-OE2 3.31Å; D462-E464 HydrophobicContact CB-CG 3.49Å; D462-E464 VanDerWaalsContact CB-CG 3.49Å; D462-E464 PolarHBondContact O-N 2.83Å
465S98Very high94.7Very high0 Ų024.4 Ų24.40%012%0.123CC..EExtended strand (participates in β ladder)trans-140.3149168.5-175.90000109.9Y202 L277 S451Y202-S465 PolarHBondContact OH-OG 2.88Å; L277-S465 VanDerWaalsContact O-CA 3.23Å; L277-S465 WeakPolarHBondContact O-CA 3.38Å; L277-S465 WeakPolarHBondContact O-CB 3.38Å; L277-S465 PolarHBondContact O-OG 3.27Å; S451-S465 PolarHBondContact N-O 3.02Å; S451-S465 VanDerWaalsContact N-O 3.13Å
466Q97.1Very high94.8Very high2 Ų224.5 Ų24.51%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-143.7160.3171.162.5176.1-19.700109.3L277 E288 V449L277-Q466 HydrophobicContact CB-CG 3.85Å; L277-Q466 HydrophobicContact CD1-CG 4.06Å; L277-Q466 HydrophobicContact CG-CG 4.44Å; L277-Q466 PolarHBondContact N-O 3.32Å; L277-Q466 PolarHBondContact O-N 2.85Å; L277-Q466 VanDerWaalsContact O-N 3.11Å; E288-Q466 PolarHBondContact OE1-NE2 3.13Å; E288-Q466 PolarHBondContact OE2-NE2 3.45Å; V449-Q466 CarbonylContact O-C 3.53Å; V449-Q466 WeakPolarHBondContact O-CA 3.18Å; V449-Q466 WeakPolarHBondContact O-CB 3.33Å
467L98.3Very high94.9Very high0 Ų024.2 Ų24.20%012%0.123CC..EExtended strand (participates in β ladder)trans-107.4131.3173.9-59.4178.6000108.5M172 F192 L198 Y202 I274 P276 L448 V449 I469M172-L467 HydrophobicContact CB-CD1 4Å; M172-L467 HydrophobicContact CE-CD1 3.96Å; M172-L467 HydrophobicContact CE-CG 4.03Å; M172-L467 HydrophobicContact CG-CD1 3.9Å; M172-L467 HydrophobicContact CG-CG 4.15Å; F192-L467 HydrophobicContact CD2-CD1 4.2Å; F192-L467 HydrophobicContact CE1-CD1 4.39Å; F192-L467 HydrophobicContact CE2-CD1 3.37Å; F192-L467 HydrophobicContact CZ-CD1 3.48Å; F192-L467 VanDerWaalsContact CZ-CD1 3.48Å; L198-L467 HydrophobicContact CD1-CD1 4.37Å; L198-L467 HydrophobicContact CD1-CD2 3.9Å; L198-L467 HydrophobicContact CD2-CD1 3.87Å; Y202-L467 HydrophobicContact CE2-CD2 4.08Å; Y202-L467 VanDerWaalsContact OH-CD2 3.23Å; Y202-L467 WeakPolarHBondContact OH-CD2 3.4Å; I274-L467 HydrophobicContact CG2-CB 4.39Å; I274-L467 HydrophobicContact CG2-CD1 4.44Å; I274-L467 HydrophobicContact CG2-CD2 4.07Å; P276-L467 HydrophobicContact CB-CD2 3.91Å; P276-L467 HydrophobicContact CG-CD2 4.13Å; L448-L467 CarbonylContact C-O 3.51Å; L448-L467 VanDerWaalsContact CA-O 3.3Å; L448-L467 WeakPolarHBondContact CA-O 3.49Å; V449-L467 HydrophobicContact CG1-CB 4.16Å; V449-L467 PolarHBondContact N-O 2.89Å; V449-L467 PolarHBondContact O-N 3.16Å; L467-I469 HydrophobicContact CB-CD1 3.77Å
468C97.6Very high95Very high0 Ų025.5 Ų25.50%013%0.13CC..EExtended strand (participates in β ladder)trans-93.2124.7162178.90000109.2I274 I275 L277 F291 L448I274-C468 CarbonylContact C-O 3.58Å; I274-C468 WeakPolarHBondContact CA-O 3.32Å; I275-C468 HydrophobicContact CB-CB 4.2Å; I275-C468 PolarHBondContact N-O 3.38Å; I275-C468 PolarHBondContact O-N 3.16Å; L277-C468 HydrophobicContact CD1-CB 4.2Å; F291-C468 HydrophobicContact CE1-CB 4Å; F291-C468 HydrophobicContact CZ-CB 3.91Å; F291-C468 VanDerWaalsContact CZ-SG 3.53Å; L448-C468 HydrophobicContact CD2-CB 3.38Å
469I97Very high95.2Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-114.1126.9177-58.391.1000107.9I21 W190 F192 T272 Y273 I274 L446 S447 V449 L467I21-I469 HydrophobicContact CD1-CG2 4.37Å; W190-I469 HydrophobicContact CE3-CD1 3.96Å; W190-I469 HydrophobicContact CE3-CG1 4.26Å; W190-I469 HydrophobicContact CH2-CB 4.07Å; W190-I469 HydrophobicContact CH2-CD1 3.83Å; W190-I469 HydrophobicContact CH2-CG1 4.11Å; W190-I469 HydrophobicContact CH2-CG2 4.4Å; W190-I469 HydrophobicContact CZ3-CB 3.85Å; W190-I469 HydrophobicContact CZ3-CD1 3.45Å; W190-I469 VanDerWaalsContact CZ3-CD1 3.45Å; W190-I469 HydrophobicContact CZ3-CG1 3.51Å; W190-I469 HydrophobicContact CZ3-CG2 4.02Å; F192-I469 HydrophobicContact CE1-CG1 4.44Å; F192-I469 HydrophobicContact CZ-CD1 4.37Å; F192-I469 HydrophobicContact CZ-CG1 4.5Å; T272-I469 HydrophobicContact CG2-CG2 4.11Å; Y273-I469 WeakPolarHBondContact O-CA 3.47Å; I274-I469 HydrophobicContact CG1-CG1 4.17Å; L446-I469 CarbonylContact C-O 3.32Å; L446-I469 VanDerWaalsContact CA-O 3.25Å; L446-I469 WeakPolarHBondContact CA-O 3.4Å; S447-I469 PolarHBondContact N-O 2.91Å; S447-I469 PolarHBondContact O-N 3.31Å; V449-I469 HydrophobicContact CG1-CD1 3.64Å; L467-I469 HydrophobicContact CB-CD1 3.77Å
470V94.8Very high95.2Very high20 Ų2027.9 Ų27.912%0.12115%0.147CC..EExtended strand (participates in β ladder)trans-122.1127.5175.2-172.30000107.8I2 T272 Y273 Y444 L446I2-V470 HydrophobicContact CD1-CG1 4.23Å; I2-V470 HydrophobicContact CD1-CG2 4.23Å; I2-V470 HydrophobicContact CG2-CG2 4.19Å; T272-V470 WeakPolarHBondContact CA-O 3.07Å; Y273-V470 PolarHBondContact N-O 2.95Å; Y273-V470 PolarHBondContact O-N 2.94Å; Y444-V470 HydrophobicContact CD2-CG1 4.5Å; L446-V470 HydrophobicContact CB-CG2 4.46Å; L446-V470 HydrophobicContact CD1-CG2 3.88Å; L446-V470 HydrophobicContact CG-CG2 4.11Å
471T94.2Very high95.3Very high1 Ų129.4 Ų29.41%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-140.8138.5-177.4-170.50000112.9D271 T272 Y444 S445 N473 L476 R477 L480D271-T471 CarbonylContact O-C 3.59Å; D271-T471 VanDerWaalsContact O-CA 3.25Å; D271-T471 WeakPolarHBondContact O-CA 3.26Å; D271-T471 PolarHBondContact O-OG1 3.27Å; T272-T471 PolarHBondContact OG1-OG1 3.22Å; Y444-T471 WeakPolarHBondContact CA-O 3.3Å; Y444-T471 WeakPolarHBondContact CB-O 3.5Å; S445-T471 PolarHBondContact N-O 3.2Å; S445-T471 PolarHBondContact O-N 3.11Å; T471-N473 VanDerWaalsContact OG1-CB 3.27Å; T471-N473 WeakPolarHBondContact OG1-CB 3.25Å; T471-N473 PolarHBondContact OG1-N 2.88Å; T471-L476 HydrophobicContact CG2-CB 4.14Å; T471-L476 HydrophobicContact CG2-CD2 3.89Å; T471-L476 HydrophobicContact CG2-CG 3.92Å; T471-R477 HydrophobicContact CG2-CG 3.96Å; T471-L480 HydrophobicContact CG2-CD1 3.76Å
472T92Very high95.5Very high76 Ų7631.3 Ų31.347%0.46616%0.163SC..  trans-101.4-2.8164.857.70000111.5D271 P474D271-T472 PolarHBondContact O-N 3.45Å; D271-T472 PolarHBondContact O-OG1 2.92Å; T472-P474 WeakPolarHBondContact O-CD 3.39Å
473N93.2Very high95.6Very high18 Ų1831.9 Ų31.910%0.09617%0.165CC..  trans-67.5121-178.8-175.9-83.8000111.1S18 D271 T471 K475 L476 R477S18-N473 VanDerWaalsContact CB-CG 3.47Å; S18-N473 VanDerWaalsContact OG-CG 3.29Å; S18-N473 PolarHBondContact OG-ND2 3.45Å; S18-N473 VanDerWaalsContact OG-ND2 3.12Å; S18-N473 PolarHBondContact OG-OD1 3.44Å; D271-N473 HydrophobicContact CB-CB 4.26Å; D271-N473 WeakPolarHBondContact OD2-CB 3.48Å; D271-N473 PolarHBondContact OD2-ND2 3.48Å; T471-N473 VanDerWaalsContact OG1-CB 3.27Å; T471-N473 WeakPolarHBondContact OG1-CB 3.25Å; T471-N473 PolarHBondContact OG1-N 2.88Å; N473-K475 VanDerWaalsContact C-N 3.33Å; N473-K475 PolarHBondContact O-N 3.02Å; N473-K475 WeakPolarHBondContact OD1-CA 3.27Å; N473-K475 WeakPolarHBondContact OD1-CB 2.98Å; N473-K475 PolarHBondContact OD1-N 2.89Å; N473-L476 HydrophobicContact CB-CB 4.16Å; N473-L476 PolarHBondContact O-N 2.94Å; N473-L476 PolarHBondContact OD1-N 3.46Å; N473-R477 VanDerWaalsContact O-CG 3.29Å; N473-R477 WeakPolarHBondContact O-CG 3.27Å; N473-R477 PolarHBondContact O-N 3.39Å
474P92.6Very high95.5Very high81 Ų8133 Ų3353%0.52617%0.17SC..Hα-helixtrans-57.9-39.4-176.6-27.335.5000114.5T472 Q478T472-P474 WeakPolarHBondContact O-CD 3.39Å; P474-Q478 PolarHBondContact O-N 3.48Å; P474-Q478 VanDerWaalsContact O-N 3.1Å
475K94Very high95.4Very high144 Ų14435 Ų3563%0.62618%0.183SC*.Hα-helixtrans-67.3-46.9-179.8-63.6-179.8-179.31750110.9E19 N473 Q478 C479E19-K475 IonicContact OE1-NZ 3.96Å; N473-K475 VanDerWaalsContact C-N 3.33Å; N473-K475 PolarHBondContact O-N 3.02Å; N473-K475 WeakPolarHBondContact OD1-CA 3.27Å; N473-K475 WeakPolarHBondContact OD1-CB 2.98Å; N473-K475 PolarHBondContact OD1-N 2.89Å; K475-Q478 WeakPolarHBondContact O-CB 3.5Å; K475-Q478 PolarHBondContact O-N 3.07Å; K475-C479 PolarHBondContact O-N 3.41Å; K475-C479 PolarHBondContact O-SG 2.74Å; K475-C479 VanDerWaalsContact O-SG 3.37Å
476L95.8Very high95.3Very high5 Ų538.7 Ų38.73%0.02620%0.2CC..Hα-helixtrans-68-39.3179.6-173.159.3000111.9I21 T272 T471 N473 Q478 C479 L480I21-L476 HydrophobicContact CB-CD1 4.17Å; I21-L476 HydrophobicContact CD1-CD2 3.78Å; I21-L476 HydrophobicContact CG2-CD1 4.02Å; T272-L476 HydrophobicContact CG2-CD2 3.66Å; T471-L476 HydrophobicContact CG2-CB 4.14Å; T471-L476 HydrophobicContact CG2-CD2 3.89Å; T471-L476 HydrophobicContact CG2-CG 3.92Å; N473-L476 HydrophobicContact CB-CB 4.16Å; N473-L476 PolarHBondContact O-N 2.94Å; N473-L476 PolarHBondContact OD1-N 3.46Å; L476-Q478 VanDerWaalsContact C-N 3.26Å; L476-Q478 PolarHBondContact O-N 3.38Å; L476-C479 HydrophobicContact CD1-CB 4.3Å; L476-C479 WeakPolarHBondContact O-CA 3.28Å; L476-C479 WeakPolarHBondContact O-CB 3.27Å; L476-C479 PolarHBondContact O-N 3.38Å; L476-L480 WeakPolarHBondContact O-CG 3.45Å; L476-L480 PolarHBondContact O-N 3.1Å
477R94.4Very high95.2Very high33 Ų3338.8 Ų38.813%0.12520%0.201CC..Hα-helixtrans-55-43.8171.6-68.7-174-44.5-167.78.9111.3P442 S443 S445 T471 N473 C479 L480 Y481P442-R477 WeakPolarHBondContact O-CD 3.29Å; P442-R477 PolarHBondContact O-NE 3.4Å; P442-R477 PolarHBondContact O-NH1 3.42Å; S443-R477 PolarHBondContact O-NH1 2.84Å; S445-R477 WeakPolarHBondContact OG-CG 3.49Å; T471-R477 HydrophobicContact CG2-CG 3.96Å; N473-R477 VanDerWaalsContact O-CG 3.29Å; N473-R477 WeakPolarHBondContact O-CG 3.27Å; N473-R477 PolarHBondContact O-N 3.39Å; R477-C479 PolarHBondContact O-N 2.89Å; R477-L480 PolarHBondContact O-N 3.08Å; R477-Y481 WeakPolarHBondContact O-CB 3.2Å; R477-Y481 PolarHBondContact O-N 3.37Å
478Q94.3Very high95.1Very high68 Ų6839.9 Ų39.932%0.31821%0.206SC..Hα-helixtrans-63.6-39.3175.4-170.661.944.100112.2P474 K475 L476 Y481 N482P474-Q478 PolarHBondContact O-N 3.48Å; P474-Q478 VanDerWaalsContact O-N 3.1Å; K475-Q478 WeakPolarHBondContact O-CB 3.5Å; K475-Q478 PolarHBondContact O-N 3.07Å; L476-Q478 VanDerWaalsContact C-N 3.26Å; L476-Q478 PolarHBondContact O-N 3.38Å; Q478-Y481 PolarHBondContact O-N 3.2Å; Q478-N482 PolarHBondContact NE2-OD1 3.49Å; Q478-N482 WeakPolarHBondContact O-CB 3.38Å; Q478-N482 PolarHBondContact O-N 3.14Å; Q478-N482 PolarHBondContact O-ND2 3.05Å; Q478-N482 PolarHBondContact O-OD1 3.47Å
479C96.1Very high94.9Very high58 Ų5841.3 Ų41.339%0.39222%0.216SC..Hα-helixtrans-62.3-40.7174.3-66.60000112.5I23 K475 L476 R477 N482 E483I23-C479 HydrophobicContact CD1-CB 4.08Å; K475-C479 PolarHBondContact O-N 3.41Å; K475-C479 PolarHBondContact O-SG 2.74Å; K475-C479 VanDerWaalsContact O-SG 3.37Å; L476-C479 HydrophobicContact CD1-CB 4.3Å; L476-C479 WeakPolarHBondContact O-CA 3.28Å; L476-C479 WeakPolarHBondContact O-CB 3.27Å; L476-C479 PolarHBondContact O-N 3.38Å; R477-C479 PolarHBondContact O-N 2.89Å; C479-N482 PolarHBondContact O-N 3.18Å; C479-E483 PolarHBondContact O-N 2.77Å
480L96.2Very high94.6Very high3 Ų346.3 Ų46.32%0.01625%0.25CS..Hα-helixtrans-65.8-44176.1-63174.9000111.9I23 W190 T471 L476 R477 N482 E483 R484I23-L480 HydrophobicContact CD1-CD2 3.71Å; W190-L480 HydrophobicContact CH2-CD2 3.14Å; W190-L480 HydrophobicContact CH2-CG 4.5Å; W190-L480 HydrophobicContact CZ2-CD2 3.25Å; W190-L480 HydrophobicContact CZ3-CD2 4.22Å; T471-L480 HydrophobicContact CG2-CD1 3.76Å; L476-L480 WeakPolarHBondContact O-CG 3.45Å; L476-L480 PolarHBondContact O-N 3.1Å; R477-L480 PolarHBondContact O-N 3.08Å; L480-N482 VanDerWaalsContact C-N 3.31Å; L480-N482 PolarHBondContact O-N 2.82Å; L480-E483 PolarHBondContact O-N 3.16Å; L480-R484 WeakPolarHBondContact O-CB 3.49Å; L480-R484 PolarHBondContact O-N 3.25Å
481Y94.8Very high94.4Very high74 Ų7450 Ų5029%0.2927%0.273SS..Hα-helixtrans-57-46.3172.9176.7-92000111R477 Q478 R484 C485R477-Y481 WeakPolarHBondContact O-CB 3.2Å; R477-Y481 PolarHBondContact O-N 3.37Å; Q478-Y481 PolarHBondContact O-N 3.2Å; Y481-R484 PolarHBondContact O-N 2.86Å; Y481-C485 VanDerWaalsContact CE1-SG 3.51Å; Y481-C485 VanDerWaalsContact CZ-SG 3.51Å; Y481-C485 WeakPolarHBondContact O-CB 3.3Å; Y481-C485 PolarHBondContact O-N 3.39Å; Y481-C485 PolarHBondContact O-SG 3.18Å; Y481-C485 VanDerWaalsContact O-SG 3.4Å
482N95.9Very high94.2Very high74 Ų7450.8 Ų50.840%0.39628%0.278SS..Hα-helixtrans-65.2-40.5179.1-68.7-14.8000112.6Q478 C479 L480 H486Q478-N482 PolarHBondContact NE2-OD1 3.49Å; Q478-N482 WeakPolarHBondContact O-CB 3.38Å; Q478-N482 PolarHBondContact O-N 3.14Å; Q478-N482 PolarHBondContact O-ND2 3.05Å; Q478-N482 PolarHBondContact O-OD1 3.47Å; C479-N482 PolarHBondContact O-N 3.18Å; L480-N482 VanDerWaalsContact C-N 3.31Å; L480-N482 PolarHBondContact O-N 2.82Å; N482-H486 WeakPolarHBondContact O-CB 3.23Å; N482-H486 PolarHBondContact O-N 3.02Å
483E97.2Very high94.3Very high13 Ų1347.3 Ų47.36%0.06126%0.257CS..Hα-helixtrans-59.9-49.7173.7-175.8-165-151.500110.7I23 R188 W190 W421 C479 L480 H486 L487I23-E483 HydrophobicContact CD1-CB 4.4Å; I23-E483 HydrophobicContact CG2-CB 4.01Å; I23-E483 HydrophobicContact CG2-CG 3.78Å; R188-E483 IonicContact CZ-OE1 2.72Å; R188-E483 IonicContact CZ-OE2 3.53Å; R188-E483 IonicContact NE-OE1 2.72Å; R188-E483 PolarHBondContact NE-OE1 3.49Å; R188-E483 IonicContact NE-OE2 3.65Å; R188-E483 IonicContact NH2-OE1 3.8Å; R188-E483 PolarHBondContact NH2-OE1 3.05Å; R188-E483 IonicContact NH2-OE2 3.97Å; R188-E483 PolarHBondContact NH2-OE2 3.18Å; W190-E483 PolarHBondContact NE1-OE1 3.5Å; W421-E483 PolarHBondContact NE1-OE2 3.38Å; W421-E483 VanDerWaalsContact NE1-OE2 3.12Å; C479-E483 PolarHBondContact O-N 2.77Å; L480-E483 PolarHBondContact O-N 3.16Å; E483-H486 WeakPolarHBondContact O-CB 3.22Å; E483-H486 PolarHBondContact O-N 2.93Å; E483-L487 PolarHBondContact O-N 2.99Å
484R95.6Very high94.4Very high24 Ų2452 Ų529%0.09127%0.274CS..Hα-helixtrans-59.4-50.3177.8-178.2-161.358.667.12.7111F328 W421 E423 L480 Y481 H486 L487 F488F328-R484 HydrophobicContact CB-CG 4.46Å; F328-R484 HydrophobicContact CD1-CG 4.14Å; F328-R484 HydrophobicContact CD2-CG 4.38Å; F328-R484 VanDerWaalsContact CE2-CD 3.41Å; F328-R484 VanDerWaalsContact CG-CD 3.5Å; F328-R484 HydrophobicContact CG-CG 4.09Å; W421-R484 HydrophobicContact CD2-CB 4.5Å; W421-R484 HydrophobicContact CD2-CG 4.48Å; W421-R484 HydrophobicContact CG-CB 4.41Å; W421-R484 HydrophobicContact CG-CG 4.49Å; E423-R484 WeakPolarHBondContact OE1-CD 3.5Å; E423-R484 IonicContact OE1-CZ 2.83Å; E423-R484 IonicContact OE1-NE 3.56Å; E423-R484 PolarHBondContact OE1-NE 2.93Å; E423-R484 IonicContact OE1-NH2 3.44Å; E423-R484 IonicContact OE2-NE 2.71Å; L480-R484 WeakPolarHBondContact O-CB 3.49Å; L480-R484 PolarHBondContact O-N 3.25Å; Y481-R484 PolarHBondContact O-N 2.86Å; R484-H486 VanDerWaalsContact C-N 3.26Å; R484-H486 PolarHBondContact O-N 2.82Å; R484-L487 PolarHBondContact O-N 2.77Å; R484-F488 HydrophobicContact CG-CD2 4.01Å; R484-F488 HydrophobicContact CG-CE2 4.41Å; R484-F488 WeakPolarHBondContact O-CB 3.38Å; R484-F488 WeakPolarHBondContact O-CD2 3.34Å; R484-F488 PolarHBondContact O-N 2.82Å
485C95.2Very high94.5Very high42 Ų4252.6 Ų52.628%0.28428%0.278SS..Hα-helixtrans-58.1-38.6177.2-78.80000112.3Y481 F488 S489Y481-C485 VanDerWaalsContact CE1-SG 3.51Å; Y481-C485 VanDerWaalsContact CZ-SG 3.51Å; Y481-C485 WeakPolarHBondContact O-CB 3.3Å; Y481-C485 PolarHBondContact O-N 3.39Å; Y481-C485 PolarHBondContact O-SG 3.18Å; Y481-C485 VanDerWaalsContact O-SG 3.4Å; C485-F488 CarbonylContact O-C 3.59Å; C485-S489 VanDerWaalsContact O-CA 3.32Å; C485-S489 WeakPolarHBondContact O-CA 3.48Å; C485-S489 WeakPolarHBondContact O-CB 3.47Å; C485-S489 PolarHBondContact O-N 3.26Å
486H95.1Very high94.5Very high76 Ų7646.7 Ų46.735%0.35225%0.254SS..Hα-helixtrans-63.5-45.3176.4-179.762.8000111.7N482 E483 R484 S489N482-H486 WeakPolarHBondContact O-CB 3.23Å; N482-H486 PolarHBondContact O-N 3.02Å; E483-H486 WeakPolarHBondContact O-CB 3.22Å; E483-H486 PolarHBondContact O-N 2.93Å; R484-H486 VanDerWaalsContact C-N 3.26Å; R484-H486 PolarHBondContact O-N 2.82Å; H486-S489 VanDerWaalsContact O-CB 3.32Å; H486-S489 WeakPolarHBondContact O-CB 3.34Å; H486-S489 PolarHBondContact O-N 2.8Å
487L95.5Very high94.4Very high4 Ų450 Ų502%0.02127%0.274CS..Hα-helixtrans-71-37.9179.2-69.7174.7000113Q186 R188 L359 F415 A417 W421 E483 R484 S489 C493Q186-L487 HydrophobicContact CG-CD2 3.68Å; R188-L487 HydrophobicContact CG-CD1 3.76Å; L359-L487 HydrophobicContact CD2-CB 4.43Å; L359-L487 WeakPolarHBondContact CD2-O 3.28Å; F415-L487 HydrophobicContact CE2-CD2 4.37Å; A417-L487 HydrophobicContact CB-CD1 4.24Å; A417-L487 HydrophobicContact CB-CD2 3.92Å; W421-L487 HydrophobicContact CH2-CD1 3.58Å; W421-L487 HydrophobicContact CZ2-CD1 3.63Å; E483-L487 PolarHBondContact O-N 2.99Å; R484-L487 PolarHBondContact O-N 2.77Å; L487-S489 VanDerWaalsContact C-N 3.29Å; L487-C493 PolarHBondContact O-SG 3.45Å
488F95.4Very high94.3Very high24 Ų2450 Ų5011%0.10528%0.276CS..THydrogen-bonded Turntrans-91.918.8177.8-75.5-103.4000112.7F328 N357 L359 Y406 W421 R484 C485 S490F328-F488 HydrophobicContact CB-CE2 4.04Å; F328-F488 HydrophobicContact CB-CZ 3.88Å; F328-F488 HydrophobicContact CD1-CD1 4.12Å; F328-F488 HydrophobicContact CD1-CD2 4.37Å; F328-F488 AromaticContact CD1-CE1 3.87Å; F328-F488 HydrophobicContact CD1-CE1 3.87Å; F328-F488 HydrophobicContact CD1-CE2 4.15Å; F328-F488 HydrophobicContact CD1-CG 4.36Å; F328-F488 AromaticContact CD1-CZ 3.89Å; F328-F488 HydrophobicContact CD1-CZ 3.89Å; F328-F488 HydrophobicContact CG-CZ 4.4Å; N357-F488 HydrophobicContact CB-CE1 4.08Å; L359-F488 HydrophobicContact CB-CD1 4.18Å; L359-F488 HydrophobicContact CB-CE1 3.5Å; L359-F488 VanDerWaalsContact CB-CE1 3.5Å; L359-F488 HydrophobicContact CB-CE2 4.11Å; L359-F488 HydrophobicContact CB-CZ 3.45Å; L359-F488 VanDerWaalsContact CB-CZ 3.45Å; L359-F488 HydrophobicContact CD2-CD1 4.44Å; L359-F488 HydrophobicContact CD2-CD2 4.07Å; L359-F488 HydrophobicContact CD2-CE1 4.41Å; L359-F488 HydrophobicContact CD2-CE2 4.03Å; L359-F488 HydrophobicContact CD2-CG 4.28Å; L359-F488 HydrophobicContact CD2-CZ 4.2Å; L359-F488 HydrophobicContact CG-CZ 4.48Å; Y406-F488 HydrophobicContact CD2-CD1 4.04Å; Y406-F488 HydrophobicContact CD2-CE1 4.12Å; Y406-F488 HydrophobicContact CE2-CD1 4.33Å; W421-F488 HydrophobicContact CE3-CE2 4.48Å; W421-F488 HydrophobicContact CZ3-CE2 4.09Å; R484-F488 HydrophobicContact CG-CD2 4.01Å; R484-F488 HydrophobicContact CG-CE2 4.41Å; R484-F488 WeakPolarHBondContact O-CB 3.38Å; R484-F488 WeakPolarHBondContact O-CD2 3.34Å; R484-F488 PolarHBondContact O-N 2.82Å; C485-F488 CarbonylContact O-C 3.59Å; F488-S490 PolarHBondContact O-N 2.97Å
489S93.6Very high94.2Very high30 Ų3051.4 Ų51.421%0.2129%0.286CS..  trans-61134.3-178.11760000111.3C485 H486 L487 T491 C492 C493C485-S489 VanDerWaalsContact O-CA 3.32Å; C485-S489 WeakPolarHBondContact O-CA 3.48Å; C485-S489 WeakPolarHBondContact O-CB 3.47Å; C485-S489 PolarHBondContact O-N 3.26Å; H486-S489 VanDerWaalsContact O-CB 3.32Å; H486-S489 WeakPolarHBondContact O-CB 3.34Å; H486-S489 PolarHBondContact O-N 2.8Å; L487-S489 VanDerWaalsContact C-N 3.29Å; S489-T491 PolarHBondContact O-N 3.05Å; S489-T491 PolarHBondContact OG-N 2.9Å; S489-T491 PolarHBondContact OG-OG1 3.18Å; S489-C492 PolarHBondContact O-N 3.12Å; S489-C493 WeakPolarHBondContact O-CB 3.38Å; S489-C493 PolarHBondContact O-N 3.43Å
490S90Very high94.1Very high104 Ų10453 Ų5373%0.72729%0.288SS*.THydrogen-bonded Turntrans-60.8-15.1175.656.20000113.7F488 C492F488-S490 PolarHBondContact O-N 2.97Å; S490-C492 VanDerWaalsContact C-N 3.32Å
491T90.8Very high94Very high99 Ų9953 Ų5361%0.60729%0.287SS*.THydrogen-bonded Turntrans-72-25.1174.660.40000113.6S489S489-T491 PolarHBondContact O-N 3.05Å; S489-T491 PolarHBondContact OG-N 2.9Å; S489-T491 PolarHBondContact OG-OG1 3.18Å
492C91.5Very high93.9Very high16 Ų1651.9 Ų51.911%0.10829%0.286CS..THydrogen-bonded Turntrans-128.6-14.5-176.2-56.90000112.8Y408 I409 R410 S489 S490Y408-C492 CarbonylContact C-O 3.59Å; Y408-C492 WeakPolarHBondContact CA-O 3.37Å; Y408-C492 HydrophobicContact CD2-CB 4Å; Y408-C492 HydrophobicContact CE2-CB 3.59Å; I409-C492 CarbonylContact C-O 3.56Å; I409-C492 PolarHBondContact N-O 3.4Å; I409-C492 WeakPolarHBondContact O-CA 3.44Å; I409-C492 VanDerWaalsContact O-O 3.07Å; R410-C492 HydrophobicContact CB-CB 4.38Å; S489-C492 PolarHBondContact O-N 3.12Å; S490-C492 VanDerWaalsContact C-N 3.32Å
493C94.1Very high93.7Very high4 Ų456.8 Ų56.83%0.02730%0.3CS..EExtended strand (participates in β ladder)trans-114.5120.5-176.9-66.30000110.5L359 E407 L487 S489L359-C493 HydrophobicContact CD1-CB 4.25Å; L359-C493 WeakPolarHBondContact CD1-SG 3.12Å; E407-C493 WeakPolarHBondContact O-CA 3.22Å; L487-C493 PolarHBondContact O-SG 3.45Å; S489-C493 WeakPolarHBondContact O-CB 3.38Å; S489-C493 PolarHBondContact O-N 3.43Å
494Y94.3Very high93.3Very high115 Ų11560.4 Ų60.445%0.45132%0.317SS..EExtended strand (participates in β ladder)trans-106.9128.3-178.1-63.9-88.3000110Y406 E407 I409 I496Y406-Y494 VanDerWaalsContact CA-O 3.29Å; Y406-Y494 WeakPolarHBondContact CA-O 3.36Å; E407-Y494 PolarHBondContact N-O 3.5Å; E407-Y494 PolarHBondContact O-N 3.13Å; I409-Y494 HydrophobicContact CB-CD2 3.91Å; I409-Y494 HydrophobicContact CB-CE2 3.85Å; I409-Y494 HydrophobicContact CD1-CD2 4.04Å; I409-Y494 HydrophobicContact CG1-CD2 4.22Å; Y494-I496 PolarHBondContact O-N 3.39Å
495P95.3Very high92.8Very high94 Ų9464.6 Ų64.661%0.6135%0.345SS*.EExtended strand (participates in β ladder)trans-63.9137174.627.5-33.5000109.8I405 Y406I405-P495 WeakPolarHBondContact O-CA 3.38Å; Y406-P495 HydrophobicContact CD1-CB 4.19Å; Y406-P495 HydrophobicContact CE1-CB 4.06Å
496I93.9Very high92.6Very high21 Ų2170.2 Ų70.211%0.10837%0.365CS..  trans-129.6144.2-179.452153.8000111.3L386 I405 E407 Y494 L501L386-I496 HydrophobicContact CD2-CD1 3.93Å; I405-I496 HydrophobicContact CB-CD1 4.45Å; I405-I496 HydrophobicContact CB-CG1 4.01Å; I405-I496 HydrophobicContact CG2-CD1 3.6Å; I405-I496 HydrophobicContact CG2-CG1 3.66Å; I405-I496 WeakPolarHBondContact O-CG1 3.46Å; I405-I496 PolarHBondContact O-N 2.79Å; E407-I496 HydrophobicContact CB-CD1 4.49Å; E407-I496 HydrophobicContact CB-CG2 4.21Å; E407-I496 HydrophobicContact CG-CD1 3.78Å; E407-I496 HydrophobicContact CG-CG1 4.48Å; E407-I496 HydrophobicContact CG-CG2 4.36Å; Y494-I496 PolarHBondContact O-N 3.39Å; I496-L501 HydrophobicContact CD1-CD1 3.96Å; I496-L501 HydrophobicContact CD1-CD2 3.73Å; I496-L501 HydrophobicContact CD1-CG 3.97Å
497T92.8Very high92.3Very high73 Ų7368.3 Ų68.345%0.44836%0.355SS..  trans-108.4157.9175.762.30000111.2N499 Q500 L501T497-N499 PolarHBondContact O-N 3.29Å; T497-Q500 PolarHBondContact O-N 3.13Å; T497-Q500 WeakPolarHBondContact OG1-CB 3.4Å; T497-Q500 VanDerWaalsContact OG1-CG 3.28Å; T497-Q500 WeakPolarHBondContact OG1-CG 3.39Å; T497-Q500 PolarHBondContact OG1-N 3.45Å; T497-Q500 PolarHBondContact OG1-OE1 2.93Å; T497-Q500 VanDerWaalsContact OG1-OE1 3.1Å; T497-L501 PolarHBondContact O-N 3.14Å
498L92.7Very high92.1Very high33 Ų3369.8 Ų69.817%0.17336%0.36CS..Hα-helixtrans-54-42.4173.3175.457.4000111.8I387 L390 Q391 L501 I502I387-L498 HydrophobicContact CG2-CD1 4.06Å; L390-L498 HydrophobicContact CB-CB 4.35Å; L390-L498 HydrophobicContact CB-CD1 3.98Å; L390-L498 HydrophobicContact CB-CD2 4.48Å; L390-L498 HydrophobicContact CB-CG 4.5Å; Q391-L498 HydrophobicContact CG-CD1 3.98Å; Q391-L498 HydrophobicContact CG-CD2 4.09Å; L498-L501 PolarHBondContact O-N 3.17Å; L498-I502 HydrophobicContact CD1-CD1 3.71Å; L498-I502 HydrophobicContact CD1-CG1 4.06Å; L498-I502 HydrophobicContact CG-CD1 3.84Å; L498-I502 VanDerWaalsContact O-CG1 3.31Å; L498-I502 WeakPolarHBondContact O-CG1 3.37Å; L498-I502 PolarHBondContact O-N 3.05Å
499N93.1Very high91.8Very high99 Ų9968.6 Ų68.653%0.52936%0.355SS..Hα-helixtrans-61.6-48.6178.3-73.5-13000111.6T497 L501 I502 Y503T497-N499 PolarHBondContact O-N 3.29Å; N499-L501 VanDerWaalsContact C-N 3.32Å; N499-L501 PolarHBondContact O-N 3.25Å; N499-I502 PolarHBondContact O-N 2.88Å; N499-I502 VanDerWaalsContact O-N 3.1Å; N499-Y503 HydrophobicContact CB-CD2 4.14Å; N499-Y503 HydrophobicContact CB-CE2 4Å; N499-Y503 WeakPolarHBondContact O-CD2 3.49Å; N499-Y503 PolarHBondContact O-N 2.99Å
500Q93.3Very high91.6Very high92 Ų9268.9 Ų68.943%0.4336%0.356SS..Hα-helixtrans-58.9-43.5176.8-74.6164.9-27.700112T497 I502 Y503 Q504T497-Q500 PolarHBondContact O-N 3.13Å; T497-Q500 WeakPolarHBondContact OG1-CB 3.4Å; T497-Q500 VanDerWaalsContact OG1-CG 3.28Å; T497-Q500 WeakPolarHBondContact OG1-CG 3.39Å; T497-Q500 PolarHBondContact OG1-N 3.45Å; T497-Q500 PolarHBondContact OG1-OE1 2.93Å; T497-Q500 VanDerWaalsContact OG1-OE1 3.1Å; Q500-I502 VanDerWaalsContact C-N 3.27Å; Q500-I502 PolarHBondContact O-N 3.4Å; Q500-Y503 PolarHBondContact O-N 3.45Å; Q500-Q504 WeakPolarHBondContact O-CB 3.39Å; Q500-Q504 VanDerWaalsContact O-CG 3.31Å; Q500-Q504 WeakPolarHBondContact O-CG 3.43Å; Q500-Q504 PolarHBondContact O-N 3.27Å
501L93.6Very high91.5Very high1 Ų169 Ų691%0.00535%0.353CS..Hα-helixtrans-59.7-39.8176.1-74176.5000112R383 L386 I387 L390 I496 T497 L498 N499 R508R383-L501 HydrophobicContact CG-CD2 4.2Å; L386-L501 HydrophobicContact CD2-CD1 4.02Å; L386-L501 HydrophobicContact CG-CD1 4.17Å; I387-L501 HydrophobicContact CD1-CB 4.08Å; I387-L501 HydrophobicContact CG1-CB 3.82Å; I387-L501 HydrophobicContact CG1-CD1 3.98Å; I387-L501 HydrophobicContact CG1-CG 4.47Å; L390-L501 HydrophobicContact CD1-CD1 3.65Å; I496-L501 HydrophobicContact CD1-CD1 3.96Å; I496-L501 HydrophobicContact CD1-CD2 3.73Å; I496-L501 HydrophobicContact CD1-CG 3.97Å; T497-L501 PolarHBondContact O-N 3.14Å; L498-L501 PolarHBondContact O-N 3.17Å; N499-L501 VanDerWaalsContact C-N 3.32Å; N499-L501 PolarHBondContact O-N 3.25Å; L501-R508 WeakPolarHBondContact O-CD 3.43Å
502I92.3Very high91.3Very high51 Ų5171.4 Ų71.426%0.26235%0.351SS..Hα-helixtrans-69.6-46.8179.8-72.1170.2000111.7I387 L498 N499 Q500 R508I387-I502 HydrophobicContact CG2-CG1 4.37Å; L498-I502 HydrophobicContact CD1-CD1 3.71Å; L498-I502 HydrophobicContact CD1-CG1 4.06Å; L498-I502 HydrophobicContact CG-CD1 3.84Å; L498-I502 VanDerWaalsContact O-CG1 3.31Å; L498-I502 WeakPolarHBondContact O-CG1 3.37Å; L498-I502 PolarHBondContact O-N 3.05Å; N499-I502 PolarHBondContact O-N 2.88Å; N499-I502 VanDerWaalsContact O-N 3.1Å; Q500-I502 VanDerWaalsContact C-N 3.27Å; Q500-I502 PolarHBondContact O-N 3.4Å; I502-R508 PolarHBondContact O-NH1 2.9Å
503Y91.7Very high91Very high178 Ų17871 Ų7170%0.69835%0.349SS*.Hα-helixtrans-75.2-25.1-174.7-71.8-60.4000114N499 Q500 T505N499-Y503 HydrophobicContact CB-CD2 4.14Å; N499-Y503 HydrophobicContact CB-CE2 4Å; N499-Y503 WeakPolarHBondContact O-CD2 3.49Å; N499-Y503 PolarHBondContact O-N 2.99Å; Q500-Y503 PolarHBondContact O-N 3.45Å; Y503-T505 PolarHBondContact O-N 2.94Å
504Q89.1Confident90.8Very high89 Ų8974.8 Ų74.842%0.41636%0.362SS..  trans-7572.8174-74.7-178.5-7.600111.5R383 Q500 K506 Y507R383-Q504 VanDerWaalsContact NH2-CB 3.3Å; Q500-Q504 WeakPolarHBondContact O-CB 3.39Å; Q500-Q504 VanDerWaalsContact O-CG 3.31Å; Q500-Q504 WeakPolarHBondContact O-CG 3.43Å; Q500-Q504 PolarHBondContact O-N 3.27Å; Q504-K506 VanDerWaalsContact C-N 3.25Å; Q504-K506 PolarHBondContact O-N 3.44Å; Q504-Y507 PolarHBondContact O-N 2.85Å
505T86.4Confident90.5Very high111 Ų11176.5 Ų76.568%0.68137%0.372SS*.G310 helixtrans-58.6-31.5-174.155.60000114.2Y503 Y507 R508Y503-T505 PolarHBondContact O-N 2.94Å; T505-Y507 PolarHBondContact O-N 3.21Å; T505-Y507 VanDerWaalsContact O-N 3.14Å; T505-R508 WeakPolarHBondContact O-CB 3.32Å; T505-R508 PolarHBondContact O-N 2.79Å
506K89.1Confident90Very high160 Ų16074.8 Ų74.870%0.69636%0.358SS*.G310 helixtrans-54.1-32.9178.1-178-176176.4-168.70113.5Q504Q504-K506 VanDerWaalsContact C-N 3.25Å; Q504-K506 PolarHBondContact O-N 3.44Å
507Y89.3Confident89.7Confident37 Ų3773.9 Ų73.915%0.14535%0.353CS..G310 helixtrans-10919.1-177.3-58.9-52.6000112.8P363 M364 R383 Q504 T505P363-Y507 HydrophobicContact CB-CD1 4.03Å; P363-Y507 HydrophobicContact CB-CG 4.35Å; P363-Y507 HydrophobicContact CG-CD1 4.47Å; P363-Y507 HydrophobicContact CG-CG 4.31Å; M364-Y507 HydrophobicContact CG-CE1 4.37Å; M364-Y507 HydrophobicContact SD-CE2 4.45Å; M364-Y507 PolarHBondContact SD-OH 3.06Å; R383-Y507 WeakPolarHBondContact CD-O 3.21Å; Q504-Y507 PolarHBondContact O-N 2.85Å; T505-Y507 PolarHBondContact O-N 3.21Å; T505-Y507 VanDerWaalsContact O-N 3.14Å
508R91.1Very high89.5Confident34 Ų3474.6 Ų74.613%0.12836%0.359CS..SBendtrans-86.5147.4171.3-62.9-65.9-57.2-10712.2110.1E384 L501 I502 T505E384-R508 WeakPolarHBondContact OE1-CA 3.43Å; E384-R508 IonicContact OE1-CZ 2.68Å; E384-R508 IonicContact OE1-NE 3.34Å; E384-R508 PolarHBondContact OE1-NE 3.39Å; E384-R508 IonicContact OE1-NH2 3.47Å; E384-R508 IonicContact OE2-CZ 2.78Å; E384-R508 IonicContact OE2-NE 2.67Å; E384-R508 PolarHBondContact OE2-NE 3.29Å; E384-R508 IonicContact OE2-NH2 3.73Å; E384-R508 PolarHBondContact OE2-NH2 3.47Å; L501-R508 WeakPolarHBondContact O-CD 3.43Å; I502-R508 PolarHBondContact O-NH1 2.9Å; T505-R508 WeakPolarHBondContact O-CB 3.32Å; T505-R508 PolarHBondContact O-N 2.79Å
509L89.2Confident89.2Confident0 Ų077.6 Ų77.60%037%0.374CS..PPolyproline II helixtrans-65.1131.9165-168.465.4000107.7Y377 L380 E384 V513 R514 L517Y377-L509 HydrophobicContact CD1-CD1 3.99Å; Y377-L509 HydrophobicContact CG-CD1 4.26Å; L380-L509 HydrophobicContact CB-CB 4.26Å; L380-L509 HydrophobicContact CB-CD1 4.05Å; E384-L509 HydrophobicContact CG-CB 3.34Å; E384-L509 HydrophobicContact CG-CD2 4.26Å; E384-L509 HydrophobicContact CG-CG 4.45Å; E384-L509 PolarHBondContact OE1-N 3.21Å; L509-V513 HydrophobicContact CD1-CB 4.01Å; L509-V513 HydrophobicContact CD1-CG1 3.7Å; L509-V513 HydrophobicContact CD2-CB 4.29Å; L509-V513 HydrophobicContact CD2-CG1 4.07Å; L509-V513 HydrophobicContact CG-CB 3.88Å; L509-V513 HydrophobicContact CG-CG1 3.95Å; L509-R514 HydrophobicContact CB-CG 4.11Å; L509-R514 HydrophobicContact CD2-CG 4.13Å; L509-R514 HydrophobicContact CG-CG 4.27Å; L509-R514 PolarHBondContact O-NE 3.06Å; L509-R514 PolarHBondContact O-NH2 3.45Å; L509-L517 HydrophobicContact CD2-CB 4.44Å; L509-L517 HydrophobicContact CD2-CD1 4.35Å
510P89.9Confident88.7Confident35 Ų3574.2 Ų74.223%0.22736%0.355CS..PPolyproline II helixtrans-55.6144177.3-24.333.2000111.1Y377 Y512 V513 R514Y377-P510 HydrophobicContact CD1-CG 4.39Å; Y377-P510 HydrophobicContact CE1-CG 3.78Å; P510-Y512 HydrophobicContact CB-CD1 3.66Å; P510-Y512 HydrophobicContact CB-CE1 3.24Å; P510-Y512 HydrophobicContact CB-CE2 4.49Å; P510-Y512 HydrophobicContact CB-CG 4.44Å; P510-Y512 HydrophobicContact CG-CE1 4.06Å; P510-Y512 PolarHBondContact O-N 2.97Å; P510-V513 HydrophobicContact CB-CG2 4.2Å; P510-V513 HydrophobicContact CG-CG2 4.37Å; P510-V513 WeakPolarHBondContact O-CA 3.5Å; P510-V513 PolarHBondContact O-N 3.43Å; P510-R514 PolarHBondContact O-N 2.65Å; P510-R514 VanDerWaalsContact O-N 3.17Å
511V87.4Confident88.5Confident108 Ų10871.2 Ų71.266%0.65534%0.339SS*.Hα-helixtrans-55.4-41.4-174.2177.90000111.6V513 R514V511-V513 PolarHBondContact O-N 2.96Å; V511-V513 VanDerWaalsContact O-N 3.13Å; V511-R514 PolarHBondContact O-N 3.14Å; V511-R514 VanDerWaalsContact O-N 3.13Å
512Y86.2Confident88.1Confident148 Ų14876.9 Ų76.958%0.5836%0.361SS*.Hα-helixtrans-68-5.9176.371.2-94.4000114.3Y377 P510 F515Y377-Y512 PolarHBondContact OH-OH 3.49Å; Y377-Y512 VanDerWaalsContact OH-OH 3.13Å; P510-Y512 HydrophobicContact CB-CD1 3.66Å; P510-Y512 HydrophobicContact CB-CE1 3.24Å; P510-Y512 HydrophobicContact CB-CE2 4.49Å; P510-Y512 HydrophobicContact CB-CG 4.44Å; P510-Y512 HydrophobicContact CG-CE1 4.06Å; P510-Y512 PolarHBondContact O-N 2.97Å; Y512-F515 WeakPolarHBondContact O-CD1 3.48Å; Y512-F515 WeakPolarHBondContact O-CE1 3.41Å
513V86.8Confident87.6Confident9 Ų978.7 Ų78.76%0.05537%0.365CS..Hα-helixtrans-107.2-18.5173.8-172.70000110.8L509 P510 V511 F515 L516 F520L509-V513 HydrophobicContact CD1-CB 4.01Å; L509-V513 HydrophobicContact CD1-CG1 3.7Å; L509-V513 HydrophobicContact CD2-CB 4.29Å; L509-V513 HydrophobicContact CD2-CG1 4.07Å; L509-V513 HydrophobicContact CG-CB 3.88Å; L509-V513 HydrophobicContact CG-CG1 3.95Å; P510-V513 HydrophobicContact CB-CG2 4.2Å; P510-V513 HydrophobicContact CG-CG2 4.37Å; P510-V513 WeakPolarHBondContact O-CA 3.5Å; P510-V513 PolarHBondContact O-N 3.43Å; V511-V513 PolarHBondContact O-N 2.96Å; V511-V513 VanDerWaalsContact O-N 3.13Å; V513-F515 VanDerWaalsContact C-N 3.25Å; V513-F515 PolarHBondContact O-N 3.18Å; V513-L516 WeakPolarHBondContact O-CB 3.33Å; V513-L516 PolarHBondContact O-N 2.66Å; V513-F520 HydrophobicContact CG1-CE2 3.62Å; V513-F520 HydrophobicContact CG1-CZ 4.3Å
514R89.1Confident86.9Confident82 Ų8271.4 Ų71.431%0.30934%0.338SS..Hα-helixtrans-63.2-28.2-179.9-67.8-177.6-165.91674.4113.6E384 L509 P510 V511 L516 L517E384-R514 IonicContact OE1-CZ 3.61Å; E384-R514 IonicContact OE1-NE 3.39Å; E384-R514 IonicContact OE1-NH2 3.48Å; E384-R514 IonicContact OE2-NE 3.91Å; L509-R514 HydrophobicContact CB-CG 4.11Å; L509-R514 HydrophobicContact CD2-CG 4.13Å; L509-R514 HydrophobicContact CG-CG 4.27Å; L509-R514 PolarHBondContact O-NE 3.06Å; L509-R514 PolarHBondContact O-NH2 3.45Å; P510-R514 PolarHBondContact O-N 2.65Å; P510-R514 VanDerWaalsContact O-N 3.17Å; V511-R514 PolarHBondContact O-N 3.14Å; V511-R514 VanDerWaalsContact O-N 3.13Å; R514-L516 PolarHBondContact O-N 3.25Å; R514-L517 WeakPolarHBondContact O-CB 3.43Å; R514-L517 PolarHBondContact O-N 2.95Å
515F87.6Confident86.8Confident151 Ų15170.6 Ų70.666%0.66233%0.334SS*.THydrogen-bonded Turntrans-64.2-24174.376.2-103.2000112.5Y512 V513Y512-F515 WeakPolarHBondContact O-CD1 3.48Å; Y512-F515 WeakPolarHBondContact O-CE1 3.41Å; V513-F515 VanDerWaalsContact C-N 3.25Å; V513-F515 PolarHBondContact O-N 3.18Å
516L86.3Confident86.8Confident58 Ų5868.4 Ų68.430%0.30432%0.316SS..THydrogen-bonded Turntrans-86-6.3174.1-62.4175.5000112.8V513 R514 I519 F520V513-L516 WeakPolarHBondContact O-CB 3.33Å; V513-L516 PolarHBondContact O-N 2.66Å; R514-L516 PolarHBondContact O-N 3.25Å; L516-I519 HydrophobicContact CD2-CD1 4Å; L516-I519 WeakPolarHBondContact O-CA 3.39Å; L516-I519 WeakPolarHBondContact O-CB 3.25Å; L516-I519 PolarHBondContact O-N 3.17Å; L516-F520 HydrophobicContact CB-CD2 3.83Å; L516-F520 HydrophobicContact CB-CE2 3.5Å; L516-F520 VanDerWaalsContact CB-CE2 3.5Å; L516-F520 HydrophobicContact CB-CZ 4.29Å; L516-F520 HydrophobicContact CD1-CE2 4.22Å; L516-F520 HydrophobicContact CD1-CZ 4.37Å; L516-F520 VanDerWaalsContact O-CD2 3.28Å; L516-F520 WeakPolarHBondContact O-CD2 3.46Å; L516-F520 PolarHBondContact O-N 2.73Å
517L87.6Confident86.7Confident3 Ų363.3 Ų63.32%0.01630%0.295CS..Hα-helixtrans-56.7-42.3-176.5-176.460.6000113.2A381 E384 L509 R514 I519 F520 R521A381-L517 HydrophobicContact CB-CD1 4.06Å; E384-L517 HydrophobicContact CB-CD1 4.35Å; E384-L517 HydrophobicContact CB-CD2 3.58Å; E384-L517 HydrophobicContact CG-CD2 4.46Å; L509-L517 HydrophobicContact CD2-CB 4.44Å; L509-L517 HydrophobicContact CD2-CD1 4.35Å; R514-L517 WeakPolarHBondContact O-CB 3.43Å; R514-L517 PolarHBondContact O-N 2.95Å; L517-I519 VanDerWaalsContact C-N 3.25Å; L517-I519 PolarHBondContact O-N 3.45Å; L517-F520 PolarHBondContact O-N 3.18Å; L517-R521 HydrophobicContact CD1-CG 3.98Å; L517-R521 HydrophobicContact CG-CG 4.14Å; L517-R521 WeakPolarHBondContact O-CB 3.45Å; L517-R521 VanDerWaalsContact O-CG 3.29Å; L517-R521 WeakPolarHBondContact O-CG 2.95Å; L517-R521 PolarHBondContact O-N 3.11Å
518P88.2Confident86.6Confident88 Ų8864.9 Ų64.957%0.57130%0.303SS*.Hα-helixtrans-58.5-37.9175.3-25.235.8000113.1R521 W522P518-R521 PolarHBondContact O-N 2.98Å; P518-W522 PolarHBondContact O-N 2.78Å
519I85.3Confident86.3Confident95 Ų9566.8 Ų66.849%0.48731%0.314SS..Hα-helixtrans-67.4-48.8176-60.8173.5000109.4L516 L517 R521 W522 Y523L516-I519 HydrophobicContact CD2-CD1 4Å; L516-I519 WeakPolarHBondContact O-CA 3.39Å; L516-I519 WeakPolarHBondContact O-CB 3.25Å; L516-I519 PolarHBondContact O-N 3.17Å; L517-I519 VanDerWaalsContact C-N 3.25Å; L517-I519 PolarHBondContact O-N 3.45Å; I519-R521 VanDerWaalsContact C-N 3.3Å; I519-R521 PolarHBondContact O-N 3.07Å; I519-W522 PolarHBondContact O-N 3.39Å; I519-W522 VanDerWaalsContact O-N 3.14Å; I519-Y523 HydrophobicContact CG2-CD2 3.78Å; I519-Y523 HydrophobicContact CG2-CE2 3.96Å; I519-Y523 VanDerWaalsContact O-CD2 3.23Å; I519-Y523 WeakPolarHBondContact O-CD2 3.24Å; I519-Y523 PolarHBondContact O-N 2.88Å
520F83.9Confident86.1Confident28 Ų2871.3 Ų71.312%0.12334%0.335CS..Hα-helixtrans-56.4-45.3175.7-74.7-50.8000111.9W152 V513 L516 L517 W522 Y523 M524W152-F520 HydrophobicContact CH2-CE1 4.28Å; V513-F520 HydrophobicContact CG1-CE2 3.62Å; V513-F520 HydrophobicContact CG1-CZ 4.3Å; L516-F520 HydrophobicContact CB-CD2 3.83Å; L516-F520 HydrophobicContact CB-CE2 3.5Å; L516-F520 VanDerWaalsContact CB-CE2 3.5Å; L516-F520 HydrophobicContact CB-CZ 4.29Å; L516-F520 HydrophobicContact CD1-CE2 4.22Å; L516-F520 HydrophobicContact CD1-CZ 4.37Å; L516-F520 VanDerWaalsContact O-CD2 3.28Å; L516-F520 WeakPolarHBondContact O-CD2 3.46Å; L516-F520 PolarHBondContact O-N 2.73Å; L517-F520 PolarHBondContact O-N 3.18Å; F520-W522 VanDerWaalsContact C-N 3.3Å; F520-W522 PolarHBondContact O-N 3.43Å; F520-Y523 PolarHBondContact O-N 2.97Å; F520-M524 HydrophobicContact CB-CE 3.65Å; F520-M524 HydrophobicContact CD1-CE 3.3Å; F520-M524 HydrophobicContact CE1-CE 4.15Å; F520-M524 HydrophobicContact CG-CE 3.7Å; F520-M524 WeakPolarHBondContact O-CB 3.24Å; F520-M524 WeakPolarHBondContact O-CG 3.43Å; F520-M524 PolarHBondContact O-N 3.12Å
521R87.4Confident85.8Confident29 Ų2973.9 Ų73.911%0.10934%0.343CS..Hα-helixtrans-62.2-36177.9-72-172.767.1-171.9-5.7112.3N335 L336 E341 A385 Y456 L517 P518 I519 Y523 M524N335-R521 WeakPolarHBondContact ND2-CA 3.47Å; N335-R521 PolarHBondContact ND2-O 3.04Å; N335-R521 VanDerWaalsContact OD1-CG 3.28Å; N335-R521 WeakPolarHBondContact OD1-CG 3.33Å; N335-R521 PolarHBondContact OD1-NE 3.41Å; L336-R521 PolarHBondContact O-NH2 3.28Å; E341-R521 IonicContact OE1-CZ 3.86Å; E341-R521 IonicContact OE1-NH1 3.75Å; E341-R521 PolarHBondContact OE1-NH1 3.33Å; E341-R521 IonicContact OE1-NH2 2.92Å; E341-R521 PolarHBondContact OE1-NH2 2.99Å; A385-R521 HydrophobicContact CB-CG 4.5Å; Y456-R521 VanDerWaalsContact CB-O 3.29Å; Y456-R521 WeakPolarHBondContact CB-O 3.21Å; Y456-R521 WeakPolarHBondContact CD2-O 3.43Å; Y456-R521 HydrophobicContact CE2-CB 4.47Å; L517-R521 HydrophobicContact CD1-CG 3.98Å; L517-R521 HydrophobicContact CG-CG 4.14Å; L517-R521 WeakPolarHBondContact O-CB 3.45Å; L517-R521 VanDerWaalsContact O-CG 3.29Å; L517-R521 WeakPolarHBondContact O-CG 2.95Å; L517-R521 PolarHBondContact O-N 3.11Å; P518-R521 PolarHBondContact O-N 2.98Å; I519-R521 VanDerWaalsContact C-N 3.3Å; I519-R521 PolarHBondContact O-N 3.07Å; R521-Y523 VanDerWaalsContact C-N 3.28Å; R521-Y523 PolarHBondContact O-N 3.32Å; R521-M524 VanDerWaalsContact O-OXT 3.07Å
522W86.4Confident85.7Confident120 Ų12071.2 Ų71.246%0.45532%0.319SS..Hα-helixtrans-70.4-26.4178.8-175.4-106.2000113.6Y456 P518 I519 F520Y456-W522 AromaticContact CD1-CE3 3.56Å; Y456-W522 HydrophobicContact CD1-CE3 3.56Å; Y456-W522 AromaticContact CD1-CZ3 3.73Å; Y456-W522 HydrophobicContact CD1-CZ3 3.73Å; Y456-W522 AromaticContact CE1-CE3 3.78Å; Y456-W522 HydrophobicContact CE1-CE3 3.78Å; Y456-W522 AromaticContact CE1-CZ3 3.81Å; Y456-W522 HydrophobicContact CE1-CZ3 3.81Å; Y456-W522 HydrophobicContact CG-CE3 4.39Å; P518-W522 PolarHBondContact O-N 2.78Å; I519-W522 PolarHBondContact O-N 3.39Å; I519-W522 VanDerWaalsContact O-N 3.14Å; F520-W522 VanDerWaalsContact C-N 3.3Å; F520-W522 PolarHBondContact O-N 3.43Å
523Y81.7Confident85.6Confident89 Ų8964.8 Ų64.835%0.34930%0.297SS..Hα-helixtrans-108.8-5.4-171.8-75.8-63000114.1I155 I519 F520 R521I155-Y523 HydrophobicContact CG2-CD1 3.1Å; I155-Y523 HydrophobicContact CG2-CE1 3.91Å; I155-Y523 HydrophobicContact CG2-CG 3.54Å; I519-Y523 HydrophobicContact CG2-CD2 3.78Å; I519-Y523 HydrophobicContact CG2-CE2 3.96Å; I519-Y523 VanDerWaalsContact O-CD2 3.23Å; I519-Y523 WeakPolarHBondContact O-CD2 3.24Å; I519-Y523 PolarHBondContact O-N 2.88Å; F520-Y523 PolarHBondContact O-N 2.97Å; R521-Y523 VanDerWaalsContact C-N 3.28Å; R521-Y523 PolarHBondContact O-N 3.32Å
524M77.4Confident85.5Confident26 Ų2669.9 Ų69.913%0.12832%0.319CS..  trans-113.40172-63.1-174.1-147.300110.9N335 I378 A381 Y382 S455 R457 F520 R521N335-M524 PolarHBondContact ND2-OXT 2.91Å; I378-M524 HydrophobicContact CB-SD 4.48Å; I378-M524 HydrophobicContact CG1-CE 3.95Å; I378-M524 HydrophobicContact CG1-SD 4.2Å; I378-M524 HydrophobicContact CG2-SD 4.05Å; A381-M524 HydrophobicContact CB-CE 4.36Å; Y382-M524 HydrophobicContact CE1-CB 3.93Å; Y382-M524 HydrophobicContact CE1-SD 4.08Å; Y382-M524 HydrophobicContact CE2-SD 4.48Å; S455-M524 WeakPolarHBondContact CB-O 2.98Å; S455-M524 PolarHBondContact OG-O 3.04Å; R457-M524 WeakPolarHBondContact CB-O 3.33Å; F520-M524 HydrophobicContact CB-CE 3.65Å; F520-M524 HydrophobicContact CD1-CE 3.3Å; F520-M524 HydrophobicContact CE1-CE 4.15Å; F520-M524 HydrophobicContact CG-CE 3.7Å; F520-M524 WeakPolarHBondContact O-CB 3.24Å; F520-M524 WeakPolarHBondContact O-CG 3.43Å; F520-M524 PolarHBondContact O-N 3.12Å; R521-M524 VanDerWaalsContact O-OXT 3.07Å

Retrieved 524 of 524 residues in 561.3 ms (Link to these results)

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