A0A3Q0KN94_SCHMA Loading...

2-phosphoxylose phosphatase 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KN94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 423 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
1M44.9Very low80.8Confident149 Ų14963.9 Ų63.973%0.73432%0.323SS*.  0-6.70-94.3-163.6-82.500113.6N3 S4M1-N3 PolarHBondContact O-N 3.49Å; M1-S4 PolarHBondContact O-N 2.93Å; M1-S4 PolarHBondContact O-OG 3.01Å; M1-S4 VanDerWaalsContact O-OG 3.14Å
2E48.7Very low82.3Confident116 Ų11658.6 Ų58.654%0.54230%0.297SS..G310 helixtrans-46.8-29.4159.5-96.9-179.3149.500111.4S4 M5 R376E2-S4 PolarHBondContact O-N 2.82Å; E2-M5 PolarHBondContact O-N 3Å; E2-R376 IonicContact OE1-CZ 3.97Å; E2-R376 IonicContact OE1-NH1 2.76Å; E2-R376 PolarHBondContact OE1-NH1 3.16Å
3N53.8Low83.6Confident170 Ų17054.2 Ų54.291%0.90927%0.274SS*.G310 helixtrans-58.1-7.9172.1-72.211.7000117.5M1M1-N3 PolarHBondContact O-N 3.49Å
4S74.4Confident84.7Confident59 Ų5950.4 Ų50.441%0.41326%0.255SS..G310 helixtrans-97.9-14.6176.965.70000114.4M1 E2M1-S4 PolarHBondContact O-N 2.93Å; M1-S4 PolarHBondContact O-OG 3.01Å; M1-S4 VanDerWaalsContact O-OG 3.14Å; E2-S4 PolarHBondContact O-N 2.82Å
5M87.1Confident85.6Confident18 Ų1847.1 Ų47.19%0.08924%0.238CC..  trans-109.9137.7-177.9-77.7-168.6-76.500112.2E2 Y331 T332 T333 W374 L400 F405E2-M5 PolarHBondContact O-N 3Å; M5-Y331 HydrophobicContact CB-CD1 3.98Å; M5-T332 CarbonylContact C-O 3.59Å; M5-T332 VanDerWaalsContact CA-O 3.25Å; M5-T332 WeakPolarHBondContact CA-O 3.24Å; M5-T333 HydrophobicContact CG-CG2 3.6Å; M5-T333 HydrophobicContact SD-CG2 3.84Å; M5-W374 HydrophobicContact SD-CB 3.77Å; M5-W374 HydrophobicContact SD-CD2 4.32Å; M5-W374 HydrophobicContact SD-CG 3.72Å; M5-L400 HydrophobicContact CE-CD1 3.37Å; M5-L400 HydrophobicContact CE-CD2 3.38Å; M5-L400 HydrophobicContact CE-CG 3.98Å; M5-L400 HydrophobicContact SD-CD1 4.18Å; M5-F405 HydrophobicContact CE-CB 4.47Å; M5-F405 HydrophobicContact CE-CD1 3.7Å; M5-F405 HydrophobicContact CE-CD2 4.2Å; M5-F405 HydrophobicContact CE-CE1 3.84Å; M5-F405 HydrophobicContact CE-CE2 4.33Å; M5-F405 HydrophobicContact CE-CG 3.87Å; M5-F405 HydrophobicContact CE-CZ 4.17Å; M5-F405 HydrophobicContact SD-CD1 4.39Å
6K91.9Very high86.4Confident143 Ų14344.2 Ų44.262%0.62222%0.223SC*.EExtended strand (participates in β ladder)trans-97.9126.6175.5179.9180177-177.70109.8L8 Y331 T332K6-L8 HydrophobicContact CD-CD2 4.41Å; K6-L8 HydrophobicContact CG-CD2 4.47Å; K6-Y331 CarbonylContact O-C 3.55Å; K6-Y331 VanDerWaalsContact O-CA 3.25Å; K6-Y331 WeakPolarHBondContact O-CA 3.31Å; K6-T332 HydrophobicContact CB-CG2 4.09Å; K6-T332 PolarHBondContact N-O 2.82Å; K6-T332 PolarHBondContact O-N 3.43Å
7L95.6Very high87.1Confident22 Ų2241.6 Ų41.612%0.11521%0.21CC..EExtended strand (participates in β ladder)trans-67.7129.5170.1-178.561.6000109.4V10 Y102 F108 E329 L330 Y331L7-V10 HydrophobicContact CD1-CG2 4.02Å; L7-V10 HydrophobicContact CD2-CG2 3.83Å; L7-V10 HydrophobicContact CG-CG2 4.22Å; L7-Y102 HydrophobicContact CD2-CD1 3.97Å; L7-Y102 HydrophobicContact CD2-CE1 4.02Å; L7-F108 HydrophobicContact CB-CD2 3.98Å; L7-F108 HydrophobicContact CB-CE2 4.17Å; L7-F108 HydrophobicContact CD2-CB 3.95Å; L7-F108 HydrophobicContact CD2-CD1 3.75Å; L7-F108 HydrophobicContact CD2-CD2 3.68Å; L7-F108 HydrophobicContact CD2-CE1 4.12Å; L7-F108 HydrophobicContact CD2-CE2 4.06Å; L7-F108 HydrophobicContact CD2-CG 3.5Å; L7-F108 HydrophobicContact CD2-CZ 4.25Å; L7-F108 HydrophobicContact CG-CD1 4.38Å; L7-F108 HydrophobicContact CG-CD2 3.7Å; L7-F108 HydrophobicContact CG-CE1 4.35Å; L7-F108 HydrophobicContact CG-CE2 3.67Å; L7-F108 HydrophobicContact CG-CG 4.06Å; L7-F108 HydrophobicContact CG-CZ 3.99Å; L7-F108 WeakPolarHBondContact O-CE2 3.01Å; L7-E329 HydrophobicContact CD1-CB 3.82Å; L7-E329 HydrophobicContact CD1-CG 4.24Å; L7-L330 WeakPolarHBondContact CD1-O 3.36Å; L7-Y331 HydrophobicContact CB-CD1 4.09Å; L7-Y331 HydrophobicContact CB-CE1 3.68Å; L7-Y331 HydrophobicContact CD1-CD1 4.41Å; L7-Y331 HydrophobicContact CD1-CD2 4.17Å; L7-Y331 HydrophobicContact CD1-CE1 3.98Å; L7-Y331 HydrophobicContact CD1-CE2 3.75Å; L7-Y331 HydrophobicContact CG-CE1 4.38Å
8L96.4Very high87.8Confident24 Ų2439.4 Ų39.413%0.12620%0.2CC..EExtended strand (participates in β ladder)trans-112.6-40.1-174.8-67175.9000112.7K6 Y289 L330 T332 L373K6-L8 HydrophobicContact CD-CD2 4.41Å; K6-L8 HydrophobicContact CG-CD2 4.47Å; L8-Y289 HydrophobicContact CB-CD2 3.92Å; L8-Y289 HydrophobicContact CB-CE2 4.15Å; L8-Y289 HydrophobicContact CD1-CD2 4.01Å; L8-Y289 HydrophobicContact CD1-CE1 4.18Å; L8-Y289 HydrophobicContact CD1-CE2 3.5Å; L8-Y289 VanDerWaalsContact CD1-CE2 3.5Å; L8-Y289 HydrophobicContact CD2-CD2 4.4Å; L8-Y289 HydrophobicContact CD2-CE2 3.88Å; L8-Y289 HydrophobicContact CG-CD2 4.34Å; L8-Y289 HydrophobicContact CG-CE2 4.05Å; L8-L330 HydrophobicContact CB-CD2 4.43Å; L8-L330 WeakPolarHBondContact CB-O 3.47Å; L8-L330 PolarHBondContact N-O 3.46Å; L8-T332 HydrophobicContact CD1-CG2 3.69Å; L8-T332 HydrophobicContact CD2-CG2 3.87Å; L8-T332 HydrophobicContact CG-CG2 3.9Å; L8-L373 HydrophobicContact CD1-CD2 3.66Å
9Q98.2Very high88.4Confident2 Ų237.5 Ų37.51%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-151.1147.3-178.3-174.6-17370.500110.6Q11 N285 Q294 H296 E329 L330Q9-Q11 HydrophobicContact CG-CG 4.28Å; Q9-N285 PolarHBondContact NE2-O 2.84Å; Q9-N285 PolarHBondContact OE1-O 2.85Å; Q9-Q294 CarbonylContact C-O 3.54Å; Q9-Q294 VanDerWaalsContact CA-O 3.26Å; Q9-Q294 WeakPolarHBondContact CA-O 3.48Å; Q9-H296 PolarHBondContact NE2-NE2 2.85Å; Q9-E329 WeakPolarHBondContact O-CA 3.19Å; Q9-L330 HydrophobicContact CB-CB 4.15Å; Q9-L330 PolarHBondContact N-O 3.22Å; Q9-L330 PolarHBondContact O-N 2.84Å
10V98.8Very high88.9Confident0 Ų035.7 Ų35.70%018%0.181CC..EExtended strand (participates in β ladder)trans-126.7127.8172-178.50000108.7L7 V12 Y102 F108 Q294 F295 H296 I327 F328 E329L7-V10 HydrophobicContact CD1-CG2 4.02Å; L7-V10 HydrophobicContact CD2-CG2 3.83Å; L7-V10 HydrophobicContact CG-CG2 4.22Å; V10-V12 HydrophobicContact CG1-CG2 3.85Å; V10-Y102 HydrophobicContact CB-CE1 4.31Å; V10-Y102 HydrophobicContact CG1-CE1 3.93Å; V10-Y102 HydrophobicContact CG1-CE2 4.05Å; V10-Y102 WeakPolarHBondContact CG1-OH 3.44Å; V10-Y102 HydrophobicContact CG2-CD1 3.8Å; V10-Y102 HydrophobicContact CG2-CE1 3.39Å; V10-F108 HydrophobicContact CB-CE1 4.26Å; V10-F108 HydrophobicContact CG2-CD1 3.99Å; V10-F108 HydrophobicContact CG2-CE1 3.49Å; V10-F108 VanDerWaalsContact CG2-CE1 3.49Å; V10-F108 HydrophobicContact CG2-CZ 4.14Å; V10-Q294 PolarHBondContact N-O 3.11Å; V10-F295 HydrophobicContact CB-CD2 3.59Å; V10-F295 HydrophobicContact CB-CE2 3.74Å; V10-F295 HydrophobicContact CB-CG 4.45Å; V10-F295 HydrophobicContact CG1-CD2 3.94Å; V10-F295 HydrophobicContact CG1-CE2 3.56Å; V10-F295 HydrophobicContact CG1-CZ 4.23Å; V10-F295 HydrophobicContact CG2-CD2 4.05Å; V10-F295 HydrophobicContact CG2-CE2 4.17Å; V10-F295 CarbonylContact O-C 3.55Å; V10-F295 WeakPolarHBondContact O-CA 3.48Å; V10-H296 PolarHBondContact O-N 3.33Å; V10-I327 HydrophobicContact CG1-CG2 3.46Å; V10-I327 VanDerWaalsContact CG1-CG2 3.46Å; V10-F328 CarbonylContact C-O 3.5Å; V10-F328 WeakPolarHBondContact CA-O 3.38Å; V10-E329 HydrophobicContact CG2-CG 4.36Å
11Q98.8Very high89.3Confident0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-119.4114171.5-58-179.956.900109.6Q9 F13 I282 N285 H296 Y298 I327 F328Q9-Q11 HydrophobicContact CG-CG 4.28Å; Q11-F13 HydrophobicContact CB-CE2 4.17Å; Q11-I282 PolarHBondContact NE2-O 2.67Å; Q11-I282 VanDerWaalsContact NE2-O 3.12Å; Q11-N285 VanDerWaalsContact CD-CB 3.47Å; Q11-N285 HydrophobicContact CG-CB 4.5Å; Q11-N285 PolarHBondContact OE1-ND2 3Å; Q11-H296 HydrophobicContact CB-CB 4.36Å; Q11-H296 HydrophobicContact CG-CB 4.15Å; Q11-Y298 HydrophobicContact CB-CE2 4.43Å; Q11-I327 CarbonylContact O-C 3.5Å; Q11-I327 WeakPolarHBondContact O-CA 3.32Å; Q11-F328 HydrophobicContact CB-CB 4.4Å; Q11-F328 PolarHBondContact N-O 3.01Å; Q11-F328 PolarHBondContact O-N 3.22Å
12V98.9Very high91.8Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-105.7116.6-180-174.80000109.1V10 F14 L98 F295 H296 L297 Y298 D325 I327V10-V12 HydrophobicContact CG1-CG2 3.85Å; V12-F14 HydrophobicContact CG1-CB 4.5Å; V12-F14 HydrophobicContact CG1-CD1 4.21Å; V12-L98 HydrophobicContact CG1-CD1 4.45Å; V12-L98 HydrophobicContact CG2-CD1 4.47Å; V12-L98 HydrophobicContact CG2-CD2 4.13Å; V12-F295 HydrophobicContact CG2-CE1 4.31Å; V12-F295 HydrophobicContact CG2-CZ 3.98Å; V12-H296 PolarHBondContact N-O 2.94Å; V12-L297 HydrophobicContact CB-CD2 3.6Å; V12-L297 HydrophobicContact CG1-CD2 4.06Å; V12-L297 HydrophobicContact CG2-CD2 3.82Å; V12-L297 CarbonylContact O-C 3.59Å; V12-Y298 PolarHBondContact O-N 2.83Å; V12-D325 HydrophobicContact CG1-CB 4.26Å; V12-I327 HydrophobicContact CB-CG1 4.39Å; V12-I327 HydrophobicContact CG1-CG1 4.05Å; V12-I327 HydrophobicContact CG2-CD1 4.46Å; V12-I327 HydrophobicContact CG2-CG1 4.05Å; V12-I327 HydrophobicContact CG2-CG2 4.01Å
13F98.9Very high94Very high1 Ų124.7 Ų24.70%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-101128.4165.3-63.7-99.7000107.8Q11 L162 L278 L281 I282 Y298 I305 L308 D325 I326 F328Q11-F13 HydrophobicContact CB-CE2 4.17Å; F13-L162 HydrophobicContact CD1-CD2 4.34Å; F13-L162 HydrophobicContact CE1-CD2 3.93Å; F13-L278 HydrophobicContact CD1-CD1 4.4Å; F13-L278 HydrophobicContact CE1-CD1 3.62Å; F13-L278 HydrophobicContact CZ-CD1 4.21Å; F13-L281 HydrophobicContact CZ-CD2 4.49Å; F13-I282 HydrophobicContact CE2-CD1 4Å; F13-I282 HydrophobicContact CE2-CG1 3.69Å; F13-I282 HydrophobicContact CZ-CD1 4.07Å; F13-I282 HydrophobicContact CZ-CG1 3.62Å; F13-Y298 WeakPolarHBondContact CA-O 3.44Å; F13-Y298 AromaticContact CD1-CD2 3.9Å; F13-Y298 HydrophobicContact CD1-CD2 3.9Å; F13-Y298 AromaticContact CD1-CG 3.72Å; F13-Y298 HydrophobicContact CD1-CG 3.72Å; F13-Y298 HydrophobicContact CD2-CD2 4.09Å; F13-Y298 AromaticContact CE1-CD1 3.95Å; F13-Y298 HydrophobicContact CE1-CD1 3.95Å; F13-Y298 AromaticContact CE1-CD2 3.49Å; F13-Y298 HydrophobicContact CE1-CD2 3.49Å; F13-Y298 VanDerWaalsContact CE1-CD2 3.49Å; F13-Y298 HydrophobicContact CE1-CE2 4.1Å; F13-Y298 AromaticContact CE1-CG 3.42Å; F13-Y298 HydrophobicContact CE1-CG 3.42Å; F13-Y298 VanDerWaalsContact CE1-CG 3.42Å; F13-Y298 AromaticContact CE2-CD2 3.71Å; F13-Y298 HydrophobicContact CE2-CD2 3.71Å; F13-Y298 HydrophobicContact CE2-CE2 4.04Å; F13-Y298 HydrophobicContact CE2-CG 4.47Å; F13-Y298 HydrophobicContact CG-CD2 4.17Å; F13-Y298 HydrophobicContact CG-CG 4.35Å; F13-Y298 HydrophobicContact CZ-CD1 4.42Å; F13-Y298 AromaticContact CZ-CD2 3.39Å; F13-Y298 HydrophobicContact CZ-CD2 3.39Å; F13-Y298 AromaticContact CZ-CE2 3.64Å; F13-Y298 HydrophobicContact CZ-CE2 3.64Å; F13-Y298 AromaticContact CZ-CG 3.84Å; F13-Y298 HydrophobicContact CZ-CG 3.84Å; F13-I305 HydrophobicContact CB-CD1 3.97Å; F13-I305 WeakPolarHBondContact O-CD1 3.44Å; F13-L308 HydrophobicContact CB-CD1 4.22Å; F13-L308 HydrophobicContact CD1-CD1 4.29Å; F13-L308 HydrophobicContact CD2-CD1 4.5Å; F13-L308 HydrophobicContact CG-CD1 4.08Å; F13-D325 CarbonylContact O-C 3.53Å; F13-D325 VanDerWaalsContact O-CA 3.24Å; F13-D325 WeakPolarHBondContact O-CA 3.49Å; F13-I326 HydrophobicContact CB-CG2 3.79Å; F13-I326 PolarHBondContact N-O 3.08Å; F13-I326 PolarHBondContact O-N 3.07Å; F13-F328 HydrophobicContact CD2-CD2 4.04Å; F13-F328 AromaticContact CD2-CE2 3.81Å; F13-F328 HydrophobicContact CD2-CE2 3.81Å; F13-F328 HydrophobicContact CE2-CD2 4.09Å; F13-F328 HydrophobicContact CE2-CE2 4.01Å
14F98.9Very high96Very high1 Ų116.6 Ų16.60%0.0049%0.085CC..EExtended strand (participates in β ladder)trans-137.9137.1-178.666.1-83.4000112.5V12 L94 L132 V135 L297 Y298 A299 C300 A324 D325V12-F14 HydrophobicContact CG1-CB 4.5Å; V12-F14 HydrophobicContact CG1-CD1 4.21Å; F14-L94 HydrophobicContact CB-CD2 3.57Å; F14-L94 HydrophobicContact CD1-CD2 4.37Å; F14-L94 HydrophobicContact CD2-CD2 3.85Å; F14-L94 HydrophobicContact CG-CD2 3.67Å; F14-L132 HydrophobicContact CE1-CD1 4.1Å; F14-L132 HydrophobicContact CZ-CB 4.16Å; F14-L132 HydrophobicContact CZ-CD1 3.81Å; F14-V135 HydrophobicContact CD2-CG2 4.2Å; F14-V135 HydrophobicContact CE1-CG2 4.49Å; F14-V135 HydrophobicContact CE2-CG2 3.7Å; F14-V135 HydrophobicContact CZ-CB 4.42Å; F14-V135 HydrophobicContact CZ-CG2 3.85Å; F14-L297 HydrophobicContact CE1-CB 4.2Å; F14-L297 HydrophobicContact CE1-CD2 4.46Å; F14-Y298 WeakPolarHBondContact CD1-O 2.99Å; F14-Y298 PolarHBondContact N-O 3.43Å; F14-A299 HydrophobicContact CE1-CB 4.02Å; F14-A299 HydrophobicContact CE2-CB 3.73Å; F14-A299 HydrophobicContact CZ-CB 3.4Å; F14-A299 VanDerWaalsContact CZ-CB 3.4Å; F14-C300 PolarHBondContact O-N 3.22Å; F14-C300 PolarHBondContact O-SG 3.03Å; F14-C300 VanDerWaalsContact O-SG 3.34Å; F14-A324 CarbonylContact C-O 3.59Å; F14-A324 VanDerWaalsContact CA-O 3.23Å; F14-A324 WeakPolarHBondContact CA-O 3.14Å; F14-D325 HydrophobicContact CB-CB 4.1Å
15R98.8Very high97Very high1 Ų113.9 Ų13.90%0.0047%0.065CC..EExtended strand (participates in β ladder)trans-64.8142.8170-174.2-176-177.3-151.8-2.6109D302 I305 P320 P321 F322 A323 A324R15-D302 IonicContact CZ-OD2 3.97Å; R15-D302 VanDerWaalsContact CZ-OD2 3.24Å; R15-D302 IonicContact NE-OD2 2.97Å; R15-D302 PolarHBondContact NE-OD2 2.94Å; R15-D302 IonicContact NH2-OD2 3.6Å; R15-D302 PolarHBondContact NH2-OD2 3.46Å; R15-I305 HydrophobicContact CB-CG1 4.17Å; R15-P320 PolarHBondContact NH1-O 3.43Å; R15-P321 VanDerWaalsContact CD-O 3.26Å; R15-P321 WeakPolarHBondContact CD-O 3.17Å; R15-P321 PolarHBondContact NH1-O 3.47Å; R15-F322 VanDerWaalsContact CZ-CD1 3.45Å; R15-F322 VanDerWaalsContact NH1-N 3.15Å; R15-A323 VanDerWaalsContact O-CA 3.3Å; R15-A323 WeakPolarHBondContact O-CA 3.43Å; R15-A324 HydrophobicContact CB-CB 4.49Å; R15-A324 PolarHBondContact N-O 3.37Å
16H98.8Very high97.3Very high1 Ų118 Ų181%0.0058%0.083CC..  trans-52.9159.7167.561.371000112.7R127 T128 S131 C300 H301 A323H16-R127 HydrophobicContact CB-CB 4.46Å; H16-R127 HydrophobicContact CB-CG 4.37Å; H16-R127 PolarHBondContact CD2-NE 2.93Å; H16-R127 WeakPolarHBondContact NE2-CD 3.42Å; H16-R127 PolarHBondContact NE2-NE 3.42Å; H16-R127 VanDerWaalsContact NE2-NE 3.14Å; H16-T128 HydrophobicContact CB-CG2 4.08Å; H16-S131 WeakPolarHBondContact CA-OG 3.34Å; H16-S131 VanDerWaalsContact CB-OG 3.31Å; H16-S131 WeakPolarHBondContact CB-OG 3.48Å; H16-C300 PolarHBondContact N-O 3.38Å; H16-C300 VanDerWaalsContact N-O 3.12Å; H16-H301 AromaticContact CD2-ND1 3.59Å; H16-H301 AromaticContact NE2-ND1 3.81Å; H16-A323 PolarHBondContact O-N 3.39Å; H16-A323 VanDerWaalsContact O-N 3.11Å
17G98.6Very high97.5Very high0 Ų011.8 Ų11.80%06%0.057CC..  trans-68.2-179.2174.600000113.8S131 F322G17-S131 PolarHBondContact N-OG 3.36Å; G17-S131 VanDerWaalsContact N-OG 3.11Å; G17-F322 WeakPolarHBondContact O-CD1 3.41Å
18A98.7Very high97.4Very high3 Ų315.5 Ų15.53%0.0258%0.083CC..  trans-55.7142.5174.200000112.7L83 T84 G87 Y232 F322A18-L83 WeakPolarHBondContact O-CD1 3.14Å; A18-T84 PolarHBondContact O-N 3.3Å; A18-T84 PolarHBondContact O-OG1 3.35Å; A18-G87 WeakPolarHBondContact O-CA 3.36Å; A18-Y232 HydrophobicContact CB-CD1 4.1Å; A18-F322 VanDerWaalsContact CA-CG 3.49Å; A18-F322 HydrophobicContact CB-CB 4.31Å; A18-F322 HydrophobicContact CB-CD1 4.45Å; A18-F322 HydrophobicContact CB-CD2 3.63Å; A18-F322 HydrophobicContact CB-CE2 3.97Å; A18-F322 HydrophobicContact CB-CG 3.9Å
19R98.5Very high97.4Very high3 Ų319.5 Ų19.51%0.01110%0.103CC..BIsolated β-bridgetrans-146161.4-172.248.177.1177.8133.91.3110.8E82 D225 A229 F322R19-E82 CarbonylContact C-O 3.47Å; R19-E82 WeakPolarHBondContact CA-O 3.36Å; R19-E82 WeakPolarHBondContact CB-O 3.4Å; R19-D225 IonicContact CZ-OD1 3.34Å; R19-D225 IonicContact CZ-OD2 3.16Å; R19-D225 IonicContact NH1-OD1 3.68Å; R19-D225 PolarHBondContact NH1-OD1 3.44Å; R19-D225 IonicContact NH1-OD2 3.47Å; R19-D225 PolarHBondContact NH1-OD2 3.04Å; R19-D225 IonicContact NH2-OD1 3.82Å; R19-D225 PolarHBondContact NH2-OD1 3.34Å; R19-D225 IonicContact NH2-OD2 2.67Å; R19-D225 PolarHBondContact NH2-OD2 2.95Å; R19-A229 WeakPolarHBondContact O-CB 3.41Å; R19-F322 HydrophobicContact CG-CE1 4.24Å
20T98.6Very high97.1Very high0 Ų023 Ų230%012%0.118CC..SBendtrans-56.7148.9166.464.70000109W35 K79 G81 E82 T84T20-W35 HydrophobicContact CG2-CD2 4.24Å; T20-W35 HydrophobicContact CG2-CE3 3.59Å; T20-W35 HydrophobicContact CG2-CZ3 4.07Å; T20-K79 PolarHBondContact OG1-O 2.96Å; T20-G81 WeakPolarHBondContact O-CA 3.17Å; T20-G81 PolarHBondContact O-N 3.46Å; T20-G81 PolarHBondContact OG1-N 3.14Å; T20-E82 HydrophobicContact CG2-CB 4.14Å; T20-E82 PolarHBondContact N-O 2.92Å; T20-E82 PolarHBondContact OG1-N 3.33Å; T20-T84 HydrophobicContact CG2-CG2 4.35Å
21P98.1Very high96.9Very high0 Ų027 Ų270%015%0.145CC..  trans-64.6153.4-169.730.8-39.4000112.3F23 W35 L74 V80 G81 D226 A229P21-F23 VanDerWaalsContact CB-O 3.29Å; P21-F23 WeakPolarHBondContact CB-O 3.41Å; P21-W35 HydrophobicContact CG-CZ2 3.97Å; P21-L74 HydrophobicContact CG-CD1 3.94Å; P21-L74 HydrophobicContact CG-CD2 4.16Å; P21-V80 VanDerWaalsContact O-CA 3.31Å; P21-V80 WeakPolarHBondContact O-CA 3.1Å; P21-V80 VanDerWaalsContact O-CB 3.22Å; P21-V80 WeakPolarHBondContact O-CB 3.41Å; P21-V80 WeakPolarHBondContact O-CG1 3.24Å; P21-G81 PolarHBondContact O-N 3Å; P21-D226 HydrophobicContact CB-CB 4.33Å; P21-A229 HydrophobicContact CB-CB 3.88Å; P21-A229 HydrophobicContact CG-CB 4.41Å
22L96.2Very high96.7Very high46 Ų4630.1 Ų30.124%0.24116%0.159CC..SBendtrans-81.2-24.6171.6-67.4175.6000111.5D225L22-D225 PolarHBondContact N-OD2 3.07Å
23F96.4Very high96.5Very high24 Ų2430.3 Ų30.311%0.10516%0.16CC..SBendtrans-124155.6-178.9-50.1-67.1000110.3P21 E210 Y221 F222 D225P21-F23 VanDerWaalsContact CB-O 3.29Å; P21-F23 WeakPolarHBondContact CB-O 3.41Å; F23-E210 HydrophobicContact CD1-CG 4.38Å; F23-E210 HydrophobicContact CE1-CG 4.22Å; F23-Y221 HydrophobicContact CE2-CD2 4.1Å; F23-Y221 AromaticContact CE2-CE2 3.75Å; F23-Y221 HydrophobicContact CE2-CE2 3.75Å; F23-Y221 HydrophobicContact CZ-CE2 4.02Å; F23-F222 HydrophobicContact CB-CB 3.97Å; F23-F222 HydrophobicContact CB-CD2 4.12Å; F23-F222 HydrophobicContact CB-CG 4.08Å; F23-F222 HydrophobicContact CD1-CD1 4.02Å; F23-F222 AromaticContact CD1-CD2 3.61Å; F23-F222 HydrophobicContact CD1-CD2 3.61Å; F23-F222 AromaticContact CD1-CE1 3.86Å; F23-F222 HydrophobicContact CD1-CE1 3.86Å; F23-F222 AromaticContact CD1-CE2 3.45Å; F23-F222 HydrophobicContact CD1-CE2 3.45Å; F23-F222 VanDerWaalsContact CD1-CE2 3.45Å; F23-F222 AromaticContact CD1-CG 3.87Å; F23-F222 HydrophobicContact CD1-CG 3.87Å; F23-F222 AromaticContact CD1-CZ 3.56Å; F23-F222 HydrophobicContact CD1-CZ 3.56Å; F23-F222 HydrophobicContact CD2-CB 4.01Å; F23-F222 AromaticContact CD2-CD1 3.61Å; F23-F222 HydrophobicContact CD2-CD1 3.61Å; F23-F222 HydrophobicContact CD2-CD2 4.34Å; F23-F222 HydrophobicContact CD2-CE1 4.05Å; F23-F222 AromaticContact CD2-CG 3.75Å; F23-F222 HydrophobicContact CD2-CG 3.75Å; F23-F222 AromaticContact CE1-CD1 3.94Å; F23-F222 HydrophobicContact CE1-CD1 3.94Å; F23-F222 HydrophobicContact CE1-CD2 4.11Å; F23-F222 AromaticContact CE1-CE1 3.38Å; F23-F222 HydrophobicContact CE1-CE1 3.38Å; F23-F222 AromaticContact CE1-CE2 3.59Å; F23-F222 HydrophobicContact CE1-CE2 3.59Å; F23-F222 HydrophobicContact CE1-CG 4.25Å; F23-F222 AromaticContact CE1-CZ 3.16Å; F23-F222 HydrophobicContact CE1-CZ 3.16Å; F23-F222 AromaticContact CE2-CD1 3.51Å; F23-F222 HydrophobicContact CE2-CD1 3.51Å; F23-F222 AromaticContact CE2-CE1 3.58Å; F23-F222 HydrophobicContact CE2-CE1 3.58Å; F23-F222 HydrophobicContact CE2-CG 4.13Å; F23-F222 HydrophobicContact CE2-CZ 4.24Å; F23-F222 HydrophobicContact CG-CB 3.95Å; F23-F222 AromaticContact CG-CD1 3.86Å; F23-F222 HydrophobicContact CG-CD1 3.86Å; F23-F222 AromaticContact CG-CD2 3.74Å; F23-F222 HydrophobicContact CG-CD2 3.74Å; F23-F222 HydrophobicContact CG-CE1 4.17Å; F23-F222 HydrophobicContact CG-CE2 4.07Å; F23-F222 AromaticContact CG-CG 3.59Å; F23-F222 HydrophobicContact CG-CG 3.59Å; F23-F222 HydrophobicContact CG-CZ 4.25Å; F23-F222 AromaticContact CZ-CD1 3.68Å; F23-F222 HydrophobicContact CZ-CD1 3.68Å; F23-F222 AromaticContact CZ-CE1 3.21Å; F23-F222 HydrophobicContact CZ-CE1 3.21Å; F23-F222 HydrophobicContact CZ-CE2 4.3Å; F23-F222 HydrophobicContact CZ-CG 4.36Å; F23-F222 AromaticContact CZ-CZ 3.55Å; F23-F222 HydrophobicContact CZ-CZ 3.55Å; F23-D225 HydrophobicContact CD2-CB 3.77Å; F23-D225 HydrophobicContact CE2-CB 4.43Å
24H95.9Very high96.5Very high1 Ų135.2 Ų35.21%0.00519%0.186CC..  trans-131.498.5-179.2-178.5-143.7000110.3K26 E32 F72 L74 D207 C208 V209 D226H24-K26 WeakPolarHBondContact CE1-CE 3.13Å; H24-E32 IonicContact CD2-OE2 2.71Å; H24-E32 IonicContact CE1-OE1 3.47Å; H24-E32 PolarHBondContact CE1-OE1 3.09Å; H24-E32 VanDerWaalsContact CE1-OE1 3.24Å; H24-E32 IonicContact CE1-OE2 3.45Å; H24-E32 VanDerWaalsContact NE2-CD 3.33Å; H24-E32 IonicContact NE2-OE1 3.24Å; H24-E32 PolarHBondContact NE2-OE1 3.2Å; H24-E32 VanDerWaalsContact NE2-OE1 3.11Å; H24-E32 IonicContact NE2-OE2 2.91Å; H24-E32 PolarHBondContact NE2-OE2 3.08Å; H24-F72 HydrophobicContact CB-CE1 4.48Å; H24-L74 HydrophobicContact CB-CD2 3.96Å; H24-D207 PolarHBondContact N-OD1 3Å; H24-D207 WeakPolarHBondContact O-CA 3.28Å; H24-C208 HydrophobicContact CB-CB 4.2Å; H24-C208 PolarHBondContact O-N 3Å; H24-V209 HydrophobicContact CB-CG2 3.96Å; H24-D226 IonicContact CD2-OD2 3.51Å
25V95.4Very high96.5Very high1 Ų135.2 Ų35.21%0.00619%0.186CC..BIsolated β-bridgetrans-105.6108.5-176.6-175.60000110L200 L206 D207 F222 V223 D226 Y227V25-L200 HydrophobicContact CG1-CD1 4.13Å; V25-L206 WeakPolarHBondContact CA-O 3.29Å; V25-D207 HydrophobicContact CG2-CB 4.48Å; V25-F222 HydrophobicContact CG2-CB 4.21Å; V25-V223 HydrophobicContact CG1-CG2 4.17Å; V25-V223 HydrophobicContact CG2-CG2 4.26Å; V25-D226 PolarHBondContact N-OD2 2.94Å; V25-Y227 HydrophobicContact CB-CE2 4.44Å; V25-Y227 PolarHBondContact O-OH 3.21Å
26K92.7Very high96.4Very high105 Ų10537.4 Ų37.446%0.45720%0.2SC..  trans-77150.4-173.5-66.3-173.7171.6168.80112.9H24 E32 C208H24-K26 WeakPolarHBondContact CE1-CE 3.13Å; K26-E32 WeakPolarHBondContact CE-OE1 3.39Å; K26-E32 WeakPolarHBondContact CG-OE1 3.25Å; K26-C208 WeakPolarHBondContact CE-SG 3.38Å
27S95.4Very high96.4Very high12 Ų1240.4 Ų40.48%0.08422%0.219CC..  trans-129.2129.6167.4170.80000108.5I29 F30 L200S27-I29 PolarHBondContact O-N 2.97Å; S27-I29 WeakPolarHBondContact OG-CG1 3.29Å; S27-I29 PolarHBondContact OG-N 3.46Å; S27-F30 PolarHBondContact OG-N 2.78Å; S27-L200 WeakPolarHBondContact CB-O 3.41Å; S27-L200 PolarHBondContact OG-O 3.16Å
28P95.1Very high96.3Very high101 Ų10145.7 Ų45.766%0.65624%0.244SC*.SBendtrans-73.9-16.2176.429.2-35.1000113.2L200 G201 V202P28-L200 WeakPolarHBondContact CD-O 3.44Å; P28-G201 WeakPolarHBondContact CG-O 3.46Å; P28-V202 VanDerWaalsContact CD-CG1 3.44Å; P28-V202 HydrophobicContact CG-CG1 4.29Å
29I94.6Very high96.3Very high108 Ų10847.4 Ų47.455%0.55425%0.252SS*.SBendtrans-105.4-8.1-175.660.2167.2000113.4S27S27-I29 PolarHBondContact O-N 2.97Å; S27-I29 WeakPolarHBondContact OG-CG1 3.29Å; S27-I29 PolarHBondContact OG-N 3.46Å
30F93.6Very high96.2Very high74 Ų7447.7 Ų47.733%0.32526%0.255SS..SBendtrans-118.4142.3175.1-80.1-84000111.7S27 P238S27-F30 PolarHBondContact OG-N 2.78Å; F30-P238 HydrophobicContact CD1-CB 4.38Å; F30-P238 HydrophobicContact CD1-CG 3.9Å; F30-P238 HydrophobicContact CD2-CB 4.19Å; F30-P238 HydrophobicContact CD2-CG 3.57Å; F30-P238 HydrophobicContact CE1-CB 3.83Å; F30-P238 HydrophobicContact CE1-CG 3.86Å; F30-P238 HydrophobicContact CE2-CB 3.62Å; F30-P238 HydrophobicContact CE2-CG 3.54Å; F30-P238 HydrophobicContact CG-CG 3.77Å; F30-P238 HydrophobicContact CZ-CB 3.42Å; F30-P238 VanDerWaalsContact CZ-CB 3.42Å; F30-P238 HydrophobicContact CZ-CG 3.7Å
31P92.8Very high96.2Very high85 Ų8550.8 Ų50.855%0.55227%0.274SS*.PPolyproline II helixtrans-63.9146.6-179.227-34.5000111.7R230 P236P31-R230 PolarHBondContact O-NH1 3.3Å; P31-P236 HydrophobicContact CG-CG 4.48Å
32E94.6Very high96.2Very high66 Ų6653.9 Ų53.931%0.30829%0.29SS..PPolyproline II helixtrans-67.7143.9171.9-75.3-77.5-155.200111.3H24 K26 R230H24-E32 IonicContact CD2-OE2 2.71Å; H24-E32 IonicContact CE1-OE1 3.47Å; H24-E32 PolarHBondContact CE1-OE1 3.09Å; H24-E32 VanDerWaalsContact CE1-OE1 3.24Å; H24-E32 IonicContact CE1-OE2 3.45Å; H24-E32 VanDerWaalsContact NE2-CD 3.33Å; H24-E32 IonicContact NE2-OE1 3.24Å; H24-E32 PolarHBondContact NE2-OE1 3.2Å; H24-E32 VanDerWaalsContact NE2-OE1 3.11Å; H24-E32 IonicContact NE2-OE2 2.91Å; H24-E32 PolarHBondContact NE2-OE2 3.08Å; K26-E32 WeakPolarHBondContact CE-OE1 3.39Å; K26-E32 WeakPolarHBondContact CG-OE1 3.25Å; E32-R230 IonicContact OE2-NH1 2.82Å; E32-R230 IonicContact OE2-NH2 2.88Å
33A96.8Very high96.3Very high3 Ų353.2 Ų53.23%0.02529%0.287CS..PPolyproline II helixtrans-79.9122.6168.800000109.4W35 R230 F235A33-W35 HydrophobicContact CB-CZ2 4.32Å; A33-W35 VanDerWaalsContact O-CD1 3.22Å; A33-W35 PolarHBondContact O-N 2.79Å; A33-R230 HydrophobicContact CB-CG 3.76Å; A33-F235 HydrophobicContact CB-CB 4.17Å; A33-F235 HydrophobicContact CB-CD1 4.04Å; A33-F235 HydrophobicContact CB-CD2 3.83Å; A33-F235 HydrophobicContact CB-CE1 4.39Å; A33-F235 HydrophobicContact CB-CE2 4.19Å; A33-F235 HydrophobicContact CB-CG 3.75Å; A33-F235 HydrophobicContact CB-CZ 4.46Å
34L97.7Very high96.3Very high104 Ų10457.2 Ų57.255%0.54532%0.315SS..  trans-89.587.7178.5-59.4-178.4000109.8T36 P75 F235L34-T36 PolarHBondContact O-N 3.46Å; L34-P75 CarbonylContact C-O 3.58Å; L34-P75 WeakPolarHBondContact CA-O 3.4Å; L34-P75 HydrophobicContact CD2-CB 4.15Å; L34-F235 WeakPolarHBondContact O-CZ 3.26Å
35W98.3Very high96.3Very high1 Ų161.2 Ų61.20%0.00433%0.334CS..  trans-70.990.6175.6-60.798.4000110.4T20 P21 A33 L74 P75 G76 G77 N78 A229 R230 A233 F235T20-W35 HydrophobicContact CG2-CD2 4.24Å; T20-W35 HydrophobicContact CG2-CE3 3.59Å; T20-W35 HydrophobicContact CG2-CZ3 4.07Å; P21-W35 HydrophobicContact CG-CZ2 3.97Å; A33-W35 HydrophobicContact CB-CZ2 4.32Å; A33-W35 VanDerWaalsContact O-CD1 3.22Å; A33-W35 PolarHBondContact O-N 2.79Å; W35-L74 HydrophobicContact CB-CB 4Å; W35-L74 HydrophobicContact CB-CD1 4.22Å; W35-L74 HydrophobicContact CD2-CD1 4.39Å; W35-L74 HydrophobicContact CG-CB 4.1Å; W35-L74 HydrophobicContact CG-CD1 3.88Å; W35-P75 WeakPolarHBondContact CA-O 3.1Å; W35-P75 WeakPolarHBondContact CB-O 3.42Å; W35-P75 PolarHBondContact N-O 2.99Å; W35-G76 CarbonylContact O-C 3.6Å; W35-G76 WeakPolarHBondContact O-CA 3.48Å; W35-G77 PolarHBondContact O-N 2.95Å; W35-N78 HydrophobicContact CB-CB 4.07Å; W35-N78 WeakPolarHBondContact O-CB 3.18Å; W35-N78 PolarHBondContact O-N 2.9Å; W35-A229 HydrophobicContact CH2-CB 3.93Å; W35-A229 WeakPolarHBondContact CH2-O 3.42Å; W35-A229 HydrophobicContact CZ2-CB 4.21Å; W35-R230 HydrophobicContact CZ2-CB 4.47Å; W35-R230 HydrophobicContact CZ2-CG 3.82Å; W35-A233 HydrophobicContact CH2-CB 3.71Å; W35-A233 HydrophobicContact CZ3-CB 3.55Å; W35-F235 HydrophobicContact CD2-CE2 4.04Å; W35-F235 AromaticContact CE3-CE2 3.83Å; W35-F235 HydrophobicContact CE3-CE2 3.83Å; W35-F235 HydrophobicContact CH2-CD2 4.09Å; W35-F235 HydrophobicContact CH2-CE2 4.05Å; W35-F235 HydrophobicContact CZ2-CD2 4.16Å; W35-F235 HydrophobicContact CZ2-CE2 4.22Å; W35-F235 HydrophobicContact CZ3-CD2 4.34Å; W35-F235 AromaticContact CZ3-CE2 3.85Å; W35-F235 HydrophobicContact CZ3-CE2 3.85Å
36T98.2Very high96.3Very high48 Ų4861.2 Ų61.229%0.29433%0.334SS..  trans-85.115217678.10000111.6L34 E38 I39 N78L34-T36 PolarHBondContact O-N 3.46Å; T36-E38 WeakPolarHBondContact CB-OE2 3.5Å; T36-E38 PolarHBondContact O-N 3.36Å; T36-E38 PolarHBondContact OG1-OE2 2.85Å; T36-I39 WeakPolarHBondContact O-CB 3.21Å; T36-I39 PolarHBondContact O-N 3.14Å; T36-N78 PolarHBondContact O-ND2 3.12Å; T36-N78 VanDerWaalsContact O-ND2 3.08Å
37P97.2Very high96.4Very high63 Ų6360.2 Ų60.241%0.40933%0.333SS..G310 helixtrans-57.1-28.1178.4-27.737000114.2I39 S40 T41P37-I39 PolarHBondContact O-N 3.07Å; P37-I39 VanDerWaalsContact O-N 3.16Å; P37-S40 PolarHBondContact O-N 2.88Å; P37-T41 PolarHBondContact O-N 3.21Å
38E98.1Very high96.3Very high112 Ų11260.1 Ų60.152%0.52333%0.331SS..G310 helixtrans-59.8-27.9-179.8-63.872.2-153.900112.8T36 S40 T41 K85T36-E38 WeakPolarHBondContact CB-OE2 3.5Å; T36-E38 PolarHBondContact O-N 3.36Å; T36-E38 PolarHBondContact OG1-OE2 2.85Å; E38-S40 PolarHBondContact O-N 2.94Å; E38-T41 PolarHBondContact O-N 3.09Å; E38-T41 PolarHBondContact O-OG1 2.92Å; E38-K85 WeakPolarHBondContact O-CE 3.43Å; E38-K85 PolarHBondContact O-NZ 2.76Å
39I97.7Very high96.2Very high38 Ų3857.8 Ų57.820%0.19532%0.316CS..G310 helixtrans-65.9-24.9177.7-64.9172.9000111.6T36 P37 T84 K85 F235T36-I39 WeakPolarHBondContact O-CB 3.21Å; T36-I39 PolarHBondContact O-N 3.14Å; P37-I39 PolarHBondContact O-N 3.07Å; P37-I39 VanDerWaalsContact O-N 3.16Å; I39-T84 HydrophobicContact CG2-CG2 3.67Å; I39-T84 CarbonylContact O-C 3.58Å; I39-T84 WeakPolarHBondContact O-CA 3.35Å; I39-K85 PolarHBondContact O-N 3.36Å; I39-F235 HydrophobicContact CD1-CE2 4.03Å; I39-F235 HydrophobicContact CD1-CZ 3.74Å
40S97.6Very high96.2Very high9 Ų956 Ų566%0.06330%0.303CS..G310 helixtrans-109.89.1-177.4-56.70000113.6P37 E38 N78 L83P37-S40 PolarHBondContact O-N 2.88Å; E38-S40 PolarHBondContact O-N 2.94Å; S40-N78 PolarHBondContact OG-ND2 2.96Å; S40-L83 WeakPolarHBondContact CA-O 3.25Å; S40-L83 WeakPolarHBondContact CB-O 3.33Å; S40-L83 PolarHBondContact OG-O 3.18Å
41T98.1Very high96.3Very high65 Ų6553.3 Ų53.340%0.39929%0.293SS..SBendtrans-66.3146.2173.850.90000111.2P37 E38 K85 Q88P37-T41 PolarHBondContact O-N 3.21Å; E38-T41 PolarHBondContact O-N 3.09Å; E38-T41 PolarHBondContact O-OG1 2.92Å; T41-K85 WeakPolarHBondContact O-CG 3.48Å; T41-K85 WeakPolarHBondContact OG1-CE 3.27Å; T41-K85 PolarHBondContact OG1-NZ 3.35Å; T41-Q88 PolarHBondContact O-NE2 3.49Å
42D98.2Very high96.6Very high65 Ų6549.8 Ų49.835%0.34827%0.269SS..PPolyproline II helixtrans-67.5135.5-175-76-17.8000111.8L47 Q88 R133D42-L47 HydrophobicContact CB-CD2 3.92Å; D42-Q88 VanDerWaalsContact CA-OE1 3.31Å; D42-R133 IonicContact OD1-CZ 2.7Å; D42-R133 IonicContact OD1-NH1 3.53Å; D42-R133 PolarHBondContact OD1-NH1 2.91Å; D42-R133 IonicContact OD1-NH2 3.4Å; D42-R133 PolarHBondContact OD1-NH2 2.98Å; D42-R133 IonicContact OD2-CZ 3.7Å; D42-R133 IonicContact OD2-NH1 3.72Å; D42-R133 PolarHBondContact OD2-NH1 3.28Å; D42-R133 IonicContact OD2-NH2 2.84Å; D42-R133 PolarHBondContact OD2-NH2 2.98Å
43L98.1Very high96.8Very high33 Ų3347.5 Ų47.517%0.17326%0.259CS..PPolyproline II helixtrans-82128.6171.4-70.7175.3000109.4H45 T46 K85 Q88 Q89L43-H45 VanDerWaalsContact C-N 3.33Å; L43-H45 PolarHBondContact O-N 3.38Å; L43-T46 HydrophobicContact CB-CG2 3.77Å; L43-T46 HydrophobicContact CD1-CG2 4.25Å; L43-T46 PolarHBondContact O-N 3.09Å; L43-T46 PolarHBondContact O-OG1 3.14Å; L43-K85 HydrophobicContact CD1-CB 4.22Å; L43-K85 WeakPolarHBondContact CD1-O 3.47Å; L43-K85 HydrophobicContact CD2-CB 4.28Å; L43-K85 HydrophobicContact CD2-CD 4.06Å; L43-K85 HydrophobicContact CD2-CG 3.94Å; L43-K85 HydrophobicContact CG-CB 4.23Å; L43-K85 HydrophobicContact CG-CG 4.03Å; L43-Q88 HydrophobicContact CD1-CB 4.12Å; L43-Q89 HydrophobicContact CD1-CB 4.41Å
44P96.2Very high96.8Very high107 Ų10747.9 Ų47.970%0.69526%0.26SS*.G310 helixtrans-55-41.2-172.9-29.535.1000114.9T46 L47P44-T46 PolarHBondContact O-N 2.92Å; P44-L47 PolarHBondContact O-N 2.76Å
45H95.3Very high96.7Very high86 Ų8643.4 Ų43.440%0.39824%0.237SC..G310 helixtrans-75-5179.761.9-79.6000114.2L43 Q89 F92L43-H45 VanDerWaalsContact C-N 3.33Å; L43-H45 PolarHBondContact O-N 3.38Å; H45-Q89 PolarHBondContact NE2-OE1 3.49Å; H45-F92 WeakPolarHBondContact O-CE2 3.46Å
46T96.7Very high96.5Very high0 Ų047.2 Ų47.20%026%0.264CS..G310 helixtrans-1033.4178.671.90000113L43 P44 Q88 F92 R133L43-T46 HydrophobicContact CB-CG2 3.77Å; L43-T46 HydrophobicContact CD1-CG2 4.25Å; L43-T46 PolarHBondContact O-N 3.09Å; L43-T46 PolarHBondContact O-OG1 3.14Å; P44-T46 PolarHBondContact O-N 2.92Å; T46-Q88 HydrophobicContact CG2-CB 4.26Å; T46-Q88 PolarHBondContact OG1-OE1 3.32Å; T46-Q88 VanDerWaalsContact OG1-OE1 3.11Å; T46-F92 HydrophobicContact CG2-CB 3.98Å; T46-F92 HydrophobicContact CG2-CD2 4.11Å; T46-F92 HydrophobicContact CG2-CG 4.23Å; T46-R133 PolarHBondContact O-NE 2.8Å
47L94.6Very high96.3Very high85 Ų8548.2 Ų48.245%0.44527%0.27SS..  trans-78.3137.1174.7-62.1179000110.4D42 P44D42-L47 HydrophobicContact CB-CD2 3.92Å; P44-L47 PolarHBondContact O-N 2.76Å
48F93.2Very high96.2Very high9 Ų949.5 Ų49.54%0.03927%0.271CS..  trans-149.8132176.3-170.3-94000107.7Y50 R133 M136 A137 I144 L146 V150 F152F48-Y50 WeakPolarHBondContact O-CD1 3.45Å; F48-Y50 PolarHBondContact O-N 2.75Å; F48-R133 HydrophobicContact CB-CG 3.94Å; F48-R133 WeakPolarHBondContact O-CG 3.26Å; F48-M136 HydrophobicContact CB-CB 4.33Å; F48-M136 HydrophobicContact CD1-CB 3.59Å; F48-M136 HydrophobicContact CD1-CG 4.37Å; F48-M136 HydrophobicContact CD2-CB 4.09Å; F48-M136 HydrophobicContact CE1-CB 3.75Å; F48-M136 HydrophobicContact CE1-CE 4.05Å; F48-M136 HydrophobicContact CE1-CG 4.27Å; F48-M136 HydrophobicContact CE2-CB 4.24Å; F48-M136 HydrophobicContact CG-CB 3.75Å; F48-M136 HydrophobicContact CZ-CB 4.06Å; F48-M136 HydrophobicContact CZ-CE 3.83Å; F48-A137 HydrophobicContact CB-CB 4.18Å; F48-I144 HydrophobicContact CD2-CD1 4.34Å; F48-I144 HydrophobicContact CE2-CG1 4.36Å; F48-L146 HydrophobicContact CE1-CD1 3.97Å; F48-L146 HydrophobicContact CE2-CD1 3.92Å; F48-L146 HydrophobicContact CZ-CD1 3.54Å; F48-V150 HydrophobicContact CE1-CB 4Å; F48-V150 HydrophobicContact CE1-CG2 3.53Å; F48-V150 HydrophobicContact CZ-CG2 3.98Å; F48-F152 HydrophobicContact CD1-CZ 4.49Å
49P92.7Very high96.2Very high53 Ų5351.1 Ų51.134%0.34428%0.276SS..  trans-72.5126.3-17529.6-34000110.7L146 P149 V150P49-L146 HydrophobicContact CG-CD1 3.6Å; P49-P149 HydrophobicContact CB-CB 4.42Å; P49-V150 PolarHBondContact O-N 2.87Å
50Y94.8Very high96.2Very high71 Ų7155.3 Ų55.328%0.27830%0.295SS..EExtended strand (participates in β ladder)trans-145161.1179.375-79.4000111.6F48 L52 I129 R133 V150 F152F48-Y50 WeakPolarHBondContact O-CD1 3.45Å; F48-Y50 PolarHBondContact O-N 2.75Å; Y50-L52 HydrophobicContact CD2-CD2 4.23Å; Y50-L52 HydrophobicContact CD2-CG 4.29Å; Y50-L52 HydrophobicContact CE2-CD1 4.43Å; Y50-L52 HydrophobicContact CE2-CD2 3.95Å; Y50-L52 HydrophobicContact CE2-CG 3.87Å; Y50-I129 HydrophobicContact CE2-CG2 3.53Å; Y50-I129 WeakPolarHBondContact OH-CG2 3.31Å; Y50-R133 HydrophobicContact CD1-CB 4.33Å; Y50-R133 HydrophobicContact CD1-CG 4.04Å; Y50-R133 HydrophobicContact CE1-CB 4.29Å; Y50-R133 HydrophobicContact CE1-CG 4.1Å; Y50-V150 CarbonylContact C-O 3.57Å; Y50-V150 WeakPolarHBondContact CA-O 3.44Å; Y50-V150 WeakPolarHBondContact CB-O 3.33Å; Y50-F152 HydrophobicContact CD1-CE2 4.12Å; Y50-F152 HydrophobicContact CD2-CB 4.31Å; Y50-F152 AromaticContact CD2-CD2 3.44Å; Y50-F152 HydrophobicContact CD2-CD2 3.44Å; Y50-F152 VanDerWaalsContact CD2-CD2 3.44Å; Y50-F152 AromaticContact CD2-CE2 3.87Å; Y50-F152 HydrophobicContact CD2-CE2 3.87Å; Y50-F152 AromaticContact CD2-CG 4Å; Y50-F152 HydrophobicContact CD2-CG 4Å; Y50-F152 HydrophobicContact CE2-CD2 4.12Å; Y50-F152 AromaticContact CG-CD2 3.68Å; Y50-F152 HydrophobicContact CG-CD2 3.68Å; Y50-F152 AromaticContact CG-CE2 3.62Å; Y50-F152 HydrophobicContact CG-CE2 3.62Å; Y50-F152 HydrophobicContact CG-CG 4.26Å; Y50-F152 HydrophobicContact CG-CZ 4.17Å
51C96.3Very high96.1Very high17 Ų1756.6 Ų56.612%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-128151.7163.761.60000109.2Q60 V150 N151 F152C51-Q60 HydrophobicContact CB-CG 4.37Å; C51-V150 PolarHBondContact N-O 3.07Å; C51-N151 PolarHBondContact SG-OD1 3.08Å; C51-F152 PolarHBondContact O-N 3.44Å
52L98.1Very high95.9Very high11 Ų1160.7 Ų60.76%0.05832%0.317CS..EExtended strand (participates in β ladder)trans-94.5127.9177.3-64.7168.2000109.6Y50 Q60 V61 T122 F124 I129 F152Y50-L52 HydrophobicContact CD2-CD2 4.23Å; Y50-L52 HydrophobicContact CD2-CG 4.29Å; Y50-L52 HydrophobicContact CE2-CD1 4.43Å; Y50-L52 HydrophobicContact CE2-CD2 3.95Å; Y50-L52 HydrophobicContact CE2-CG 3.87Å; L52-Q60 CarbonylContact O-C 3.56Å; L52-Q60 WeakPolarHBondContact O-CA 3.26Å; L52-Q60 WeakPolarHBondContact O-CG 3.28Å; L52-V61 HydrophobicContact CB-CG2 3.86Å; L52-V61 WeakPolarHBondContact CB-O 3.48Å; L52-V61 PolarHBondContact O-N 3.17Å; L52-T122 HydrophobicContact CD2-CG2 4.18Å; L52-F124 HydrophobicContact CD1-CE2 4.12Å; L52-I129 HydrophobicContact CD1-CD1 3.75Å; L52-I129 HydrophobicContact CD1-CG1 4.39Å; L52-I129 HydrophobicContact CD1-CG2 4.31Å; L52-I129 HydrophobicContact CD2-CD1 4.17Å; L52-I129 HydrophobicContact CD2-CG1 3.94Å; L52-I129 HydrophobicContact CD2-CG2 3.92Å; L52-F152 CarbonylContact C-O 3.57Å; L52-F152 VanDerWaalsContact CA-O 3.3Å; L52-F152 WeakPolarHBondContact CA-O 3.35Å; L52-F152 HydrophobicContact CD2-CB 3.94Å
53I98.2Very high95.5Very high18 Ų1859.5 Ų59.59%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-116.3124.1178.8-52.8-59.7000108.7I55 Q60 N151 F152 E153 C154I53-I55 PolarHBondContact O-N 2.79Å; I53-Q60 HydrophobicContact CD1-CB 4.2Å; I53-N151 HydrophobicContact CG1-CB 3.92Å; I53-F152 PolarHBondContact N-O 3Å; I53-E153 WeakPolarHBondContact O-CA 3.48Å; I53-C154 PolarHBondContact O-N 2.9Å
54D97.5Very high94.9Very high10 Ų1060.4 Ų60.45%0.05332%0.319CS..EExtended strand (participates in β ladder)trans-73.5121.7172.3173.7-77.2000109.6S56 T57 Q58 K59 V61 C154D54-S56 VanDerWaalsContact C-N 3.26Å; D54-S56 PolarHBondContact O-N 2.92Å; D54-S56 WeakPolarHBondContact OD1-CA 3.34Å; D54-S56 WeakPolarHBondContact OD1-CB 3.13Å; D54-S56 PolarHBondContact OD1-N 2.91Å; D54-S56 PolarHBondContact OD1-OG 2.75Å; D54-T57 WeakPolarHBondContact CB-OG1 3.43Å; D54-T57 PolarHBondContact O-N 3.03Å; D54-T57 PolarHBondContact OD1-N 3.49Å; D54-T57 PolarHBondContact OD1-OG1 3.24Å; D54-Q58 VanDerWaalsContact O-CA 3.31Å; D54-Q58 WeakPolarHBondContact O-CA 3.29Å; D54-Q58 PolarHBondContact O-N 2.92Å; D54-K59 PolarHBondContact N-O 2.78Å; D54-V61 HydrophobicContact CB-CG1 3.73Å; D54-V61 HydrophobicContact CB-CG2 4.28Å; D54-C154 WeakPolarHBondContact CA-O 2.86Å
55I96Very high94.2Very high10 Ų1059.5 Ų59.55%0.05131%0.313CS..THydrogen-bonded Turntrans-58.8-39.8-174.1-64170000111.3I53 Q58 R121 E153 C154 P352I53-I55 PolarHBondContact O-N 2.79Å; I55-Q58 PolarHBondContact O-NE2 3.05Å; I55-R121 HydrophobicContact CD1-CG 4.33Å; I55-E153 HydrophobicContact CD1-CB 4.1Å; I55-E153 HydrophobicContact CG1-CB 3.76Å; I55-E153 HydrophobicContact CG1-CG 4.35Å; I55-E153 WeakPolarHBondContact CG1-OE2 3.45Å; I55-C154 WeakPolarHBondContact CG1-O 3.47Å; I55-C154 PolarHBondContact N-O 3.38Å; I55-P352 HydrophobicContact CG2-CB 4.29Å; I55-P352 WeakPolarHBondContact O-CB 3.27Å
56S93.2Very high93.6Very high81 Ų8160.8 Ų60.857%0.56632%0.323SS*.THydrogen-bonded Turntrans-73.2-35.2-173.576.60000113.1D54D54-S56 VanDerWaalsContact C-N 3.26Å; D54-S56 PolarHBondContact O-N 2.92Å; D54-S56 WeakPolarHBondContact OD1-CA 3.34Å; D54-S56 WeakPolarHBondContact OD1-CB 3.13Å; D54-S56 PolarHBondContact OD1-N 2.91Å; D54-S56 PolarHBondContact OD1-OG 2.75Å
57T95.2Very high93.1Very high69 Ų6964 Ų6442%0.42334%0.336SS..THydrogen-bonded Turntrans-106.7-14.6-173.663.10000113.7D54 K59D54-T57 WeakPolarHBondContact CB-OG1 3.43Å; D54-T57 PolarHBondContact O-N 3.03Å; D54-T57 PolarHBondContact OD1-N 3.49Å; D54-T57 PolarHBondContact OD1-OG1 3.24Å; T57-K59 PolarHBondContact O-N 3.36Å; T57-K59 PolarHBondContact OG1-N 3.46Å
58Q95.6Very high92.5Very high91 Ų9162.1 Ų62.143%0.42533%0.326SS..THydrogen-bonded Turntrans55.927.5-173.5-64.1-64-60.100113.3D54 I55 P352D54-Q58 VanDerWaalsContact O-CA 3.31Å; D54-Q58 WeakPolarHBondContact O-CA 3.29Å; D54-Q58 PolarHBondContact O-N 2.92Å; I55-Q58 PolarHBondContact O-NE2 3.05Å; Q58-P352 HydrophobicContact CG-CB 4.44Å; Q58-P352 HydrophobicContact CG-CG 3.42Å; Q58-P352 VanDerWaalsContact CG-CG 3.42Å; Q58-P352 VanDerWaalsContact NE2-CG 3.26Å
59K97.1Very high92.1Very high146 Ų14667 Ų6764%0.63535%0.352SS*.EExtended strand (participates in β ladder)trans-107.2148179-69.4179.8-178.2-1780110.4D54 T57 V61D54-K59 PolarHBondContact N-O 2.78Å; T57-K59 PolarHBondContact O-N 3.36Å; T57-K59 PolarHBondContact OG1-N 3.46Å; K59-V61 PolarHBondContact O-N 2.82Å
60Q96.9Very high91.9Very high125 Ų12572.8 Ų72.858%0.58437%0.372SS*.EExtended strand (participates in β ladder)trans-64.7133.7170.9-172.6176.3-11.100110.2C51 L52 I53C51-Q60 HydrophobicContact CB-CG 4.37Å; L52-Q60 CarbonylContact O-C 3.56Å; L52-Q60 WeakPolarHBondContact O-CA 3.26Å; L52-Q60 WeakPolarHBondContact O-CG 3.28Å; I53-Q60 HydrophobicContact CD1-CB 4.2Å
61V96.1Very high91.7Very high37 Ų3771.3 Ų71.322%0.22437%0.369CS..EExtended strand (participates in β ladder)trans-126166177.9-65.90000110.6L52 D54 K59 F124L52-V61 HydrophobicContact CB-CG2 3.86Å; L52-V61 WeakPolarHBondContact CB-O 3.48Å; L52-V61 PolarHBondContact O-N 3.17Å; D54-V61 HydrophobicContact CB-CG1 3.73Å; D54-V61 HydrophobicContact CB-CG2 4.28Å; K59-V61 PolarHBondContact O-N 2.82Å; V61-F124 HydrophobicContact CB-CE2 4.44Å; V61-F124 HydrophobicContact CB-CZ 4.5Å; V61-F124 HydrophobicContact CG2-CE2 3.83Å; V61-F124 HydrophobicContact CG2-CZ 4.33Å
62Q94.2Very high91.6Very high151 Ų15173.5 Ų73.571%0.70638%0.376SS*.  trans-143.8151.4175.3-63.6-177.31.300108.9S64 F124Q62-S64 PolarHBondContact O-N 2.95Å; Q62-F124 WeakPolarHBondContact O-CZ 3.41Å
63L89.5Confident91.5Very high40 Ų4077.1 Ų77.121%0.20940%0.395CS..  trans-62.6126.7172.1-69.1170000109.2Y67 F124 A126 I129L63-Y67 HydrophobicContact CD2-CD1 4.33Å; L63-Y67 HydrophobicContact CD2-CE1 4.42Å; L63-F124 HydrophobicContact CD2-CD1 4.17Å; L63-F124 HydrophobicContact CD2-CD2 4.21Å; L63-F124 HydrophobicContact CD2-CE1 4Å; L63-F124 HydrophobicContact CD2-CE2 4.04Å; L63-F124 HydrophobicContact CD2-CG 4.28Å; L63-F124 HydrophobicContact CD2-CZ 3.95Å; L63-F124 HydrophobicContact CG-CE2 4.45Å; L63-F124 HydrophobicContact CG-CZ 4.49Å; L63-A126 HydrophobicContact CD1-CB 3.69Å; L63-I129 HydrophobicContact CD1-CD1 3.92Å; L63-I129 HydrophobicContact CD2-CD1 4.16Å; L63-I129 HydrophobicContact CG-CD1 4.08Å
64S85.2Confident91.5Very high52 Ų5276.4 Ų76.436%0.36439%0.391SS..  trans-74.3145.4-178.364.10000111.3Q62 D66 Y67 L68Q62-S64 PolarHBondContact O-N 2.95Å; S64-D66 PolarHBondContact O-N 3.22Å; S64-Y67 WeakPolarHBondContact O-CB 3.42Å; S64-Y67 PolarHBondContact O-N 3.43Å; S64-Y67 VanDerWaalsContact O-N 3.13Å; S64-Y67 WeakPolarHBondContact OG-CB 3.5Å; S64-Y67 PolarHBondContact OG-N 3.47Å; S64-L68 PolarHBondContact O-N 3.43Å
65P83Confident91.4Very high87 Ų8777.6 Ų77.657%0.56540%0.4SS*.Hα-helixtrans-52.4-42.5168.4-26.635.4000111.9Y67 L68 D69P65-Y67 VanDerWaalsContact C-N 3.26Å; P65-Y67 PolarHBondContact O-N 3.2Å; P65-L68 CarbonylContact O-C 3.44Å; P65-L68 WeakPolarHBondContact O-CA 3.38Å; P65-L68 PolarHBondContact O-N 2.73Å; P65-D69 WeakPolarHBondContact O-CB 3.47Å; P65-D69 VanDerWaalsContact O-CG 3.28Å; P65-D69 PolarHBondContact O-N 2.83Å
66D82.7Confident91.5Very high114 Ų11478.9 Ų78.961%0.6142%0.416SS*.Hα-helixtrans-56-35.3177.5-63.7-9.5000114.2S64 K70S64-D66 PolarHBondContact O-N 3.22Å; D66-K70 WeakPolarHBondContact O-CD 3.48Å; D66-K70 VanDerWaalsContact O-CG 3.27Å; D66-K70 WeakPolarHBondContact O-CG 3.41Å
67Y84.8Confident91.7Very high66 Ų6677.1 Ų77.126%0.25941%0.41SS..Hα-helixtrans-68.4-46.5174.1166.7-97.6000110.4L63 S64 P65 D69L63-Y67 HydrophobicContact CD2-CD1 4.33Å; L63-Y67 HydrophobicContact CD2-CE1 4.42Å; S64-Y67 WeakPolarHBondContact O-CB 3.42Å; S64-Y67 PolarHBondContact O-N 3.43Å; S64-Y67 VanDerWaalsContact O-N 3.13Å; S64-Y67 WeakPolarHBondContact OG-CB 3.5Å; S64-Y67 PolarHBondContact OG-N 3.47Å; P65-Y67 VanDerWaalsContact C-N 3.26Å; P65-Y67 PolarHBondContact O-N 3.2Å; Y67-D69 VanDerWaalsContact C-N 3.35Å; Y67-D69 PolarHBondContact O-N 3.5Å
68L83.1Confident91.7Very high46 Ų4674.5 Ų74.524%0.24139%0.393CS..Hα-helixtrans-69.5-31.7-176.8-62.6174.6000112.6S64 P65 K70 L71 K79S64-L68 PolarHBondContact O-N 3.43Å; P65-L68 CarbonylContact O-C 3.44Å; P65-L68 WeakPolarHBondContact O-CA 3.38Å; P65-L68 PolarHBondContact O-N 2.73Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-L71 HydrophobicContact CD2-CD1 4.45Å; L68-L71 PolarHBondContact O-N 3.02Å; L68-K79 WeakPolarHBondContact O-CD 3.36Å; L68-K79 WeakPolarHBondContact O-CE 3.46Å; L68-K79 PolarHBondContact O-NZ 3.09Å
69D84.6Confident91.8Very high112 Ų11272.3 Ų72.360%0.59938%0.383SS*.Hα-helixtrans-81.1-16.5-175.9-68.5-17.6000113.1P65 Y67 L71 K79P65-D69 WeakPolarHBondContact O-CB 3.47Å; P65-D69 VanDerWaalsContact O-CG 3.28Å; P65-D69 PolarHBondContact O-N 2.83Å; Y67-D69 VanDerWaalsContact C-N 3.35Å; Y67-D69 PolarHBondContact O-N 3.5Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-K79 IonicContact OD1-NZ 2.75Å; D69-K79 PolarHBondContact OD1-NZ 3.15Å
70K87.6Confident91.8Very high175 Ų17566 Ų6676%0.76136%0.356SS*.THydrogen-bonded Turntrans-80.8-11.4172.6-71.4173.2-172.4179.80113.6D66 L68D66-K70 WeakPolarHBondContact O-CD 3.48Å; D66-K70 VanDerWaalsContact O-CG 3.27Å; D66-K70 WeakPolarHBondContact O-CG 3.41Å; L68-K70 VanDerWaalsContact C-N 3.34Å
71L90.9Very high91.8Very high39 Ų3960.2 Ų60.220%0.20433%0.33CS..SBendtrans-71.7136.8-178.9-62.1-179.8000110.6L68 D69 I73 K79 V80L68-L71 HydrophobicContact CD2-CD1 4.45Å; L68-L71 PolarHBondContact O-N 3.02Å; D69-L71 VanDerWaalsContact C-N 3.32Å; L71-I73 PolarHBondContact O-N 2.84Å; L71-K79 HydrophobicContact CB-CB 4.16Å; L71-K79 HydrophobicContact CB-CD 4.3Å; L71-K79 HydrophobicContact CB-CG 4.14Å; L71-K79 HydrophobicContact CD1-CB 4.35Å; L71-K79 HydrophobicContact CD1-CD 4.37Å; L71-V80 HydrophobicContact CB-CG2 4.23Å; L71-V80 HydrophobicContact CD2-CG2 4.47Å
72F94.4Very high91.9Very high63 Ų6359.5 Ų59.528%0.27633%0.325SS..  trans-58.6136.6175.3-176.9-90.5000111.2H24 L74 K79 V80 C208 V209H24-F72 HydrophobicContact CB-CE1 4.48Å; F72-L74 HydrophobicContact CD1-CD2 4.24Å; F72-L74 HydrophobicContact CD1-CG 4.46Å; F72-L74 HydrophobicContact CE1-CD2 4.21Å; F72-K79 WeakPolarHBondContact O-CA 3.3Å; F72-V80 HydrophobicContact CB-CG1 4Å; F72-V80 HydrophobicContact CB-CG2 4.14Å; F72-V80 HydrophobicContact CD1-CG1 3.93Å; F72-V80 HydrophobicContact CG-CG1 4.43Å; F72-V80 PolarHBondContact O-N 3.44Å; F72-C208 HydrophobicContact CE2-CB 4.46Å; F72-C208 WeakPolarHBondContact CE2-O 3.26Å; F72-C208 HydrophobicContact CZ-CB 4.04Å; F72-V209 HydrophobicContact CB-CB 4.49Å; F72-V209 HydrophobicContact CB-CG1 3.93Å; F72-V209 HydrophobicContact CB-CG2 4.24Å; F72-V209 HydrophobicContact CD1-CG2 3.81Å; F72-V209 HydrophobicContact CE1-CG2 4.28Å; F72-V209 HydrophobicContact CG-CB 4.44Å; F72-V209 HydrophobicContact CG-CG1 4.4Å; F72-V209 HydrophobicContact CG-CG2 3.96Å
73I96.2Very high92.1Very high87 Ų8752.3 Ų52.345%0.44629%0.291SS..BIsolated β-bridgetrans-93.9115.4176.8-53.3-57.3000108.9L71 K79L71-I73 PolarHBondContact O-N 2.84Å; I73-K79 HydrophobicContact CD1-CD 4.37Å; I73-K79 HydrophobicContact CD1-CG 3.44Å; I73-K79 VanDerWaalsContact CD1-CG 3.44Å
74L97.1Very high92.5Very high3 Ų350.8 Ų50.82%0.01628%0.283CS..  trans-71.8158.5177-68.4164.2000111P21 H24 W35 F72 G76 G77 N78 V80P21-L74 HydrophobicContact CG-CD1 3.94Å; P21-L74 HydrophobicContact CG-CD2 4.16Å; H24-L74 HydrophobicContact CB-CD2 3.96Å; W35-L74 HydrophobicContact CB-CB 4Å; W35-L74 HydrophobicContact CB-CD1 4.22Å; W35-L74 HydrophobicContact CD2-CD1 4.39Å; W35-L74 HydrophobicContact CG-CB 4.1Å; W35-L74 HydrophobicContact CG-CD1 3.88Å; F72-L74 HydrophobicContact CD1-CD2 4.24Å; F72-L74 HydrophobicContact CD1-CG 4.46Å; F72-L74 HydrophobicContact CE1-CD2 4.21Å; L74-G76 PolarHBondContact O-N 3.22Å; L74-G77 PolarHBondContact O-N 3.43Å; L74-N78 WeakPolarHBondContact CB-O 3.13Å; L74-N78 PolarHBondContact N-O 3.44Å; L74-V80 HydrophobicContact CD1-CG1 4.03Å; L74-V80 HydrophobicContact CD2-CG1 3.84Å; L74-V80 HydrophobicContact CG-CG1 3.75Å
75P96.8Very high93.1Very high36 Ų3652.1 Ų52.123%0.23428%0.282CS..THydrogen-bonded Turntrans-50.3132.3167.1-24.533.9000110.4L34 W35L34-P75 CarbonylContact C-O 3.58Å; L34-P75 WeakPolarHBondContact CA-O 3.4Å; L34-P75 HydrophobicContact CD2-CB 4.15Å; W35-P75 WeakPolarHBondContact CA-O 3.1Å; W35-P75 WeakPolarHBondContact CB-O 3.42Å; W35-P75 PolarHBondContact N-O 2.99Å
76G97.1Very high93.9Very high37 Ų3749.7 Ų49.738%0.38127%0.273SS..THydrogen-bonded Turntrans99.1-13.6-172.400000115W35 L74W35-G76 CarbonylContact O-C 3.6Å; W35-G76 WeakPolarHBondContact O-CA 3.48Å; L74-G76 PolarHBondContact O-N 3.22Å
77G97.2Very high94.7Very high44 Ų4444.3 Ų44.345%0.45424%0.244SC..SBendtrans96.40.3168.800000115.8W35 L74W35-G77 PolarHBondContact O-N 2.95Å; L74-G77 PolarHBondContact O-N 3.43Å
78N97Very high95.3Very high13 Ų1341.1 Ų41.17%0.0723%0.232CC..PPolyproline II helixtrans-87.9157.6174-157.5-7.4000111.7W35 T36 S40 L74W35-N78 HydrophobicContact CB-CB 4.07Å; W35-N78 WeakPolarHBondContact O-CB 3.18Å; W35-N78 PolarHBondContact O-N 2.9Å; T36-N78 PolarHBondContact O-ND2 3.12Å; T36-N78 VanDerWaalsContact O-ND2 3.08Å; S40-N78 PolarHBondContact OG-ND2 2.96Å; L74-N78 WeakPolarHBondContact CB-O 3.13Å; L74-N78 PolarHBondContact N-O 3.44Å
79K96.1Very high96.1Very high46 Ų4641.7 Ų41.720%0.223%0.234CC..BIsolated β-bridgetrans-82.7154.4-179.5-72.8165.2-177.8-173.90111.1T20 L68 D69 L71 F72 I73 E82T20-K79 PolarHBondContact OG1-O 2.96Å; L68-K79 WeakPolarHBondContact O-CD 3.36Å; L68-K79 WeakPolarHBondContact O-CE 3.46Å; L68-K79 PolarHBondContact O-NZ 3.09Å; D69-K79 IonicContact OD1-NZ 2.75Å; D69-K79 PolarHBondContact OD1-NZ 3.15Å; L71-K79 HydrophobicContact CB-CB 4.16Å; L71-K79 HydrophobicContact CB-CD 4.3Å; L71-K79 HydrophobicContact CB-CG 4.14Å; L71-K79 HydrophobicContact CD1-CB 4.35Å; L71-K79 HydrophobicContact CD1-CD 4.37Å; F72-K79 WeakPolarHBondContact O-CA 3.3Å; I73-K79 HydrophobicContact CD1-CD 4.37Å; I73-K79 HydrophobicContact CD1-CG 3.44Å; I73-K79 VanDerWaalsContact CD1-CG 3.44Å; K79-E82 HydrophobicContact CB-CG 3.84Å
80V96.9Very high96.7Very high12 Ų1238.6 Ų38.67%0.07322%0.217CC..THydrogen-bonded Turntrans-60.9146.7168.1-68.60000111.6P21 L71 F72 L74 E82 V209P21-V80 VanDerWaalsContact O-CA 3.31Å; P21-V80 WeakPolarHBondContact O-CA 3.1Å; P21-V80 VanDerWaalsContact O-CB 3.22Å; P21-V80 WeakPolarHBondContact O-CB 3.41Å; P21-V80 WeakPolarHBondContact O-CG1 3.24Å; L71-V80 HydrophobicContact CB-CG2 4.23Å; L71-V80 HydrophobicContact CD2-CG2 4.47Å; F72-V80 HydrophobicContact CB-CG1 4Å; F72-V80 HydrophobicContact CB-CG2 4.14Å; F72-V80 HydrophobicContact CD1-CG1 3.93Å; F72-V80 HydrophobicContact CG-CG1 4.43Å; F72-V80 PolarHBondContact O-N 3.44Å; L74-V80 HydrophobicContact CD1-CG1 4.03Å; L74-V80 HydrophobicContact CD2-CG1 3.84Å; L74-V80 HydrophobicContact CG-CG1 3.75Å; V80-E82 VanDerWaalsContact C-N 3.28Å; V80-E82 PolarHBondContact O-N 3.11Å; V80-V209 HydrophobicContact CG1-CG2 3.94Å
81G97.1Very high97.3Very high4 Ų430.2 Ų30.24%0.04118%0.181CC..THydrogen-bonded Turntrans71.111.6173.200000116.6T20 P21 R127T20-G81 WeakPolarHBondContact O-CA 3.17Å; T20-G81 PolarHBondContact O-N 3.46Å; T20-G81 PolarHBondContact OG1-N 3.14Å; P21-G81 PolarHBondContact O-N 3Å; G81-R127 WeakPolarHBondContact O-CD 3.27Å
82E97.7Very high97.7Very high23 Ų2329.8 Ų29.811%0.10718%0.177CC..PPolyproline II helixtrans-78.4130.4178.9-78.9-64.7144.900111.5R19 T20 K79 V80 T84 K130R19-E82 CarbonylContact C-O 3.47Å; R19-E82 WeakPolarHBondContact CA-O 3.36Å; R19-E82 WeakPolarHBondContact CB-O 3.4Å; T20-E82 HydrophobicContact CG2-CB 4.14Å; T20-E82 PolarHBondContact N-O 2.92Å; T20-E82 PolarHBondContact OG1-N 3.33Å; K79-E82 HydrophobicContact CB-CG 3.84Å; V80-E82 VanDerWaalsContact C-N 3.28Å; V80-E82 PolarHBondContact O-N 3.11Å; E82-T84 PolarHBondContact O-N 2.62Å; E82-K130 IonicContact OE2-NZ 3.57Å
83L98.6Very high97.9Very high0 Ų030.6 Ų30.60%018%0.184CC..BIsolated β-bridgetrans-64.6123.4179.6-166.475.4000110.6A18 S40 Q88 R127 K130 S131A18-L83 WeakPolarHBondContact O-CD1 3.14Å; S40-L83 WeakPolarHBondContact CA-O 3.25Å; S40-L83 WeakPolarHBondContact CB-O 3.33Å; S40-L83 PolarHBondContact OG-O 3.18Å; L83-Q88 HydrophobicContact CD2-CG 3.65Å; L83-Q88 HydrophobicContact CG-CG 4.16Å; L83-R127 HydrophobicContact CB-CB 4.14Å; L83-R127 HydrophobicContact CD1-CB 4.37Å; L83-K130 HydrophobicContact CB-CB 4.47Å; L83-K130 HydrophobicContact CB-CD 4.33Å; L83-K130 HydrophobicContact CD2-CB 3.58Å; L83-S131 WeakPolarHBondContact CD1-OG 3.27Å
84T98.7Very high98Very high7 Ų726.7 Ų26.74%0.04316%0.164CC..PPolyproline II helixtrans-81.4167.7179.567.80000111.2A18 T20 I39 E82 G86 G87 Q88A18-T84 PolarHBondContact O-N 3.3Å; A18-T84 PolarHBondContact O-OG1 3.35Å; T20-T84 HydrophobicContact CG2-CG2 4.35Å; I39-T84 HydrophobicContact CG2-CG2 3.67Å; I39-T84 CarbonylContact O-C 3.58Å; I39-T84 WeakPolarHBondContact O-CA 3.35Å; E82-T84 PolarHBondContact O-N 2.62Å; T84-G86 PolarHBondContact O-N 3.19Å; T84-G86 PolarHBondContact OG1-N 3.41Å; T84-G87 PolarHBondContact O-N 2.76Å; T84-G87 VanDerWaalsContact O-N 3.08Å; T84-G87 PolarHBondContact OG1-N 3.45Å; T84-G87 VanDerWaalsContact OG1-N 3.14Å; T84-Q88 WeakPolarHBondContact O-CG 2.96Å; T84-Q88 PolarHBondContact O-N 3.03Å
85K98.7Very high98.1Very high80 Ų8026.6 Ų26.635%0.34816%0.164SC..Hα-helixtrans-54.4-41.2168.8-75.1175.5173.4160.30112.5E38 I39 T41 L43 G87 Q88 Q89E38-K85 WeakPolarHBondContact O-CE 3.43Å; E38-K85 PolarHBondContact O-NZ 2.76Å; I39-K85 PolarHBondContact O-N 3.36Å; T41-K85 WeakPolarHBondContact O-CG 3.48Å; T41-K85 WeakPolarHBondContact OG1-CE 3.27Å; T41-K85 PolarHBondContact OG1-NZ 3.35Å; L43-K85 HydrophobicContact CD1-CB 4.22Å; L43-K85 WeakPolarHBondContact CD1-O 3.47Å; L43-K85 HydrophobicContact CD2-CB 4.28Å; L43-K85 HydrophobicContact CD2-CD 4.06Å; L43-K85 HydrophobicContact CD2-CG 3.94Å; L43-K85 HydrophobicContact CG-CB 4.23Å; L43-K85 HydrophobicContact CG-CG 4.03Å; K85-G87 VanDerWaalsContact C-N 3.34Å; K85-Q88 PolarHBondContact O-N 2.94Å; K85-Q89 PolarHBondContact O-N 3.35Å
86G98.6Very high98.1Very high37 Ų3727 Ų2738%0.38116%0.163SC..Hα-helixtrans-58.2-47.2173.200000111.3T84 Q88 Q89 D90T84-G86 PolarHBondContact O-N 3.19Å; T84-G86 PolarHBondContact OG1-N 3.41Å; G86-Q88 PolarHBondContact O-N 3.3Å; G86-Q89 CarbonylContact O-C 3.55Å; G86-Q89 WeakPolarHBondContact O-CB 3.38Å; G86-Q89 PolarHBondContact O-N 3.36Å; G86-Q89 VanDerWaalsContact O-N 3.11Å; G86-D90 VanDerWaalsContact O-CG 3.23Å; G86-D90 PolarHBondContact O-N 2.94Å
87G98.8Very high98.2Very high0 Ų028.6 Ų28.60%016%0.158CC..Hα-helixtrans-66.2-34.3177.600000115A18 T84 K85 Q89 D90 A91A18-G87 WeakPolarHBondContact O-CA 3.36Å; T84-G87 PolarHBondContact O-N 2.76Å; T84-G87 VanDerWaalsContact O-N 3.08Å; T84-G87 PolarHBondContact OG1-N 3.45Å; T84-G87 VanDerWaalsContact OG1-N 3.14Å; K85-G87 VanDerWaalsContact C-N 3.34Å; G87-Q89 VanDerWaalsContact C-N 3.32Å; G87-D90 PolarHBondContact O-N 3.28Å; G87-A91 WeakPolarHBondContact O-CB 3.48Å; G87-A91 PolarHBondContact O-N 3.33Å; G87-A91 VanDerWaalsContact O-N 3.08Å
88Q98.9Very high98.2Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-62-43.2170.5-69.5174.666.300110.8T41 D42 L43 T46 L83 T84 K85 G86 A91 F92T41-Q88 PolarHBondContact O-NE2 3.49Å; D42-Q88 VanDerWaalsContact CA-OE1 3.31Å; L43-Q88 HydrophobicContact CD1-CB 4.12Å; T46-Q88 HydrophobicContact CG2-CB 4.26Å; T46-Q88 PolarHBondContact OG1-OE1 3.32Å; T46-Q88 VanDerWaalsContact OG1-OE1 3.11Å; L83-Q88 HydrophobicContact CD2-CG 3.65Å; L83-Q88 HydrophobicContact CG-CG 4.16Å; T84-Q88 WeakPolarHBondContact O-CG 2.96Å; T84-Q88 PolarHBondContact O-N 3.03Å; K85-Q88 PolarHBondContact O-N 2.94Å; G86-Q88 PolarHBondContact O-N 3.3Å; Q88-A91 PolarHBondContact O-N 3.36Å; Q88-F92 WeakPolarHBondContact O-CB 3.21Å; Q88-F92 PolarHBondContact O-N 2.98Å
89Q98.7Very high98.2Very high58 Ų5827.3 Ų27.327%0.27114%0.139SC..Hα-helixtrans-66.2-39.5176.8-169.561.151.900112.2L43 H45 K85 G86 G87 A91 F92 N93L43-Q89 HydrophobicContact CD1-CB 4.41Å; H45-Q89 PolarHBondContact NE2-OE1 3.49Å; K85-Q89 PolarHBondContact O-N 3.35Å; G86-Q89 CarbonylContact O-C 3.55Å; G86-Q89 WeakPolarHBondContact O-CB 3.38Å; G86-Q89 PolarHBondContact O-N 3.36Å; G86-Q89 VanDerWaalsContact O-N 3.11Å; G87-Q89 VanDerWaalsContact C-N 3.32Å; Q89-A91 PolarHBondContact O-N 2.93Å; Q89-F92 PolarHBondContact O-N 2.84Å; Q89-N93 PolarHBondContact NE2-OD1 2.87Å; Q89-N93 WeakPolarHBondContact O-CB 3.5Å; Q89-N93 PolarHBondContact O-N 2.62Å; Q89-N93 PolarHBondContact O-ND2 3.47Å; Q89-N93 PolarHBondContact O-OD1 2.91Å
90D98.6Very high98.2Very high46 Ų4630.5 Ų30.525%0.24615%0.153CC..Hα-helixtrans-58.4-48.9175.4-63.4-29.9000111G86 G87 N93 L94 A323G86-D90 VanDerWaalsContact O-CG 3.23Å; G86-D90 PolarHBondContact O-N 2.94Å; G87-D90 PolarHBondContact O-N 3.28Å; D90-N93 PolarHBondContact O-N 2.9Å; D90-L94 PolarHBondContact O-N 3.26Å; D90-A323 HydrophobicContact CB-CB 3.67Å
91A98.9Very high98.2Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-66.7-38.7178.400000112.3G87 Q88 Q89 L94 G95 C134 V135G87-A91 WeakPolarHBondContact O-CB 3.48Å; G87-A91 PolarHBondContact O-N 3.33Å; G87-A91 VanDerWaalsContact O-N 3.08Å; Q88-A91 PolarHBondContact O-N 3.36Å; Q89-A91 PolarHBondContact O-N 2.93Å; A91-L94 WeakPolarHBondContact O-CB 3.44Å; A91-L94 PolarHBondContact O-N 3.38Å; A91-G95 PolarHBondContact O-N 3.01Å; A91-C134 HydrophobicContact CB-CB 3.62Å; A91-V135 HydrophobicContact CB-CG2 4.16Å; A91-V135 WeakPolarHBondContact O-CA 3.28Å; A91-V135 VanDerWaalsContact O-CG2 3.27Å; A91-V135 WeakPolarHBondContact O-CG2 3.4Å
92F98.8Very high98.2Very high30 Ų3031.8 Ų31.813%0.13216%0.157CC..Hα-helixtrans-61.7-43.7172.6-179.2-90.5000112H45 T46 Q88 Q89 L94 G95 I96 C134 A137 G138H45-F92 WeakPolarHBondContact O-CE2 3.46Å; T46-F92 HydrophobicContact CG2-CB 3.98Å; T46-F92 HydrophobicContact CG2-CD2 4.11Å; T46-F92 HydrophobicContact CG2-CG 4.23Å; Q88-F92 WeakPolarHBondContact O-CB 3.21Å; Q88-F92 PolarHBondContact O-N 2.98Å; Q89-F92 PolarHBondContact O-N 2.84Å; F92-L94 VanDerWaalsContact C-N 3.3Å; F92-L94 PolarHBondContact O-N 3.03Å; F92-G95 WeakPolarHBondContact O-CA 3.02Å; F92-G95 PolarHBondContact O-N 2.79Å; F92-I96 HydrophobicContact CD1-CG1 3.95Å; F92-I96 HydrophobicContact CE1-CD1 3.87Å; F92-I96 HydrophobicContact CE1-CG1 3.57Å; F92-I96 HydrophobicContact CZ-CD1 3.98Å; F92-I96 HydrophobicContact CZ-CG1 4.12Å; F92-I96 WeakPolarHBondContact O-CG1 3.44Å; F92-I96 PolarHBondContact O-N 3.22Å; F92-C134 WeakPolarHBondContact CA-O 3.44Å; F92-A137 HydrophobicContact CD2-CB 4.01Å; F92-A137 HydrophobicContact CE2-CB 4.18Å; F92-G138 VanDerWaalsContact CE2-CA 3.44Å
93N98.8Very high98Very high80 Ų8031.1 Ų31.143%0.42815%0.154SC..Hα-helixtrans-63.6-35.9177.3-70.4-17.5000112.1Q89 D90 I96 R97Q89-N93 PolarHBondContact NE2-OD1 2.87Å; Q89-N93 WeakPolarHBondContact O-CB 3.5Å; Q89-N93 PolarHBondContact O-N 2.62Å; Q89-N93 PolarHBondContact O-ND2 3.47Å; Q89-N93 PolarHBondContact O-OD1 2.91Å; D90-N93 PolarHBondContact O-N 2.9Å; N93-I96 PolarHBondContact O-N 2.96Å; N93-R97 PolarHBondContact O-N 2.87Å
94L98.9Very high97.7Very high5 Ų535.8 Ų35.83%0.02618%0.176CC..Hα-helixtrans-58.8-47.9168.8171.761.7000110.5F14 D90 A91 F92 I96 R97 L98 V135 D325F14-L94 HydrophobicContact CB-CD2 3.57Å; F14-L94 HydrophobicContact CD1-CD2 4.37Å; F14-L94 HydrophobicContact CD2-CD2 3.85Å; F14-L94 HydrophobicContact CG-CD2 3.67Å; D90-L94 PolarHBondContact O-N 3.26Å; A91-L94 WeakPolarHBondContact O-CB 3.44Å; A91-L94 PolarHBondContact O-N 3.38Å; F92-L94 VanDerWaalsContact C-N 3.3Å; F92-L94 PolarHBondContact O-N 3.03Å; L94-I96 VanDerWaalsContact C-N 3.32Å; L94-I96 PolarHBondContact O-N 3.49Å; L94-R97 WeakPolarHBondContact O-CB 3.31Å; L94-R97 PolarHBondContact O-N 3.13Å; L94-R97 VanDerWaalsContact O-N 3.1Å; L94-L98 HydrophobicContact CD1-CD1 4.27Å; L94-L98 HydrophobicContact CD1-CD2 4.46Å; L94-L98 HydrophobicContact CD1-CG 4.14Å; L94-L98 HydrophobicContact CG-CD1 4.25Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 3.44Å; L94-V135 HydrophobicContact CB-CG2 4.39Å; L94-V135 HydrophobicContact CD2-CG2 3.92Å; L94-V135 HydrophobicContact CG-CG2 4.22Å; L94-D325 HydrophobicContact CD1-CB 4.11Å
95G98.6Very high97.4Very high0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-54.3-44.8173.900000113.6A91 F92 R97 L98 K99 V135A91-G95 PolarHBondContact O-N 3.01Å; F92-G95 WeakPolarHBondContact O-CA 3.02Å; F92-G95 PolarHBondContact O-N 2.79Å; G95-R97 PolarHBondContact O-N 3.08Å; G95-L98 PolarHBondContact O-N 2.66Å; G95-K99 WeakPolarHBondContact O-CB 3.3Å; G95-K99 PolarHBondContact O-N 3.41Å; G95-V135 VanDerWaalsContact CA-O 3.3Å; G95-V135 WeakPolarHBondContact CA-O 3.31Å
96I98.1Very high97Very high44 Ų4440.7 Ų40.723%0.22621%0.21CC..Hα-helixtrans-63.6-39.7176.2-65.2-71.9000111.7F92 N93 L94 K99 K100 G138F92-I96 HydrophobicContact CD1-CG1 3.95Å; F92-I96 HydrophobicContact CE1-CD1 3.87Å; F92-I96 HydrophobicContact CE1-CG1 3.57Å; F92-I96 HydrophobicContact CZ-CD1 3.98Å; F92-I96 HydrophobicContact CZ-CG1 4.12Å; F92-I96 WeakPolarHBondContact O-CG1 3.44Å; F92-I96 PolarHBondContact O-N 3.22Å; N93-I96 PolarHBondContact O-N 2.96Å; L94-I96 VanDerWaalsContact C-N 3.32Å; L94-I96 PolarHBondContact O-N 3.49Å; I96-K99 WeakPolarHBondContact O-CB 3.04Å; I96-K99 PolarHBondContact O-N 2.94Å; I96-K100 HydrophobicContact CG2-CD 4.48Å; I96-K100 WeakPolarHBondContact O-CG 3.15Å; I96-K100 PolarHBondContact O-N 2.83Å; I96-G138 VanDerWaalsContact CD1-O 3.28Å; I96-G138 WeakPolarHBondContact CD1-O 3.39Å
97R98.2Very high96.6Very high72 Ų7245.2 Ų45.227%0.27223%0.226SC..Hα-helixtrans-64.1-43.5175.4176.5165.154.395.9-10.7111.3N93 L94 G95 K99 K100 Q101 D325N93-R97 PolarHBondContact O-N 2.87Å; L94-R97 WeakPolarHBondContact O-CB 3.31Å; L94-R97 PolarHBondContact O-N 3.13Å; L94-R97 VanDerWaalsContact O-N 3.1Å; G95-R97 PolarHBondContact O-N 3.08Å; R97-K99 VanDerWaalsContact C-N 3.33Å; R97-K99 PolarHBondContact O-N 3.29Å; R97-K100 PolarHBondContact O-N 2.81Å; R97-Q101 WeakPolarHBondContact O-CB 3.42Å; R97-Q101 PolarHBondContact O-N 3.32Å; R97-D325 IonicContact CZ-OD1 2.79Å; R97-D325 IonicContact CZ-OD2 3.13Å; R97-D325 IonicContact NH1-OD1 2.66Å; R97-D325 IonicContact NH1-OD2 2.62Å; R97-D325 PolarHBondContact NH1-OD2 2.86Å; R97-D325 IonicContact NH2-OD1 2.78Å; R97-D325 PolarHBondContact NH2-OD1 2.84Å; R97-D325 IonicContact NH2-OD2 3.41Å; R97-D325 PolarHBondContact NH2-OD2 2.91Å; R97-D325 VanDerWaalsContact NH2-OD2 3.16Å
98L98.4Very high96.5Very high0 Ų046.7 Ų46.70%023%0.232CC..Hα-helixtrans-63.9-38.3176-62.9175.8000111.5V12 L94 G95 Q101 Y102 V135 L139 F295 L297 I327V12-L98 HydrophobicContact CG1-CD1 4.45Å; V12-L98 HydrophobicContact CG2-CD1 4.47Å; V12-L98 HydrophobicContact CG2-CD2 4.13Å; L94-L98 HydrophobicContact CD1-CD1 4.27Å; L94-L98 HydrophobicContact CD1-CD2 4.46Å; L94-L98 HydrophobicContact CD1-CG 4.14Å; L94-L98 HydrophobicContact CG-CD1 4.25Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 3.44Å; G95-L98 PolarHBondContact O-N 2.66Å; L98-Q101 PolarHBondContact O-N 2.7Å; L98-Y102 HydrophobicContact CB-CD2 4.28Å; L98-Y102 HydrophobicContact CD2-CD2 4.04Å; L98-Y102 HydrophobicContact CD2-CE2 3.63Å; L98-Y102 WeakPolarHBondContact O-CB 3.3Å; L98-Y102 WeakPolarHBondContact O-CD2 3.35Å; L98-Y102 PolarHBondContact O-N 2.85Å; L98-V135 HydrophobicContact CD1-CG1 4.02Å; L98-L139 HydrophobicContact CB-CD1 3.99Å; L98-F295 HydrophobicContact CB-CZ 4.5Å; L98-F295 HydrophobicContact CD1-CZ 4.36Å; L98-F295 HydrophobicContact CD2-CZ 4.43Å; L98-L297 HydrophobicContact CD1-CD2 3.89Å; L98-I327 HydrophobicContact CD2-CD1 3.91Å
99K96.4Very high96.3Very high29 Ų2946.9 Ų46.913%0.12623%0.233CC..Iπ-helixtrans-57.4-53.3173.3-174.6-176.5172.4-175.70110.7G95 I96 R97 Q101 K103 E104 L139 D142G95-K99 WeakPolarHBondContact O-CB 3.3Å; G95-K99 PolarHBondContact O-N 3.41Å; I96-K99 WeakPolarHBondContact O-CB 3.04Å; I96-K99 PolarHBondContact O-N 2.94Å; R97-K99 VanDerWaalsContact C-N 3.33Å; R97-K99 PolarHBondContact O-N 3.29Å; K99-Q101 VanDerWaalsContact C-N 3.34Å; K99-Q101 PolarHBondContact O-N 3.29Å; K99-K103 HydrophobicContact CG-CB 4.43Å; K99-K103 HydrophobicContact CG-CD 3.97Å; K99-K103 WeakPolarHBondContact O-CA 3.46Å; K99-K103 WeakPolarHBondContact O-CB 3.31Å; K99-K103 PolarHBondContact O-N 3.48Å; K99-E104 VanDerWaalsContact CE-OE1 3.24Å; K99-E104 WeakPolarHBondContact CE-OE1 3.43Å; K99-E104 PolarHBondContact O-N 2.96Å; K99-E104 VanDerWaalsContact O-N 3.09Å; K99-L139 VanDerWaalsContact CA-CD1 3.45Å; K99-L139 HydrophobicContact CB-CD1 3.83Å; K99-L139 VanDerWaalsContact N-CD1 3.28Å; K99-D142 IonicContact NZ-OD2 3.26Å; K99-D142 PolarHBondContact NZ-OD2 3.27Å
100K96.7Very high95.9Very high114 Ų11446.2 Ų46.250%0.49623%0.234SC..Iπ-helixtrans-56.3-48.2178.1-72.2176.7178-174.80111.7I96 R97 E104 N105I96-K100 HydrophobicContact CG2-CD 4.48Å; I96-K100 WeakPolarHBondContact O-CG 3.15Å; I96-K100 PolarHBondContact O-N 2.83Å; R97-K100 PolarHBondContact O-N 2.81Å; K100-E104 WeakPolarHBondContact CG-OE2 3.31Å; K100-N105 VanDerWaalsContact O-CB 3.28Å; K100-N105 WeakPolarHBondContact O-CB 3.47Å; K100-N105 PolarHBondContact O-N 2.9Å; K100-N105 PolarHBondContact O-ND2 3.12Å
101Q96.6Very high95.5Very high41 Ų4151.8 Ų51.819%0.19225%0.253CS..Iπ-helixtrans-69-51.5-175.4-177.7169.6-12.400113R97 L98 K99 S106 E329R97-Q101 WeakPolarHBondContact O-CB 3.42Å; R97-Q101 PolarHBondContact O-N 3.32Å; L98-Q101 PolarHBondContact O-N 2.7Å; K99-Q101 VanDerWaalsContact C-N 3.34Å; K99-Q101 PolarHBondContact O-N 3.29Å; Q101-S106 PolarHBondContact O-N 3.43Å; Q101-S106 PolarHBondContact O-OG 3.41Å; Q101-E329 PolarHBondContact NE2-OE1 3.28Å
102Y97.3Very high95Very high1 Ų154.7 Ų54.70%0.00427%0.27CS..Iπ-helixtrans-100.2-18.5-166.8-61.9-69.1000114.1L7 V10 L98 S106 F108 L109 F295 I327 E329L7-Y102 HydrophobicContact CD2-CD1 3.97Å; L7-Y102 HydrophobicContact CD2-CE1 4.02Å; V10-Y102 HydrophobicContact CB-CE1 4.31Å; V10-Y102 HydrophobicContact CG1-CE1 3.93Å; V10-Y102 HydrophobicContact CG1-CE2 4.05Å; V10-Y102 WeakPolarHBondContact CG1-OH 3.44Å; V10-Y102 HydrophobicContact CG2-CD1 3.8Å; V10-Y102 HydrophobicContact CG2-CE1 3.39Å; L98-Y102 HydrophobicContact CB-CD2 4.28Å; L98-Y102 HydrophobicContact CD2-CD2 4.04Å; L98-Y102 HydrophobicContact CD2-CE2 3.63Å; L98-Y102 WeakPolarHBondContact O-CB 3.3Å; L98-Y102 WeakPolarHBondContact O-CD2 3.35Å; L98-Y102 PolarHBondContact O-N 2.85Å; Y102-S106 VanDerWaalsContact CA-OG 3.29Å; Y102-S106 WeakPolarHBondContact CA-OG 3.49Å; Y102-S106 PolarHBondContact O-OG 2.81Å; Y102-F108 HydrophobicContact CD1-CD1 4.18Å; Y102-F108 CarbonylContact O-C 3.51Å; Y102-F108 WeakPolarHBondContact O-CA 3.21Å; Y102-F108 WeakPolarHBondContact O-CB 3.37Å; Y102-F108 PolarHBondContact O-N 3.46Å; Y102-L109 PolarHBondContact O-N 2.94Å; Y102-F295 HydrophobicContact CD1-CE2 4.26Å; Y102-F295 AromaticContact CD2-CE2 3.5Å; Y102-F295 HydrophobicContact CD2-CE2 3.5Å; Y102-F295 VanDerWaalsContact CD2-CE2 3.5Å; Y102-F295 AromaticContact CD2-CZ 3.88Å; Y102-F295 HydrophobicContact CD2-CZ 3.88Å; Y102-F295 AromaticContact CE2-CE2 3.92Å; Y102-F295 HydrophobicContact CE2-CE2 3.92Å; Y102-F295 HydrophobicContact CE2-CZ 4.23Å; Y102-F295 AromaticContact CG-CE2 3.67Å; Y102-F295 HydrophobicContact CG-CE2 3.67Å; Y102-F295 HydrophobicContact CG-CZ 4.46Å; Y102-I327 HydrophobicContact CE2-CD1 4.38Å; Y102-I327 WeakPolarHBondContact OH-CG2 3.49Å; Y102-E329 HydrophobicContact CE1-CG 4.36Å; Y102-E329 WeakPolarHBondContact CE1-OE1 3.37Å; Y102-E329 PolarHBondContact OH-OE1 3.13Å
103K92.5Very high94.6Very high9 Ų953.9 Ų53.94%0.03927%0.267CS..Iπ-helixtrans-105.9-52.1-179.9-166.3-174.3-175.6174.10111.4K99 N107 L109 P110 Y111 Y140 N143K99-K103 HydrophobicContact CG-CB 4.43Å; K99-K103 HydrophobicContact CG-CD 3.97Å; K99-K103 WeakPolarHBondContact O-CA 3.46Å; K99-K103 WeakPolarHBondContact O-CB 3.31Å; K99-K103 PolarHBondContact O-N 3.48Å; K103-N107 WeakPolarHBondContact O-CA 3.28Å; K103-N107 PolarHBondContact O-N 3.35Å; K103-N107 PolarHBondContact O-OD1 2.89Å; K103-L109 HydrophobicContact CB-CB 4.36Å; K103-P110 WeakPolarHBondContact CE-O 3.28Å; K103-Y111 WeakPolarHBondContact CE-O 3.46Å; K103-Y111 PolarHBondContact NZ-O 3.49Å; K103-Y140 HydrophobicContact CD-CE1 4.39Å; K103-N143 PolarHBondContact NZ-ND2 3.03Å; K103-N143 VanDerWaalsContact NZ-ND2 3.2Å
104E93.3Very high94.2Very high98 Ų9854.1 Ų54.146%0.45827%0.265SS..Iπ-helixtrans-83.8-46-171.9-61.3170.3-174.400112.6K99 K100K99-E104 VanDerWaalsContact CE-OE1 3.24Å; K99-E104 WeakPolarHBondContact CE-OE1 3.43Å; K99-E104 PolarHBondContact O-N 2.96Å; K99-E104 VanDerWaalsContact O-N 3.09Å; K100-E104 WeakPolarHBondContact CG-OE2 3.31Å
105N92.2Very high93.8Very high131 Ų13157.7 Ų57.770%0.70129%0.289SS*.Iπ-helixtrans-84.4-35.9-173.7-68-12.9000113.7K100K100-N105 VanDerWaalsContact O-CB 3.28Å; K100-N105 WeakPolarHBondContact O-CB 3.47Å; K100-N105 PolarHBondContact O-N 2.9Å; K100-N105 PolarHBondContact O-ND2 3.12Å
106S89.1Confident93.5Very high60 Ų6061.8 Ų61.842%0.4232%0.318SS..SBendtrans-111-12-173.956.90000114.4Q101 Y102 F108Q101-S106 PolarHBondContact O-N 3.43Å; Q101-S106 PolarHBondContact O-OG 3.41Å; Y102-S106 VanDerWaalsContact CA-OG 3.29Å; Y102-S106 WeakPolarHBondContact CA-OG 3.49Å; Y102-S106 PolarHBondContact O-OG 2.81Å; S106-F108 PolarHBondContact O-N 2.95Å
107N91.1Very high93.3Very high132 Ų13262.5 Ų62.571%0.70632%0.32SS*.  trans50.124.8-171.3-59.1-62.1000113.7K103K103-N107 WeakPolarHBondContact O-CA 3.28Å; K103-N107 PolarHBondContact O-N 3.35Å; K103-N107 PolarHBondContact O-OD1 2.89Å
108F96Very high93.3Very high30 Ų3059.8 Ų59.813%0.13231%0.31CS..  trans-67.5-42.9179176.8-112.7000110.9L7 V10 Y102 S106 Q294 F295L7-F108 HydrophobicContact CB-CD2 3.98Å; L7-F108 HydrophobicContact CB-CE2 4.17Å; L7-F108 HydrophobicContact CD2-CB 3.95Å; L7-F108 HydrophobicContact CD2-CD1 3.75Å; L7-F108 HydrophobicContact CD2-CD2 3.68Å; L7-F108 HydrophobicContact CD2-CE1 4.12Å; L7-F108 HydrophobicContact CD2-CE2 4.06Å; L7-F108 HydrophobicContact CD2-CG 3.5Å; L7-F108 HydrophobicContact CD2-CZ 4.25Å; L7-F108 HydrophobicContact CG-CD1 4.38Å; L7-F108 HydrophobicContact CG-CD2 3.7Å; L7-F108 HydrophobicContact CG-CE1 4.35Å; L7-F108 HydrophobicContact CG-CE2 3.67Å; L7-F108 HydrophobicContact CG-CG 4.06Å; L7-F108 HydrophobicContact CG-CZ 3.99Å; L7-F108 WeakPolarHBondContact O-CE2 3.01Å; V10-F108 HydrophobicContact CB-CE1 4.26Å; V10-F108 HydrophobicContact CG2-CD1 3.99Å; V10-F108 HydrophobicContact CG2-CE1 3.49Å; V10-F108 VanDerWaalsContact CG2-CE1 3.49Å; V10-F108 HydrophobicContact CG2-CZ 4.14Å; Y102-F108 HydrophobicContact CD1-CD1 4.18Å; Y102-F108 CarbonylContact O-C 3.51Å; Y102-F108 WeakPolarHBondContact O-CA 3.21Å; Y102-F108 WeakPolarHBondContact O-CB 3.37Å; Y102-F108 PolarHBondContact O-N 3.46Å; S106-F108 PolarHBondContact O-N 2.95Å; F108-Q294 HydrophobicContact CE1-CB 4.38Å; F108-Q294 HydrophobicContact CE1-CG 4.03Å; F108-Q294 HydrophobicContact CE2-CB 4.44Å; F108-Q294 HydrophobicContact CE2-CG 4.44Å; F108-Q294 HydrophobicContact CZ-CB 3.73Å; F108-Q294 HydrophobicContact CZ-CG 3.76Å; F108-Q294 PolarHBondContact O-NE2 2.58Å; F108-F295 HydrophobicContact CD1-CD2 4.39Å; F108-F295 HydrophobicContact CE1-CD2 4.09Å
109L95.1Very high93.3Very high4 Ų461.5 Ų61.52%0.02132%0.317CS..SBendtrans-94.1141.6174-69.2179.6000111.3Y102 K103 F118 L139 F295Y102-L109 PolarHBondContact O-N 2.94Å; K103-L109 HydrophobicContact CB-CB 4.36Å; L109-F118 HydrophobicContact CD1-CE1 4.22Å; L109-F118 HydrophobicContact CD1-CZ 3.8Å; L109-F118 HydrophobicContact CD2-CE1 4.3Å; L109-F118 HydrophobicContact CD2-CE2 4.1Å; L109-F118 HydrophobicContact CD2-CZ 3.57Å; L109-F118 HydrophobicContact CG-CZ 4.25Å; L109-L139 HydrophobicContact CD1-CD1 4.39Å; L109-L139 HydrophobicContact CD1-CD2 4.43Å; L109-F295 HydrophobicContact CD1-CD1 4.48Å; L109-F295 HydrophobicContact CD1-CD2 3.83Å; L109-F295 HydrophobicContact CD1-CE1 4.5Å; L109-F295 HydrophobicContact CD1-CE2 3.89Å; L109-F295 HydrophobicContact CD1-CG 4.15Å; L109-F295 HydrophobicContact CD1-CZ 4.23Å; L109-F295 HydrophobicContact CD2-CB 3.78Å; L109-F295 HydrophobicContact CD2-CD2 3.91Å; L109-F295 HydrophobicContact CD2-CG 3.94Å; L109-F295 HydrophobicContact CG-CD2 4.08Å; L109-F295 HydrophobicContact CG-CG 4.49Å
110P91.1Very high93.4Very high44 Ų4460.5 Ų60.529%0.28631%0.313SS..  trans-66.8157.2178.728.2-35000112.6K103 T112 Q114 Y140K103-P110 WeakPolarHBondContact CE-O 3.28Å; P110-T112 VanDerWaalsContact C-N 3.34Å; P110-T112 WeakPolarHBondContact CG-O 3.01Å; P110-T112 PolarHBondContact O-N 3.09Å; P110-Q114 HydrophobicContact CB-CG 4.34Å; P110-Q114 HydrophobicContact CG-CB 4.19Å; P110-Q114 HydrophobicContact CG-CG 3.78Å; P110-Y140 PolarHBondContact O-OH 3.35Å; P110-Y140 VanDerWaalsContact O-OH 3.08Å
111Y88.9Confident93.5Very high164 Ų16455.7 Ų55.764%0.64329%0.291SS*.SBendtrans-64.2-39.8177.8-172-97.9000112.8K103 N143K103-Y111 WeakPolarHBondContact CE-O 3.46Å; K103-Y111 PolarHBondContact NZ-O 3.49Å; Y111-N143 WeakPolarHBondContact CD1-ND2 3.49Å; Y111-N143 WeakPolarHBondContact CE1-ND2 3.45Å; Y111-N143 PolarHBondContact O-ND2 3.41Å; Y111-N143 VanDerWaalsContact O-ND2 3.09Å; Y111-N143 PolarHBondContact OH-OD1 2.85Å
112T89.3Confident93.6Very high61 Ų6153.7 Ų53.737%0.37428%0.282SS..SBendtrans-95.6135.6174.8-54.40000109.2P110 Q114P110-T112 VanDerWaalsContact C-N 3.34Å; P110-T112 WeakPolarHBondContact CG-O 3.01Å; P110-T112 PolarHBondContact O-N 3.09Å; T112-Q114 PolarHBondContact O-N 3.15Å
113F90.7Very high93.6Very high13 Ų1353.7 Ų53.76%0.05728%0.282CS..  trans-58.3131.2178.1-179.2-108.6000111.2P115 F118 M136 Y140 L146 V150F113-P115 HydrophobicContact CD1-CG 4.15Å; F113-P115 HydrophobicContact CE1-CB 4.16Å; F113-P115 HydrophobicContact CE1-CG 3.72Å; F113-F118 AromaticContact CD2-CD2 3.93Å; F113-F118 HydrophobicContact CD2-CD2 3.93Å; F113-F118 AromaticContact CD2-CE2 3.83Å; F113-F118 HydrophobicContact CD2-CE2 3.83Å; F113-F118 HydrophobicContact CD2-CZ 4.41Å; F113-F118 HydrophobicContact CE2-CB 4.28Å; F113-F118 HydrophobicContact CE2-CD1 4.24Å; F113-F118 AromaticContact CE2-CD2 3.35Å; F113-F118 HydrophobicContact CE2-CD2 3.35Å; F113-F118 AromaticContact CE2-CE2 3.71Å; F113-F118 HydrophobicContact CE2-CE2 3.71Å; F113-F118 AromaticContact CE2-CG 3.68Å; F113-F118 HydrophobicContact CE2-CG 3.68Å; F113-F118 HydrophobicContact CE2-CZ 4.3Å; F113-F118 HydrophobicContact CZ-CB 4.47Å; F113-F118 HydrophobicContact CZ-CD2 4.14Å; F113-F118 HydrophobicContact CZ-CG 4.33Å; F113-M136 HydrophobicContact CD2-CE 4.07Å; F113-M136 HydrophobicContact CE2-CE 3.5Å; F113-M136 HydrophobicContact CZ-CE 4.05Å; F113-Y140 HydrophobicContact CB-CD1 3.69Å; F113-Y140 HydrophobicContact CB-CD2 4.36Å; F113-Y140 HydrophobicContact CB-CE1 3.96Å; F113-Y140 HydrophobicContact CB-CG 3.9Å; F113-Y140 HydrophobicContact CD2-CD1 4.43Å; F113-Y140 AromaticContact CD2-CD2 3.6Å; F113-Y140 HydrophobicContact CD2-CD2 3.6Å; F113-Y140 HydrophobicContact CD2-CE1 4.48Å; F113-Y140 AromaticContact CD2-CE2 3.69Å; F113-Y140 HydrophobicContact CD2-CE2 3.69Å; F113-Y140 HydrophobicContact CD2-CG 4Å; F113-Y140 HydrophobicContact CE2-CD2 4.4Å; F113-Y140 HydrophobicContact CE2-CE2 4.46Å; F113-Y140 HydrophobicContact CG-CD2 4.39Å; F113-Y140 HydrophobicContact CG-CG 4.35Å; F113-L146 HydrophobicContact CD1-CD2 3.5Å; F113-L146 HydrophobicContact CE1-CD2 3.96Å; F113-V150 HydrophobicContact CD1-CG2 4.34Å; F113-V150 HydrophobicContact CE1-CB 4.44Å; F113-V150 HydrophobicContact CE1-CG1 4Å; F113-V150 HydrophobicContact CE1-CG2 3.5Å; F113-V150 HydrophobicContact CZ-CG1 3.77Å; F113-V150 HydrophobicContact CZ-CG2 4Å
114Q90.4Very high93.8Very high84 Ų8455.5 Ų55.539%0.39329%0.29SS..  trans-123.8105.6177.1-65-58.9-44.800108.1P110 T112 S116 Q117 F118P110-Q114 HydrophobicContact CB-CG 4.34Å; P110-Q114 HydrophobicContact CG-CB 4.19Å; P110-Q114 HydrophobicContact CG-CG 3.78Å; T112-Q114 PolarHBondContact O-N 3.15Å; Q114-S116 PolarHBondContact O-N 2.88Å; Q114-S116 VanDerWaalsContact O-N 3.09Å; Q114-Q117 HydrophobicContact CB-CB 4.38Å; Q114-Q117 HydrophobicContact CB-CG 3.75Å; Q114-Q117 WeakPolarHBondContact O-CB 3.24Å; Q114-Q117 PolarHBondContact O-N 2.86Å; Q114-F118 WeakPolarHBondContact O-CD2 3.3Å
115P90.5Very high93.9Very high81 Ų8151.6 Ų51.653%0.52627%0.272SS..G310 helixtrans-52.8-35.6-175.4-26.631.3000113.8F113 Q117 F118F113-P115 HydrophobicContact CD1-CG 4.15Å; F113-P115 HydrophobicContact CE1-CB 4.16Å; F113-P115 HydrophobicContact CE1-CG 3.72Å; P115-Q117 PolarHBondContact O-N 2.84Å; P115-Q117 VanDerWaalsContact O-N 3.14Å; P115-F118 PolarHBondContact O-N 3.38Å; P115-F118 VanDerWaalsContact O-N 3.07Å
116S92.7Very high94.2Very high86 Ų8645.9 Ų45.960%0.60124%0.243SC*.G310 helixtrans-64-16.1178.858.20000114.8Q114Q114-S116 PolarHBondContact O-N 2.88Å; Q114-S116 VanDerWaalsContact O-N 3.09Å
117Q93.9Very high94.6Very high58 Ų5844.4 Ų44.427%0.27123%0.229SC..G310 helixtrans-88.6-8.1177.5-60.4-61.6-48.100112.8Q114 P115 Q294 F295Q114-Q117 HydrophobicContact CB-CB 4.38Å; Q114-Q117 HydrophobicContact CB-CG 3.75Å; Q114-Q117 WeakPolarHBondContact O-CB 3.24Å; Q114-Q117 PolarHBondContact O-N 2.86Å; P115-Q117 PolarHBondContact O-N 2.84Å; P115-Q117 VanDerWaalsContact O-N 3.14Å; Q117-Q294 HydrophobicContact CB-CG 4.42Å; Q117-Q294 PolarHBondContact O-N 2.78Å; Q117-Q294 VanDerWaalsContact OE1-CG 3.23Å; Q117-F295 PolarHBondContact O-N 2.88Å
118F96.6Very high94.9Very high15 Ų1538.1 Ų38.17%0.06620%0.195CC..EExtended strand (participates in β ladder)trans-118.7139.4-172.8-71.1-95.3000113L109 F113 Q114 P115 L120 L139 Y140 F295L109-F118 HydrophobicContact CD1-CE1 4.22Å; L109-F118 HydrophobicContact CD1-CZ 3.8Å; L109-F118 HydrophobicContact CD2-CE1 4.3Å; L109-F118 HydrophobicContact CD2-CE2 4.1Å; L109-F118 HydrophobicContact CD2-CZ 3.57Å; L109-F118 HydrophobicContact CG-CZ 4.25Å; F113-F118 AromaticContact CD2-CD2 3.93Å; F113-F118 HydrophobicContact CD2-CD2 3.93Å; F113-F118 AromaticContact CD2-CE2 3.83Å; F113-F118 HydrophobicContact CD2-CE2 3.83Å; F113-F118 HydrophobicContact CD2-CZ 4.41Å; F113-F118 HydrophobicContact CE2-CB 4.28Å; F113-F118 HydrophobicContact CE2-CD1 4.24Å; F113-F118 AromaticContact CE2-CD2 3.35Å; F113-F118 HydrophobicContact CE2-CD2 3.35Å; F113-F118 AromaticContact CE2-CE2 3.71Å; F113-F118 HydrophobicContact CE2-CE2 3.71Å; F113-F118 AromaticContact CE2-CG 3.68Å; F113-F118 HydrophobicContact CE2-CG 3.68Å; F113-F118 HydrophobicContact CE2-CZ 4.3Å; F113-F118 HydrophobicContact CZ-CB 4.47Å; F113-F118 HydrophobicContact CZ-CD2 4.14Å; F113-F118 HydrophobicContact CZ-CG 4.33Å; Q114-F118 WeakPolarHBondContact O-CD2 3.3Å; P115-F118 PolarHBondContact O-N 3.38Å; P115-F118 VanDerWaalsContact O-N 3.07Å; F118-L120 HydrophobicContact CB-CD2 4.02Å; F118-L120 HydrophobicContact CB-CG 4.1Å; F118-L120 HydrophobicContact CD1-CD2 3.97Å; F118-L120 HydrophobicContact CG-CD2 4.43Å; F118-L139 HydrophobicContact CE1-CD2 3.85Å; F118-L139 HydrophobicContact CZ-CD2 4.36Å; F118-Y140 HydrophobicContact CE1-CE2 4.13Å; F118-Y140 AromaticContact CE2-CE2 3.92Å; F118-Y140 HydrophobicContact CE2-CE2 3.92Å; F118-Y140 HydrophobicContact CZ-CD2 4.47Å; F118-Y140 AromaticContact CZ-CE2 3.41Å; F118-Y140 HydrophobicContact CZ-CE2 3.41Å; F118-Y140 VanDerWaalsContact CZ-CE2 3.41Å; F118-Y140 AromaticContact CZ-CZ 3.95Å; F118-F295 CarbonylContact C-O 3.58Å; F118-F295 VanDerWaalsContact CA-O 3.27Å; F118-F295 WeakPolarHBondContact CA-O 3.42Å; F118-F295 HydrophobicContact CD1-CB 4.14Å; F118-F295 AromaticContact CD1-CD1 3.72Å; F118-F295 HydrophobicContact CD1-CD1 3.72Å; F118-F295 HydrophobicContact CD1-CG 4.31Å; F118-F295 HydrophobicContact CE1-CB 4Å; F118-F295 AromaticContact CE1-CD1 3.38Å; F118-F295 HydrophobicContact CE1-CD1 3.38Å; F118-F295 HydrophobicContact CE1-CE1 4.07Å; F118-F295 AromaticContact CE1-CG 3.88Å; F118-F295 HydrophobicContact CE1-CG 3.88Å; F118-F295 HydrophobicContact CZ-CB 4.43Å; F118-F295 HydrophobicContact CZ-CD1 4.37Å
119Y98.4Very high95.1Very high37 Ų3736.9 Ų36.915%0.14519%0.189CC..EExtended strand (participates in β ladder)trans-115.9116.9159.6-175.7-104.8000108.7R121 E153 F295 H296 L297 Y298Y119-R121 HydrophobicContact CD1-CB 4.39Å; Y119-R121 HydrophobicContact CE1-CB 3.67Å; Y119-R121 HydrophobicContact CE1-CG 4.44Å; Y119-E153 VanDerWaalsContact CE2-CD 3.45Å; Y119-E153 HydrophobicContact CE2-CG 4.48Å; Y119-E153 WeakPolarHBondContact CE2-OE2 3.48Å; Y119-E153 VanDerWaalsContact CZ-OE2 3.25Å; Y119-E153 PolarHBondContact OH-OE2 3.14Å; Y119-F295 PolarHBondContact N-O 3.25Å; Y119-H296 AromaticContact CD1-ND1 3.84Å; Y119-H296 CarbonylContact O-C 3.58Å; Y119-H296 VanDerWaalsContact O-CA 3.28Å; Y119-H296 WeakPolarHBondContact O-CA 3.22Å; Y119-L297 PolarHBondContact O-N 3.49Å; Y119-Y298 AromaticContact CD1-CE1 3.95Å; Y119-Y298 HydrophobicContact CD1-CE1 3.95Å; Y119-Y298 AromaticContact CD1-CZ 3.85Å; Y119-Y298 WeakPolarHBondContact CD1-OH 3.29Å; Y119-Y298 AromaticContact CE1-CE1 3.66Å; Y119-Y298 HydrophobicContact CE1-CE1 3.66Å; Y119-Y298 AromaticContact CE1-CZ 3.98Å
120L98.7Very high95.2Very high7 Ų738.7 Ų38.74%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-117.7106.1-172.4-55.4-176.2000109.2F118 L132 M136 V150 F152 E153 L297F118-L120 HydrophobicContact CB-CD2 4.02Å; F118-L120 HydrophobicContact CB-CG 4.1Å; F118-L120 HydrophobicContact CD1-CD2 3.97Å; F118-L120 HydrophobicContact CG-CD2 4.43Å; L120-L132 HydrophobicContact CB-CD2 4.27Å; L120-M136 HydrophobicContact CD1-CE 4.09Å; L120-M136 HydrophobicContact CD1-CG 4.19Å; L120-M136 HydrophobicContact CD1-SD 3.91Å; L120-M136 HydrophobicContact CD2-SD 3.86Å; L120-V150 HydrophobicContact CD1-CG1 3.54Å; L120-F152 HydrophobicContact CB-CD1 3.94Å; L120-F152 HydrophobicContact CB-CE1 4.42Å; L120-F152 HydrophobicContact CD1-CD1 3.78Å; L120-F152 HydrophobicContact CD1-CE1 3.58Å; L120-E153 PolarHBondContact O-N 2.8Å; L120-L297 HydrophobicContact CD2-CB 3.82Å; L120-L297 HydrophobicContact CD2-CD1 3.76Å; L120-L297 HydrophobicContact CD2-CG 4Å
121R98.6Very high95.6Very high13 Ų1336.6 Ų36.65%0.04918%0.184CC..EExtended strand (participates in β ladder)trans-120.3142.4-178.5-174.3179.9171.1148.63111.6I55 Y119 E153 E155 E160 L162 L297 Y298 A299I55-R121 HydrophobicContact CD1-CG 4.33Å; Y119-R121 HydrophobicContact CD1-CB 4.39Å; Y119-R121 HydrophobicContact CE1-CB 3.67Å; Y119-R121 HydrophobicContact CE1-CG 4.44Å; R121-E153 CarbonylContact C-O 3.55Å; R121-E153 VanDerWaalsContact CA-O 3.26Å; R121-E153 WeakPolarHBondContact CA-O 3.15Å; R121-E155 IonicContact CZ-OE2 3.52Å; R121-E155 IonicContact NH2-OE2 3.88Å; R121-E155 PolarHBondContact NH2-OE2 2.74Å; R121-E160 IonicContact CZ-OE1 3.49Å; R121-E160 IonicContact NE-OE1 2.76Å; R121-E160 IonicContact NH2-OE1 3.24Å; R121-E160 PolarHBondContact NH2-OE1 3.41Å; R121-E160 IonicContact NH2-OE2 3.11Å; R121-L162 HydrophobicContact CG-CD1 3.85Å; R121-L297 PolarHBondContact N-O 2.71Å; R121-Y298 HydrophobicContact CB-CD1 3.73Å; R121-Y298 HydrophobicContact CB-CE1 3.96Å; R121-Y298 HydrophobicContact CG-CD1 4.22Å; R121-Y298 HydrophobicContact CG-CE1 4.47Å; R121-Y298 CarbonylContact O-C 3.58Å; R121-Y298 VanDerWaalsContact O-CA 3.31Å; R121-Y298 WeakPolarHBondContact O-CA 3.31Å; R121-A299 PolarHBondContact O-N 2.99Å
122T98.8Very high96.1Very high0 Ų028.8 Ų28.80%015%0.153CC..EExtended strand (participates in β ladder)trans-138.3148.4175.1178.50000109.7L52 T128 I129 L132 F152 E153 C154L52-T122 HydrophobicContact CD2-CG2 4.18Å; T122-T128 VanDerWaalsContact OG1-CB 3.31Å; T122-T128 WeakPolarHBondContact OG1-CB 3.42Å; T122-T128 PolarHBondContact OG1-OG1 2.96Å; T122-I129 HydrophobicContact CG2-CB 4.48Å; T122-I129 HydrophobicContact CG2-CG1 3.65Å; T122-I129 PolarHBondContact OG1-N 2.73Å; T122-I129 VanDerWaalsContact OG1-N 3.16Å; T122-L132 HydrophobicContact CG2-CD2 4.27Å; T122-F152 HydrophobicContact CG2-CB 4.48Å; T122-E153 PolarHBondContact N-O 2.86Å; T122-C154 HydrophobicContact CG2-CB 4.26Å; T122-C154 WeakPolarHBondContact O-CA 3.45Å; T122-C154 WeakPolarHBondContact O-CB 3.38Å
123T98.3Very high96.5Very high0 Ų026.5 Ų26.50%014%0.138CC..  trans-60.8152.1161.962.10000109.6I125 T128 E160 L162 F163 A299 H301T123-I125 PolarHBondContact O-N 3.13Å; T123-T128 PolarHBondContact O-OG1 2.9Å; T123-T128 VanDerWaalsContact O-OG1 3.05Å; T123-T128 WeakPolarHBondContact OG1-CB 3.34Å; T123-T128 WeakPolarHBondContact OG1-CG2 3.32Å; T123-T128 PolarHBondContact OG1-OG1 3.42Å; T123-E160 HydrophobicContact CG2-CG 3.92Å; T123-L162 HydrophobicContact CG2-CB 3.71Å; T123-L162 HydrophobicContact CG2-CD1 4.17Å; T123-F163 HydrophobicContact CG2-CD1 3.92Å; T123-F163 HydrophobicContact CG2-CE1 4.28Å; T123-A299 PolarHBondContact N-O 3.29Å; T123-H301 PolarHBondContact OG1-NE2 3.25Å
124F96.6Very high96.9Very high47 Ų4725.9 Ų25.921%0.20614%0.135CC..SBendtrans-78.257.7179.1-164.4-122.7000112.1L52 V61 Q62 L63 I129 C154 E155 L157L52-F124 HydrophobicContact CD1-CE2 4.12Å; V61-F124 HydrophobicContact CB-CE2 4.44Å; V61-F124 HydrophobicContact CB-CZ 4.5Å; V61-F124 HydrophobicContact CG2-CE2 3.83Å; V61-F124 HydrophobicContact CG2-CZ 4.33Å; Q62-F124 WeakPolarHBondContact O-CZ 3.41Å; L63-F124 HydrophobicContact CD2-CD1 4.17Å; L63-F124 HydrophobicContact CD2-CD2 4.21Å; L63-F124 HydrophobicContact CD2-CE1 4Å; L63-F124 HydrophobicContact CD2-CE2 4.04Å; L63-F124 HydrophobicContact CD2-CG 4.28Å; L63-F124 HydrophobicContact CD2-CZ 3.95Å; L63-F124 HydrophobicContact CG-CE2 4.45Å; L63-F124 HydrophobicContact CG-CZ 4.49Å; F124-I129 HydrophobicContact CD2-CD1 4.3Å; F124-C154 HydrophobicContact CB-CB 4.3Å; F124-C154 HydrophobicContact CD2-CB 4.2Å; F124-C154 VanDerWaalsContact CD2-SG 3.54Å; F124-E155 WeakPolarHBondContact CB-O 3.34Å; F124-L157 HydrophobicContact CB-CD2 4.17Å
125I96.2Very high97.3Very high17 Ų1721.9 Ų21.99%0.08712%0.116CC..SBendtrans-131.6133.7-178.4-61.4-177.1000109T123 R127 T128 I129 L157T123-I125 PolarHBondContact O-N 3.13Å; I125-R127 VanDerWaalsContact C-N 3.31Å; I125-R127 HydrophobicContact CG2-CG 3.82Å; I125-R127 PolarHBondContact O-N 2.95Å; I125-R127 VanDerWaalsContact O-N 3.13Å; I125-T128 PolarHBondContact O-N 2.86Å; I125-T128 VanDerWaalsContact O-N 3.08Å; I125-T128 PolarHBondContact O-OG1 2.85Å; I125-I129 WeakPolarHBondContact O-CG1 3.34Å; I125-I129 PolarHBondContact O-N 2.82Å; I125-I129 VanDerWaalsContact O-N 3.1Å; I125-L157 HydrophobicContact CD1-CD2 4.11Å; I125-L157 HydrophobicContact CG1-CD1 4.28Å; I125-L157 HydrophobicContact CG1-CD2 3.77Å
126A96.7Very high97.6Very high11 Ų1118 Ų189%0.0919%0.091CC..Hα-helixtrans-49.4-46.1-173.400000114.3L63 K130L63-A126 HydrophobicContact CD1-CB 3.69Å; A126-K130 WeakPolarHBondContact O-CB 3.31Å; A126-K130 WeakPolarHBondContact O-CG 3.4Å; A126-K130 PolarHBondContact O-N 3.46Å
127R97.7Very high97.8Very high29 Ų2914.1 Ų14.111%0.1096%0.064CC..Hα-helixtrans-68.4-33-178.559.7178.4176.3-77.4-3114.4H16 G81 L83 I125 S131H16-R127 HydrophobicContact CB-CB 4.46Å; H16-R127 HydrophobicContact CB-CG 4.37Å; H16-R127 PolarHBondContact CD2-NE 2.93Å; H16-R127 WeakPolarHBondContact NE2-CD 3.42Å; H16-R127 PolarHBondContact NE2-NE 3.42Å; H16-R127 VanDerWaalsContact NE2-NE 3.14Å; G81-R127 WeakPolarHBondContact O-CD 3.27Å; L83-R127 HydrophobicContact CB-CB 4.14Å; L83-R127 HydrophobicContact CD1-CB 4.37Å; I125-R127 VanDerWaalsContact C-N 3.31Å; I125-R127 HydrophobicContact CG2-CG 3.82Å; I125-R127 PolarHBondContact O-N 2.95Å; I125-R127 VanDerWaalsContact O-N 3.13Å; R127-S131 VanDerWaalsContact O-CB 3.29Å; R127-S131 WeakPolarHBondContact O-CB 3.48Å; R127-S131 PolarHBondContact O-N 3.22Å; R127-S131 PolarHBondContact O-OG 2.82Å
128T98.7Very high97.9Very high0 Ų011.4 Ų11.40%05%0.051CC..Hα-helixtrans-76-42.1177.446.80000110.4H16 T122 T123 I125 K130 S131 L132 A299 C300 H301H16-T128 HydrophobicContact CB-CG2 4.08Å; T122-T128 VanDerWaalsContact OG1-CB 3.31Å; T122-T128 WeakPolarHBondContact OG1-CB 3.42Å; T122-T128 PolarHBondContact OG1-OG1 2.96Å; T123-T128 PolarHBondContact O-OG1 2.9Å; T123-T128 VanDerWaalsContact O-OG1 3.05Å; T123-T128 WeakPolarHBondContact OG1-CB 3.34Å; T123-T128 WeakPolarHBondContact OG1-CG2 3.32Å; T123-T128 PolarHBondContact OG1-OG1 3.42Å; I125-T128 PolarHBondContact O-N 2.86Å; I125-T128 VanDerWaalsContact O-N 3.08Å; I125-T128 PolarHBondContact O-OG1 2.85Å; T128-K130 PolarHBondContact O-N 3.49Å; T128-S131 PolarHBondContact O-N 2.93Å; T128-S131 VanDerWaalsContact O-N 3.16Å; T128-L132 PolarHBondContact O-N 3.27Å; T128-A299 WeakPolarHBondContact O-CB 3.43Å; T128-C300 WeakPolarHBondContact CG2-O 3.5Å; T128-H301 VanDerWaalsContact CG2-CE1 3.45Å; T128-H301 WeakPolarHBondContact CG2-CE1 3.33Å
129I98.6Very high97.9Very high3 Ų310.7 Ų10.72%0.0155%0.048CC..Hα-helixtrans-57-52.3173.2-66.3159.8000110.8Y50 L52 L63 T122 F124 I125 S131 L132 R133Y50-I129 HydrophobicContact CE2-CG2 3.53Å; Y50-I129 WeakPolarHBondContact OH-CG2 3.31Å; L52-I129 HydrophobicContact CD1-CD1 3.75Å; L52-I129 HydrophobicContact CD1-CG1 4.39Å; L52-I129 HydrophobicContact CD1-CG2 4.31Å; L52-I129 HydrophobicContact CD2-CD1 4.17Å; L52-I129 HydrophobicContact CD2-CG1 3.94Å; L52-I129 HydrophobicContact CD2-CG2 3.92Å; L63-I129 HydrophobicContact CD1-CD1 3.92Å; L63-I129 HydrophobicContact CD2-CD1 4.16Å; L63-I129 HydrophobicContact CG-CD1 4.08Å; T122-I129 HydrophobicContact CG2-CB 4.48Å; T122-I129 HydrophobicContact CG2-CG1 3.65Å; T122-I129 PolarHBondContact OG1-N 2.73Å; T122-I129 VanDerWaalsContact OG1-N 3.16Å; F124-I129 HydrophobicContact CD2-CD1 4.3Å; I125-I129 WeakPolarHBondContact O-CG1 3.34Å; I125-I129 PolarHBondContact O-N 2.82Å; I125-I129 VanDerWaalsContact O-N 3.1Å; I129-S131 VanDerWaalsContact C-N 3.31Å; I129-S131 PolarHBondContact O-N 3.41Å; I129-L132 PolarHBondContact O-N 3.01Å; I129-R133 PolarHBondContact O-N 3.23Å
130K98.3Very high97.7Very high42 Ų429 Ų918%0.1834%0.042CC..Hα-helixtrans-62-37.9177.2-76.1-176.2177.5177.90111.9E82 L83 A126 T128 R133 C134E82-K130 IonicContact OE2-NZ 3.57Å; L83-K130 HydrophobicContact CB-CB 4.47Å; L83-K130 HydrophobicContact CB-CD 4.33Å; L83-K130 HydrophobicContact CD2-CB 3.58Å; A126-K130 WeakPolarHBondContact O-CB 3.31Å; A126-K130 WeakPolarHBondContact O-CG 3.4Å; A126-K130 PolarHBondContact O-N 3.46Å; T128-K130 PolarHBondContact O-N 3.49Å; K130-R133 WeakPolarHBondContact O-CB 3.39Å; K130-R133 PolarHBondContact O-N 2.67Å; K130-C134 PolarHBondContact O-N 3.22Å; K130-C134 PolarHBondContact O-SG 2.53Å
131S98.9Very high97.1Very high0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-64.9-43.1177.6-62.50000111.6H16 G17 L83 R127 T128 I129 R133 C134 V135H16-S131 WeakPolarHBondContact CA-OG 3.34Å; H16-S131 VanDerWaalsContact CB-OG 3.31Å; H16-S131 WeakPolarHBondContact CB-OG 3.48Å; G17-S131 PolarHBondContact N-OG 3.36Å; G17-S131 VanDerWaalsContact N-OG 3.11Å; L83-S131 WeakPolarHBondContact CD1-OG 3.27Å; R127-S131 VanDerWaalsContact O-CB 3.29Å; R127-S131 WeakPolarHBondContact O-CB 3.48Å; R127-S131 PolarHBondContact O-N 3.22Å; R127-S131 PolarHBondContact O-OG 2.82Å; T128-S131 PolarHBondContact O-N 2.93Å; T128-S131 VanDerWaalsContact O-N 3.16Å; I129-S131 VanDerWaalsContact C-N 3.31Å; I129-S131 PolarHBondContact O-N 3.41Å; S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 2.79Å; S131-C134 WeakPolarHBondContact O-CB 3.38Å; S131-C134 PolarHBondContact O-N 2.64Å; S131-C134 VanDerWaalsContact O-N 3.13Å; S131-V135 WeakPolarHBondContact O-CG2 3.43Å; S131-V135 PolarHBondContact O-N 3.44Å
132L98.9Very high96.1Very high0 Ų015.1 Ų15.10%08%0.082CC..Hα-helixtrans-60.7-42175.2-176.256000111.9F14 L120 T122 T128 I129 C134 V135 M136 F152 L297 A299F14-L132 HydrophobicContact CE1-CD1 4.1Å; F14-L132 HydrophobicContact CZ-CB 4.16Å; F14-L132 HydrophobicContact CZ-CD1 3.81Å; L120-L132 HydrophobicContact CB-CD2 4.27Å; T122-L132 HydrophobicContact CG2-CD2 4.27Å; T128-L132 PolarHBondContact O-N 3.27Å; I129-L132 PolarHBondContact O-N 3.01Å; L132-C134 VanDerWaalsContact C-N 3.32Å; L132-C134 PolarHBondContact O-N 3.37Å; L132-V135 PolarHBondContact O-N 2.84Å; L132-M136 WeakPolarHBondContact O-CG 3.16Å; L132-M136 PolarHBondContact O-N 3.14Å; L132-F152 HydrophobicContact CB-CD2 4.27Å; L132-F152 HydrophobicContact CB-CE2 3.99Å; L132-F152 HydrophobicContact CD2-CB 4.2Å; L132-F152 HydrophobicContact CD2-CD1 4.01Å; L132-F152 HydrophobicContact CD2-CD2 3.69Å; L132-F152 HydrophobicContact CD2-CE1 4.34Å; L132-F152 HydrophobicContact CD2-CE2 4.03Å; L132-F152 HydrophobicContact CD2-CG 3.69Å; L132-F152 HydrophobicContact CD2-CZ 4.35Å; L132-F152 HydrophobicContact CG-CD1 4.35Å; L132-F152 HydrophobicContact CG-CD2 3.92Å; L132-F152 HydrophobicContact CG-CE1 4.19Å; L132-F152 HydrophobicContact CG-CE2 3.71Å; L132-F152 HydrophobicContact CG-CG 4.25Å; L132-F152 HydrophobicContact CG-CZ 3.86Å; L132-L297 HydrophobicContact CD1-CB 3.82Å; L132-L297 HydrophobicContact CD1-CD1 4.04Å; L132-A299 HydrophobicContact CB-CB 3.98Å
133R98.1Very high94.5Very high14 Ų1416.6 Ų16.65%0.0539%0.09CC..Hα-helixtrans-54.9-47.8172.2-176.6-168.170.9-169.1-3.8111.4D42 T46 F48 Y50 I129 K130 S131 M136 A137 F152D42-R133 IonicContact OD1-CZ 2.7Å; D42-R133 IonicContact OD1-NH1 3.53Å; D42-R133 PolarHBondContact OD1-NH1 2.91Å; D42-R133 IonicContact OD1-NH2 3.4Å; D42-R133 PolarHBondContact OD1-NH2 2.98Å; D42-R133 IonicContact OD2-CZ 3.7Å; D42-R133 IonicContact OD2-NH1 3.72Å; D42-R133 PolarHBondContact OD2-NH1 3.28Å; D42-R133 IonicContact OD2-NH2 2.84Å; D42-R133 PolarHBondContact OD2-NH2 2.98Å; T46-R133 PolarHBondContact O-NE 2.8Å; F48-R133 HydrophobicContact CB-CG 3.94Å; F48-R133 WeakPolarHBondContact O-CG 3.26Å; Y50-R133 HydrophobicContact CD1-CB 4.33Å; Y50-R133 HydrophobicContact CD1-CG 4.04Å; Y50-R133 HydrophobicContact CE1-CB 4.29Å; Y50-R133 HydrophobicContact CE1-CG 4.1Å; I129-R133 PolarHBondContact O-N 3.23Å; K130-R133 WeakPolarHBondContact O-CB 3.39Å; K130-R133 PolarHBondContact O-N 2.67Å; S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 2.79Å; R133-M136 PolarHBondContact O-N 2.86Å; R133-A137 PolarHBondContact O-N 2.94Å; R133-F152 HydrophobicContact CB-CE2 4.05Å
134C98.7Very high92.7Very high0 Ų020.2 Ų20.20%011%0.108CC..Hα-helixtrans-65.5-40.6-179.8-60.70000112.2A91 F92 K130 S131 L132 M136 A137 G138A91-C134 HydrophobicContact CB-CB 3.62Å; F92-C134 WeakPolarHBondContact CA-O 3.44Å; K130-C134 PolarHBondContact O-N 3.22Å; K130-C134 PolarHBondContact O-SG 2.53Å; S131-C134 WeakPolarHBondContact O-CB 3.38Å; S131-C134 PolarHBondContact O-N 2.64Å; S131-C134 VanDerWaalsContact O-N 3.13Å; L132-C134 VanDerWaalsContact C-N 3.32Å; L132-C134 PolarHBondContact O-N 3.37Å; C134-M136 VanDerWaalsContact C-N 3.33Å; C134-M136 PolarHBondContact O-N 3.47Å; C134-A137 WeakPolarHBondContact O-CB 3.37Å; C134-A137 PolarHBondContact O-N 3.1Å; C134-G138 PolarHBondContact O-N 3.48Å
135V98.8Very high91Very high0 Ų022.8 Ų22.80%013%0.132CC..Hα-helixtrans-59.5-45.1173.9172.70000110.5F14 A91 L94 G95 L98 S131 L132 A137 G138 L139 L297F14-V135 HydrophobicContact CD2-CG2 4.2Å; F14-V135 HydrophobicContact CE1-CG2 4.49Å; F14-V135 HydrophobicContact CE2-CG2 3.7Å; F14-V135 HydrophobicContact CZ-CB 4.42Å; F14-V135 HydrophobicContact CZ-CG2 3.85Å; A91-V135 HydrophobicContact CB-CG2 4.16Å; A91-V135 WeakPolarHBondContact O-CA 3.28Å; A91-V135 VanDerWaalsContact O-CG2 3.27Å; A91-V135 WeakPolarHBondContact O-CG2 3.4Å; L94-V135 HydrophobicContact CB-CG2 4.39Å; L94-V135 HydrophobicContact CD2-CG2 3.92Å; L94-V135 HydrophobicContact CG-CG2 4.22Å; G95-V135 VanDerWaalsContact CA-O 3.3Å; G95-V135 WeakPolarHBondContact CA-O 3.31Å; L98-V135 HydrophobicContact CD1-CG1 4.02Å; S131-V135 WeakPolarHBondContact O-CG2 3.43Å; S131-V135 PolarHBondContact O-N 3.44Å; L132-V135 PolarHBondContact O-N 2.84Å; V135-A137 PolarHBondContact O-N 2.98Å; V135-G138 PolarHBondContact O-N 2.76Å; V135-L139 WeakPolarHBondContact O-CB 3.39Å; V135-L139 PolarHBondContact O-N 2.87Å; V135-L297 HydrophobicContact CG1-CD1 3.84Å; V135-L297 HydrophobicContact CG1-CD2 4.48Å
136M97.4Very high89.6Confident0 Ų023.9 Ų23.90%014%0.138CC..Hα-helixtrans-64.9-38.3177.8-71.7-53.7-60.100112.7F48 F113 L120 L132 R133 C134 L139 Y140 F152 L297F48-M136 HydrophobicContact CB-CB 4.33Å; F48-M136 HydrophobicContact CD1-CB 3.59Å; F48-M136 HydrophobicContact CD1-CG 4.37Å; F48-M136 HydrophobicContact CD2-CB 4.09Å; F48-M136 HydrophobicContact CE1-CB 3.75Å; F48-M136 HydrophobicContact CE1-CE 4.05Å; F48-M136 HydrophobicContact CE1-CG 4.27Å; F48-M136 HydrophobicContact CE2-CB 4.24Å; F48-M136 HydrophobicContact CG-CB 3.75Å; F48-M136 HydrophobicContact CZ-CB 4.06Å; F48-M136 HydrophobicContact CZ-CE 3.83Å; F113-M136 HydrophobicContact CD2-CE 4.07Å; F113-M136 HydrophobicContact CE2-CE 3.5Å; F113-M136 HydrophobicContact CZ-CE 4.05Å; L120-M136 HydrophobicContact CD1-CE 4.09Å; L120-M136 HydrophobicContact CD1-CG 4.19Å; L120-M136 HydrophobicContact CD1-SD 3.91Å; L120-M136 HydrophobicContact CD2-SD 3.86Å; L132-M136 WeakPolarHBondContact O-CG 3.16Å; L132-M136 PolarHBondContact O-N 3.14Å; R133-M136 PolarHBondContact O-N 2.86Å; C134-M136 VanDerWaalsContact C-N 3.33Å; C134-M136 PolarHBondContact O-N 3.47Å; M136-L139 PolarHBondContact O-N 2.92Å; M136-L139 HydrophobicContact SD-CD2 4.46Å; M136-Y140 HydrophobicContact CE-CD2 4.21Å; M136-Y140 PolarHBondContact O-N 2.85Å; M136-F152 HydrophobicContact CB-CZ 4.37Å; M136-F152 HydrophobicContact CG-CE1 3.95Å; M136-F152 HydrophobicContact CG-CZ 3.86Å; M136-L297 HydrophobicContact SD-CD1 3.65Å
137A96.4Very high88.2Confident3 Ų329.8 Ų29.83%0.02517%0.173CC..Hα-helixtrans-60.8-43.2171.900000111.9F48 F92 R133 C134 V135 L139 G141F48-A137 HydrophobicContact CB-CB 4.18Å; F92-A137 HydrophobicContact CD2-CB 4.01Å; F92-A137 HydrophobicContact CE2-CB 4.18Å; R133-A137 PolarHBondContact O-N 2.94Å; C134-A137 WeakPolarHBondContact O-CB 3.37Å; C134-A137 PolarHBondContact O-N 3.1Å; V135-A137 PolarHBondContact O-N 2.98Å; A137-L139 VanDerWaalsContact C-N 3.34Å; A137-L139 PolarHBondContact O-N 3.44Å; A137-G141 WeakPolarHBondContact O-CA 3.26Å; A137-G141 PolarHBondContact O-N 3.2Å
138G97Very high87.4Confident1 Ų134.9 Ų34.91%0.0120%0.198CC..Hα-helixtrans-67.3-32.9175.100000113.5F92 I96 C134 V135F92-G138 VanDerWaalsContact CE2-CA 3.44Å; I96-G138 VanDerWaalsContact CD1-O 3.28Å; I96-G138 WeakPolarHBondContact CD1-O 3.39Å; C134-G138 PolarHBondContact O-N 3.48Å; V135-G138 PolarHBondContact O-N 2.76Å
139L96Very high86.9Confident0 Ų037.8 Ų37.80%022%0.217CC..Hα-helixtrans-79.9-40.1-176.3-172.358.1000113L98 K99 L109 F118 V135 M136 A137 F295L98-L139 HydrophobicContact CB-CD1 3.99Å; K99-L139 VanDerWaalsContact CA-CD1 3.45Å; K99-L139 HydrophobicContact CB-CD1 3.83Å; K99-L139 VanDerWaalsContact N-CD1 3.28Å; L109-L139 HydrophobicContact CD1-CD1 4.39Å; L109-L139 HydrophobicContact CD1-CD2 4.43Å; F118-L139 HydrophobicContact CE1-CD2 3.85Å; F118-L139 HydrophobicContact CZ-CD2 4.36Å; V135-L139 WeakPolarHBondContact O-CB 3.39Å; V135-L139 PolarHBondContact O-N 2.87Å; M136-L139 PolarHBondContact O-N 2.92Å; M136-L139 HydrophobicContact SD-CD2 4.46Å; A137-L139 VanDerWaalsContact C-N 3.34Å; A137-L139 PolarHBondContact O-N 3.44Å; L139-F295 HydrophobicContact CD2-CE1 4.25Å
140Y93.9Very high86.7Confident3 Ų338.2 Ų38.21%0.01222%0.22CC..Hα-helixtrans-135.77.4-173.6-78.3-78000115.8K103 P110 F113 F118 M136 D142 N143K103-Y140 HydrophobicContact CD-CE1 4.39Å; P110-Y140 PolarHBondContact O-OH 3.35Å; P110-Y140 VanDerWaalsContact O-OH 3.08Å; F113-Y140 HydrophobicContact CB-CD1 3.69Å; F113-Y140 HydrophobicContact CB-CD2 4.36Å; F113-Y140 HydrophobicContact CB-CE1 3.96Å; F113-Y140 HydrophobicContact CB-CG 3.9Å; F113-Y140 HydrophobicContact CD2-CD1 4.43Å; F113-Y140 AromaticContact CD2-CD2 3.6Å; F113-Y140 HydrophobicContact CD2-CD2 3.6Å; F113-Y140 HydrophobicContact CD2-CE1 4.48Å; F113-Y140 AromaticContact CD2-CE2 3.69Å; F113-Y140 HydrophobicContact CD2-CE2 3.69Å; F113-Y140 HydrophobicContact CD2-CG 4Å; F113-Y140 HydrophobicContact CE2-CD2 4.4Å; F113-Y140 HydrophobicContact CE2-CE2 4.46Å; F113-Y140 HydrophobicContact CG-CD2 4.39Å; F113-Y140 HydrophobicContact CG-CG 4.35Å; F118-Y140 HydrophobicContact CE1-CE2 4.13Å; F118-Y140 AromaticContact CE2-CE2 3.92Å; F118-Y140 HydrophobicContact CE2-CE2 3.92Å; F118-Y140 HydrophobicContact CZ-CD2 4.47Å; F118-Y140 AromaticContact CZ-CE2 3.41Å; F118-Y140 HydrophobicContact CZ-CE2 3.41Å; F118-Y140 VanDerWaalsContact CZ-CE2 3.41Å; F118-Y140 AromaticContact CZ-CZ 3.95Å; M136-Y140 HydrophobicContact CE-CD2 4.21Å; M136-Y140 PolarHBondContact O-N 2.85Å; Y140-D142 VanDerWaalsContact C-N 3.27Å; Y140-D142 PolarHBondContact O-N 2.93Å; Y140-D142 VanDerWaalsContact O-N 3.17Å; Y140-N143 CarbonylContact O-C 3.53Å; Y140-N143 PolarHBondContact O-N 3.31Å
141G86.8Confident86.5Confident28 Ų2840.5 Ų40.529%0.28923%0.234SC..G310 helixtrans-57.7-31.9-174.900000115.3A137 N143 I144A137-G141 WeakPolarHBondContact O-CA 3.26Å; A137-G141 PolarHBondContact O-N 3.2Å; G141-N143 VanDerWaalsContact C-N 3.33Å; G141-I144 WeakPolarHBondContact O-CD1 3.36Å; G141-I144 WeakPolarHBondContact O-CG1 3.22Å
142D77.4Confident86.5Confident120 Ų12040.5 Ų40.564%0.64223%0.234SC*.G310 helixtrans-78.1-16.8178.8-50.2-43.1000113.4K99 Y140K99-D142 IonicContact NZ-OD2 3.26Å; K99-D142 PolarHBondContact NZ-OD2 3.27Å; Y140-D142 VanDerWaalsContact C-N 3.27Å; Y140-D142 PolarHBondContact O-N 2.93Å; Y140-D142 VanDerWaalsContact O-N 3.17Å
143N64.8Low86.5Confident31 Ų3142.3 Ų42.317%0.16624%0.242CC..G310 helixtrans-125.542.7-171.1-67.5-15000111.5K103 Y111 Y140 G141 S145K103-N143 PolarHBondContact NZ-ND2 3.03Å; K103-N143 VanDerWaalsContact NZ-ND2 3.2Å; Y111-N143 WeakPolarHBondContact CD1-ND2 3.49Å; Y111-N143 WeakPolarHBondContact CE1-ND2 3.45Å; Y111-N143 PolarHBondContact O-ND2 3.41Å; Y111-N143 VanDerWaalsContact O-ND2 3.09Å; Y111-N143 PolarHBondContact OH-OD1 2.85Å; Y140-N143 CarbonylContact O-C 3.53Å; Y140-N143 PolarHBondContact O-N 3.31Å; G141-N143 VanDerWaalsContact C-N 3.33Å; N143-S145 VanDerWaalsContact C-N 3.31Å; N143-S145 PolarHBondContact O-N 2.85Å
144I60.7Low86.5Confident76 Ų7641.7 Ų41.739%0.3924%0.24SC..  trans-76.185.2177.2-60.4172.4000108.5F48 G141 L146F48-I144 HydrophobicContact CD2-CD1 4.34Å; F48-I144 HydrophobicContact CE2-CG1 4.36Å; G141-I144 WeakPolarHBondContact O-CD1 3.36Å; G141-I144 WeakPolarHBondContact O-CG1 3.22Å; I144-L146 HydrophobicContact CG2-CB 3.64Å; I144-L146 HydrophobicContact CG2-CD1 3.91Å; I144-L146 HydrophobicContact CG2-CG 3.78Å; I144-L146 PolarHBondContact O-N 2.89Å
145S61.4Low86.3Confident101 Ų10143.5 Ų43.571%0.70625%0.249SC*.  trans-90.241.9154.9-61.60000109.9N143 T147N143-S145 VanDerWaalsContact C-N 3.31Å; N143-S145 PolarHBondContact O-N 2.85Å; S145-T147 PolarHBondContact O-N 3.34Å
146L65.3Low86.1Confident40 Ų4049 Ų4921%0.20927%0.273CS..  trans-81.2115177.1-67.2176.5000108.8F48 P49 F113 I144 E148 V150F48-L146 HydrophobicContact CE1-CD1 3.97Å; F48-L146 HydrophobicContact CE2-CD1 3.92Å; F48-L146 HydrophobicContact CZ-CD1 3.54Å; P49-L146 HydrophobicContact CG-CD1 3.6Å; F113-L146 HydrophobicContact CD1-CD2 3.5Å; F113-L146 HydrophobicContact CE1-CD2 3.96Å; I144-L146 HydrophobicContact CG2-CB 3.64Å; I144-L146 HydrophobicContact CG2-CD1 3.91Å; I144-L146 HydrophobicContact CG2-CG 3.78Å; I144-L146 PolarHBondContact O-N 2.89Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-V150 HydrophobicContact CD1-CG2 3.8Å; L146-V150 HydrophobicContact CD2-CG2 3.81Å
147T68.6Low86Confident134 Ų13451.7 Ų51.782%0.82229%0.286SS*.SBendtrans-74.8-27.7166.352.80000111.2S145S145-T147 PolarHBondContact O-N 3.34Å
148E80.2Confident85.8Confident136 Ų13655.3 Ų55.364%0.63631%0.306SS*.SBendtrans-137.7155.2-172.7-64.2-60.8155.600111.5L146L146-E148 VanDerWaalsContact C-N 3.3Å
149P89.6Confident85.8Confident61 Ų6158.1 Ų58.140%0.39632%0.323SS..PPolyproline II helixtrans-57.4147.8171.4-22.133.3000112.8P49P49-P149 HydrophobicContact CB-CB 4.42Å
150V92.4Very high85.8Confident12 Ų1258.1 Ų58.17%0.07332%0.323CS..EExtended strand (participates in β ladder)trans-86.8137.7177.4-174.10000110.9F48 P49 Y50 C51 F113 L120 L146 F152F48-V150 HydrophobicContact CE1-CB 4Å; F48-V150 HydrophobicContact CE1-CG2 3.53Å; F48-V150 HydrophobicContact CZ-CG2 3.98Å; P49-V150 PolarHBondContact O-N 2.87Å; Y50-V150 CarbonylContact C-O 3.57Å; Y50-V150 WeakPolarHBondContact CA-O 3.44Å; Y50-V150 WeakPolarHBondContact CB-O 3.33Å; C51-V150 PolarHBondContact N-O 3.07Å; F113-V150 HydrophobicContact CD1-CG2 4.34Å; F113-V150 HydrophobicContact CE1-CB 4.44Å; F113-V150 HydrophobicContact CE1-CG1 4Å; F113-V150 HydrophobicContact CE1-CG2 3.5Å; F113-V150 HydrophobicContact CZ-CG1 3.77Å; F113-V150 HydrophobicContact CZ-CG2 4Å; L120-V150 HydrophobicContact CD1-CG1 3.54Å; L146-V150 HydrophobicContact CD1-CG2 3.8Å; L146-V150 HydrophobicContact CD2-CG2 3.81Å; V150-F152 PolarHBondContact O-N 3.32Å
151N95.8Very high85.9Confident91 Ų9159.5 Ų59.549%0.48733%0.33SS..EExtended strand (participates in β ladder)trans-70.3120.8176.6-66.4-6000110.7C51 I53C51-N151 PolarHBondContact SG-OD1 3.08Å; I53-N151 HydrophobicContact CG1-CB 3.92Å
152F98.2Very high86.5Confident0 Ų058.2 Ų58.20%032%0.316CS..EExtended strand (participates in β ladder)trans-103.2117.6163.2-70.92.8000107.8F48 Y50 C51 L52 I53 L120 T122 L132 R133 M136 V150F48-F152 HydrophobicContact CD1-CZ 4.49Å; Y50-F152 HydrophobicContact CD1-CE2 4.12Å; Y50-F152 HydrophobicContact CD2-CB 4.31Å; Y50-F152 AromaticContact CD2-CD2 3.44Å; Y50-F152 HydrophobicContact CD2-CD2 3.44Å; Y50-F152 VanDerWaalsContact CD2-CD2 3.44Å; Y50-F152 AromaticContact CD2-CE2 3.87Å; Y50-F152 HydrophobicContact CD2-CE2 3.87Å; Y50-F152 AromaticContact CD2-CG 4Å; Y50-F152 HydrophobicContact CD2-CG 4Å; Y50-F152 HydrophobicContact CE2-CD2 4.12Å; Y50-F152 AromaticContact CG-CD2 3.68Å; Y50-F152 HydrophobicContact CG-CD2 3.68Å; Y50-F152 AromaticContact CG-CE2 3.62Å; Y50-F152 HydrophobicContact CG-CE2 3.62Å; Y50-F152 HydrophobicContact CG-CG 4.26Å; Y50-F152 HydrophobicContact CG-CZ 4.17Å; C51-F152 PolarHBondContact O-N 3.44Å; L52-F152 CarbonylContact C-O 3.57Å; L52-F152 VanDerWaalsContact CA-O 3.3Å; L52-F152 WeakPolarHBondContact CA-O 3.35Å; L52-F152 HydrophobicContact CD2-CB 3.94Å; I53-F152 PolarHBondContact N-O 3Å; L120-F152 HydrophobicContact CB-CD1 3.94Å; L120-F152 HydrophobicContact CB-CE1 4.42Å; L120-F152 HydrophobicContact CD1-CD1 3.78Å; L120-F152 HydrophobicContact CD1-CE1 3.58Å; T122-F152 HydrophobicContact CG2-CB 4.48Å; L132-F152 HydrophobicContact CB-CD2 4.27Å; L132-F152 HydrophobicContact CB-CE2 3.99Å; L132-F152 HydrophobicContact CD2-CB 4.2Å; L132-F152 HydrophobicContact CD2-CD1 4.01Å; L132-F152 HydrophobicContact CD2-CD2 3.69Å; L132-F152 HydrophobicContact CD2-CE1 4.34Å; L132-F152 HydrophobicContact CD2-CE2 4.03Å; L132-F152 HydrophobicContact CD2-CG 3.69Å; L132-F152 HydrophobicContact CD2-CZ 4.35Å; L132-F152 HydrophobicContact CG-CD1 4.35Å; L132-F152 HydrophobicContact CG-CD2 3.92Å; L132-F152 HydrophobicContact CG-CE1 4.19Å; L132-F152 HydrophobicContact CG-CE2 3.71Å; L132-F152 HydrophobicContact CG-CG 4.25Å; L132-F152 HydrophobicContact CG-CZ 3.86Å; R133-F152 HydrophobicContact CB-CE2 4.05Å; M136-F152 HydrophobicContact CB-CZ 4.37Å; M136-F152 HydrophobicContact CG-CE1 3.95Å; M136-F152 HydrophobicContact CG-CZ 3.86Å; V150-F152 PolarHBondContact O-N 3.32Å
153E98.6Very high87.4Confident37 Ų3754.2 Ų54.217%0.17329%0.293CS..EExtended strand (participates in β ladder)trans-84.5142.5180-70.9-170.3-164.300111.7I53 I55 Y119 L120 R121 T122I53-E153 WeakPolarHBondContact O-CA 3.48Å; I55-E153 HydrophobicContact CD1-CB 4.1Å; I55-E153 HydrophobicContact CG1-CB 3.76Å; I55-E153 HydrophobicContact CG1-CG 4.35Å; I55-E153 WeakPolarHBondContact CG1-OE2 3.45Å; Y119-E153 VanDerWaalsContact CE2-CD 3.45Å; Y119-E153 HydrophobicContact CE2-CG 4.48Å; Y119-E153 WeakPolarHBondContact CE2-OE2 3.48Å; Y119-E153 VanDerWaalsContact CZ-OE2 3.25Å; Y119-E153 PolarHBondContact OH-OE2 3.14Å; L120-E153 PolarHBondContact O-N 2.8Å; R121-E153 CarbonylContact C-O 3.55Å; R121-E153 VanDerWaalsContact CA-O 3.26Å; R121-E153 WeakPolarHBondContact CA-O 3.15Å; T122-E153 PolarHBondContact N-O 2.86Å
154C98.2Very high88.9Confident1 Ų152.9 Ų52.91%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-147.8164.6176.360.30000111.6I53 D54 I55 T122 F124I53-C154 PolarHBondContact O-N 2.9Å; D54-C154 WeakPolarHBondContact CA-O 2.86Å; I55-C154 WeakPolarHBondContact CG1-O 3.47Å; I55-C154 PolarHBondContact N-O 3.38Å; T122-C154 HydrophobicContact CG2-CB 4.26Å; T122-C154 WeakPolarHBondContact O-CA 3.45Å; T122-C154 WeakPolarHBondContact O-CB 3.38Å; F124-C154 HydrophobicContact CB-CB 4.3Å; F124-C154 HydrophobicContact CD2-CB 4.2Å; F124-C154 VanDerWaalsContact CD2-SG 3.54Å
155E95.6Very high90.6Very high38 Ų3849.5 Ų49.518%0.17827%0.269CS..  trans-127158.7177-173.1160.7-163.300110.7R121 F124 T159R121-E155 IonicContact CZ-OE2 3.52Å; R121-E155 IonicContact NH2-OE2 3.88Å; R121-E155 PolarHBondContact NH2-OE2 2.74Å; F124-E155 WeakPolarHBondContact CB-O 3.34Å; E155-T159 WeakPolarHBondContact CG-OG1 3.34Å; E155-T159 WeakPolarHBondContact OE1-CB 3.38Å; E155-T159 PolarHBondContact OE1-OG1 2.93Å
156K94.5Very high92.1Very high116 Ų11648.4 Ų48.450%0.50426%0.26SS..  trans-60.4141174-63.9-179.8-176.4173.70109.7N158 T159 E160K156-N158 VanDerWaalsContact CB-OD1 3.29Å; K156-N158 WeakPolarHBondContact CB-OD1 3.37Å; K156-N158 PolarHBondContact O-N 3.07Å; K156-T159 CarbonylContact O-C 3.52Å; K156-T159 PolarHBondContact O-N 3.11Å; K156-T159 PolarHBondContact O-OG1 3.42Å; K156-E160 PolarHBondContact O-N 3.28Å
157L93.6Very high93.4Very high56 Ų5653.3 Ų53.329%0.29328%0.281SS..THydrogen-bonded Turntrans-60.6-25-175.1-62.3179.2000114.1F124 I125 T159 F163 N165F124-L157 HydrophobicContact CB-CD2 4.17Å; I125-L157 HydrophobicContact CD1-CD2 4.11Å; I125-L157 HydrophobicContact CG1-CD1 4.28Å; I125-L157 HydrophobicContact CG1-CD2 3.77Å; L157-T159 VanDerWaalsContact C-N 3.34Å; L157-F163 HydrophobicContact CD2-CE1 4.29Å; L157-N165 PolarHBondContact O-ND2 2.91Å
158N94Very high94.5Very high80 Ų8050.2 Ų50.243%0.42826%0.259SS..THydrogen-bonded Turntrans-81.9-9.1177.367.1-26.1000114.1K156 H167K156-N158 VanDerWaalsContact CB-OD1 3.29Å; K156-N158 WeakPolarHBondContact CB-OD1 3.37Å; K156-N158 PolarHBondContact O-N 3.07Å; N158-H167 HydrophobicContact CB-CB 4.09Å; N158-H167 WeakPolarHBondContact O-CB 3.24Å
159T95.7Very high95.1Very high60 Ų6044.6 Ų44.637%0.36824%0.235SC..THydrogen-bonded Turntrans-122.26.2173.465.10000112.6E155 K156 L157 I168E155-T159 WeakPolarHBondContact CG-OG1 3.34Å; E155-T159 WeakPolarHBondContact OE1-CB 3.38Å; E155-T159 PolarHBondContact OE1-OG1 2.93Å; K156-T159 CarbonylContact O-C 3.52Å; K156-T159 PolarHBondContact O-N 3.11Å; K156-T159 PolarHBondContact O-OG1 3.42Å; L157-T159 VanDerWaalsContact C-N 3.34Å; T159-I168 WeakPolarHBondContact O-CD1 3.48Å
160E96.7Very high95.2Very high0 Ų050.1 Ų50.10%026%0.255CS..  trans-74.1134-179.1-179.959.2-93.100112.6R121 T123 K156 L162 F163 N165 I168R121-E160 IonicContact CZ-OE1 3.49Å; R121-E160 IonicContact NE-OE1 2.76Å; R121-E160 IonicContact NH2-OE1 3.24Å; R121-E160 PolarHBondContact NH2-OE1 3.41Å; R121-E160 IonicContact NH2-OE2 3.11Å; T123-E160 HydrophobicContact CG2-CG 3.92Å; K156-E160 PolarHBondContact O-N 3.28Å; E160-L162 HydrophobicContact CG-CB 4.27Å; E160-L162 WeakPolarHBondContact OE1-CB 3.43Å; E160-L162 VanDerWaalsContact OE1-CG 3.31Å; E160-L162 WeakPolarHBondContact OE1-CG 3.32Å; E160-L162 PolarHBondContact OE1-N 3.13Å; E160-F163 HydrophobicContact CB-CE1 3.76Å; E160-F163 HydrophobicContact CB-CZ 4.21Å; E160-F163 HydrophobicContact CG-CD1 3.8Å; E160-F163 HydrophobicContact CG-CE1 3.43Å; E160-F163 VanDerWaalsContact CG-CE1 3.43Å; E160-F163 HydrophobicContact CG-CZ 4.34Å; E160-N165 WeakPolarHBondContact O-CB 3.36Å; E160-N165 PolarHBondContact O-ND2 2.99Å; E160-I168 WeakPolarHBondContact O-CD1 3.23Å
161I96.9Very high95.2Very high32 Ų3252.1 Ų52.116%0.16427%0.265CS..  trans-105-9.3-177.364.5169.3000113.3F163 I168 D277 L281I161-F163 PolarHBondContact O-N 3.03Å; I161-F163 VanDerWaalsContact O-N 3.12Å; I161-I168 HydrophobicContact CG2-CD1 3.8Å; I161-D277 HydrophobicContact CB-CB 4.17Å; I161-D277 HydrophobicContact CD1-CB 4.29Å; I161-D277 HydrophobicContact CG2-CB 3.82Å; I161-L281 HydrophobicContact CD1-CB 4.39Å; I161-L281 HydrophobicContact CD1-CD2 4.21Å
162L98.2Very high95.1Very high1 Ų148.1 Ų48.11%0.00524%0.243CC..SBendtrans-73.36.4179.7-67.6-177.1000113.8F13 R121 T123 E160 L278 L281 Y298 C300 S304F13-L162 HydrophobicContact CD1-CD2 4.34Å; F13-L162 HydrophobicContact CE1-CD2 3.93Å; R121-L162 HydrophobicContact CG-CD1 3.85Å; T123-L162 HydrophobicContact CG2-CB 3.71Å; T123-L162 HydrophobicContact CG2-CD1 4.17Å; E160-L162 HydrophobicContact CG-CB 4.27Å; E160-L162 WeakPolarHBondContact OE1-CB 3.43Å; E160-L162 VanDerWaalsContact OE1-CG 3.31Å; E160-L162 WeakPolarHBondContact OE1-CG 3.32Å; E160-L162 PolarHBondContact OE1-N 3.13Å; L162-L278 HydrophobicContact CD2-CD1 3.85Å; L162-L281 HydrophobicContact CD2-CD2 4.46Å; L162-Y298 HydrophobicContact CD1-CD1 4.34Å; L162-Y298 HydrophobicContact CD2-CD1 3.85Å; L162-Y298 HydrophobicContact CD2-CG 4.4Å; L162-C300 HydrophobicContact CB-CB 4.41Å; L162-S304 WeakPolarHBondContact O-CB 3.2Å; L162-S304 PolarHBondContact O-OG 3.16Å
163F97.2Very high95Very high36 Ų3653.6 Ų53.616%0.15827%0.272CS..SBendtrans-154.3161.2169.261.4-91.8000110.1T123 L157 E160 I161 N165T123-F163 HydrophobicContact CG2-CD1 3.92Å; T123-F163 HydrophobicContact CG2-CE1 4.28Å; L157-F163 HydrophobicContact CD2-CE1 4.29Å; E160-F163 HydrophobicContact CB-CE1 3.76Å; E160-F163 HydrophobicContact CB-CZ 4.21Å; E160-F163 HydrophobicContact CG-CD1 3.8Å; E160-F163 HydrophobicContact CG-CE1 3.43Å; E160-F163 VanDerWaalsContact CG-CE1 3.43Å; E160-F163 HydrophobicContact CG-CZ 4.34Å; I161-F163 PolarHBondContact O-N 3.03Å; I161-F163 VanDerWaalsContact O-N 3.12Å; F163-N165 HydrophobicContact CD2-CB 4.35Å; F163-N165 HydrophobicContact CE2-CB 4Å; F163-N165 PolarHBondContact O-N 3.44Å; F163-N165 VanDerWaalsContact O-N 3.1Å
164P96.4Very high94.9Very high3 Ų357.4 Ų57.42%0.01929%0.29CS..  trans-59113.7174.3-26.838.8000111.4L172 F260 V274 L275 L307P164-L172 HydrophobicContact CB-CD1 4.29Å; P164-F260 HydrophobicContact CB-CD1 3.53Å; P164-F260 HydrophobicContact CB-CE1 3.74Å; P164-F260 HydrophobicContact CB-CG 4Å; P164-F260 HydrophobicContact CB-CZ 4.35Å; P164-F260 HydrophobicContact CG-CD1 4.13Å; P164-F260 HydrophobicContact CG-CD2 4.31Å; P164-F260 HydrophobicContact CG-CE1 4.32Å; P164-F260 HydrophobicContact CG-CE2 4.46Å; P164-F260 HydrophobicContact CG-CG 4.13Å; P164-F260 HydrophobicContact CG-CZ 4.49Å; P164-V274 HydrophobicContact CB-CG1 3.7Å; P164-V274 HydrophobicContact CG-CG1 4.12Å; P164-L275 HydrophobicContact CG-CD2 4.2Å; P164-L307 HydrophobicContact CG-CD1 4.28Å; P164-L307 HydrophobicContact CG-CD2 3.61Å; P164-L307 HydrophobicContact CG-CG 4.49Å
165N95.6Very high94.9Very high5 Ų557.7 Ų57.73%0.02729%0.291CS..  trans-118.5110.9-167.5-167.5-15.4000112L157 E160 F163 H167 I168 C169L157-N165 PolarHBondContact O-ND2 2.91Å; E160-N165 WeakPolarHBondContact O-CB 3.36Å; E160-N165 PolarHBondContact O-ND2 2.99Å; F163-N165 HydrophobicContact CD2-CB 4.35Å; F163-N165 HydrophobicContact CE2-CB 4Å; F163-N165 PolarHBondContact O-N 3.44Å; F163-N165 VanDerWaalsContact O-N 3.1Å; N165-H167 PolarHBondContact O-N 2.78Å; N165-H167 VanDerWaalsContact O-N 3.15Å; N165-H167 WeakPolarHBondContact OD1-CB 3.3Å; N165-H167 PolarHBondContact OD1-N 3.06Å; N165-H167 VanDerWaalsContact OD1-N 3.08Å; N165-I168 HydrophobicContact CB-CB 4.3Å; N165-I168 HydrophobicContact CB-CD1 3.99Å; N165-I168 HydrophobicContact CB-CG1 4.06Å; N165-I168 PolarHBondContact O-N 2.91Å; N165-C169 PolarHBondContact O-N 3.13Å
166P93.2Very high94.9Very high78 Ų7858.9 Ų58.951%0.50630%0.296SS..THydrogen-bonded Turntrans-66.2-14.7-179.427.6-35000113.5L172P166-L172 HydrophobicContact CB-CB 4.3Å; P166-L172 HydrophobicContact CB-CD1 4.44Å
167H93.1Very high95Very high142 Ų14257.2 Ų57.266%0.65729%0.293SS*.THydrogen-bonded Turntrans-77.3-20.5171.9-66.3-70.4000113.6N158 N165N158-H167 HydrophobicContact CB-CB 4.09Å; N158-H167 WeakPolarHBondContact O-CB 3.24Å; N165-H167 PolarHBondContact O-N 2.78Å; N165-H167 VanDerWaalsContact O-N 3.15Å; N165-H167 WeakPolarHBondContact OD1-CB 3.3Å; N165-H167 PolarHBondContact OD1-N 3.06Å; N165-H167 VanDerWaalsContact OD1-N 3.08Å
168I90.9Very high95.2Very high69 Ų6956.9 Ų56.935%0.35429%0.291SS..THydrogen-bonded Turntrans-100.3-40.2179.1-58.4178.8000110.3T159 E160 I161 N165T159-I168 WeakPolarHBondContact O-CD1 3.48Å; E160-I168 WeakPolarHBondContact O-CD1 3.23Å; I161-I168 HydrophobicContact CG2-CD1 3.8Å; N165-I168 HydrophobicContact CB-CB 4.3Å; N165-I168 HydrophobicContact CB-CD1 3.99Å; N165-I168 HydrophobicContact CB-CG1 4.06Å; N165-I168 PolarHBondContact O-N 2.91Å
169C92.8Very high95.3Very high19 Ų1953.1 Ų53.113%0.12827%0.271CS..  trans-114.495.6-177-1730000110.3N165 L171 L172N165-C169 PolarHBondContact O-N 3.13Å; C169-L171 PolarHBondContact O-N 3.48Å; C169-L171 VanDerWaalsContact O-N 3.17Å; C169-L172 HydrophobicContact CB-CD1 3.92Å; C169-L172 HydrophobicContact CB-CG 4.03Å; C169-L172 VanDerWaalsContact O-CB 3.32Å; C169-L172 WeakPolarHBondContact O-CB 3.22Å; C169-L172 PolarHBondContact O-N 2.98Å
170E91.2Very high95.3Very high177 Ų17753 Ų5383%0.82727%0.27SS*.THydrogen-bonded Turntrans-58.9-28.1179.2-63.8-178.2171.800112.8L172 L173E170-L172 PolarHBondContact O-N 3.46Å; E170-L173 PolarHBondContact O-N 3.41Å
171L93.3Very high95.2Very high53 Ų5356.2 Ų56.228%0.27729%0.29SS..Hα-helixtrans-59.5-28.7176.9-178.762.6000112.2C169 L173 Q174 L175 I273C169-L171 PolarHBondContact O-N 3.48Å; C169-L171 VanDerWaalsContact O-N 3.17Å; L171-L173 PolarHBondContact O-N 2.78Å; L171-L173 VanDerWaalsContact O-N 3.17Å; L171-Q174 HydrophobicContact CD1-CB 4.42Å; L171-Q174 WeakPolarHBondContact O-CB 3.41Å; L171-Q174 PolarHBondContact O-N 2.75Å; L171-L175 HydrophobicContact CD1-CD2 4.37Å; L171-L175 HydrophobicContact CD1-CG 4.3Å; L171-L175 HydrophobicContact CD2-CD1 4.04Å; L171-L175 HydrophobicContact CD2-CG 4.43Å; L171-L175 HydrophobicContact CG-CD1 3.84Å; L171-L175 HydrophobicContact CG-CD2 4.28Å; L171-L175 HydrophobicContact CG-CG 3.84Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 3.47Å; L171-I273 HydrophobicContact CD2-CD1 4.29Å; L171-I273 HydrophobicContact CD2-CG2 4.01Å
172L94.2Very high95.2Very high7 Ų757.8 Ų57.84%0.03730%0.297CS..Hα-helixtrans-56.9-34.2-177.7-81.3171.7000113.2P164 P166 C169 E170 L175 F176 F260 V274P164-L172 HydrophobicContact CB-CD1 4.29Å; P166-L172 HydrophobicContact CB-CB 4.3Å; P166-L172 HydrophobicContact CB-CD1 4.44Å; C169-L172 HydrophobicContact CB-CD1 3.92Å; C169-L172 HydrophobicContact CB-CG 4.03Å; C169-L172 VanDerWaalsContact O-CB 3.32Å; C169-L172 WeakPolarHBondContact O-CB 3.22Å; C169-L172 PolarHBondContact O-N 2.98Å; E170-L172 PolarHBondContact O-N 3.46Å; L172-L175 PolarHBondContact O-N 3.35Å; L172-F176 VanDerWaalsContact O-CB 3.26Å; L172-F176 WeakPolarHBondContact O-CB 2.92Å; L172-F176 PolarHBondContact O-N 3.31Å; L172-F260 HydrophobicContact CD2-CB 4.37Å; L172-F260 HydrophobicContact CD2-CD1 4.11Å; L172-F260 VanDerWaalsContact CD2-O 3.24Å; L172-F260 WeakPolarHBondContact CD2-O 3.34Å; L172-V274 HydrophobicContact CD1-CG1 4.45Å; L172-V274 HydrophobicContact CD2-CB 4.44Å; L172-V274 HydrophobicContact CD2-CG1 3.86Å; L172-V274 HydrophobicContact CD2-CG2 3.65Å; L172-V274 HydrophobicContact CG-CG1 4.48Å; L172-V274 HydrophobicContact CG-CG2 4.21Å
173L94.8Very high95.1Very high116 Ų11658.3 Ų58.361%0.60730%0.3SS*.Hα-helixtrans-66.8-39.8178.1-179.461.2000111.7E170 L171 N177E170-L173 PolarHBondContact O-N 3.41Å; L171-L173 PolarHBondContact O-N 2.78Å; L171-L173 VanDerWaalsContact O-N 3.17Å; L173-N177 PolarHBondContact O-N 3.41Å; L173-N177 PolarHBondContact O-ND2 3.1Å
174Q97.1Very high94.9Very high117 Ų11759.9 Ų59.955%0.54732%0.315SS..Hα-helixtrans-66.7-47175.1-177.1-174.4-25.200110.5L171 F176 N177 D178L171-Q174 HydrophobicContact CD1-CB 4.42Å; L171-Q174 WeakPolarHBondContact O-CB 3.41Å; L171-Q174 PolarHBondContact O-N 2.75Å; Q174-F176 VanDerWaalsContact C-N 3.31Å; Q174-F176 PolarHBondContact O-N 2.91Å; Q174-N177 PolarHBondContact O-N 2.87Å; Q174-N177 VanDerWaalsContact O-N 3.16Å; Q174-D178 PolarHBondContact O-N 3.3Å
175L97.8Very high94.8Very high6 Ų667.5 Ų67.53%0.03135%0.348CS..Hα-helixtrans-58.4-44.4178.5-63.5180000111.4L171 L172 N177 D178 G179 F260 G262 N270 V274L171-L175 HydrophobicContact CD1-CD2 4.37Å; L171-L175 HydrophobicContact CD1-CG 4.3Å; L171-L175 HydrophobicContact CD2-CD1 4.04Å; L171-L175 HydrophobicContact CD2-CG 4.43Å; L171-L175 HydrophobicContact CG-CD1 3.84Å; L171-L175 HydrophobicContact CG-CD2 4.28Å; L171-L175 HydrophobicContact CG-CG 3.84Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 3.47Å; L172-L175 PolarHBondContact O-N 3.35Å; L175-N177 VanDerWaalsContact C-N 3.35Å; L175-N177 PolarHBondContact O-N 3.07Å; L175-D178 PolarHBondContact O-N 3.46Å; L175-G179 PolarHBondContact O-N 3.48Å; L175-F260 WeakPolarHBondContact CD1-O 3.43Å; L175-G262 WeakPolarHBondContact O-CA 3.31Å; L175-N270 HydrophobicContact CD1-CB 3.99Å; L175-N270 WeakPolarHBondContact CD2-ND2 3.24Å; L175-V274 HydrophobicContact CD1-CG2 3.98Å
176F96.1Very high94.9Very high63 Ų6368.9 Ų68.928%0.27636%0.358SS..Hα-helixtrans-52-52.3174.2176.2-88.7000111.8L172 Q174 D178 G179 V180 E259L172-F176 VanDerWaalsContact O-CB 3.26Å; L172-F176 WeakPolarHBondContact O-CB 2.92Å; L172-F176 PolarHBondContact O-N 3.31Å; Q174-F176 VanDerWaalsContact C-N 3.31Å; Q174-F176 PolarHBondContact O-N 2.91Å; F176-D178 PolarHBondContact O-N 3.01Å; F176-G179 PolarHBondContact O-N 2.9Å; F176-V180 HydrophobicContact CD1-CG2 4.29Å; F176-V180 HydrophobicContact CD2-CG2 4.41Å; F176-V180 HydrophobicContact CE1-CG2 3.94Å; F176-V180 HydrophobicContact CE2-CG2 4.05Å; F176-V180 HydrophobicContact CG-CG2 4.5Å; F176-V180 HydrophobicContact CZ-CG2 3.8Å; F176-V180 WeakPolarHBondContact O-CB 3.42Å; F176-V180 VanDerWaalsContact O-CG2 3.24Å; F176-V180 WeakPolarHBondContact O-CG2 3.33Å; F176-V180 PolarHBondContact O-N 2.83Å; F176-E259 VanDerWaalsContact CA-O 3.28Å; F176-E259 WeakPolarHBondContact CA-O 3.39Å; F176-E259 HydrophobicContact CD2-CG 3.37Å; F176-E259 HydrophobicContact CE2-CG 3.61Å
177N96.1Very high95.1Very high82 Ų8272 Ų7244%0.43936%0.364SS..Hα-helixtrans-64.7-42.4-178.1-70.5-42.3000112.3L173 Q174 L175 T181L173-N177 PolarHBondContact O-N 3.41Å; L173-N177 PolarHBondContact O-ND2 3.1Å; Q174-N177 PolarHBondContact O-N 2.87Å; Q174-N177 VanDerWaalsContact O-N 3.16Å; L175-N177 VanDerWaalsContact C-N 3.35Å; L175-N177 PolarHBondContact O-N 3.07Å; N177-T181 VanDerWaalsContact O-CB 3.31Å; N177-T181 WeakPolarHBondContact O-CB 3.31Å; N177-T181 PolarHBondContact O-N 2.61Å; N177-T181 PolarHBondContact O-OG1 3.46Å
178D97.6Very high95.2Very high49 Ų4968.4 Ų68.426%0.26235%0.352SS..Hα-helixtrans-63.5-46.3178.2-76.6-25.4000111.3Q174 L175 F176 T181 E182 K263Q174-D178 PolarHBondContact O-N 3.3Å; L175-D178 PolarHBondContact O-N 3.46Å; F176-D178 PolarHBondContact O-N 3.01Å; D178-T181 PolarHBondContact O-N 2.84Å; D178-E182 PolarHBondContact O-N 3.31Å; D178-E182 VanDerWaalsContact O-N 3.07Å; D178-K263 HydrophobicContact CB-CG 4.15Å
179G97.6Very high95.5Very high0 Ų065.3 Ų65.30%034%0.336CS..Hα-helixtrans-68.1-43.4179.800000113.3L175 F176 T181 E182 C183 H258L175-G179 PolarHBondContact O-N 3.48Å; F176-G179 PolarHBondContact O-N 2.9Å; G179-T181 VanDerWaalsContact C-N 3.29Å; G179-T181 PolarHBondContact O-N 3.45Å; G179-E182 PolarHBondContact O-N 2.86Å; G179-C183 PolarHBondContact O-N 2.8Å; G179-C183 PolarHBondContact O-SG 3.16Å; G179-H258 WeakPolarHBondContact CA-O 3Å
180V94.3Very high95.7Very high57 Ų5769.4 Ų69.435%0.34535%0.353SS..Hα-helixtrans-60.8-41.1174.21690000110.6F176 E182 C183 C184F176-V180 HydrophobicContact CD1-CG2 4.29Å; F176-V180 HydrophobicContact CD2-CG2 4.41Å; F176-V180 HydrophobicContact CE1-CG2 3.94Å; F176-V180 HydrophobicContact CE2-CG2 4.05Å; F176-V180 HydrophobicContact CG-CG2 4.5Å; F176-V180 HydrophobicContact CZ-CG2 3.8Å; F176-V180 WeakPolarHBondContact O-CB 3.42Å; F176-V180 VanDerWaalsContact O-CG2 3.24Å; F176-V180 WeakPolarHBondContact O-CG2 3.33Å; F176-V180 PolarHBondContact O-N 2.83Å; V180-E182 VanDerWaalsContact C-N 3.33Å; V180-E182 PolarHBondContact O-N 2.97Å; V180-C183 PolarHBondContact O-N 3.29Å; V180-C184 WeakPolarHBondContact O-CB 3.46Å; V180-C184 PolarHBondContact O-N 2.67Å; V180-C184 PolarHBondContact O-SG 3.32Å
181T95.8Very high96Very high69 Ų6965.3 Ų65.342%0.42333%0.334SS..Hα-helixtrans-62.1-40.1176.8-62.30000112N177 D178 G179 K185N177-T181 VanDerWaalsContact O-CB 3.31Å; N177-T181 WeakPolarHBondContact O-CB 3.31Å; N177-T181 PolarHBondContact O-N 2.61Å; N177-T181 PolarHBondContact O-OG1 3.46Å; D178-T181 PolarHBondContact O-N 2.84Å; G179-T181 VanDerWaalsContact C-N 3.29Å; G179-T181 PolarHBondContact O-N 3.45Å; T181-K185 HydrophobicContact CG2-CD 4.48Å; T181-K185 WeakPolarHBondContact O-CG 3.5Å; T181-K185 PolarHBondContact O-N 2.95Å
182E96.8Very high96.2Very high64 Ų6462.9 Ų62.930%0.29932%0.321SS..Hα-helixtrans-67.9-44.8176-167.5172.1148.800111.8D178 G179 V180 C184 K185 S186 H258 K263 R264D178-E182 PolarHBondContact O-N 3.31Å; D178-E182 VanDerWaalsContact O-N 3.07Å; G179-E182 PolarHBondContact O-N 2.86Å; V180-E182 VanDerWaalsContact C-N 3.33Å; V180-E182 PolarHBondContact O-N 2.97Å; E182-C184 VanDerWaalsContact C-N 3.33Å; E182-C184 PolarHBondContact O-N 2.93Å; E182-K185 PolarHBondContact O-N 3.4Å; E182-K185 VanDerWaalsContact O-N 3.12Å; E182-S186 PolarHBondContact O-N 3.02Å; E182-S186 VanDerWaalsContact O-N 3.13Å; E182-H258 VanDerWaalsContact CD-CE1 3.42Å; E182-H258 IonicContact OE1-CE1 2.58Å; E182-H258 PolarHBondContact OE1-CE1 2.89Å; E182-H258 IonicContact OE2-CE1 3.49Å; E182-K263 WeakPolarHBondContact OE2-CA 3.38Å; E182-K263 VanDerWaalsContact OE2-CB 3.28Å; E182-K263 WeakPolarHBondContact OE2-CB 3.45Å; E182-K263 WeakPolarHBondContact OE2-CG 3.29Å; E182-R264 WeakPolarHBondContact OE1-CB 3.34Å; E182-R264 PolarHBondContact OE2-N 2.97Å
183C95.8Very high96.4Very high12 Ų1264.2 Ų64.28%0.08133%0.327CS..Hα-helixtrans-56.9-44.9174.8-70.40000111.9G179 V180 K185 S186 F189 H258G179-C183 PolarHBondContact O-N 2.8Å; G179-C183 PolarHBondContact O-SG 3.16Å; V180-C183 PolarHBondContact O-N 3.29Å; C183-K185 PolarHBondContact O-N 3.19Å; C183-S186 WeakPolarHBondContact O-CB 3.4Å; C183-S186 PolarHBondContact O-N 3.34Å; C183-S186 VanDerWaalsContact O-N 3.08Å; C183-F189 HydrophobicContact CB-CD1 4.28Å; C183-F189 HydrophobicContact CB-CE1 4.48Å; C183-F189 HydrophobicContact CB-CG 4.41Å; C183-H258 VanDerWaalsContact SG-CB 3.5Å; C183-H258 PolarHBondContact SG-CD2 3.08Å
184C92.7Very high96.5Very high70 Ų7062.5 Ų62.547%0.47332%0.316SS..Hα-helixtrans-61.9-29.6179.2-76.20000113.4V180 E182 Q190V180-C184 WeakPolarHBondContact O-CB 3.46Å; V180-C184 PolarHBondContact O-N 2.67Å; V180-C184 PolarHBondContact O-SG 3.32Å; E182-C184 VanDerWaalsContact C-N 3.33Å; E182-C184 PolarHBondContact O-N 2.93Å; C184-Q190 PolarHBondContact O-NE2 3.38Å
185K94.9Very high96.6Very high162 Ų16261 Ų6170%0.70431%0.307SS*.Hα-helixtrans-85.5-15.1177.1-68.2171-175.9173.70112.8T181 E182 C183 K187T181-K185 HydrophobicContact CG2-CD 4.48Å; T181-K185 WeakPolarHBondContact O-CG 3.5Å; T181-K185 PolarHBondContact O-N 2.95Å; E182-K185 PolarHBondContact O-N 3.4Å; E182-K185 VanDerWaalsContact O-N 3.12Å; C183-K185 PolarHBondContact O-N 3.19Å; K185-K187 PolarHBondContact O-N 2.84Å
186S96.8Very high96.6Very high35 Ų3560.7 Ų60.725%0.24531%0.306CS..  trans-78.2123.5-175.3-178.30000111.9E182 C183 T188 F189 Q190E182-S186 PolarHBondContact O-N 3.02Å; E182-S186 VanDerWaalsContact O-N 3.13Å; C183-S186 WeakPolarHBondContact O-CB 3.4Å; C183-S186 PolarHBondContact O-N 3.34Å; C183-S186 VanDerWaalsContact O-N 3.08Å; S186-T188 VanDerWaalsContact C-N 3.29Å; S186-T188 PolarHBondContact O-N 3.06Å; S186-F189 PolarHBondContact O-N 3.14Å; S186-F189 WeakPolarHBondContact OG-CD2 3.46Å; S186-Q190 WeakPolarHBondContact O-CG 3.31Å; S186-Q190 PolarHBondContact O-N 3.09Å; S186-Q190 VanDerWaalsContact O-N 3.16Å
187K97.1Very high96.7Very high143 Ų14359.5 Ų59.562%0.62230%0.3SS*.Hα-helixtrans-58.6-40.4177.7-177173.8171.6177.50111.9K185 F189 Q190 E191K185-K187 PolarHBondContact O-N 2.84Å; K187-F189 PolarHBondContact O-N 3.07Å; K187-Q190 PolarHBondContact O-N 3.02Å; K187-E191 WeakPolarHBondContact CE-OE1 3.43Å; K187-E191 HydrophobicContact CG-CG 4.32Å; K187-E191 IonicContact NZ-OE1 3.85Å; K187-E191 WeakPolarHBondContact O-CB 3.23Å; K187-E191 WeakPolarHBondContact O-CG 3.27Å; K187-E191 PolarHBondContact O-N 2.83Å
188T96.6Very high96.9Very high66 Ų6661.7 Ų61.741%0.40531%0.308SS..Hα-helixtrans-59.3-45.3178.9-53.30000111.8S186 E191 I192 I251S186-T188 VanDerWaalsContact C-N 3.29Å; S186-T188 PolarHBondContact O-N 3.06Å; T188-E191 PolarHBondContact O-N 2.89Å; T188-I192 WeakPolarHBondContact O-CG1 3.5Å; T188-I192 PolarHBondContact O-N 3.22Å; T188-I192 VanDerWaalsContact O-N 3.09Å; T188-I251 HydrophobicContact CG2-CD1 3.88Å; T188-I251 HydrophobicContact CG2-CG1 4.49Å
189F96.7Very high96.9Very high4 Ų460.9 Ų60.92%0.01830%0.303CS..Hα-helixtrans-67.1-40.7179.3-75.5-98.1000111.6C183 S186 K187 I192 K193 I220 I251 E254 E255C183-F189 HydrophobicContact CB-CD1 4.28Å; C183-F189 HydrophobicContact CB-CE1 4.48Å; C183-F189 HydrophobicContact CB-CG 4.41Å; S186-F189 PolarHBondContact O-N 3.14Å; S186-F189 WeakPolarHBondContact OG-CD2 3.46Å; K187-F189 PolarHBondContact O-N 3.07Å; F189-I192 PolarHBondContact O-N 2.98Å; F189-K193 WeakPolarHBondContact O-CB 3.45Å; F189-K193 WeakPolarHBondContact O-CG 3.34Å; F189-K193 PolarHBondContact O-N 3.34Å; F189-I220 HydrophobicContact CB-CD1 4.26Å; F189-I220 HydrophobicContact CD1-CD1 3.57Å; F189-I220 HydrophobicContact CE1-CD1 4.33Å; F189-I220 HydrophobicContact CG-CD1 4.27Å; F189-I251 HydrophobicContact CD1-CG2 4.2Å; F189-I251 HydrophobicContact CE1-CG2 3.96Å; F189-I251 HydrophobicContact CZ-CG2 4.34Å; F189-E254 HydrophobicContact CZ-CB 4.14Å; F189-E254 HydrophobicContact CZ-CG 4.24Å; F189-E255 HydrophobicContact CD1-CG 4.22Å; F189-E255 HydrophobicContact CE1-CB 3.62Å; F189-E255 HydrophobicContact CE1-CG 3.68Å; F189-E255 HydrophobicContact CZ-CB 4.37Å
190Q96.5Very high96.9Very high105 Ų10560.9 Ų60.949%0.49130%0.303SS..Hα-helixtrans-61.9-44.5175.7-67.5174.21.100111.9C184 S186 K187 K193 Q194C184-Q190 PolarHBondContact O-NE2 3.38Å; S186-Q190 WeakPolarHBondContact O-CG 3.31Å; S186-Q190 PolarHBondContact O-N 3.09Å; S186-Q190 VanDerWaalsContact O-N 3.16Å; K187-Q190 PolarHBondContact O-N 3.02Å; Q190-K193 PolarHBondContact O-N 3.5Å; Q190-Q194 WeakPolarHBondContact O-CB 3.35Å; Q190-Q194 PolarHBondContact O-N 3.08Å
191E97.8Very high97.1Very high91 Ų9159.9 Ų59.943%0.42530%0.304SS..Hα-helixtrans-63.3-42.3178.7-75.2176.8171.900112.2K187 T188 Q194 K195K187-E191 WeakPolarHBondContact CE-OE1 3.43Å; K187-E191 HydrophobicContact CG-CG 4.32Å; K187-E191 IonicContact NZ-OE1 3.85Å; K187-E191 WeakPolarHBondContact O-CB 3.23Å; K187-E191 WeakPolarHBondContact O-CG 3.27Å; K187-E191 PolarHBondContact O-N 2.83Å; T188-E191 PolarHBondContact O-N 2.89Å; E191-Q194 PolarHBondContact O-N 3.24Å; E191-K195 WeakPolarHBondContact O-CG 3.44Å; E191-K195 PolarHBondContact O-N 2.86Å
192I97.9Very high97.1Very high2 Ų258 Ų581%0.0129%0.292CS..Hα-helixtrans-66.3-44.2175.6-66.1-60.6000111.5T188 F189 Q194 K195 L196 I220 L244 E247 I251T188-I192 WeakPolarHBondContact O-CG1 3.5Å; T188-I192 PolarHBondContact O-N 3.22Å; T188-I192 VanDerWaalsContact O-N 3.09Å; F189-I192 PolarHBondContact O-N 2.98Å; I192-Q194 PolarHBondContact O-N 3.11Å; I192-K195 HydrophobicContact CD1-CD 4.27Å; I192-K195 PolarHBondContact O-N 2.82Å; I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.22Å; I192-L196 WeakPolarHBondContact O-CB 3.41Å; I192-L196 VanDerWaalsContact O-CG 3.31Å; I192-L196 WeakPolarHBondContact O-CG 3.31Å; I192-L196 PolarHBondContact O-N 2.92Å; I192-I220 HydrophobicContact CB-CD1 3.99Å; I192-I220 HydrophobicContact CG2-CD1 3.84Å; I192-I220 HydrophobicContact CG2-CG1 4.35Å; I192-I220 HydrophobicContact CG2-CG2 3.7Å; I192-L244 HydrophobicContact CD1-CD1 4.29Å; I192-E247 HydrophobicContact CD1-CG 4.39Å; I192-I251 HydrophobicContact CD1-CD1 3.82Å; I192-I251 HydrophobicContact CG1-CD1 3.45Å; I192-I251 VanDerWaalsContact CG1-CD1 3.45Å
193K97.3Very high97Very high36 Ų3663.5 Ų63.516%0.15732%0.318CS..Hα-helixtrans-57.6-40.8175.2-75-176175.9-168.40111F189 Q190 L196 K197 L205 D217 C218 I220F189-K193 WeakPolarHBondContact O-CB 3.45Å; F189-K193 WeakPolarHBondContact O-CG 3.34Å; F189-K193 PolarHBondContact O-N 3.34Å; Q190-K193 PolarHBondContact O-N 3.5Å; K193-L196 PolarHBondContact O-N 2.73Å; K193-K197 WeakPolarHBondContact O-CG 3.44Å; K193-K197 PolarHBondContact O-N 2.89Å; K193-L205 HydrophobicContact CB-CD1 4.24Å; K193-L205 HydrophobicContact CG-CD1 4.14Å; K193-D217 HydrophobicContact CD-CB 3.93Å; K193-D217 PolarHBondContact NZ-O 3.44Å; K193-C218 WeakPolarHBondContact CE-O 3.36Å; K193-C218 PolarHBondContact NZ-O 2.83Å; K193-I220 HydrophobicContact CD-CG1 4.43Å; K193-I220 HydrophobicContact CG-CD1 4.17Å; K193-I220 HydrophobicContact CG-CG1 3.71Å
194Q98Very high96.8Very high80 Ų8065 Ų6537%0.37432%0.323SS..Hα-helixtrans-64.2-47.2176.1-17455.139.500112.6Q190 E191 I192 L196 K197 E198Q190-Q194 WeakPolarHBondContact O-CB 3.35Å; Q190-Q194 PolarHBondContact O-N 3.08Å; E191-Q194 PolarHBondContact O-N 3.24Å; I192-Q194 PolarHBondContact O-N 3.11Å; Q194-L196 VanDerWaalsContact C-N 3.31Å; Q194-L196 PolarHBondContact O-N 2.91Å; Q194-K197 WeakPolarHBondContact O-CB 3.39Å; Q194-K197 PolarHBondContact O-N 3.42Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.24Å; Q194-E198 PolarHBondContact NE2-OE1 2.92Å; Q194-E198 WeakPolarHBondContact O-CG 3.23Å; Q194-E198 PolarHBondContact O-N 2.68Å
195K98.5Very high96.9Very high85 Ų8561.7 Ų61.737%0.3730%0.301SS..Hα-helixtrans-57.9-42.9174.1-71.5176.1-173.2172.10112E191 I192 E198 I199E191-K195 WeakPolarHBondContact O-CG 3.44Å; E191-K195 PolarHBondContact O-N 2.86Å; I192-K195 HydrophobicContact CD1-CD 4.27Å; I192-K195 PolarHBondContact O-N 2.82Å; K195-E198 PolarHBondContact O-N 2.87Å; K195-I199 WeakPolarHBondContact O-CB 3.44Å; K195-I199 WeakPolarHBondContact O-CD1 3.31Å; K195-I199 WeakPolarHBondContact O-CG1 3.47Å; K195-I199 PolarHBondContact O-N 3.25Å
196L98.6Very high96.8Very high0 Ų058 Ų580%029%0.288CS..Hα-helixtrans-64-41.6178.8-71.7176.2000111.9I192 K193 Q194 E198 I199 L200 L205 I220 V223 L241 L244 M248I192-L196 HydrophobicContact CG2-CD1 3.96Å; I192-L196 HydrophobicContact CG2-CG 4.22Å; I192-L196 WeakPolarHBondContact O-CB 3.41Å; I192-L196 VanDerWaalsContact O-CG 3.31Å; I192-L196 WeakPolarHBondContact O-CG 3.31Å; I192-L196 PolarHBondContact O-N 2.92Å; K193-L196 PolarHBondContact O-N 2.73Å; Q194-L196 VanDerWaalsContact C-N 3.31Å; Q194-L196 PolarHBondContact O-N 2.91Å; L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 3.34Å; L196-I199 PolarHBondContact O-N 2.9Å; L196-L200 VanDerWaalsContact O-CB 3.29Å; L196-L200 WeakPolarHBondContact O-CB 3.26Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.32Å; L196-L200 PolarHBondContact O-N 3.41Å; L196-L205 HydrophobicContact CB-CD1 4.11Å; L196-L205 HydrophobicContact CB-CD2 4.11Å; L196-L205 HydrophobicContact CD1-CD1 4.3Å; L196-I220 HydrophobicContact CD1-CG2 3.75Å; L196-V223 HydrophobicContact CD1-CB 4.11Å; L196-V223 HydrophobicContact CD1-CG1 4.27Å; L196-V223 HydrophobicContact CD1-CG2 4.09Å; L196-V223 HydrophobicContact CD2-CG1 4.11Å; L196-L241 HydrophobicContact CD2-CD1 3.31Å; L196-L244 HydrophobicContact CD2-CD2 3.8Å; L196-L244 HydrophobicContact CG-CD2 4.35Å; L196-M248 HydrophobicContact CD1-CE 4.17Å; L196-M248 HydrophobicContact CD2-CE 3.99Å; L196-M248 HydrophobicContact CD2-SD 3.98Å
197K98.2Very high96.6Very high38 Ų3857 Ų5717%0.16528%0.28CS..Hα-helixtrans-59-44.6174-77.7-171.8-61.1174.50112.3K193 Q194 L200 G201 V202 E203 L205K193-K197 WeakPolarHBondContact O-CG 3.44Å; K193-K197 PolarHBondContact O-N 2.89Å; Q194-K197 WeakPolarHBondContact O-CB 3.39Å; Q194-K197 PolarHBondContact O-N 3.42Å; K197-L200 PolarHBondContact O-N 2.99Å; K197-G201 WeakPolarHBondContact O-CA 3.4Å; K197-G201 PolarHBondContact O-N 2.93Å; K197-V202 HydrophobicContact CB-CG2 4.46Å; K197-V202 VanDerWaalsContact CB-O 3.22Å; K197-V202 WeakPolarHBondContact CB-O 3.46Å; K197-V202 HydrophobicContact CG-CG2 4.25Å; K197-V202 PolarHBondContact O-N 3.11Å; K197-E203 WeakPolarHBondContact CD-O 3.35Å; K197-L205 HydrophobicContact CG-CD2 3.91Å; K197-L205 HydrophobicContact CG-CG 3.82Å
198E98.5Very high96.2Very high127 Ų12751.5 Ų51.559%0.59326%0.259SS*.Hα-helixtrans-63.4-47.4176-71.3164.6-163.200112Q194 K195 L196 L200 G201Q194-E198 WeakPolarHBondContact CG-OE1 3.24Å; Q194-E198 PolarHBondContact NE2-OE1 2.92Å; Q194-E198 WeakPolarHBondContact O-CG 3.23Å; Q194-E198 PolarHBondContact O-N 2.68Å; K195-E198 PolarHBondContact O-N 2.87Å; L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 3.34Å; E198-L200 VanDerWaalsContact C-N 3.31Å; E198-L200 PolarHBondContact O-N 3.01Å; E198-G201 PolarHBondContact O-N 2.83Å
199I98.4Very high95.9Very high33 Ų3350 Ų5017%0.16925%0.25CC..Hα-helixtrans-63-39.1179.4-68.1164.4000111.5K195 L196 P238 E240 L241 L244K195-I199 WeakPolarHBondContact O-CB 3.44Å; K195-I199 WeakPolarHBondContact O-CD1 3.31Å; K195-I199 WeakPolarHBondContact O-CG1 3.47Å; K195-I199 PolarHBondContact O-N 3.25Å; L196-I199 PolarHBondContact O-N 2.9Å; I199-P238 HydrophobicContact CG2-CB 3.68Å; I199-P238 HydrophobicContact CG2-CG 4.14Å; I199-E240 HydrophobicContact CD1-CB 4.13Å; I199-E240 HydrophobicContact CG1-CB 3.99Å; I199-E240 HydrophobicContact CG2-CB 4.42Å; I199-L241 HydrophobicContact CG2-CB 3.9Å; I199-L244 HydrophobicContact CD1-CD2 4.02Å
200L98.1Very high94.8Very high0 Ų054.6 Ų54.60%027%0.272CS..Hα-helixtrans-87.6-7.1-178.6-62.3-177000113.1V25 S27 P28 L196 K197 E198 V202 L205 V223 Y227 P238 L241V25-L200 HydrophobicContact CG1-CD1 4.13Å; S27-L200 WeakPolarHBondContact CB-O 3.41Å; S27-L200 PolarHBondContact OG-O 3.16Å; P28-L200 WeakPolarHBondContact CD-O 3.44Å; L196-L200 VanDerWaalsContact O-CB 3.29Å; L196-L200 WeakPolarHBondContact O-CB 3.26Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.32Å; L196-L200 PolarHBondContact O-N 3.41Å; K197-L200 PolarHBondContact O-N 2.99Å; E198-L200 VanDerWaalsContact C-N 3.31Å; E198-L200 PolarHBondContact O-N 3.01Å; L200-V202 HydrophobicContact CB-CG2 4.04Å; L200-L205 HydrophobicContact CD1-CD2 4.02Å; L200-V223 HydrophobicContact CD1-CG1 3.91Å; L200-Y227 HydrophobicContact CD1-CE2 4.19Å; L200-Y227 HydrophobicContact CD2-CE1 3.96Å; L200-Y227 HydrophobicContact CD2-CE2 4.03Å; L200-Y227 WeakPolarHBondContact CD2-OH 3.19Å; L200-P238 HydrophobicContact CD2-CG 4.19Å; L200-L241 HydrophobicContact CD2-CD2 4.45Å
201G97.7Very high93.3Very high35 Ų3557.1 Ų57.136%0.36128%0.283SS..THydrogen-bonded Turntrans63.141.3-178.600000113.1P28 K197 E198P28-G201 WeakPolarHBondContact CG-O 3.46Å; K197-G201 WeakPolarHBondContact O-CA 3.4Å; K197-G201 PolarHBondContact O-N 2.93Å; E198-G201 PolarHBondContact O-N 2.83Å
202V95.9Very high91.5Very high29 Ų2957.7 Ų57.718%0.17628%0.282CS..  trans-127.5144.3-179.2-63.70000111.3P28 K197 L200 K204 L205P28-V202 VanDerWaalsContact CD-CG1 3.44Å; P28-V202 HydrophobicContact CG-CG1 4.29Å; K197-V202 HydrophobicContact CB-CG2 4.46Å; K197-V202 VanDerWaalsContact CB-O 3.22Å; K197-V202 WeakPolarHBondContact CB-O 3.46Å; K197-V202 HydrophobicContact CG-CG2 4.25Å; K197-V202 PolarHBondContact O-N 3.11Å; L200-V202 HydrophobicContact CB-CG2 4.04Å; V202-K204 WeakPolarHBondContact CB-O 3.42Å; V202-K204 VanDerWaalsContact CG2-O 3.31Å; V202-K204 WeakPolarHBondContact CG2-O 3.49Å; V202-K204 PolarHBondContact O-N 3.49Å; V202-L205 HydrophobicContact CG2-CD2 4.03Å
203E94.2Very high89.5Confident180 Ų18061.2 Ų61.284%0.84131%0.307SS*.SBendtrans-72.4-19.8171.2-66.1-58.4148.500112.4K197K197-E203 WeakPolarHBondContact CD-O 3.35Å
204K92.9Very high87.9Confident44 Ų4464.5 Ų64.519%0.19133%0.33CS..SBendtrans-150.6138.7-175-164.3179.2179.4-1510112.3V202 L206 T214 Y216 D217V202-K204 WeakPolarHBondContact CB-O 3.42Å; V202-K204 VanDerWaalsContact CG2-O 3.31Å; V202-K204 WeakPolarHBondContact CG2-O 3.49Å; V202-K204 PolarHBondContact O-N 3.49Å; K204-L206 HydrophobicContact CB-CG 4.4Å; K204-L206 HydrophobicContact CD-CD2 3.74Å; K204-L206 HydrophobicContact CD-CG 4.16Å; K204-L206 HydrophobicContact CG-CD2 4.18Å; K204-L206 HydrophobicContact CG-CG 4.2Å; K204-L206 PolarHBondContact O-N 3.16Å; K204-T214 PolarHBondContact NZ-O 3.1Å; K204-Y216 WeakPolarHBondContact CE-O 3.26Å; K204-Y216 PolarHBondContact NZ-O 2.77Å; K204-D217 WeakPolarHBondContact CA-OD1 3.47Å; K204-D217 VanDerWaalsContact CG-OD1 3.23Å; K204-D217 WeakPolarHBondContact CG-OD1 3.43Å
205L94.6Very high86.8Confident1 Ų166.2 Ų66.21%0.00534%0.342CS..  trans-81107.7172-57.3176.5000109.6K193 L196 K197 L200 V202 D217 C218 V223K193-L205 HydrophobicContact CB-CD1 4.24Å; K193-L205 HydrophobicContact CG-CD1 4.14Å; L196-L205 HydrophobicContact CB-CD1 4.11Å; L196-L205 HydrophobicContact CB-CD2 4.11Å; L196-L205 HydrophobicContact CD1-CD1 4.3Å; K197-L205 HydrophobicContact CG-CD2 3.91Å; K197-L205 HydrophobicContact CG-CG 3.82Å; L200-L205 HydrophobicContact CD1-CD2 4.02Å; V202-L205 HydrophobicContact CG2-CD2 4.03Å; L205-D217 HydrophobicContact CB-CB 4.16Å; L205-D217 PolarHBondContact N-OD1 3.05Å; L205-C218 PolarHBondContact O-N 3.2Å; L205-V223 HydrophobicContact CD1-CG2 4.14Å; L205-V223 HydrophobicContact CD2-CG2 4.26Å
206L92.4Very high86.1Confident83 Ų8370.7 Ų70.744%0.43536%0.358SS..  trans-119.7131.8-178.6-68.2176.2000110.8V25 K204V25-L206 WeakPolarHBondContact CA-O 3.29Å; K204-L206 HydrophobicContact CB-CG 4.4Å; K204-L206 HydrophobicContact CD-CD2 3.74Å; K204-L206 HydrophobicContact CD-CG 4.16Å; K204-L206 HydrophobicContact CG-CD2 4.18Å; K204-L206 HydrophobicContact CG-CG 4.2Å; K204-L206 PolarHBondContact O-N 3.16Å
207D91.8Very high85.8Confident15 Ų1572.6 Ų72.68%0.0837%0.368CS..BIsolated β-bridgetrans-96.4131170.4167.546.2000110.7H24 V25 V209 E210 C218 F222H24-D207 PolarHBondContact N-OD1 3Å; H24-D207 WeakPolarHBondContact O-CA 3.28Å; V25-D207 HydrophobicContact CG2-CB 4.48Å; D207-V209 WeakPolarHBondContact OD1-CB 3.28Å; D207-V209 PolarHBondContact OD1-N 3.08Å; D207-V209 PolarHBondContact OD2-N 3.13Å; D207-E210 VanDerWaalsContact OD2-CB 3.32Å; D207-E210 WeakPolarHBondContact OD2-CB 3.32Å; D207-E210 WeakPolarHBondContact OD2-CG 3.13Å; D207-E210 PolarHBondContact OD2-N 3.22Å; D207-C218 HydrophobicContact CB-CB 4.47Å; D207-F222 HydrophobicContact CB-CD2 3.71Å; D207-F222 HydrophobicContact CB-CE2 4.12Å
208C90.6Very high85.6Confident27 Ų2771.3 Ų71.318%0.18236%0.363CS..THydrogen-bonded Turntrans-80.2-17.8-180-59.10000113.3H24 K26 F72H24-C208 HydrophobicContact CB-CB 4.2Å; H24-C208 PolarHBondContact O-N 3Å; K26-C208 WeakPolarHBondContact CE-SG 3.38Å; F72-C208 HydrophobicContact CE2-CB 4.46Å; F72-C208 WeakPolarHBondContact CE2-O 3.26Å; F72-C208 HydrophobicContact CZ-CB 4.04Å
209V88.5Confident85.4Confident34 Ų3466.1 Ų66.121%0.20634%0.341CS..THydrogen-bonded Turntrans-79.6-57.7-174.9-1790000110.9H24 F72 V80 D207 Q211H24-V209 HydrophobicContact CB-CG2 3.96Å; F72-V209 HydrophobicContact CB-CB 4.49Å; F72-V209 HydrophobicContact CB-CG1 3.93Å; F72-V209 HydrophobicContact CB-CG2 4.24Å; F72-V209 HydrophobicContact CD1-CG2 3.81Å; F72-V209 HydrophobicContact CE1-CG2 4.28Å; F72-V209 HydrophobicContact CG-CB 4.44Å; F72-V209 HydrophobicContact CG-CG1 4.4Å; F72-V209 HydrophobicContact CG-CG2 3.96Å; V80-V209 HydrophobicContact CG1-CG2 3.94Å; D207-V209 WeakPolarHBondContact OD1-CB 3.28Å; D207-V209 PolarHBondContact OD1-N 3.08Å; D207-V209 PolarHBondContact OD2-N 3.13Å; V209-Q211 VanDerWaalsContact C-N 3.32Å; V209-Q211 PolarHBondContact O-N 3.33Å
210E75.3Confident85.4Confident101 Ų10164.6 Ų64.647%0.47233%0.333SS..THydrogen-bonded Turntrans-81.3-13.2-173.9-69-96.712800113.2F23 D207 R212 F222F23-E210 HydrophobicContact CD1-CG 4.38Å; F23-E210 HydrophobicContact CE1-CG 4.22Å; D207-E210 VanDerWaalsContact OD2-CB 3.32Å; D207-E210 WeakPolarHBondContact OD2-CB 3.32Å; D207-E210 WeakPolarHBondContact OD2-CG 3.13Å; D207-E210 PolarHBondContact OD2-N 3.22Å; E210-R212 HydrophobicContact CB-CG 3.79Å; E210-R212 PolarHBondContact O-N 2.91Å; E210-R212 IonicContact OE2-CZ 2.67Å; E210-R212 IonicContact OE2-NE 3.1Å; E210-R212 PolarHBondContact OE2-NE 2.98Å; E210-R212 IonicContact OE2-NH2 3.66Å; E210-R212 PolarHBondContact OE2-NH2 3.19Å; E210-F222 HydrophobicContact CG-CE2 4.37Å
211Q64.5Low85.3Confident158 Ų15865.3 Ų65.374%0.73834%0.336SS*.  trans39.739.2-176.5-60.8-172.22.200113.2V209V209-Q211 VanDerWaalsContact C-N 3.32Å; V209-Q211 PolarHBondContact O-N 3.33Å
212R60.4Low85.3Confident103 Ų10363.7 Ų63.739%0.38932%0.318SS..  trans-57.6157.6-179.6-63.3-176.1-173.5-172.2-3.7110.1E210 T214 F222E210-R212 HydrophobicContact CB-CG 3.79Å; E210-R212 PolarHBondContact O-N 2.91Å; E210-R212 IonicContact OE2-CZ 2.67Å; E210-R212 IonicContact OE2-NE 3.1Å; E210-R212 PolarHBondContact OE2-NE 2.98Å; E210-R212 IonicContact OE2-NH2 3.66Å; E210-R212 PolarHBondContact OE2-NH2 3.19Å; R212-T214 PolarHBondContact O-N 3.41Å; R212-F222 VanDerWaalsContact CZ-CZ 3.49Å
213S55.8Low85.4Confident77 Ų7762.3 Ų62.354%0.53831%0.31SS..  trans-41.5131.5176.8177.70000111.5D215S213-D215 PolarHBondContact O-N 2.83Å; S213-D215 PolarHBondContact OG-OD2 2.97Å
214T62.2Low85.6Confident105 Ų10553.9 Ų53.964%0.64427%0.271SS*.THydrogen-bonded Turntrans-73.414.6-175.153.10000113.7K204 R212K204-T214 PolarHBondContact NZ-O 3.1Å; R212-T214 PolarHBondContact O-N 3.41Å
215D76.1Confident85.8Confident115 Ų11552.1 Ų52.162%0.61526%0.263SS*.THydrogen-bonded Turntrans-92.4-26.7-178.2-58.3-29.4000113.8S213S213-D215 PolarHBondContact O-N 2.83Å; S213-D215 PolarHBondContact OG-OD2 2.97Å
216Y84Confident86Confident180 Ų18052 Ų5271%0.70626%0.263SS*.SBendtrans-125.7145.6-176.3-54.3-74.4000114.1K204K204-Y216 WeakPolarHBondContact CE-O 3.26Å; K204-Y216 PolarHBondContact NZ-O 2.77Å
217D92.3Very high86.3Confident40 Ų4048.1 Ų48.121%0.21424%0.242CC..PPolyproline II helixtrans-55.9138.2171.2-75.3-42.4000110.3K193 K204 L205K193-D217 HydrophobicContact CD-CB 3.93Å; K193-D217 PolarHBondContact NZ-O 3.44Å; K204-D217 WeakPolarHBondContact CA-OD1 3.47Å; K204-D217 VanDerWaalsContact CG-OD1 3.23Å; K204-D217 WeakPolarHBondContact CG-OD1 3.43Å; L205-D217 HydrophobicContact CB-CB 4.16Å; L205-D217 PolarHBondContact N-OD1 3.05Å
218C93.7Very high86.6Confident10 Ų1047.9 Ų47.97%0.06824%0.241CC..PPolyproline II helixtrans-59.1163.917173.90000111.6K193 L205 D207 F222K193-C218 WeakPolarHBondContact CE-O 3.36Å; K193-C218 PolarHBondContact NZ-O 2.83Å; L205-C218 PolarHBondContact O-N 3.2Å; D207-C218 HydrophobicContact CB-CB 4.47Å; C218-F222 HydrophobicContact CB-CB 4.41Å; C218-F222 HydrophobicContact CB-CD2 3.67Å; C218-F222 HydrophobicContact CB-CE2 4.33Å; C218-F222 HydrophobicContact CB-CG 4.24Å
219P94.7Very high86.9Confident19 Ų1946.7 Ų46.712%0.12323%0.233CC..PPolyproline II helixtrans-55.2147.4172-25.535.3000112.4Y221 F222 E255P219-Y221 HydrophobicContact CB-CD1 3.57Å; P219-Y221 HydrophobicContact CB-CE1 3.41Å; P219-Y221 VanDerWaalsContact CB-CE1 3.41Å; P219-Y221 HydrophobicContact CB-CG 4.26Å; P219-Y221 HydrophobicContact CG-CE1 3.98Å; P219-Y221 PolarHBondContact O-N 2.76Å; P219-F222 HydrophobicContact CB-CD1 3.77Å; P219-F222 HydrophobicContact CB-CE1 4.1Å; P219-F222 HydrophobicContact CB-CG 4.32Å; P219-F222 HydrophobicContact CG-CD1 3.86Å; P219-F222 HydrophobicContact CG-CE1 3.71Å; P219-F222 HydrophobicContact CG-CG 4.38Å; P219-F222 HydrophobicContact CG-CZ 4.12Å; P219-F222 VanDerWaalsContact O-CB 3.31Å; P219-F222 WeakPolarHBondContact O-CB 3.45Å; P219-F222 PolarHBondContact O-N 3.07Å; P219-F222 VanDerWaalsContact O-N 3.09Å; P219-E255 WeakPolarHBondContact CA-OE1 3.12Å
220I97.2Very high87.4Confident0 Ų045.3 Ų45.30%022%0.224CC..Hα-helixtrans-60.2-38177.3-57172.5000109.9F189 I192 K193 L196 F222 V223 R224 M248 I251 E255F189-I220 HydrophobicContact CB-CD1 4.26Å; F189-I220 HydrophobicContact CD1-CD1 3.57Å; F189-I220 HydrophobicContact CE1-CD1 4.33Å; F189-I220 HydrophobicContact CG-CD1 4.27Å; I192-I220 HydrophobicContact CB-CD1 3.99Å; I192-I220 HydrophobicContact CG2-CD1 3.84Å; I192-I220 HydrophobicContact CG2-CG1 4.35Å; I192-I220 HydrophobicContact CG2-CG2 3.7Å; K193-I220 HydrophobicContact CD-CG1 4.43Å; K193-I220 HydrophobicContact CG-CD1 4.17Å; K193-I220 HydrophobicContact CG-CG1 3.71Å; L196-I220 HydrophobicContact CD1-CG2 3.75Å; I220-F222 PolarHBondContact O-N 2.97Å; I220-F222 VanDerWaalsContact O-N 3.17Å; I220-V223 WeakPolarHBondContact O-CB 3.16Å; I220-V223 PolarHBondContact O-N 3.37Å; I220-V223 VanDerWaalsContact O-N 3.1Å; I220-R224 PolarHBondContact O-N 3.23Å; I220-M248 HydrophobicContact CG2-CE 4.32Å; I220-I251 HydrophobicContact CD1-CG2 3.82Å; I220-E255 WeakPolarHBondContact CA-OE2 3.33Å; I220-E255 VanDerWaalsContact CB-OE2 3.27Å; I220-E255 WeakPolarHBondContact CB-OE2 3.39Å; I220-E255 VanDerWaalsContact N-CD 3.28Å; I220-E255 PolarHBondContact N-OE1 3.4Å; I220-E255 PolarHBondContact N-OE2 2.86Å
221Y97.3Very high88.4Confident16 Ų1644.4 Ų44.46%0.06322%0.219CC..Hα-helixtrans-64.3-18.1178.876.3-102.7000113.7F23 P219 R224 D225 C252 E255 L256 E259 W319F23-Y221 HydrophobicContact CE2-CD2 4.1Å; F23-Y221 AromaticContact CE2-CE2 3.75Å; F23-Y221 HydrophobicContact CE2-CE2 3.75Å; F23-Y221 HydrophobicContact CZ-CE2 4.02Å; P219-Y221 HydrophobicContact CB-CD1 3.57Å; P219-Y221 HydrophobicContact CB-CE1 3.41Å; P219-Y221 VanDerWaalsContact CB-CE1 3.41Å; P219-Y221 HydrophobicContact CB-CG 4.26Å; P219-Y221 HydrophobicContact CG-CE1 3.98Å; P219-Y221 PolarHBondContact O-N 2.76Å; Y221-R224 PolarHBondContact O-N 2.75Å; Y221-D225 VanDerWaalsContact O-CB 3.27Å; Y221-D225 WeakPolarHBondContact O-CB 3.3Å; Y221-D225 PolarHBondContact O-N 2.94Å; Y221-C252 VanDerWaalsContact CA-SG 3.51Å; Y221-E255 HydrophobicContact CD1-CB 4.27Å; Y221-E255 HydrophobicContact CD1-CG 4.19Å; Y221-E255 VanDerWaalsContact CD1-OE2 3.3Å; Y221-E255 WeakPolarHBondContact CD1-OE2 3.43Å; Y221-E255 PolarHBondContact N-OE2 3Å; Y221-L256 HydrophobicContact CE1-CD1 4.33Å; Y221-E259 WeakPolarHBondContact CE1-OE2 3.4Å; Y221-E259 PolarHBondContact OH-OE1 3.19Å; Y221-E259 PolarHBondContact OH-OE2 3.12Å; Y221-W319 HydrophobicContact CD2-CH2 4.17Å; Y221-W319 HydrophobicContact CG-CH2 4.15Å; Y221-W319 HydrophobicContact CG-CZ3 4.3Å
222F96.8Very high90Very high0 Ų042.4 Ų42.40%021%0.205CC..Hα-helixtrans-67.7-44.3172.7-74.722.4000110.7F23 V25 D207 E210 R212 C218 P219 I220 D225 D226F23-F222 HydrophobicContact CB-CB 3.97Å; F23-F222 HydrophobicContact CB-CD2 4.12Å; F23-F222 HydrophobicContact CB-CG 4.08Å; F23-F222 HydrophobicContact CD1-CD1 4.02Å; F23-F222 AromaticContact CD1-CD2 3.61Å; F23-F222 HydrophobicContact CD1-CD2 3.61Å; F23-F222 AromaticContact CD1-CE1 3.86Å; F23-F222 HydrophobicContact CD1-CE1 3.86Å; F23-F222 AromaticContact CD1-CE2 3.45Å; F23-F222 HydrophobicContact CD1-CE2 3.45Å; F23-F222 VanDerWaalsContact CD1-CE2 3.45Å; F23-F222 AromaticContact CD1-CG 3.87Å; F23-F222 HydrophobicContact CD1-CG 3.87Å; F23-F222 AromaticContact CD1-CZ 3.56Å; F23-F222 HydrophobicContact CD1-CZ 3.56Å; F23-F222 HydrophobicContact CD2-CB 4.01Å; F23-F222 AromaticContact CD2-CD1 3.61Å; F23-F222 HydrophobicContact CD2-CD1 3.61Å; F23-F222 HydrophobicContact CD2-CD2 4.34Å; F23-F222 HydrophobicContact CD2-CE1 4.05Å; F23-F222 AromaticContact CD2-CG 3.75Å; F23-F222 HydrophobicContact CD2-CG 3.75Å; F23-F222 AromaticContact CE1-CD1 3.94Å; F23-F222 HydrophobicContact CE1-CD1 3.94Å; F23-F222 HydrophobicContact CE1-CD2 4.11Å; F23-F222 AromaticContact CE1-CE1 3.38Å; F23-F222 HydrophobicContact CE1-CE1 3.38Å; F23-F222 AromaticContact CE1-CE2 3.59Å; F23-F222 HydrophobicContact CE1-CE2 3.59Å; F23-F222 HydrophobicContact CE1-CG 4.25Å; F23-F222 AromaticContact CE1-CZ 3.16Å; F23-F222 HydrophobicContact CE1-CZ 3.16Å; F23-F222 AromaticContact CE2-CD1 3.51Å; F23-F222 HydrophobicContact CE2-CD1 3.51Å; F23-F222 AromaticContact CE2-CE1 3.58Å; F23-F222 HydrophobicContact CE2-CE1 3.58Å; F23-F222 HydrophobicContact CE2-CG 4.13Å; F23-F222 HydrophobicContact CE2-CZ 4.24Å; F23-F222 HydrophobicContact CG-CB 3.95Å; F23-F222 AromaticContact CG-CD1 3.86Å; F23-F222 HydrophobicContact CG-CD1 3.86Å; F23-F222 AromaticContact CG-CD2 3.74Å; F23-F222 HydrophobicContact CG-CD2 3.74Å; F23-F222 HydrophobicContact CG-CE1 4.17Å; F23-F222 HydrophobicContact CG-CE2 4.07Å; F23-F222 AromaticContact CG-CG 3.59Å; F23-F222 HydrophobicContact CG-CG 3.59Å; F23-F222 HydrophobicContact CG-CZ 4.25Å; F23-F222 AromaticContact CZ-CD1 3.68Å; F23-F222 HydrophobicContact CZ-CD1 3.68Å; F23-F222 AromaticContact CZ-CE1 3.21Å; F23-F222 HydrophobicContact CZ-CE1 3.21Å; F23-F222 HydrophobicContact CZ-CE2 4.3Å; F23-F222 HydrophobicContact CZ-CG 4.36Å; F23-F222 AromaticContact CZ-CZ 3.55Å; F23-F222 HydrophobicContact CZ-CZ 3.55Å; V25-F222 HydrophobicContact CG2-CB 4.21Å; D207-F222 HydrophobicContact CB-CD2 3.71Å; D207-F222 HydrophobicContact CB-CE2 4.12Å; E210-F222 HydrophobicContact CG-CE2 4.37Å; R212-F222 VanDerWaalsContact CZ-CZ 3.49Å; C218-F222 HydrophobicContact CB-CB 4.41Å; C218-F222 HydrophobicContact CB-CD2 3.67Å; C218-F222 HydrophobicContact CB-CE2 4.33Å; C218-F222 HydrophobicContact CB-CG 4.24Å; P219-F222 HydrophobicContact CB-CD1 3.77Å; P219-F222 HydrophobicContact CB-CE1 4.1Å; P219-F222 HydrophobicContact CB-CG 4.32Å; P219-F222 HydrophobicContact CG-CD1 3.86Å; P219-F222 HydrophobicContact CG-CE1 3.71Å; P219-F222 HydrophobicContact CG-CG 4.38Å; P219-F222 HydrophobicContact CG-CZ 4.12Å; P219-F222 VanDerWaalsContact O-CB 3.31Å; P219-F222 WeakPolarHBondContact O-CB 3.45Å; P219-F222 PolarHBondContact O-N 3.07Å; P219-F222 VanDerWaalsContact O-N 3.09Å; I220-F222 PolarHBondContact O-N 2.97Å; I220-F222 VanDerWaalsContact O-N 3.17Å; F222-D225 WeakPolarHBondContact O-CB 3.38Å; F222-D225 PolarHBondContact O-N 3.01Å; F222-D226 PolarHBondContact O-N 3.48Å; F222-D226 VanDerWaalsContact O-N 3.11Å
223V98Very high91.8Very high0 Ų039.2 Ų39.20%020%0.201CC..Hα-helixtrans-64.9-44174.6-169.10000110V25 L196 L200 L205 I220 D225 Y227 M248V25-V223 HydrophobicContact CG1-CG2 4.17Å; V25-V223 HydrophobicContact CG2-CG2 4.26Å; L196-V223 HydrophobicContact CD1-CB 4.11Å; L196-V223 HydrophobicContact CD1-CG1 4.27Å; L196-V223 HydrophobicContact CD1-CG2 4.09Å; L196-V223 HydrophobicContact CD2-CG1 4.11Å; L200-V223 HydrophobicContact CD1-CG1 3.91Å; L205-V223 HydrophobicContact CD1-CG2 4.14Å; L205-V223 HydrophobicContact CD2-CG2 4.26Å; I220-V223 WeakPolarHBondContact O-CB 3.16Å; I220-V223 PolarHBondContact O-N 3.37Å; I220-V223 VanDerWaalsContact O-N 3.1Å; V223-D225 PolarHBondContact O-N 3.16Å; V223-Y227 HydrophobicContact CG1-CD2 3.81Å; V223-Y227 HydrophobicContact CG1-CE2 4.04Å; V223-Y227 WeakPolarHBondContact O-CD2 3.49Å; V223-Y227 PolarHBondContact O-N 2.99Å; V223-Y227 VanDerWaalsContact O-N 3.16Å; V223-M248 HydrophobicContact CB-CE 4.36Å; V223-M248 HydrophobicContact CG1-CE 4.46Å
224R98.1Very high93.7Very high4 Ų438.7 Ų38.72%0.01521%0.208CC..Hα-helixtrans-54.9-46.4174-173.4-173.7164-79.3-1.4110.5I220 Y221 L228 M248 H249I220-R224 PolarHBondContact O-N 3.23Å; Y221-R224 PolarHBondContact O-N 2.75Å; R224-L228 WeakPolarHBondContact O-CA 3.36Å; R224-L228 WeakPolarHBondContact O-CB 3.45Å; R224-L228 PolarHBondContact O-N 3.14Å; R224-M248 HydrophobicContact CB-CE 3.8Å; R224-M248 HydrophobicContact CG-CE 4.49Å; R224-H249 PolarHBondContact NE-ND1 3.42Å; R224-H249 VanDerWaalsContact NE-ND1 3.12Å
225D98.2Very high95.4Very high6 Ų635.9 Ų35.93%0.03219%0.187CC..Hα-helixtrans-62.3-50.3-174.9-166.262000113.2R19 L22 F23 Y221 F222 V223 A229R19-D225 IonicContact CZ-OD1 3.34Å; R19-D225 IonicContact CZ-OD2 3.16Å; R19-D225 IonicContact NH1-OD1 3.68Å; R19-D225 PolarHBondContact NH1-OD1 3.44Å; R19-D225 IonicContact NH1-OD2 3.47Å; R19-D225 PolarHBondContact NH1-OD2 3.04Å; R19-D225 IonicContact NH2-OD1 3.82Å; R19-D225 PolarHBondContact NH2-OD1 3.34Å; R19-D225 IonicContact NH2-OD2 2.67Å; R19-D225 PolarHBondContact NH2-OD2 2.95Å; L22-D225 PolarHBondContact N-OD2 3.07Å; F23-D225 HydrophobicContact CD2-CB 3.77Å; F23-D225 HydrophobicContact CE2-CB 4.43Å; Y221-D225 VanDerWaalsContact O-CB 3.27Å; Y221-D225 WeakPolarHBondContact O-CB 3.3Å; Y221-D225 PolarHBondContact O-N 2.94Å; F222-D225 WeakPolarHBondContact O-CB 3.38Å; F222-D225 PolarHBondContact O-N 3.01Å; V223-D225 PolarHBondContact O-N 3.16Å; D225-A229 VanDerWaalsContact O-CB 3.3Å; D225-A229 WeakPolarHBondContact O-CB 3.35Å; D225-A229 PolarHBondContact O-N 3.44Å
226D98.1Very high96.3Very high0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-59-59.2179.6-171.8-4.7000110.6P21 H24 V25 F222 L228 A229 R230P21-D226 HydrophobicContact CB-CB 4.33Å; H24-D226 IonicContact CD2-OD2 3.51Å; V25-D226 PolarHBondContact N-OD2 2.94Å; F222-D226 PolarHBondContact O-N 3.48Å; F222-D226 VanDerWaalsContact O-N 3.11Å; D226-L228 PolarHBondContact O-N 3.08Å; D226-A229 WeakPolarHBondContact O-CB 3.2Å; D226-A229 PolarHBondContact O-N 3.43Å; D226-R230 WeakPolarHBondContact O-CG 3.33Å; D226-R230 PolarHBondContact O-N 3.37Å; D226-R230 IonicContact OD1-CZ 3.85Å; D226-R230 IonicContact OD1-NE 2.74Å; D226-R230 PolarHBondContact OD1-NE 3.16Å; D226-R230 IonicContact OD1-NH2 3.4Å; D226-R230 PolarHBondContact OD1-NH2 3.12Å; D226-R230 IonicContact OD2-CZ 3.57Å; D226-R230 IonicContact OD2-NE 3.24Å; D226-R230 IonicContact OD2-NH2 2.76Å; D226-R230 PolarHBondContact OD2-NH2 3.43Å
227Y98.3Very high96.9Very high1 Ų127 Ų270%0.00416%0.157CC..Hα-helixtrans-74.7-26.7-172.2-69.5-95.2000113.2V25 L200 V223 R230 K231 I237 P238 L241V25-Y227 HydrophobicContact CB-CE2 4.44Å; V25-Y227 PolarHBondContact O-OH 3.21Å; L200-Y227 HydrophobicContact CD1-CE2 4.19Å; L200-Y227 HydrophobicContact CD2-CE1 3.96Å; L200-Y227 HydrophobicContact CD2-CE2 4.03Å; L200-Y227 WeakPolarHBondContact CD2-OH 3.19Å; V223-Y227 HydrophobicContact CG1-CD2 3.81Å; V223-Y227 HydrophobicContact CG1-CE2 4.04Å; V223-Y227 WeakPolarHBondContact O-CD2 3.49Å; V223-Y227 PolarHBondContact O-N 2.99Å; V223-Y227 VanDerWaalsContact O-N 3.16Å; Y227-R230 PolarHBondContact O-N 3.11Å; Y227-K231 WeakPolarHBondContact O-CB 3.43Å; Y227-K231 PolarHBondContact O-N 2.98Å; Y227-I237 HydrophobicContact CD1-CB 4.16Å; Y227-I237 HydrophobicContact CD1-CG2 3.93Å; Y227-P238 HydrophobicContact CE1-CG 4.36Å; Y227-L241 VanDerWaalsContact CB-CD2 3.47Å; Y227-L241 HydrophobicContact CD1-CD2 3.4Å; Y227-L241 VanDerWaalsContact CD1-CD2 3.4Å; Y227-L241 HydrophobicContact CD2-CD2 3.81Å; Y227-L241 HydrophobicContact CE1-CD2 4.07Å; Y227-L241 HydrophobicContact CE2-CD2 4.44Å; Y227-L241 HydrophobicContact CG-CD2 3.25Å
228L98.1Very high97.2Very high10 Ų1025.3 Ų25.35%0.05215%0.147CC..Hα-helixtrans-68.1-42.4169.9-172.566.7000110.9R224 D226 R230 K231 Y232 L245R224-L228 WeakPolarHBondContact O-CA 3.36Å; R224-L228 WeakPolarHBondContact O-CB 3.45Å; R224-L228 PolarHBondContact O-N 3.14Å; D226-L228 PolarHBondContact O-N 3.08Å; L228-R230 VanDerWaalsContact C-N 3.33Å; L228-R230 PolarHBondContact O-N 3.1Å; L228-K231 PolarHBondContact O-N 3.37Å; L228-Y232 HydrophobicContact CD1-CD2 3.93Å; L228-Y232 HydrophobicContact CD1-CE2 3.73Å; L228-Y232 HydrophobicContact CG-CD2 4.03Å; L228-Y232 HydrophobicContact CG-CE2 4.07Å; L228-Y232 WeakPolarHBondContact O-CD2 3.3Å; L228-Y232 PolarHBondContact O-N 3.04Å; L228-L245 HydrophobicContact CD1-CD1 4.44Å
229A98.6Very high97.4Very high2 Ų230.2 Ų30.22%0.01717%0.173CC..Hα-helixtrans-60-45.8174.300000110.7R19 P21 W35 D225 D226 K231 Y232 A233R19-A229 WeakPolarHBondContact O-CB 3.41Å; P21-A229 HydrophobicContact CB-CB 3.88Å; P21-A229 HydrophobicContact CG-CB 4.41Å; W35-A229 HydrophobicContact CH2-CB 3.93Å; W35-A229 WeakPolarHBondContact CH2-O 3.42Å; W35-A229 HydrophobicContact CZ2-CB 4.21Å; D225-A229 VanDerWaalsContact O-CB 3.3Å; D225-A229 WeakPolarHBondContact O-CB 3.35Å; D225-A229 PolarHBondContact O-N 3.44Å; D226-A229 WeakPolarHBondContact O-CB 3.2Å; D226-A229 PolarHBondContact O-N 3.43Å; A229-K231 PolarHBondContact O-N 2.78Å; A229-Y232 PolarHBondContact O-N 3.41Å; A229-A233 WeakPolarHBondContact O-CB 3.37Å; A229-A233 PolarHBondContact O-N 3.42Å
230R98Very high97.5Very high4 Ų434.2 Ų34.22%0.01519%0.19CC..Hα-helixtrans-53.3-51.8175.5-70.4-178.6-162.1-148.85.6111.6P31 E32 A33 W35 D226 Y227 L228 Y232 A233 G234 F235 I237P31-R230 PolarHBondContact O-NH1 3.3Å; E32-R230 IonicContact OE2-NH1 2.82Å; E32-R230 IonicContact OE2-NH2 2.88Å; A33-R230 HydrophobicContact CB-CG 3.76Å; W35-R230 HydrophobicContact CZ2-CB 4.47Å; W35-R230 HydrophobicContact CZ2-CG 3.82Å; D226-R230 WeakPolarHBondContact O-CG 3.33Å; D226-R230 PolarHBondContact O-N 3.37Å; D226-R230 IonicContact OD1-CZ 3.85Å; D226-R230 IonicContact OD1-NE 2.74Å; D226-R230 PolarHBondContact OD1-NE 3.16Å; D226-R230 IonicContact OD1-NH2 3.4Å; D226-R230 PolarHBondContact OD1-NH2 3.12Å; D226-R230 IonicContact OD2-CZ 3.57Å; D226-R230 IonicContact OD2-NE 3.24Å; D226-R230 IonicContact OD2-NH2 2.76Å; D226-R230 PolarHBondContact OD2-NH2 3.43Å; Y227-R230 PolarHBondContact O-N 3.11Å; L228-R230 VanDerWaalsContact C-N 3.33Å; L228-R230 PolarHBondContact O-N 3.1Å; R230-Y232 PolarHBondContact O-N 3.34Å; R230-A233 CarbonylContact O-C 3.01Å; R230-A233 PolarHBondContact O-N 3Å; R230-A233 VanDerWaalsContact O-N 3.13Å; R230-G234 PolarHBondContact O-N 2.82Å; R230-G234 VanDerWaalsContact O-N 3.12Å; R230-F235 HydrophobicContact CB-CB 3.98Å; R230-F235 HydrophobicContact CG-CB 4.48Å; R230-F235 PolarHBondContact O-N 3.23Å; R230-I237 HydrophobicContact CB-CG2 3.72Å
231K97.2Very high97.6Very high83 Ų8334.2 Ų34.236%0.36119%0.19SC..Hα-helixtrans-57.4-46.5178.6-176.4176.8-177.4170.40112.2Y227 L228 A229 A233 G234 I237 E242 L245Y227-K231 WeakPolarHBondContact O-CB 3.43Å; Y227-K231 PolarHBondContact O-N 2.98Å; L228-K231 PolarHBondContact O-N 3.37Å; A229-K231 PolarHBondContact O-N 2.78Å; K231-A233 VanDerWaalsContact C-N 3.27Å; K231-A233 PolarHBondContact O-N 3.24Å; K231-G234 PolarHBondContact O-N 2.95Å; K231-G234 VanDerWaalsContact O-N 3.12Å; K231-I237 HydrophobicContact CB-CD1 4.14Å; K231-I237 HydrophobicContact CD-CD1 4.11Å; K231-I237 HydrophobicContact CG-CD1 4.44Å; K231-E242 WeakPolarHBondContact CE-OE1 3.45Å; K231-E242 IonicContact NZ-OE1 3.19Å; K231-E242 PolarHBondContact NZ-OE1 2.95Å; K231-L245 HydrophobicContact CD-CD1 3.82Å
232Y97.2Very high97.6Very high115 Ų11537.2 Ų37.245%0.45121%0.205SC..Hα-helixtrans-65.9-28.9178.8-93-101.8000113.2A18 L228 A229 R230 G234 F322A18-Y232 HydrophobicContact CB-CD1 4.1Å; L228-Y232 HydrophobicContact CD1-CD2 3.93Å; L228-Y232 HydrophobicContact CD1-CE2 3.73Å; L228-Y232 HydrophobicContact CG-CD2 4.03Å; L228-Y232 HydrophobicContact CG-CE2 4.07Å; L228-Y232 WeakPolarHBondContact O-CD2 3.3Å; L228-Y232 PolarHBondContact O-N 3.04Å; A229-Y232 PolarHBondContact O-N 3.41Å; R230-Y232 PolarHBondContact O-N 3.34Å; Y232-G234 VanDerWaalsContact C-N 3.31Å; Y232-F322 AromaticContact CD1-CD2 3.93Å; Y232-F322 HydrophobicContact CD1-CD2 3.93Å; Y232-F322 HydrophobicContact CD1-CE2 4.41Å; Y232-F322 HydrophobicContact CD2-CD2 4.3Å; Y232-F322 HydrophobicContact CD2-CE2 4.19Å; Y232-F322 AromaticContact CE1-CD2 3.91Å; Y232-F322 HydrophobicContact CE1-CD2 3.91Å; Y232-F322 HydrophobicContact CE2-CD2 4.29Å; Y232-F322 HydrophobicContact CE2-CE2 4.48Å; Y232-F322 HydrophobicContact CG-CD2 4.12Å; Y232-F322 HydrophobicContact CG-CE2 4.15Å
233A97.3Very high97.6Very high37 Ų3743.9 Ų43.931%0.30623%0.234SC..THydrogen-bonded Turntrans-86.50.8175.300000113.6W35 A229 R230 K231 F235W35-A233 HydrophobicContact CH2-CB 3.71Å; W35-A233 HydrophobicContact CZ3-CB 3.55Å; A229-A233 WeakPolarHBondContact O-CB 3.37Å; A229-A233 PolarHBondContact O-N 3.42Å; R230-A233 CarbonylContact O-C 3.01Å; R230-A233 PolarHBondContact O-N 3Å; R230-A233 VanDerWaalsContact O-N 3.13Å; K231-A233 VanDerWaalsContact C-N 3.27Å; K231-A233 PolarHBondContact O-N 3.24Å; A233-F235 HydrophobicContact CB-CD2 3.71Å; A233-F235 HydrophobicContact CB-CE2 3.78Å
234G96.4Very high97.6Very high66 Ų6644.6 Ų44.668%0.6824%0.237SC*.THydrogen-bonded Turntrans80.712.3178.800000114.8R230 K231 Y232R230-G234 PolarHBondContact O-N 2.82Å; R230-G234 VanDerWaalsContact O-N 3.12Å; K231-G234 PolarHBondContact O-N 2.95Å; K231-G234 VanDerWaalsContact O-N 3.12Å; Y232-G234 VanDerWaalsContact C-N 3.31Å
235F97.5Very high97.5Very high45 Ų4544.6 Ų44.620%0.19724%0.238CC..  trans-76.6147171.5-65.3-70.5000110.9A33 L34 W35 I39 R230 A233A33-F235 HydrophobicContact CB-CB 4.17Å; A33-F235 HydrophobicContact CB-CD1 4.04Å; A33-F235 HydrophobicContact CB-CD2 3.83Å; A33-F235 HydrophobicContact CB-CE1 4.39Å; A33-F235 HydrophobicContact CB-CE2 4.19Å; A33-F235 HydrophobicContact CB-CG 3.75Å; A33-F235 HydrophobicContact CB-CZ 4.46Å; L34-F235 WeakPolarHBondContact O-CZ 3.26Å; W35-F235 HydrophobicContact CD2-CE2 4.04Å; W35-F235 AromaticContact CE3-CE2 3.83Å; W35-F235 HydrophobicContact CE3-CE2 3.83Å; W35-F235 HydrophobicContact CH2-CD2 4.09Å; W35-F235 HydrophobicContact CH2-CE2 4.05Å; W35-F235 HydrophobicContact CZ2-CD2 4.16Å; W35-F235 HydrophobicContact CZ2-CE2 4.22Å; W35-F235 HydrophobicContact CZ3-CD2 4.34Å; W35-F235 AromaticContact CZ3-CE2 3.85Å; W35-F235 HydrophobicContact CZ3-CE2 3.85Å; I39-F235 HydrophobicContact CD1-CE2 4.03Å; I39-F235 HydrophobicContact CD1-CZ 3.74Å; R230-F235 HydrophobicContact CB-CB 3.98Å; R230-F235 HydrophobicContact CG-CB 4.48Å; R230-F235 PolarHBondContact O-N 3.23Å; A233-F235 HydrophobicContact CB-CD2 3.71Å; A233-F235 HydrophobicContact CB-CE2 3.78Å
236P95.6Very high97.4Very high95 Ų9548.3 Ų48.362%0.61726%0.262SS*.  trans-65.4143174.928.7-34.7000110.8P31P31-P236 HydrophobicContact CG-CG 4.48Å
237I97.5Very high97.4Very high15 Ų1552.2 Ų52.28%0.07728%0.28CS..  trans-127.5160.1170.663.8164.5000109.4Y227 R230 K231 N239 E242 L245Y227-I237 HydrophobicContact CD1-CB 4.16Å; Y227-I237 HydrophobicContact CD1-CG2 3.93Å; R230-I237 HydrophobicContact CB-CG2 3.72Å; K231-I237 HydrophobicContact CB-CD1 4.14Å; K231-I237 HydrophobicContact CD-CD1 4.11Å; K231-I237 HydrophobicContact CG-CD1 4.44Å; I237-N239 PolarHBondContact O-N 3.16Å; I237-E242 HydrophobicContact CD1-CB 3.74Å; I237-E242 HydrophobicContact CD1-CG 4.19Å; I237-E242 HydrophobicContact CG1-CB 4.19Å; I237-L245 HydrophobicContact CD1-CD1 4.1Å
238P97.6Very high97.3Very high3 Ų352.2 Ų52.22%0.01928%0.281CS..  trans-56.4130.5175.4-21.130000111.5F30 I199 L200 Y227 E240 L241 E242F30-P238 HydrophobicContact CD1-CB 4.38Å; F30-P238 HydrophobicContact CD1-CG 3.9Å; F30-P238 HydrophobicContact CD2-CB 4.19Å; F30-P238 HydrophobicContact CD2-CG 3.57Å; F30-P238 HydrophobicContact CE1-CB 3.83Å; F30-P238 HydrophobicContact CE1-CG 3.86Å; F30-P238 HydrophobicContact CE2-CB 3.62Å; F30-P238 HydrophobicContact CE2-CG 3.54Å; F30-P238 HydrophobicContact CG-CG 3.77Å; F30-P238 HydrophobicContact CZ-CB 3.42Å; F30-P238 VanDerWaalsContact CZ-CB 3.42Å; F30-P238 HydrophobicContact CZ-CG 3.7Å; I199-P238 HydrophobicContact CG2-CB 3.68Å; I199-P238 HydrophobicContact CG2-CG 4.14Å; L200-P238 HydrophobicContact CD2-CG 4.19Å; Y227-P238 HydrophobicContact CE1-CG 4.36Å; P238-E240 VanDerWaalsContact C-N 3.25Å; P238-E240 PolarHBondContact O-N 3.23Å; P238-L241 HydrophobicContact CB-CB 3.83Å; P238-L241 HydrophobicContact CG-CB 4.12Å; P238-L241 HydrophobicContact CG-CD2 4.35Å; P238-L241 WeakPolarHBondContact O-CA 3.15Å; P238-L241 WeakPolarHBondContact O-CB 3.47Å; P238-L241 PolarHBondContact O-N 3.3Å; P238-E242 PolarHBondContact O-N 3.43Å
239N97.1Very high97.3Very high114 Ų11453.8 Ų53.861%0.6129%0.288SS*.Hα-helixtrans-57.3-39.1-179.8-70.3-9.3000112.4I237 L241 E242 K243I237-N239 PolarHBondContact O-N 3.16Å; N239-L241 VanDerWaalsContact C-N 3.34Å; N239-E242 PolarHBondContact O-N 3.12Å; N239-K243 WeakPolarHBondContact O-CG 3.27Å; N239-K243 PolarHBondContact O-N 3.36Å; N239-K243 VanDerWaalsContact O-N 3.08Å
240E97.9Very high97.3Very high103 Ų10359.7 Ų59.748%0.48131%0.313SS..Hα-helixtrans-68.4-34.2177-60.3-48.6124.600112I199 P238 K243 L244I199-E240 HydrophobicContact CD1-CB 4.13Å; I199-E240 HydrophobicContact CG1-CB 3.99Å; I199-E240 HydrophobicContact CG2-CB 4.42Å; P238-E240 VanDerWaalsContact C-N 3.25Å; P238-E240 PolarHBondContact O-N 3.23Å; E240-K243 PolarHBondContact O-N 3.23Å; E240-K243 IonicContact OE1-NZ 2.82Å; E240-K243 PolarHBondContact OE1-NZ 3.39Å; E240-K243 IonicContact OE2-NZ 3.45Å; E240-K243 PolarHBondContact OE2-NZ 3.41Å; E240-L244 WeakPolarHBondContact O-CB 3.38Å; E240-L244 PolarHBondContact O-N 3Å; E240-L244 VanDerWaalsContact O-N 3.14Å
241L98Very high97.3Very high0 Ų060 Ų600%032%0.315CS..Hα-helixtrans-66.9-40.9172.5-173.560.4000111.1L196 I199 L200 Y227 P238 N239 K243 L244 L245 M248L196-L241 HydrophobicContact CD2-CD1 3.31Å; I199-L241 HydrophobicContact CG2-CB 3.9Å; L200-L241 HydrophobicContact CD2-CD2 4.45Å; Y227-L241 VanDerWaalsContact CB-CD2 3.47Å; Y227-L241 HydrophobicContact CD1-CD2 3.4Å; Y227-L241 VanDerWaalsContact CD1-CD2 3.4Å; Y227-L241 HydrophobicContact CD2-CD2 3.81Å; Y227-L241 HydrophobicContact CE1-CD2 4.07Å; Y227-L241 HydrophobicContact CE2-CD2 4.44Å; Y227-L241 HydrophobicContact CG-CD2 3.25Å; P238-L241 HydrophobicContact CB-CB 3.83Å; P238-L241 HydrophobicContact CG-CB 4.12Å; P238-L241 HydrophobicContact CG-CD2 4.35Å; P238-L241 WeakPolarHBondContact O-CA 3.15Å; P238-L241 WeakPolarHBondContact O-CB 3.47Å; P238-L241 PolarHBondContact O-N 3.3Å; N239-L241 VanDerWaalsContact C-N 3.34Å; L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 3.18Å; L241-L244 WeakPolarHBondContact O-CB 3.41Å; L241-L244 PolarHBondContact O-N 3Å; L241-L245 PolarHBondContact O-N 3.42Å; L241-L245 VanDerWaalsContact O-N 3.09Å; L241-M248 HydrophobicContact CD1-CE 4.2Å; L241-M248 HydrophobicContact CD1-SD 3.63Å
242E97.7Very high97.4Very high79 Ų7956.1 Ų56.137%0.36930%0.298SS..Hα-helixtrans-59.7-43.1177.3-175.6168.4-17100111.9K231 I237 P238 N239 L244 L245K231-E242 WeakPolarHBondContact CE-OE1 3.45Å; K231-E242 IonicContact NZ-OE1 3.19Å; K231-E242 PolarHBondContact NZ-OE1 2.95Å; I237-E242 HydrophobicContact CD1-CB 3.74Å; I237-E242 HydrophobicContact CD1-CG 4.19Å; I237-E242 HydrophobicContact CG1-CB 4.19Å; P238-E242 PolarHBondContact O-N 3.43Å; N239-E242 PolarHBondContact O-N 3.12Å; E242-L244 PolarHBondContact O-N 2.8Å; E242-L245 HydrophobicContact CG-CD1 4.48Å; E242-L245 WeakPolarHBondContact O-CB 3.19Å; E242-L245 PolarHBondContact O-N 2.82Å
243K98.2Very high97.4Very high139 Ų13950.7 Ų50.760%0.60428%0.277SS*.Hα-helixtrans-63.8-30174.4-67.9170-171.6168.40112.6N239 E240 L241 P246N239-K243 WeakPolarHBondContact O-CG 3.27Å; N239-K243 PolarHBondContact O-N 3.36Å; N239-K243 VanDerWaalsContact O-N 3.08Å; E240-K243 PolarHBondContact O-N 3.23Å; E240-K243 IonicContact OE1-NZ 2.82Å; E240-K243 PolarHBondContact OE1-NZ 3.39Å; E240-K243 IonicContact OE2-NZ 3.45Å; E240-K243 PolarHBondContact OE2-NZ 3.41Å; L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 3.18Å; K243-P246 WeakPolarHBondContact O-CD 3.48Å
244L97.7Very high97.5Very high15 Ų1551.6 Ų51.68%0.07928%0.275CS..Hα-helixtrans-79.9-18.6179.8-16665.5000113I192 L196 I199 E240 L241 E242 P246 E247 M248I192-L244 HydrophobicContact CD1-CD1 4.29Å; L196-L244 HydrophobicContact CD2-CD2 3.8Å; L196-L244 HydrophobicContact CG-CD2 4.35Å; I199-L244 HydrophobicContact CD1-CD2 4.02Å; E240-L244 WeakPolarHBondContact O-CB 3.38Å; E240-L244 PolarHBondContact O-N 3Å; E240-L244 VanDerWaalsContact O-N 3.14Å; L241-L244 WeakPolarHBondContact O-CB 3.41Å; L241-L244 PolarHBondContact O-N 3Å; E242-L244 PolarHBondContact O-N 2.8Å; L244-P246 VanDerWaalsContact C-CD 3.49Å; L244-E247 HydrophobicContact CD1-CB 4.35Å; L244-E247 WeakPolarHBondContact CD1-OE2 3.48Å; L244-E247 WeakPolarHBondContact O-CB 3.45Å; L244-E247 PolarHBondContact O-N 3.18Å; L244-M248 HydrophobicContact CB-SD 4.32Å; L244-M248 HydrophobicContact CD2-CG 4.26Å; L244-M248 HydrophobicContact CD2-SD 4.03Å; L244-M248 HydrophobicContact CG-CG 3.94Å; L244-M248 HydrophobicContact CG-SD 4.05Å; L244-M248 WeakPolarHBondContact O-CG 3.49Å; L244-M248 PolarHBondContact O-N 3.04Å
245L96.3Very high97.6Very high5 Ų549.1 Ų49.13%0.02625%0.245CC..Hα-helixtrans-52.3-43.8-176-75.2175.4000114.9L228 K231 I237 L241 E242 E247 M248 H249L228-L245 HydrophobicContact CD1-CD1 4.44Å; K231-L245 HydrophobicContact CD-CD1 3.82Å; I237-L245 HydrophobicContact CD1-CD1 4.1Å; L241-L245 PolarHBondContact O-N 3.42Å; L241-L245 VanDerWaalsContact O-N 3.09Å; E242-L245 HydrophobicContact CG-CD1 4.48Å; E242-L245 WeakPolarHBondContact O-CB 3.19Å; E242-L245 PolarHBondContact O-N 2.82Å; L245-E247 VanDerWaalsContact C-N 3.3Å; L245-E247 PolarHBondContact O-N 2.96Å; L245-M248 HydrophobicContact CD2-SD 4.38Å; L245-M248 CarbonylContact O-C 3.56Å; L245-M248 PolarHBondContact O-N 3.21Å; L245-H249 PolarHBondContact O-CE1 3.06Å; L245-H249 PolarHBondContact O-N 2.97Å; L245-H249 PolarHBondContact O-ND1 3.28Å
246P95.7Very high97.6Very high84 Ų8447.4 Ų47.455%0.54524%0.238SC..Hα-helixtrans-61.6-36.2178.7-2435.5000113.5K243 L244K243-P246 WeakPolarHBondContact O-CD 3.48Å; L244-P246 VanDerWaalsContact C-CD 3.49Å
247E96.8Very high97.7Very high81 Ų8143.1 Ų43.138%0.37921%0.21SC..Hα-helixtrans-70.7-44.8174.4-173.8177.9-171.900110.3I192 L244 L245 H249 K250 I251I192-E247 HydrophobicContact CD1-CG 4.39Å; L244-E247 HydrophobicContact CD1-CB 4.35Å; L244-E247 WeakPolarHBondContact CD1-OE2 3.48Å; L244-E247 WeakPolarHBondContact O-CB 3.45Å; L244-E247 PolarHBondContact O-N 3.18Å; L245-E247 VanDerWaalsContact C-N 3.3Å; L245-E247 PolarHBondContact O-N 2.96Å; E247-H249 VanDerWaalsContact C-N 3.25Å; E247-H249 PolarHBondContact O-N 3.31Å; E247-K250 PolarHBondContact O-N 3.14Å; E247-I251 HydrophobicContact CG-CD1 3.75Å; E247-I251 PolarHBondContact O-N 3.48Å
248M98Very high97.7Very high1 Ų142.7 Ų42.71%0.00521%0.208CC..Hα-helixtrans-60-33.9175.2-67.4172.872.700112.4L196 I220 V223 R224 L241 L244 L245 K250 I251 C252L196-M248 HydrophobicContact CD1-CE 4.17Å; L196-M248 HydrophobicContact CD2-CE 3.99Å; L196-M248 HydrophobicContact CD2-SD 3.98Å; I220-M248 HydrophobicContact CG2-CE 4.32Å; V223-M248 HydrophobicContact CB-CE 4.36Å; V223-M248 HydrophobicContact CG1-CE 4.46Å; R224-M248 HydrophobicContact CB-CE 3.8Å; R224-M248 HydrophobicContact CG-CE 4.49Å; L241-M248 HydrophobicContact CD1-CE 4.2Å; L241-M248 HydrophobicContact CD1-SD 3.63Å; L244-M248 HydrophobicContact CB-SD 4.32Å; L244-M248 HydrophobicContact CD2-CG 4.26Å; L244-M248 HydrophobicContact CD2-SD 4.03Å; L244-M248 HydrophobicContact CG-CG 3.94Å; L244-M248 HydrophobicContact CG-SD 4.05Å; L244-M248 WeakPolarHBondContact O-CG 3.49Å; L244-M248 PolarHBondContact O-N 3.04Å; L245-M248 HydrophobicContact CD2-SD 4.38Å; L245-M248 CarbonylContact O-C 3.56Å; L245-M248 PolarHBondContact O-N 3.21Å; M248-K250 PolarHBondContact O-N 3.44Å; M248-I251 PolarHBondContact O-N 3.08Å; M248-C252 WeakPolarHBondContact O-CB 3.37Å; M248-C252 PolarHBondContact O-N 2.55Å; M248-C252 PolarHBondContact O-SG 3.29Å
249H97.4Very high97.7Very high44 Ų4444.1 Ų44.120%0.20421%0.214CC..Hα-helixtrans-60.4-29.4176.8-68.2-2.9000112.9R224 L245 E247 S253 I318 W319R224-H249 PolarHBondContact NE-ND1 3.42Å; R224-H249 VanDerWaalsContact NE-ND1 3.12Å; L245-H249 PolarHBondContact O-CE1 3.06Å; L245-H249 PolarHBondContact O-N 2.97Å; L245-H249 PolarHBondContact O-ND1 3.28Å; E247-H249 VanDerWaalsContact C-N 3.25Å; E247-H249 PolarHBondContact O-N 3.31Å; H249-S253 PolarHBondContact O-OG 3.1Å; H249-I318 HydrophobicContact CB-CG2 4.17Å; H249-W319 PolarHBondContact O-N 2.91Å; H249-W319 VanDerWaalsContact O-N 3.14Å
250K98Very high97.7Very high126 Ų12640.1 Ų40.155%0.54819%0.191SC..Hα-helixtrans-84.5-51.3176.4-61.9178.7-179.3-179.30111.5E247 M248 C252 S253 E254 G317 I318E247-K250 PolarHBondContact O-N 3.14Å; M248-K250 PolarHBondContact O-N 3.44Å; K250-C252 PolarHBondContact O-N 2.93Å; K250-S253 WeakPolarHBondContact O-CB 3.48Å; K250-S253 PolarHBondContact O-N 3.43Å; K250-S253 VanDerWaalsContact O-N 3.14Å; K250-E254 PolarHBondContact O-N 3.28Å; K250-G317 WeakPolarHBondContact CA-O 3.41Å; K250-I318 HydrophobicContact CG-CG1 4.41Å
251I98.1Very high97.7Very high11 Ų1135.2 Ų35.26%0.05617%0.168CC..Hα-helixtrans-65.8-39.1-175.8-67175.7000111.4T188 F189 I192 I220 E247 M248 S253 E254 E255T188-I251 HydrophobicContact CG2-CD1 3.88Å; T188-I251 HydrophobicContact CG2-CG1 4.49Å; F189-I251 HydrophobicContact CD1-CG2 4.2Å; F189-I251 HydrophobicContact CE1-CG2 3.96Å; F189-I251 HydrophobicContact CZ-CG2 4.34Å; I192-I251 HydrophobicContact CD1-CD1 3.82Å; I192-I251 HydrophobicContact CG1-CD1 3.45Å; I192-I251 VanDerWaalsContact CG1-CD1 3.45Å; I220-I251 HydrophobicContact CD1-CG2 3.82Å; E247-I251 HydrophobicContact CG-CD1 3.75Å; E247-I251 PolarHBondContact O-N 3.48Å; M248-I251 PolarHBondContact O-N 3.08Å; I251-S253 VanDerWaalsContact C-N 3.33Å; I251-S253 PolarHBondContact O-N 3.21Å; I251-E254 WeakPolarHBondContact O-CB 3.12Å; I251-E254 PolarHBondContact O-N 3.42Å; I251-E255 PolarHBondContact O-N 3.3Å
252C98.6Very high97.7Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-67.6-34.4175.3-65.20000112.1Y221 M248 K250 E254 E255 L256 W319Y221-C252 VanDerWaalsContact CA-SG 3.51Å; M248-C252 WeakPolarHBondContact O-CB 3.37Å; M248-C252 PolarHBondContact O-N 2.55Å; M248-C252 PolarHBondContact O-SG 3.29Å; K250-C252 PolarHBondContact O-N 2.93Å; C252-E254 VanDerWaalsContact C-N 3.32Å; C252-E255 WeakPolarHBondContact O-CB 3.34Å; C252-E255 PolarHBondContact O-N 3.11Å; C252-L256 WeakPolarHBondContact O-CB 2.96Å; C252-L256 PolarHBondContact O-N 3.3Å; C252-W319 HydrophobicContact CB-CE3 3.75Å; C252-W319 HydrophobicContact CB-CZ3 3.78Å; C252-W319 WeakPolarHBondContact O-CZ3 3.31Å
253S98.5Very high97.7Very high1 Ų135.2 Ų35.21%0.00717%0.167CC..Hα-helixtrans-64.5-41172.7-840000111.3H249 K250 I251 L256 L257 W319H249-S253 PolarHBondContact O-OG 3.1Å; K250-S253 WeakPolarHBondContact O-CB 3.48Å; K250-S253 PolarHBondContact O-N 3.43Å; K250-S253 VanDerWaalsContact O-N 3.14Å; I251-S253 VanDerWaalsContact C-N 3.33Å; I251-S253 PolarHBondContact O-N 3.21Å; S253-L256 PolarHBondContact O-N 3.11Å; S253-L257 VanDerWaalsContact O-CG 3.31Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.41Å; S253-W319 WeakPolarHBondContact OG-CA 3.34Å; S253-W319 WeakPolarHBondContact OG-CB 3.46Å; S253-W319 PolarHBondContact OG-N 3.3Å
254E98.3Very high97.7Very high57 Ų5735.9 Ų35.927%0.26617%0.166SC..Hα-helixtrans-62.1-44.4173.2-158178.117400111.9F189 K250 I251 C252 L256 L257 H258 W267F189-E254 HydrophobicContact CZ-CB 4.14Å; F189-E254 HydrophobicContact CZ-CG 4.24Å; K250-E254 PolarHBondContact O-N 3.28Å; I251-E254 WeakPolarHBondContact O-CB 3.12Å; I251-E254 PolarHBondContact O-N 3.42Å; C252-E254 VanDerWaalsContact C-N 3.32Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.29Å; E254-L257 PolarHBondContact O-N 3.28Å; E254-H258 PolarHBondContact O-CD2 3.48Å; E254-H258 PolarHBondContact O-N 3.1Å; E254-W267 HydrophobicContact CG-CH2 3.67Å
255E98.1Very high97.6Very high14 Ų1442.7 Ų42.77%0.06520%0.198CC..Hα-helixtrans-56.8-45.5175-152.4171-150.500111.8F189 P219 I220 Y221 I251 C252 H258 E259F189-E255 HydrophobicContact CD1-CG 4.22Å; F189-E255 HydrophobicContact CE1-CB 3.62Å; F189-E255 HydrophobicContact CE1-CG 3.68Å; F189-E255 HydrophobicContact CZ-CB 4.37Å; P219-E255 WeakPolarHBondContact CA-OE1 3.12Å; I220-E255 WeakPolarHBondContact CA-OE2 3.33Å; I220-E255 VanDerWaalsContact CB-OE2 3.27Å; I220-E255 WeakPolarHBondContact CB-OE2 3.39Å; I220-E255 VanDerWaalsContact N-CD 3.28Å; I220-E255 PolarHBondContact N-OE1 3.4Å; I220-E255 PolarHBondContact N-OE2 2.86Å; Y221-E255 HydrophobicContact CD1-CB 4.27Å; Y221-E255 HydrophobicContact CD1-CG 4.19Å; Y221-E255 VanDerWaalsContact CD1-OE2 3.3Å; Y221-E255 WeakPolarHBondContact CD1-OE2 3.43Å; Y221-E255 PolarHBondContact N-OE2 3Å; I251-E255 PolarHBondContact O-N 3.3Å; C252-E255 WeakPolarHBondContact O-CB 3.34Å; C252-E255 PolarHBondContact O-N 3.11Å; E255-H258 WeakPolarHBondContact O-CB 3.47Å; E255-H258 PolarHBondContact O-N 3.49Å; E255-E259 PolarHBondContact O-N 2.98Å
256L97.7Very high97.5Very high9 Ų945.3 Ų45.35%0.04721%0.212CC..Hα-helixtrans-72.2-32.5-178.5-17069.5000111.9Y221 C252 S253 E254 E259 F260 M306 W319Y221-L256 HydrophobicContact CE1-CD1 4.33Å; C252-L256 WeakPolarHBondContact O-CB 2.96Å; C252-L256 PolarHBondContact O-N 3.3Å; S253-L256 PolarHBondContact O-N 3.11Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.29Å; L256-E259 WeakPolarHBondContact O-CB 3.19Å; L256-E259 PolarHBondContact O-N 3.48Å; L256-F260 HydrophobicContact CD1-CD2 4.01Å; L256-F260 HydrophobicContact CD1-CE2 3.43Å; L256-F260 VanDerWaalsContact CD1-CE2 3.43Å; L256-F260 HydrophobicContact CD1-CZ 4.2Å; L256-F260 HydrophobicContact CD2-CE2 4.2Å; L256-F260 HydrophobicContact CG-CD2 3.91Å; L256-F260 HydrophobicContact CG-CE2 3.68Å; L256-F260 VanDerWaalsContact O-CD2 3.31Å; L256-F260 WeakPolarHBondContact O-CD2 3.09Å; L256-F260 PolarHBondContact O-N 2.81Å; L256-F260 VanDerWaalsContact O-N 3.16Å; L256-M306 HydrophobicContact CB-CE 3.78Å; L256-M306 HydrophobicContact CB-SD 4.49Å; L256-M306 HydrophobicContact CD2-CE 3.47Å; L256-M306 VanDerWaalsContact CD2-CE 3.47Å; L256-M306 HydrophobicContact CD2-SD 4.08Å; L256-M306 HydrophobicContact CG-CE 3.68Å; L256-W319 HydrophobicContact CB-CH2 4.27Å; L256-W319 HydrophobicContact CB-CZ3 3.95Å; L256-W319 HydrophobicContact CD1-CH2 4.46Å; L256-W319 HydrophobicContact CD2-CH2 3.53Å; L256-W319 HydrophobicContact CD2-CZ2 3.95Å; L256-W319 HydrophobicContact CD2-CZ3 3.88Å; L256-W319 HydrophobicContact CG-CH2 4.3Å; L256-W319 HydrophobicContact CG-CZ3 4.44Å
257L98.6Very high97.6Very high5 Ų542 Ų423%0.02619%0.188CC..Hα-helixtrans-65.8-42.1170.7-72.4172000111S253 E254 E259 F260 L261 W267 M306 F310 F315S253-L257 VanDerWaalsContact O-CG 3.31Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.41Å; E254-L257 PolarHBondContact O-N 3.28Å; L257-E259 VanDerWaalsContact C-N 3.29Å; L257-E259 PolarHBondContact O-N 2.95Å; L257-F260 PolarHBondContact O-N 3.31Å; L257-L261 HydrophobicContact CD2-CD1 3.68Å; L257-L261 HydrophobicContact CD2-CG 4.5Å; L257-L261 WeakPolarHBondContact O-CA 3.39Å; L257-L261 WeakPolarHBondContact O-CB 3.44Å; L257-L261 PolarHBondContact O-N 2.77Å; L257-W267 HydrophobicContact CB-CD2 4.25Å; L257-W267 HydrophobicContact CB-CE3 4.29Å; L257-W267 HydrophobicContact CB-CH2 3.87Å; L257-W267 HydrophobicContact CB-CZ2 3.78Å; L257-W267 HydrophobicContact CB-CZ3 4.12Å; L257-W267 HydrophobicContact CD1-CE3 4.17Å; L257-W267 HydrophobicContact CD1-CH2 4.28Å; L257-W267 HydrophobicContact CD1-CZ3 3.85Å; L257-M306 HydrophobicContact CD2-CE 3.78Å; L257-M306 HydrophobicContact CG-CE 3.85Å; L257-F310 HydrophobicContact CD1-CD2 3.86Å; L257-F310 HydrophobicContact CD1-CE2 4.05Å; L257-F310 HydrophobicContact CD2-CB 4.25Å; L257-F310 HydrophobicContact CD2-CD2 4.03Å; L257-F310 HydrophobicContact CD2-CG 3.99Å; L257-F315 HydrophobicContact CD1-CD1 4.26Å; L257-F315 HydrophobicContact CD1-CE1 3.86Å
258H98.4Very high97.4Very high5 Ų545 Ų452%0.02320%0.2CC..Hα-helixtrans-57.9-44171.2-84.9-58.7000111.8G179 E182 C183 E254 E255 F260 G262 W267G179-H258 WeakPolarHBondContact CA-O 3Å; E182-H258 VanDerWaalsContact CD-CE1 3.42Å; E182-H258 IonicContact OE1-CE1 2.58Å; E182-H258 PolarHBondContact OE1-CE1 2.89Å; E182-H258 IonicContact OE2-CE1 3.49Å; C183-H258 VanDerWaalsContact SG-CB 3.5Å; C183-H258 PolarHBondContact SG-CD2 3.08Å; E254-H258 PolarHBondContact O-CD2 3.48Å; E254-H258 PolarHBondContact O-N 3.1Å; E255-H258 WeakPolarHBondContact O-CB 3.47Å; E255-H258 PolarHBondContact O-N 3.49Å; H258-F260 VanDerWaalsContact C-N 3.32Å; H258-F260 PolarHBondContact O-N 3.13Å; H258-G262 PolarHBondContact ND1-O 3.12Å; H258-G262 WeakPolarHBondContact O-CA 3.45Å; H258-G262 PolarHBondContact O-N 3.32Å; H258-W267 HydrophobicContact CB-CZ2 4.39Å; H258-W267 AromaticContact CD2-CZ2 3.62Å; H258-W267 AromaticContact CE1-CZ2 3.49Å; H258-W267 VanDerWaalsContact CE1-CZ2 3.49Å; H258-W267 WeakPolarHBondContact CE1-CZ2 3.45Å; H258-W267 AromaticContact CG-CZ2 3.62Å; H258-W267 AromaticContact ND1-CE2 3.99Å; H258-W267 AromaticContact ND1-CZ2 3.54Å; H258-W267 AromaticContact ND1-NE1 3.83Å; H258-W267 AromaticContact NE2-CZ2 3.55Å
259E96.2Very high97.1Very high33 Ų3350.8 Ų50.815%0.15423%0.225CC..Hα-helixtrans-57.1-42.5179.4-166.6174.5132.600113F176 Y221 E255 L256 L257F176-E259 VanDerWaalsContact CA-O 3.28Å; F176-E259 WeakPolarHBondContact CA-O 3.39Å; F176-E259 HydrophobicContact CD2-CG 3.37Å; F176-E259 HydrophobicContact CE2-CG 3.61Å; Y221-E259 WeakPolarHBondContact CE1-OE2 3.4Å; Y221-E259 PolarHBondContact OH-OE1 3.19Å; Y221-E259 PolarHBondContact OH-OE2 3.12Å; E255-E259 PolarHBondContact O-N 2.98Å; L256-E259 WeakPolarHBondContact O-CB 3.19Å; L256-E259 PolarHBondContact O-N 3.48Å; L257-E259 VanDerWaalsContact C-N 3.29Å; L257-E259 PolarHBondContact O-N 2.95Å
260F97.9Very high97Very high30 Ų3049.1 Ų49.113%0.13222%0.218CC..Hα-helixtrans-96.8-24-175.9-67.8-55.9000114.8P164 L172 L175 L256 L257 H258 L307P164-F260 HydrophobicContact CB-CD1 3.53Å; P164-F260 HydrophobicContact CB-CE1 3.74Å; P164-F260 HydrophobicContact CB-CG 4Å; P164-F260 HydrophobicContact CB-CZ 4.35Å; P164-F260 HydrophobicContact CG-CD1 4.13Å; P164-F260 HydrophobicContact CG-CD2 4.31Å; P164-F260 HydrophobicContact CG-CE1 4.32Å; P164-F260 HydrophobicContact CG-CE2 4.46Å; P164-F260 HydrophobicContact CG-CG 4.13Å; P164-F260 HydrophobicContact CG-CZ 4.49Å; L172-F260 HydrophobicContact CD2-CB 4.37Å; L172-F260 HydrophobicContact CD2-CD1 4.11Å; L172-F260 VanDerWaalsContact CD2-O 3.24Å; L172-F260 WeakPolarHBondContact CD2-O 3.34Å; L175-F260 WeakPolarHBondContact CD1-O 3.43Å; L256-F260 HydrophobicContact CD1-CD2 4.01Å; L256-F260 HydrophobicContact CD1-CE2 3.43Å; L256-F260 VanDerWaalsContact CD1-CE2 3.43Å; L256-F260 HydrophobicContact CD1-CZ 4.2Å; L256-F260 HydrophobicContact CD2-CE2 4.2Å; L256-F260 HydrophobicContact CG-CD2 3.91Å; L256-F260 HydrophobicContact CG-CE2 3.68Å; L256-F260 VanDerWaalsContact O-CD2 3.31Å; L256-F260 WeakPolarHBondContact O-CD2 3.09Å; L256-F260 PolarHBondContact O-N 2.81Å; L256-F260 VanDerWaalsContact O-N 3.16Å; L257-F260 PolarHBondContact O-N 3.31Å; H258-F260 VanDerWaalsContact C-N 3.32Å; H258-F260 PolarHBondContact O-N 3.13Å; F260-L307 HydrophobicContact CB-CD2 4.07Å; F260-L307 HydrophobicContact CD2-CD1 3.92Å
261L98Very high96.8Very high0 Ų043.2 Ų43.20%019%0.192CC..Hα-helixtrans-119.2-3.9-169.9-52.6-177.2000113.3L257 W267 N270 V271 V274 L307 F310L257-L261 HydrophobicContact CD2-CD1 3.68Å; L257-L261 HydrophobicContact CD2-CG 4.5Å; L257-L261 WeakPolarHBondContact O-CA 3.39Å; L257-L261 WeakPolarHBondContact O-CB 3.44Å; L257-L261 PolarHBondContact O-N 2.77Å; L261-W267 HydrophobicContact CB-CB 4.18Å; L261-W267 HydrophobicContact CB-CG 3.83Å; L261-W267 HydrophobicContact CD1-CB 3.99Å; L261-W267 HydrophobicContact CD1-CG 4.11Å; L261-N270 HydrophobicContact CB-CB 4.34Å; L261-N270 HydrophobicContact CD2-CB 4.33Å; L261-N270 PolarHBondContact O-ND2 3.33Å; L261-V271 HydrophobicContact CD1-CB 4.01Å; L261-V271 HydrophobicContact CD1-CG2 4.44Å; L261-V271 HydrophobicContact CD2-CB 3.86Å; L261-V271 HydrophobicContact CD2-CG2 4.31Å; L261-V274 HydrophobicContact CD2-CB 4.44Å; L261-V274 HydrophobicContact CD2-CG2 4.32Å; L261-L307 HydrophobicContact CD2-CD2 3.93Å; L261-F310 HydrophobicContact CD1-CD1 3.83Å; L261-F310 HydrophobicContact CD1-CE1 3.8Å; L261-F310 HydrophobicContact CD1-CZ 4.48Å
262G97.8Very high96.6Very high0 Ų043.2 Ų43.20%019%0.192CC..  trans77.1-135.6175.500000113.5L175 H258 W267L175-G262 WeakPolarHBondContact O-CA 3.31Å; H258-G262 PolarHBondContact ND1-O 3.12Å; H258-G262 WeakPolarHBondContact O-CA 3.45Å; H258-G262 PolarHBondContact O-N 3.32Å; G262-W267 PolarHBondContact O-NE1 2.74Å
263K97.6Very high96.3Very high80 Ų8046.5 Ų46.535%0.34821%0.209SC..SBendtrans-67.8145.1-178.4-62.3-177-171.9165.80111.4D178 E182 E265 D266 W267D178-K263 HydrophobicContact CB-CG 4.15Å; E182-K263 WeakPolarHBondContact OE2-CA 3.38Å; E182-K263 VanDerWaalsContact OE2-CB 3.28Å; E182-K263 WeakPolarHBondContact OE2-CB 3.45Å; E182-K263 WeakPolarHBondContact OE2-CG 3.29Å; K263-E265 HydrophobicContact CB-CG 4.13Å; K263-E265 PolarHBondContact O-N 3.13Å; K263-E265 VanDerWaalsContact O-N 3.14Å; K263-D266 PolarHBondContact O-N 2.75Å; K263-W267 PolarHBondContact O-N 2.84Å; K263-W267 PolarHBondContact O-NE1 3.24Å
264R97.2Very high96.2Very high153 Ų15347.2 Ų47.258%0.57721%0.213SC*.G310 helixtrans-57.9-34.5-174.2-169.7170.1-172.4-138.53.5113.4E182 D266 W267E182-R264 WeakPolarHBondContact OE1-CB 3.34Å; E182-R264 PolarHBondContact OE2-N 2.97Å; R264-D266 VanDerWaalsContact C-N 3.26Å; R264-D266 PolarHBondContact O-N 2.93Å; R264-W267 HydrophobicContact CB-CD2 4.48Å; R264-W267 HydrophobicContact CB-CH2 4.49Å; R264-W267 HydrophobicContact CB-CZ2 4.24Å; R264-W267 HydrophobicContact CG-CD2 4.18Å; R264-W267 HydrophobicContact CG-CE3 4.01Å; R264-W267 HydrophobicContact CG-CH2 3.97Å; R264-W267 HydrophobicContact CG-CZ2 4.18Å; R264-W267 HydrophobicContact CG-CZ3 3.89Å
265E96.3Very high96Very high158 Ų15844.6 Ų44.674%0.73820%0.201SC*.G310 helixtrans-64.2-27.5177.963.3-170.7173.700113.6K263K263-E265 HydrophobicContact CB-CG 4.13Å; K263-E265 PolarHBondContact O-N 3.13Å; K263-E265 VanDerWaalsContact O-N 3.14Å
266D95.1Very high95.7Very high60 Ų6045.2 Ų45.232%0.32121%0.206SC..G310 helixtrans-98.3-4.3-175.3-65.5-53.8000113.8K263 R264 K268 K269 N270K263-D266 PolarHBondContact O-N 2.75Å; R264-D266 VanDerWaalsContact C-N 3.26Å; R264-D266 PolarHBondContact O-N 2.93Å; D266-K268 VanDerWaalsContact C-N 3.35Å; D266-K268 PolarHBondContact O-N 3.1Å; D266-K269 PolarHBondContact O-N 2.98Å; D266-K269 VanDerWaalsContact O-N 3.1Å; D266-N270 VanDerWaalsContact CB-ND2 3.27Å; D266-N270 WeakPolarHBondContact CB-ND2 3.16Å; D266-N270 PolarHBondContact O-N 2.62Å; D266-N270 PolarHBondContact O-ND2 3.03Å
267W96.3Very high95.5Very high15 Ų1547.7 Ų47.76%0.05722%0.22CC..Hα-helixtrans-56.9-43.6-170.2-74-2.8000114.4E254 L257 H258 L261 G262 K263 R264 K269 N270 V271 F310E254-W267 HydrophobicContact CG-CH2 3.67Å; L257-W267 HydrophobicContact CB-CD2 4.25Å; L257-W267 HydrophobicContact CB-CE3 4.29Å; L257-W267 HydrophobicContact CB-CH2 3.87Å; L257-W267 HydrophobicContact CB-CZ2 3.78Å; L257-W267 HydrophobicContact CB-CZ3 4.12Å; L257-W267 HydrophobicContact CD1-CE3 4.17Å; L257-W267 HydrophobicContact CD1-CH2 4.28Å; L257-W267 HydrophobicContact CD1-CZ3 3.85Å; H258-W267 HydrophobicContact CB-CZ2 4.39Å; H258-W267 AromaticContact CD2-CZ2 3.62Å; H258-W267 AromaticContact CE1-CZ2 3.49Å; H258-W267 VanDerWaalsContact CE1-CZ2 3.49Å; H258-W267 WeakPolarHBondContact CE1-CZ2 3.45Å; H258-W267 AromaticContact CG-CZ2 3.62Å; H258-W267 AromaticContact ND1-CE2 3.99Å; H258-W267 AromaticContact ND1-CZ2 3.54Å; H258-W267 AromaticContact ND1-NE1 3.83Å; H258-W267 AromaticContact NE2-CZ2 3.55Å; L261-W267 HydrophobicContact CB-CB 4.18Å; L261-W267 HydrophobicContact CB-CG 3.83Å; L261-W267 HydrophobicContact CD1-CB 3.99Å; L261-W267 HydrophobicContact CD1-CG 4.11Å; G262-W267 PolarHBondContact O-NE1 2.74Å; K263-W267 PolarHBondContact O-N 2.84Å; K263-W267 PolarHBondContact O-NE1 3.24Å; R264-W267 HydrophobicContact CB-CD2 4.48Å; R264-W267 HydrophobicContact CB-CH2 4.49Å; R264-W267 HydrophobicContact CB-CZ2 4.24Å; R264-W267 HydrophobicContact CG-CD2 4.18Å; R264-W267 HydrophobicContact CG-CE3 4.01Å; R264-W267 HydrophobicContact CG-CH2 3.97Å; R264-W267 HydrophobicContact CG-CZ2 4.18Å; R264-W267 HydrophobicContact CG-CZ3 3.89Å; W267-K269 VanDerWaalsContact C-N 3.28Å; W267-K269 PolarHBondContact O-N 2.88Å; W267-N270 PolarHBondContact O-N 2.82Å; W267-V271 PolarHBondContact O-N 2.93Å; W267-F310 HydrophobicContact CB-CE1 3.77Å; W267-F310 HydrophobicContact CB-CZ 3.56Å; W267-F310 HydrophobicContact CD2-CZ 4.39Å; W267-F310 AromaticContact CE3-CE2 3.92Å; W267-F310 HydrophobicContact CE3-CE2 3.92Å; W267-F310 AromaticContact CE3-CZ 3.86Å; W267-F310 HydrophobicContact CE3-CZ 3.86Å; W267-F310 HydrophobicContact CG-CZ 4.36Å
268K92.9Very high95.4Very high144 Ų14447.5 Ų47.563%0.62622%0.219SC*.Hα-helixtrans-61-38.4-179.7-72.8-174.1178.5-1800111.8D266 V271 H272D266-K268 VanDerWaalsContact C-N 3.35Å; D266-K268 PolarHBondContact O-N 3.1Å; K268-V271 WeakPolarHBondContact O-CG1 3.32Å; K268-H272 PolarHBondContact O-CD2 3.27Å; K268-H272 VanDerWaalsContact O-CD2 3.28Å
269K91.7Very high95.2Very high122 Ų12247.4 Ų47.453%0.5322%0.218SC..Hα-helixtrans-71.3-49.2175.3175-175.3171.2-172.70110.7D266 W267 V271 H272 I273D266-K269 PolarHBondContact O-N 2.98Å; D266-K269 VanDerWaalsContact O-N 3.1Å; W267-K269 VanDerWaalsContact C-N 3.28Å; W267-K269 PolarHBondContact O-N 2.88Å; K269-V271 VanDerWaalsContact C-N 3.35Å; K269-V271 PolarHBondContact O-N 3.08Å; K269-H272 PolarHBondContact O-N 3.34Å; K269-I273 HydrophobicContact CG-CD1 4.25Å
270N94.9Very high95.1Very high9 Ų946.4 Ų46.45%0.04822%0.215CC..Hα-helixtrans-69-30.8-170.2-68.5-22000113.1L175 L261 D266 W267 H272 I273 V274L175-N270 HydrophobicContact CD1-CB 3.99Å; L175-N270 WeakPolarHBondContact CD2-ND2 3.24Å; L261-N270 HydrophobicContact CB-CB 4.34Å; L261-N270 HydrophobicContact CD2-CB 4.33Å; L261-N270 PolarHBondContact O-ND2 3.33Å; D266-N270 VanDerWaalsContact CB-ND2 3.27Å; D266-N270 WeakPolarHBondContact CB-ND2 3.16Å; D266-N270 PolarHBondContact O-N 2.62Å; D266-N270 PolarHBondContact O-ND2 3.03Å; W267-N270 PolarHBondContact O-N 2.82Å; N270-H272 VanDerWaalsContact C-N 3.28Å; N270-H272 PolarHBondContact O-N 2.89Å; N270-I273 PolarHBondContact O-N 2.65Å; N270-I273 VanDerWaalsContact O-N 3.1Å; N270-V274 WeakPolarHBondContact O-CB 3.49Å; N270-V274 WeakPolarHBondContact O-CG2 3.47Å; N270-V274 PolarHBondContact O-N 3.01Å
271V95.6Very high95Very high1 Ų145.5 Ų45.51%0.00621%0.212CC..Hα-helixtrans-61.8-36.4-179.668.60000112.5L261 W267 K268 K269 I273 L275 L307 F310L261-V271 HydrophobicContact CD1-CB 4.01Å; L261-V271 HydrophobicContact CD1-CG2 4.44Å; L261-V271 HydrophobicContact CD2-CB 3.86Å; L261-V271 HydrophobicContact CD2-CG2 4.31Å; W267-V271 PolarHBondContact O-N 2.93Å; K268-V271 WeakPolarHBondContact O-CG1 3.32Å; K269-V271 VanDerWaalsContact C-N 3.35Å; K269-V271 PolarHBondContact O-N 3.08Å; V271-I273 VanDerWaalsContact C-N 3.34Å; V271-L275 WeakPolarHBondContact O-CB 2.94Å; V271-L275 PolarHBondContact O-N 2.9Å; V271-L307 HydrophobicContact CG2-CB 4.24Å; V271-L307 HydrophobicContact CG2-CD2 4.43Å; V271-L307 HydrophobicContact CG2-CG 4.47Å; V271-L307 WeakPolarHBondContact CG2-O 3.26Å; V271-F310 HydrophobicContact CB-CD1 3.94Å; V271-F310 HydrophobicContact CB-CE1 4.31Å; V271-F310 HydrophobicContact CG1-CD1 3.93Å; V271-F310 HydrophobicContact CG1-CE1 4.15Å; V271-F310 HydrophobicContact CG2-CD1 4.02Å
272H92.7Very high95Very high11 Ų1145.6 Ų45.65%0.05121%0.212CC..Hα-helixtrans-78.9-18.3178.7-66.2-80.8000113.3K268 K269 N270 S276 F279 G311 Y414 A418K268-H272 PolarHBondContact O-CD2 3.27Å; K268-H272 VanDerWaalsContact O-CD2 3.28Å; K269-H272 PolarHBondContact O-N 3.34Å; N270-H272 VanDerWaalsContact C-N 3.28Å; N270-H272 PolarHBondContact O-N 2.89Å; H272-S276 VanDerWaalsContact O-CA 3.26Å; H272-S276 WeakPolarHBondContact O-CA 3.49Å; H272-S276 VanDerWaalsContact O-CB 3.26Å; H272-S276 WeakPolarHBondContact O-CB 3.36Å; H272-S276 PolarHBondContact O-N 3.17Å; H272-F279 AromaticContact ND1-CD2 3.86Å; H272-F279 AromaticContact ND1-CE2 3.64Å; H272-G311 PolarHBondContact CE1-O 3.02Å; H272-G311 PolarHBondContact NE2-O 3.17Å; H272-Y414 AromaticContact CE1-CE1 3.98Å; H272-A418 HydrophobicContact CB-CB 3.96Å; H272-A418 WeakPolarHBondContact CD2-CB 3.35Å; H272-A418 WeakPolarHBondContact NE2-CB 3.22Å
273I93Very high94.9Very high70 Ų7045.7 Ų45.736%0.35921%0.213SC..Hα-helixtrans-77.6-52.2168.9-61.3170.8000109.1L171 K269 N270 V271 L275 S276L171-I273 HydrophobicContact CD2-CD1 4.29Å; L171-I273 HydrophobicContact CD2-CG2 4.01Å; K269-I273 HydrophobicContact CG-CD1 4.25Å; N270-I273 PolarHBondContact O-N 2.65Å; N270-I273 VanDerWaalsContact O-N 3.1Å; V271-I273 VanDerWaalsContact C-N 3.34Å; I273-L275 PolarHBondContact O-N 3.19Å; I273-S276 WeakPolarHBondContact O-CB 3.36Å; I273-S276 PolarHBondContact O-N 3.49Å
274V94.9Very high94.7Very high15 Ų1542.5 Ų42.59%0.09120%0.199CC..Hα-helixtrans-63.5-38.8-176.2169.50000112.3P164 L172 L175 L261 N270 L307P164-V274 HydrophobicContact CB-CG1 3.7Å; P164-V274 HydrophobicContact CG-CG1 4.12Å; L172-V274 HydrophobicContact CD1-CG1 4.45Å; L172-V274 HydrophobicContact CD2-CB 4.44Å; L172-V274 HydrophobicContact CD2-CG1 3.86Å; L172-V274 HydrophobicContact CD2-CG2 3.65Å; L172-V274 HydrophobicContact CG-CG1 4.48Å; L172-V274 HydrophobicContact CG-CG2 4.21Å; L175-V274 HydrophobicContact CD1-CG2 3.98Å; L261-V274 HydrophobicContact CD2-CB 4.44Å; L261-V274 HydrophobicContact CD2-CG2 4.32Å; N270-V274 WeakPolarHBondContact O-CB 3.49Å; N270-V274 WeakPolarHBondContact O-CG2 3.47Å; N270-V274 PolarHBondContact O-N 3.01Å; V274-L307 HydrophobicContact CG1-CD2 4.09Å
275L94.4Very high94.6Very high3 Ų335.3 Ų35.32%0.01617%0.172CC..THydrogen-bonded Turntrans-104.419.2178.2-67.6-166.9000113.9P164 V271 I273 D277 L278 F279 L307 L308P164-L275 HydrophobicContact CG-CD2 4.2Å; V271-L275 WeakPolarHBondContact O-CB 2.94Å; V271-L275 PolarHBondContact O-N 2.9Å; I273-L275 PolarHBondContact O-N 3.19Å; L275-D277 VanDerWaalsContact C-N 3.3Å; L275-D277 PolarHBondContact O-N 2.98Å; L275-L278 HydrophobicContact CB-CB 4.39Å; L275-L278 HydrophobicContact CD1-CD2 4.26Å; L275-L278 HydrophobicContact CD2-CD2 4.13Å; L275-L278 PolarHBondContact O-N 3.28Å; L275-F279 HydrophobicContact CB-CD2 3.81Å; L275-F279 HydrophobicContact CB-CE2 3.75Å; L275-F279 HydrophobicContact CD1-CE2 4.35Å; L275-F279 WeakPolarHBondContact O-CD2 3.48Å; L275-F279 PolarHBondContact O-N 3.1Å; L275-L307 HydrophobicContact CD1-CB 3.41Å; L275-L307 VanDerWaalsContact CD1-CB 3.41Å; L275-L307 HydrophobicContact CD1-CD2 4.45Å; L275-L307 HydrophobicContact CG-CB 4.1Å; L275-L307 HydrophobicContact CG-CD2 4.25Å; L275-L308 HydrophobicContact CD1-CD2 4.41Å; L275-L308 HydrophobicContact CD1-CG 4.38Å
276S92.7Very high94.6Very high26 Ų2627.9 Ų27.918%0.18214%0.137CC..Hα-helixtrans-51.3-46.6-176-178.20000113H272 I273 S280H272-S276 VanDerWaalsContact O-CA 3.26Å; H272-S276 WeakPolarHBondContact O-CA 3.49Å; H272-S276 VanDerWaalsContact O-CB 3.26Å; H272-S276 WeakPolarHBondContact O-CB 3.36Å; H272-S276 PolarHBondContact O-N 3.17Å; I273-S276 WeakPolarHBondContact O-CB 3.36Å; I273-S276 PolarHBondContact O-N 3.49Å; S276-S280 WeakPolarHBondContact O-CB 3.46Å; S276-S280 PolarHBondContact O-N 3.01Å; S276-S280 PolarHBondContact O-OG 2.87Å
277D93.3Very high94.5Very high62 Ų6227.1 Ų27.133%0.33213%0.133SC..Hα-helixtrans-70.5-35.2-179.6-71.3-32.3000112.6I161 L275 S280 L281I161-D277 HydrophobicContact CB-CB 4.17Å; I161-D277 HydrophobicContact CD1-CB 4.29Å; I161-D277 HydrophobicContact CG2-CB 3.82Å; L275-D277 VanDerWaalsContact C-N 3.3Å; L275-D277 PolarHBondContact O-N 2.98Å; D277-S280 PolarHBondContact O-N 3.37Å; D277-L281 WeakPolarHBondContact O-CB 3.38Å; D277-L281 PolarHBondContact O-N 3.49Å
278L96Very high94.5Very high1 Ų128.8 Ų28.81%0.00514%0.143CC..Hα-helixtrans-69.5-42.2177.5-175.157.2000111.5F13 L162 L275 S280 L281 I282 L308F13-L278 HydrophobicContact CD1-CD1 4.4Å; F13-L278 HydrophobicContact CE1-CD1 3.62Å; F13-L278 HydrophobicContact CZ-CD1 4.21Å; L162-L278 HydrophobicContact CD2-CD1 3.85Å; L275-L278 HydrophobicContact CB-CB 4.39Å; L275-L278 HydrophobicContact CD1-CD2 4.26Å; L275-L278 HydrophobicContact CD2-CD2 4.13Å; L275-L278 PolarHBondContact O-N 3.28Å; L278-S280 VanDerWaalsContact C-N 3.33Å; L278-L281 HydrophobicContact CD1-CD2 4.09Å; L278-L281 WeakPolarHBondContact O-CB 3.33Å; L278-L281 PolarHBondContact O-N 3.38Å; L278-I282 WeakPolarHBondContact O-CG1 3.44Å; L278-I282 PolarHBondContact O-N 2.99Å; L278-I282 VanDerWaalsContact O-N 3.1Å; L278-L308 HydrophobicContact CD2-CD1 4.14Å; L278-L308 HydrophobicContact CD2-CD2 3.98Å; L278-L308 HydrophobicContact CD2-CG 4Å; L278-L308 HydrophobicContact CG-CD2 4.2Å
279F95.4Very high94.6Very high3 Ų323.4 Ų23.41%0.01312%0.119CC..Hα-helixtrans-64.1-39.9172.1-77.6-57.9000111.9H272 L275 L281 I282 L283 L308 L312 I415H272-F279 AromaticContact ND1-CD2 3.86Å; H272-F279 AromaticContact ND1-CE2 3.64Å; L275-F279 HydrophobicContact CB-CD2 3.81Å; L275-F279 HydrophobicContact CB-CE2 3.75Å; L275-F279 HydrophobicContact CD1-CE2 4.35Å; L275-F279 WeakPolarHBondContact O-CD2 3.48Å; L275-F279 PolarHBondContact O-N 3.1Å; F279-L281 VanDerWaalsContact C-N 3.34Å; F279-L281 PolarHBondContact O-N 2.84Å; F279-I282 PolarHBondContact O-N 3.17Å; F279-L283 PolarHBondContact O-N 3.05Å; F279-L308 HydrophobicContact CD1-CD2 4.38Å; F279-L308 HydrophobicContact CE1-CD2 3.9Å; F279-L308 HydrophobicContact CZ-CD2 4.26Å; F279-L312 HydrophobicContact CE1-CD1 4.47Å; F279-L312 HydrophobicContact CE1-CD2 3.99Å; F279-L312 HydrophobicContact CE1-CG 3.93Å; F279-L312 HydrophobicContact CZ-CG 4.49Å; F279-I415 HydrophobicContact CB-CD1 4.36Å; F279-I415 HydrophobicContact CB-CG2 3.82Å; F279-I415 HydrophobicContact CD1-CD1 3.74Å; F279-I415 HydrophobicContact CD1-CG1 4.17Å; F279-I415 HydrophobicContact CE1-CD1 4.48Å; F279-I415 HydrophobicContact CG-CD1 4.37Å; F279-I415 HydrophobicContact CG-CG2 4.37Å
280S93.6Very high94.7Very high12 Ų1224.7 Ų24.78%0.08413%0.125CC..Hα-helixtrans-63.1-39.6175.4-59.60000111.6S276 D277 L278 N284S276-S280 WeakPolarHBondContact O-CB 3.46Å; S276-S280 PolarHBondContact O-N 3.01Å; S276-S280 PolarHBondContact O-OG 2.87Å; D277-S280 PolarHBondContact O-N 3.37Å; L278-S280 VanDerWaalsContact C-N 3.33Å; S280-N284 WeakPolarHBondContact O-CB 3.27Å; S280-N284 PolarHBondContact O-N 3.12Å; S280-N284 PolarHBondContact O-ND2 3.42Å
281L96.1Very high94.7Very high11 Ų1132.1 Ų32.16%0.05816%0.156CC..Hα-helixtrans-57.3-51.7172.8172.766.8000111.2F13 I161 L162 D277 L278 F279 L283 N284 N285 Y298 M353F13-L281 HydrophobicContact CZ-CD2 4.49Å; I161-L281 HydrophobicContact CD1-CB 4.39Å; I161-L281 HydrophobicContact CD1-CD2 4.21Å; L162-L281 HydrophobicContact CD2-CD2 4.46Å; D277-L281 WeakPolarHBondContact O-CB 3.38Å; D277-L281 PolarHBondContact O-N 3.49Å; L278-L281 HydrophobicContact CD1-CD2 4.09Å; L278-L281 WeakPolarHBondContact O-CB 3.33Å; L278-L281 PolarHBondContact O-N 3.38Å; F279-L281 VanDerWaalsContact C-N 3.34Å; F279-L281 PolarHBondContact O-N 2.84Å; L281-L283 PolarHBondContact O-N 3.15Å; L281-N284 PolarHBondContact O-N 3.38Å; L281-N285 WeakPolarHBondContact O-CB 3.33Å; L281-N285 PolarHBondContact O-N 3.01Å; L281-N285 PolarHBondContact O-ND2 2.93Å; L281-Y298 HydrophobicContact CD2-CD1 4.48Å; L281-Y298 HydrophobicContact CD2-CE1 3.82Å; L281-M353 HydrophobicContact CD1-CE 3.36Å
282I97.4Very high94.7Very high1 Ų134.2 Ų34.21%0.00517%0.167CC..Hα-helixtrans-59.1-49.4-178.4-66.8163.7000110.8Q11 F13 L278 F279 N285 M286 L308 F328Q11-I282 PolarHBondContact NE2-O 2.67Å; Q11-I282 VanDerWaalsContact NE2-O 3.12Å; F13-I282 HydrophobicContact CE2-CD1 4Å; F13-I282 HydrophobicContact CE2-CG1 3.69Å; F13-I282 HydrophobicContact CZ-CD1 4.07Å; F13-I282 HydrophobicContact CZ-CG1 3.62Å; L278-I282 WeakPolarHBondContact O-CG1 3.44Å; L278-I282 PolarHBondContact O-N 2.99Å; L278-I282 VanDerWaalsContact O-N 3.1Å; F279-I282 PolarHBondContact O-N 3.17Å; I282-N285 PolarHBondContact O-N 3.42Å; I282-M286 HydrophobicContact CG2-CE 3.92Å; I282-M286 WeakPolarHBondContact O-CG 3.31Å; I282-M286 PolarHBondContact O-N 3.49Å; I282-M286 VanDerWaalsContact O-N 3.15Å; I282-L308 HydrophobicContact CD1-CD2 3.64Å; I282-F328 HydrophobicContact CD1-CE2 3.88Å; I282-F328 HydrophobicContact CD1-CZ 3.85Å; I282-F328 HydrophobicContact CG1-CE2 4.48Å; I282-F328 HydrophobicContact CG2-CD1 4.16Å; I282-F328 HydrophobicContact CG2-CD2 4.41Å; I282-F328 HydrophobicContact CG2-CE1 4.27Å; I282-F328 HydrophobicContact CG2-CG 4.24Å; I282-F328 HydrophobicContact CG2-CZ 4.46Å
283L94.8Very high95Very high3 Ų334.2 Ų34.22%0.01617%0.168CC..Hα-helixtrans-63.4-47.4178.8-75.7-176.3000112.2F279 L281 N285 M286 I287 F408 L411 Y412 I415F279-L283 PolarHBondContact O-N 3.05Å; L281-L283 PolarHBondContact O-N 3.15Å; L283-N285 VanDerWaalsContact C-N 3.26Å; L283-N285 PolarHBondContact O-N 3.35Å; L283-M286 PolarHBondContact O-N 3.49Å; L283-M286 VanDerWaalsContact O-N 3.09Å; L283-I287 VanDerWaalsContact O-CG1 3.3Å; L283-I287 WeakPolarHBondContact O-CG1 3.3Å; L283-I287 PolarHBondContact O-N 3.41Å; L283-F408 HydrophobicContact CD2-CE2 3.98Å; L283-F408 HydrophobicContact CD2-CZ 4.02Å; L283-L411 HydrophobicContact CD2-CD2 4.23Å; L283-L411 HydrophobicContact CD2-CG 4.04Å; L283-Y412 HydrophobicContact CD1-CD2 4.48Å; L283-I415 HydrophobicContact CD1-CB 3.82Å; L283-I415 HydrophobicContact CD1-CD1 4.11Å; L283-I415 HydrophobicContact CD1-CG2 3.48Å; L283-I415 VanDerWaalsContact CD1-CG2 3.48Å; L283-I415 HydrophobicContact CD2-CD1 3.9Å; L283-I415 HydrophobicContact CG-CB 4.49Å; L283-I415 HydrophobicContact CG-CD1 3.82Å; L283-I415 HydrophobicContact CG-CG2 4.28Å
284N93.8Very high95.2Very high12 Ų1233 Ų336%0.06416%0.161CC..Hα-helixtrans-62.3-37.6-178.8-79-24.7000111.5S280 L281 I287 N288 I356S280-N284 WeakPolarHBondContact O-CB 3.27Å; S280-N284 PolarHBondContact O-N 3.12Å; S280-N284 PolarHBondContact O-ND2 3.42Å; L281-N284 PolarHBondContact O-N 3.38Å; N284-I287 PolarHBondContact O-N 2.89Å; N284-N288 VanDerWaalsContact O-CB 3.31Å; N284-N288 WeakPolarHBondContact O-CB 3.46Å; N284-N288 PolarHBondContact O-N 3.12Å; N284-N288 PolarHBondContact O-ND2 2.93Å; N284-I356 PolarHBondContact ND2-O 3.24Å; N284-I356 VanDerWaalsContact ND2-O 3.13Å
285N96.3Very high95.3Very high3 Ų332.2 Ų32.22%0.01616%0.156CC..Hα-helixtrans-61.8-44173.7-74-17000111.7Q9 Q11 L281 I282 L283 N288 Y289 L292 H296 Y298Q9-N285 PolarHBondContact NE2-O 2.84Å; Q9-N285 PolarHBondContact OE1-O 2.85Å; Q11-N285 VanDerWaalsContact CD-CB 3.47Å; Q11-N285 HydrophobicContact CG-CB 4.5Å; Q11-N285 PolarHBondContact OE1-ND2 3Å; L281-N285 WeakPolarHBondContact O-CB 3.33Å; L281-N285 PolarHBondContact O-N 3.01Å; L281-N285 PolarHBondContact O-ND2 2.93Å; I282-N285 PolarHBondContact O-N 3.42Å; L283-N285 VanDerWaalsContact C-N 3.26Å; L283-N285 PolarHBondContact O-N 3.35Å; N285-N288 CarbonylContact O-C 3.6Å; N285-Y289 WeakPolarHBondContact O-CA 3.48Å; N285-Y289 PolarHBondContact O-N 3Å; N285-Y289 VanDerWaalsContact O-N 3.12Å; N285-L292 HydrophobicContact CB-CD1 4.27Å; N285-H296 PolarHBondContact ND2-ND1 3.38Å; N285-Y298 PolarHBondContact ND2-OH 3.38Å
286M95.8Very high95.5Very high1 Ų132.2 Ų32.21%0.00516%0.156CC..Hα-helixtrans-69.1-39.6178.7-69.4-175.5-175.900112.6I282 L283 N288 Y289 F328 L330 F408 L411I282-M286 HydrophobicContact CG2-CE 3.92Å; I282-M286 WeakPolarHBondContact O-CG 3.31Å; I282-M286 PolarHBondContact O-N 3.49Å; I282-M286 VanDerWaalsContact O-N 3.15Å; L283-M286 PolarHBondContact O-N 3.49Å; L283-M286 VanDerWaalsContact O-N 3.09Å; M286-N288 VanDerWaalsContact C-N 3.34Å; M286-Y289 VanDerWaalsContact O-CD1 3.26Å; M286-Y289 WeakPolarHBondContact O-CD1 3.4Å; M286-F328 HydrophobicContact CE-CB 3.28Å; M286-F328 HydrophobicContact CE-CD1 3.93Å; M286-F328 HydrophobicContact CE-CG 3.89Å; M286-L330 HydrophobicContact CB-CD1 4.3Å; M286-L330 HydrophobicContact CB-CD2 4.18Å; M286-L330 HydrophobicContact CG-CD1 4.43Å; M286-L330 VanDerWaalsContact O-CD2 3.31Å; M286-L330 WeakPolarHBondContact O-CD2 3.2Å; M286-L330 HydrophobicContact SD-CD1 4.41Å; M286-F408 HydrophobicContact CB-CD2 4.35Å; M286-F408 HydrophobicContact CB-CE2 3.57Å; M286-F408 HydrophobicContact CB-CZ 3.8Å; M286-F408 HydrophobicContact CG-CE2 4.13Å; M286-F408 HydrophobicContact SD-CD2 3.78Å; M286-F408 HydrophobicContact SD-CE2 3.4Å; M286-F408 WeakPolarHBondContact SD-CE2 3.5Å; M286-F408 HydrophobicContact SD-CZ 4.47Å; M286-L411 HydrophobicContact CE-CD2 4.23Å; M286-L411 HydrophobicContact SD-CD2 3.81Å
287I93.6Very high95.8Very high45 Ų4531 Ų3123%0.23115%0.147CC..Hα-helixtrans-65.8-41177.8-68.2164.4000110.3L283 N284 L358 F408 Y412L283-I287 VanDerWaalsContact O-CG1 3.3Å; L283-I287 WeakPolarHBondContact O-CG1 3.3Å; L283-I287 PolarHBondContact O-N 3.41Å; N284-I287 PolarHBondContact O-N 2.89Å; I287-L358 HydrophobicContact CD1-CD1 4.32Å; I287-F408 HydrophobicContact CG1-CE1 3.84Å; I287-F408 HydrophobicContact CG1-CZ 3.82Å; I287-Y412 HydrophobicContact CD1-CD2 4.1Å; I287-Y412 HydrophobicContact CD1-CE2 3.95Å
288N94.7Very high96.1Very high49 Ų4928 Ų2826%0.26213%0.132SC..THydrogen-bonded Turntrans-97.121.1-175.5-63.6-76000113.6N284 N285 M286 K290 K291 L292N284-N288 VanDerWaalsContact O-CB 3.31Å; N284-N288 WeakPolarHBondContact O-CB 3.46Å; N284-N288 PolarHBondContact O-N 3.12Å; N284-N288 PolarHBondContact O-ND2 2.93Å; N285-N288 CarbonylContact O-C 3.6Å; M286-N288 VanDerWaalsContact C-N 3.34Å; N288-K290 PolarHBondContact O-N 3.14Å; N288-K291 PolarHBondContact O-N 3.25Å; N288-L292 HydrophobicContact CB-CD1 3.98Å; N288-L292 HydrophobicContact CB-CG 4.37Å; N288-L292 PolarHBondContact O-N 2.72Å
289Y95.3Very high96.2Very high32 Ų3228 Ų2813%0.12513%0.132CC..G310 helixtrans-51.3-31.2-173.675-90.7000114.4L8 N285 M286 K291 L330 L373L8-Y289 HydrophobicContact CB-CD2 3.92Å; L8-Y289 HydrophobicContact CB-CE2 4.15Å; L8-Y289 HydrophobicContact CD1-CD2 4.01Å; L8-Y289 HydrophobicContact CD1-CE1 4.18Å; L8-Y289 HydrophobicContact CD1-CE2 3.5Å; L8-Y289 VanDerWaalsContact CD1-CE2 3.5Å; L8-Y289 HydrophobicContact CD2-CD2 4.4Å; L8-Y289 HydrophobicContact CD2-CE2 3.88Å; L8-Y289 HydrophobicContact CG-CD2 4.34Å; L8-Y289 HydrophobicContact CG-CE2 4.05Å; N285-Y289 WeakPolarHBondContact O-CA 3.48Å; N285-Y289 PolarHBondContact O-N 3Å; N285-Y289 VanDerWaalsContact O-N 3.12Å; M286-Y289 VanDerWaalsContact O-CD1 3.26Å; M286-Y289 WeakPolarHBondContact O-CD1 3.4Å; Y289-K291 VanDerWaalsContact C-N 3.26Å; Y289-K291 PolarHBondContact O-N 3.28Å; Y289-L330 HydrophobicContact CD1-CD2 3.71Å; Y289-L330 HydrophobicContact CE1-CD2 4.42Å; Y289-L330 HydrophobicContact CG-CD2 3.81Å; Y289-L373 HydrophobicContact CD1-CD1 4.5Å; Y289-L373 HydrophobicContact CE1-CD1 3.99Å; Y289-L373 HydrophobicContact CE1-CD2 4.04Å
290K94Very high96.4Very high149 Ų14927.9 Ų27.965%0.64813%0.131SC*.G310 helixtrans-69-20.8178.9-63.3-176.4-176.8174.60114.1N288N288-K290 PolarHBondContact O-N 3.14Å
291K95.3Very high96.6Very high164 Ų16427.8 Ų27.871%0.71313%0.129SC*.G310 helixtrans-107.3-6.2-175.6-61.3178.9-177.6173.20112.7N288 Y289N288-K291 PolarHBondContact O-N 3.25Å; Y289-K291 VanDerWaalsContact C-N 3.26Å; Y289-K291 PolarHBondContact O-N 3.28Å
292L96.5Very high96.7Very high46 Ų4628.2 Ų28.224%0.24113%0.132CC..SBendtrans-115.3158.2-173.2-65.8174.7000110.1N285 N288N285-L292 HydrophobicContact CB-CD1 4.27Å; N288-L292 HydrophobicContact CB-CD1 3.98Å; N288-L292 HydrophobicContact CB-CG 4.37Å; N288-L292 PolarHBondContact O-N 2.72Å
293P97.4Very high96.8Very high10 Ų1028.7 Ų28.77%0.06514%0.135CC..  trans-52.1146.4168.8-2636.7000111.1F295 H296 L350P293-F295 VanDerWaalsContact C-N 3.31Å; P293-F295 PolarHBondContact O-N 2.84Å; P293-H296 PolarHBondContact O-CD2 3.17Å; P293-H296 VanDerWaalsContact O-CD2 3.22Å; P293-H296 PolarHBondContact O-NE2 3.03Å; P293-L350 HydrophobicContact CG-CD2 4.3Å
294Q97.2Very high96.9Very high44 Ų4428.6 Ų28.621%0.20614%0.135CC..SBendtrans-79.9-15-17671.2179.320.100112.9Q9 V10 F108 Q117Q9-Q294 CarbonylContact C-O 3.54Å; Q9-Q294 VanDerWaalsContact CA-O 3.26Å; Q9-Q294 WeakPolarHBondContact CA-O 3.48Å; V10-Q294 PolarHBondContact N-O 3.11Å; F108-Q294 HydrophobicContact CE1-CB 4.38Å; F108-Q294 HydrophobicContact CE1-CG 4.03Å; F108-Q294 HydrophobicContact CE2-CB 4.44Å; F108-Q294 HydrophobicContact CE2-CG 4.44Å; F108-Q294 HydrophobicContact CZ-CB 3.73Å; F108-Q294 HydrophobicContact CZ-CG 3.76Å; F108-Q294 PolarHBondContact O-NE2 2.58Å; Q117-Q294 HydrophobicContact CB-CG 4.42Å; Q117-Q294 PolarHBondContact O-N 2.78Å; Q117-Q294 VanDerWaalsContact OE1-CG 3.23Å
295F98.6Very high97.2Very high0 Ų028 Ų280%013%0.131CC..EExtended strand (participates in β ladder)trans-131.8115-175.8-159.7-87.8000112.1V10 V12 L98 Y102 F108 L109 Q117 F118 Y119 L139 P293 L297V10-F295 HydrophobicContact CB-CD2 3.59Å; V10-F295 HydrophobicContact CB-CE2 3.74Å; V10-F295 HydrophobicContact CB-CG 4.45Å; V10-F295 HydrophobicContact CG1-CD2 3.94Å; V10-F295 HydrophobicContact CG1-CE2 3.56Å; V10-F295 HydrophobicContact CG1-CZ 4.23Å; V10-F295 HydrophobicContact CG2-CD2 4.05Å; V10-F295 HydrophobicContact CG2-CE2 4.17Å; V10-F295 CarbonylContact O-C 3.55Å; V10-F295 WeakPolarHBondContact O-CA 3.48Å; V12-F295 HydrophobicContact CG2-CE1 4.31Å; V12-F295 HydrophobicContact CG2-CZ 3.98Å; L98-F295 HydrophobicContact CB-CZ 4.5Å; L98-F295 HydrophobicContact CD1-CZ 4.36Å; L98-F295 HydrophobicContact CD2-CZ 4.43Å; Y102-F295 HydrophobicContact CD1-CE2 4.26Å; Y102-F295 AromaticContact CD2-CE2 3.5Å; Y102-F295 HydrophobicContact CD2-CE2 3.5Å; Y102-F295 VanDerWaalsContact CD2-CE2 3.5Å; Y102-F295 AromaticContact CD2-CZ 3.88Å; Y102-F295 HydrophobicContact CD2-CZ 3.88Å; Y102-F295 AromaticContact CE2-CE2 3.92Å; Y102-F295 HydrophobicContact CE2-CE2 3.92Å; Y102-F295 HydrophobicContact CE2-CZ 4.23Å; Y102-F295 AromaticContact CG-CE2 3.67Å; Y102-F295 HydrophobicContact CG-CE2 3.67Å; Y102-F295 HydrophobicContact CG-CZ 4.46Å; F108-F295 HydrophobicContact CD1-CD2 4.39Å; F108-F295 HydrophobicContact CE1-CD2 4.09Å; L109-F295 HydrophobicContact CD1-CD1 4.48Å; L109-F295 HydrophobicContact CD1-CD2 3.83Å; L109-F295 HydrophobicContact CD1-CE1 4.5Å; L109-F295 HydrophobicContact CD1-CE2 3.89Å; L109-F295 HydrophobicContact CD1-CG 4.15Å; L109-F295 HydrophobicContact CD1-CZ 4.23Å; L109-F295 HydrophobicContact CD2-CB 3.78Å; L109-F295 HydrophobicContact CD2-CD2 3.91Å; L109-F295 HydrophobicContact CD2-CG 3.94Å; L109-F295 HydrophobicContact CG-CD2 4.08Å; L109-F295 HydrophobicContact CG-CG 4.49Å; Q117-F295 PolarHBondContact O-N 2.88Å; F118-F295 CarbonylContact C-O 3.58Å; F118-F295 VanDerWaalsContact CA-O 3.27Å; F118-F295 WeakPolarHBondContact CA-O 3.42Å; F118-F295 HydrophobicContact CD1-CB 4.14Å; F118-F295 AromaticContact CD1-CD1 3.72Å; F118-F295 HydrophobicContact CD1-CD1 3.72Å; F118-F295 HydrophobicContact CD1-CG 4.31Å; F118-F295 HydrophobicContact CE1-CB 4Å; F118-F295 AromaticContact CE1-CD1 3.38Å; F118-F295 HydrophobicContact CE1-CD1 3.38Å; F118-F295 HydrophobicContact CE1-CE1 4.07Å; F118-F295 AromaticContact CE1-CG 3.88Å; F118-F295 HydrophobicContact CE1-CG 3.88Å; F118-F295 HydrophobicContact CZ-CB 4.43Å; F118-F295 HydrophobicContact CZ-CD1 4.37Å; Y119-F295 PolarHBondContact N-O 3.25Å; L139-F295 HydrophobicContact CD2-CE1 4.25Å; P293-F295 VanDerWaalsContact C-N 3.31Å; P293-F295 PolarHBondContact O-N 2.84Å; F295-L297 HydrophobicContact CD1-CD2 4.33Å; F295-L297 HydrophobicContact CD1-CG 4.14Å; F295-L297 HydrophobicContact CE1-CD1 4.29Å; F295-L297 HydrophobicContact CE1-CD2 3.55Å; F295-L297 HydrophobicContact CE1-CG 3.79Å; F295-L297 HydrophobicContact CZ-CD2 4.35Å
296H98.9Very high97.3Very high2 Ų227.9 Ų27.91%0.00913%0.131CC..EExtended strand (participates in β ladder)trans-111.8133.3-177.2-59.6-144.3000110Q9 V10 Q11 V12 Y119 N285 P293 Y298Q9-H296 PolarHBondContact NE2-NE2 2.85Å; V10-H296 PolarHBondContact O-N 3.33Å; Q11-H296 HydrophobicContact CB-CB 4.36Å; Q11-H296 HydrophobicContact CG-CB 4.15Å; V12-H296 PolarHBondContact N-O 2.94Å; Y119-H296 AromaticContact CD1-ND1 3.84Å; Y119-H296 CarbonylContact O-C 3.58Å; Y119-H296 VanDerWaalsContact O-CA 3.28Å; Y119-H296 WeakPolarHBondContact O-CA 3.22Å; N285-H296 PolarHBondContact ND2-ND1 3.38Å; P293-H296 PolarHBondContact O-CD2 3.17Å; P293-H296 VanDerWaalsContact O-CD2 3.22Å; P293-H296 PolarHBondContact O-NE2 3.03Å; H296-Y298 HydrophobicContact CB-CD2 4.18Å; H296-Y298 HydrophobicContact CB-CE2 3.43Å; H296-Y298 VanDerWaalsContact CB-CE2 3.43Å; H296-Y298 AromaticContact ND1-CZ 3.82Å; H296-Y298 PolarHBondContact ND1-OH 2.96Å
297L98.9Very high97.4Very high0 Ų027.8 Ų27.80%013%0.13CC..EExtended strand (participates in β ladder)trans-118.5124.6172.4-70.5-178.1000109.3V12 F14 L98 Y119 L120 R121 L132 V135 M136 F295V12-L297 HydrophobicContact CB-CD2 3.6Å; V12-L297 HydrophobicContact CG1-CD2 4.06Å; V12-L297 HydrophobicContact CG2-CD2 3.82Å; V12-L297 CarbonylContact O-C 3.59Å; F14-L297 HydrophobicContact CE1-CB 4.2Å; F14-L297 HydrophobicContact CE1-CD2 4.46Å; L98-L297 HydrophobicContact CD1-CD2 3.89Å; Y119-L297 PolarHBondContact O-N 3.49Å; L120-L297 HydrophobicContact CD2-CB 3.82Å; L120-L297 HydrophobicContact CD2-CD1 3.76Å; L120-L297 HydrophobicContact CD2-CG 4Å; R121-L297 PolarHBondContact N-O 2.71Å; L132-L297 HydrophobicContact CD1-CB 3.82Å; L132-L297 HydrophobicContact CD1-CD1 4.04Å; V135-L297 HydrophobicContact CG1-CD1 3.84Å; V135-L297 HydrophobicContact CG1-CD2 4.48Å; M136-L297 HydrophobicContact SD-CD1 3.65Å; F295-L297 HydrophobicContact CD1-CD2 4.33Å; F295-L297 HydrophobicContact CD1-CG 4.14Å; F295-L297 HydrophobicContact CE1-CD1 4.29Å; F295-L297 HydrophobicContact CE1-CD2 3.55Å; F295-L297 HydrophobicContact CE1-CG 3.79Å; F295-L297 HydrophobicContact CZ-CD2 4.35Å
298Y98.9Very high97.6Very high1 Ų125.7 Ų25.70%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-121.4104.5179.2-62.6-83.3000109.9Q11 V12 F13 F14 Y119 R121 L162 L281 N285 H296Q11-Y298 HydrophobicContact CB-CE2 4.43Å; V12-Y298 PolarHBondContact O-N 2.83Å; F13-Y298 WeakPolarHBondContact CA-O 3.44Å; F13-Y298 AromaticContact CD1-CD2 3.9Å; F13-Y298 HydrophobicContact CD1-CD2 3.9Å; F13-Y298 AromaticContact CD1-CG 3.72Å; F13-Y298 HydrophobicContact CD1-CG 3.72Å; F13-Y298 HydrophobicContact CD2-CD2 4.09Å; F13-Y298 AromaticContact CE1-CD1 3.95Å; F13-Y298 HydrophobicContact CE1-CD1 3.95Å; F13-Y298 AromaticContact CE1-CD2 3.49Å; F13-Y298 HydrophobicContact CE1-CD2 3.49Å; F13-Y298 VanDerWaalsContact CE1-CD2 3.49Å; F13-Y298 HydrophobicContact CE1-CE2 4.1Å; F13-Y298 AromaticContact CE1-CG 3.42Å; F13-Y298 HydrophobicContact CE1-CG 3.42Å; F13-Y298 VanDerWaalsContact CE1-CG 3.42Å; F13-Y298 AromaticContact CE2-CD2 3.71Å; F13-Y298 HydrophobicContact CE2-CD2 3.71Å; F13-Y298 HydrophobicContact CE2-CE2 4.04Å; F13-Y298 HydrophobicContact CE2-CG 4.47Å; F13-Y298 HydrophobicContact CG-CD2 4.17Å; F13-Y298 HydrophobicContact CG-CG 4.35Å; F13-Y298 HydrophobicContact CZ-CD1 4.42Å; F13-Y298 AromaticContact CZ-CD2 3.39Å; F13-Y298 HydrophobicContact CZ-CD2 3.39Å; F13-Y298 AromaticContact CZ-CE2 3.64Å; F13-Y298 HydrophobicContact CZ-CE2 3.64Å; F13-Y298 AromaticContact CZ-CG 3.84Å; F13-Y298 HydrophobicContact CZ-CG 3.84Å; F14-Y298 WeakPolarHBondContact CD1-O 2.99Å; F14-Y298 PolarHBondContact N-O 3.43Å; Y119-Y298 AromaticContact CD1-CE1 3.95Å; Y119-Y298 HydrophobicContact CD1-CE1 3.95Å; Y119-Y298 AromaticContact CD1-CZ 3.85Å; Y119-Y298 WeakPolarHBondContact CD1-OH 3.29Å; Y119-Y298 AromaticContact CE1-CE1 3.66Å; Y119-Y298 HydrophobicContact CE1-CE1 3.66Å; Y119-Y298 AromaticContact CE1-CZ 3.98Å; R121-Y298 HydrophobicContact CB-CD1 3.73Å; R121-Y298 HydrophobicContact CB-CE1 3.96Å; R121-Y298 HydrophobicContact CG-CD1 4.22Å; R121-Y298 HydrophobicContact CG-CE1 4.47Å; R121-Y298 CarbonylContact O-C 3.58Å; R121-Y298 VanDerWaalsContact O-CA 3.31Å; R121-Y298 WeakPolarHBondContact O-CA 3.31Å; L162-Y298 HydrophobicContact CD1-CD1 4.34Å; L162-Y298 HydrophobicContact CD2-CD1 3.85Å; L162-Y298 HydrophobicContact CD2-CG 4.4Å; L281-Y298 HydrophobicContact CD2-CD1 4.48Å; L281-Y298 HydrophobicContact CD2-CE1 3.82Å; N285-Y298 PolarHBondContact ND2-OH 3.38Å; H296-Y298 HydrophobicContact CB-CD2 4.18Å; H296-Y298 HydrophobicContact CB-CE2 3.43Å; H296-Y298 VanDerWaalsContact CB-CE2 3.43Å; H296-Y298 AromaticContact ND1-CZ 3.82Å; H296-Y298 PolarHBondContact ND1-OH 2.96Å
299A98.9Very high97.8Very high0 Ų023.4 Ų23.40%011%0.107CC..EExtended strand (participates in β ladder)trans-83.4115.2175.900000110.7F14 R121 T123 T128 L132F14-A299 HydrophobicContact CE1-CB 4.02Å; F14-A299 HydrophobicContact CE2-CB 3.73Å; F14-A299 HydrophobicContact CZ-CB 3.4Å; F14-A299 VanDerWaalsContact CZ-CB 3.4Å; R121-A299 PolarHBondContact O-N 2.99Å; T123-A299 PolarHBondContact N-O 3.29Å; T128-A299 WeakPolarHBondContact O-CB 3.43Å; L132-A299 HydrophobicContact CB-CB 3.98Å
300C98.6Very high97.9Very high0 Ų023.7 Ų23.70%011%0.109CC..EExtended strand (participates in β ladder)trans-138.2-154.6-170.366.90000112.2F14 H16 T128 L162 S304F14-C300 PolarHBondContact O-N 3.22Å; F14-C300 PolarHBondContact O-SG 3.03Å; F14-C300 VanDerWaalsContact O-SG 3.34Å; H16-C300 PolarHBondContact N-O 3.38Å; H16-C300 VanDerWaalsContact N-O 3.12Å; T128-C300 WeakPolarHBondContact CG2-O 3.5Å; L162-C300 HydrophobicContact CB-CB 4.41Å; C300-S304 WeakPolarHBondContact CB-OG 3.18Å; C300-S304 VanDerWaalsContact SG-CB 3.58Å
301H98.5Very high97.9Very high11 Ų1116.7 Ų16.75%0.0518%0.079CC..  trans-120.7170.9-170.4-56.8-73.2000111.7H16 T123 T128 S303 S304 I305H16-H301 AromaticContact CD2-ND1 3.59Å; H16-H301 AromaticContact NE2-ND1 3.81Å; T123-H301 PolarHBondContact OG1-NE2 3.25Å; T128-H301 VanDerWaalsContact CG2-CE1 3.45Å; T128-H301 WeakPolarHBondContact CG2-CE1 3.33Å; H301-S303 VanDerWaalsContact C-N 3.31Å; H301-S304 PolarHBondContact N-OG 2.78Å; H301-S304 VanDerWaalsContact N-OG 3.08Å; H301-S304 WeakPolarHBondContact O-CB 3.39Å; H301-S304 PolarHBondContact O-N 2.77Å; H301-S304 PolarHBondContact O-OG 3.35Å; H301-I305 WeakPolarHBondContact O-CG1 3.27Å; H301-I305 PolarHBondContact O-N 3.43Å
302D98.3Very high97.9Very high19 Ų198.9 Ų8.910%0.1025%0.045CC..Hα-helixtrans-58.2-44.1170.126.624.8000111.5R15 S304 I305 M306 W319R15-D302 IonicContact CZ-OD2 3.97Å; R15-D302 VanDerWaalsContact CZ-OD2 3.24Å; R15-D302 IonicContact NE-OD2 2.97Å; R15-D302 PolarHBondContact NE-OD2 2.94Å; R15-D302 IonicContact NH2-OD2 3.6Å; R15-D302 PolarHBondContact NH2-OD2 3.46Å; D302-S304 VanDerWaalsContact C-N 3.26Å; D302-S304 PolarHBondContact O-N 3.34Å; D302-I305 PolarHBondContact O-N 3.24Å; D302-M306 WeakPolarHBondContact O-CB 3.4Å; D302-M306 PolarHBondContact O-N 3.49Å; D302-W319 HydrophobicContact CB-CZ2 4.21Å; D302-W319 VanDerWaalsContact CB-NE1 3.29Å; D302-W319 WeakPolarHBondContact OD2-CZ2 3.28Å; D302-W319 PolarHBondContact OD2-NE1 3.09Å; D302-W319 VanDerWaalsContact OD2-NE1 3.1Å
303S97.8Very high97.7Very high12 Ų1210.6 Ų10.68%0.0846%0.055CC..Hα-helixtrans-55.3-43.1175.8570000111.8H301 L307H301-S303 VanDerWaalsContact C-N 3.31Å; S303-L307 WeakPolarHBondContact O-CB 3.39Å; S303-L307 WeakPolarHBondContact O-CD1 3.49Å; S303-L307 PolarHBondContact O-N 3.42Å
304S98.5Very high97.6Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-59.1-52.4176.6-35.80000112L162 C300 H301 D302 L308L162-S304 WeakPolarHBondContact O-CB 3.2Å; L162-S304 PolarHBondContact O-OG 3.16Å; C300-S304 WeakPolarHBondContact CB-OG 3.18Å; C300-S304 VanDerWaalsContact SG-CB 3.58Å; H301-S304 PolarHBondContact N-OG 2.78Å; H301-S304 VanDerWaalsContact N-OG 3.08Å; H301-S304 WeakPolarHBondContact O-CB 3.39Å; H301-S304 PolarHBondContact O-N 2.77Å; H301-S304 PolarHBondContact O-OG 3.35Å; D302-S304 VanDerWaalsContact C-N 3.26Å; D302-S304 PolarHBondContact O-N 3.34Å; S304-L308 WeakPolarHBondContact O-CB 3.16Å; S304-L308 VanDerWaalsContact O-CG 3.31Å; S304-L308 WeakPolarHBondContact O-CG 3.44Å; S304-L308 PolarHBondContact O-N 2.96Å
305I98.7Very high97.5Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-66.6-44.2-178.1-57.9-60.2000110.5F13 R15 H301 D302 L308 L309 P320 I326 Y379F13-I305 HydrophobicContact CB-CD1 3.97Å; F13-I305 WeakPolarHBondContact O-CD1 3.44Å; R15-I305 HydrophobicContact CB-CG1 4.17Å; H301-I305 WeakPolarHBondContact O-CG1 3.27Å; H301-I305 PolarHBondContact O-N 3.43Å; D302-I305 PolarHBondContact O-N 3.24Å; I305-L308 PolarHBondContact O-N 3.41Å; I305-L309 HydrophobicContact CG2-CD1 3.96Å; I305-L309 HydrophobicContact CG2-CG 4.41Å; I305-L309 VanDerWaalsContact O-CG 3.26Å; I305-L309 WeakPolarHBondContact O-CG 3.44Å; I305-L309 PolarHBondContact O-N 2.89Å; I305-P320 HydrophobicContact CB-CB 4.27Å; I305-P320 HydrophobicContact CB-CG 4.11Å; I305-P320 HydrophobicContact CG2-CB 3.89Å; I305-P320 HydrophobicContact CG2-CG 3.82Å; I305-I326 HydrophobicContact CD1-CG2 3.86Å; I305-Y379 HydrophobicContact CG2-CE2 4.01Å
306M98.5Very high97.4Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-62.8-46.7-177.8-168.5-176.172.800111.6L256 L257 D302 L309 F310 F315 P320L256-M306 HydrophobicContact CB-CE 3.78Å; L256-M306 HydrophobicContact CB-SD 4.49Å; L256-M306 HydrophobicContact CD2-CE 3.47Å; L256-M306 VanDerWaalsContact CD2-CE 3.47Å; L256-M306 HydrophobicContact CD2-SD 4.08Å; L256-M306 HydrophobicContact CG-CE 3.68Å; L257-M306 HydrophobicContact CD2-CE 3.78Å; L257-M306 HydrophobicContact CG-CE 3.85Å; D302-M306 WeakPolarHBondContact O-CB 3.4Å; D302-M306 PolarHBondContact O-N 3.49Å; M306-L309 PolarHBondContact O-N 2.54Å; M306-F310 WeakPolarHBondContact O-CB 3.49Å; M306-F310 PolarHBondContact O-N 2.99Å; M306-F315 HydrophobicContact CG-CD2 4.34Å; M306-F315 HydrophobicContact CG-CE1 4.26Å; M306-F315 HydrophobicContact CG-CE2 3.63Å; M306-F315 HydrophobicContact CG-CZ 3.57Å; M306-F315 HydrophobicContact SD-CZ 4.05Å; M306-P320 HydrophobicContact CB-CG 4.09Å
307L98.4Very high97.3Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-73.6-29.8179.4-82.380.5000112.4P164 F260 L261 V271 V274 L275 S303 F310 G311P164-L307 HydrophobicContact CG-CD1 4.28Å; P164-L307 HydrophobicContact CG-CD2 3.61Å; P164-L307 HydrophobicContact CG-CG 4.49Å; F260-L307 HydrophobicContact CB-CD2 4.07Å; F260-L307 HydrophobicContact CD2-CD1 3.92Å; L261-L307 HydrophobicContact CD2-CD2 3.93Å; V271-L307 HydrophobicContact CG2-CB 4.24Å; V271-L307 HydrophobicContact CG2-CD2 4.43Å; V271-L307 HydrophobicContact CG2-CG 4.47Å; V271-L307 WeakPolarHBondContact CG2-O 3.26Å; V274-L307 HydrophobicContact CG1-CD2 4.09Å; L275-L307 HydrophobicContact CD1-CB 3.41Å; L275-L307 VanDerWaalsContact CD1-CB 3.41Å; L275-L307 HydrophobicContact CD1-CD2 4.45Å; L275-L307 HydrophobicContact CG-CB 4.1Å; L275-L307 HydrophobicContact CG-CD2 4.25Å; S303-L307 WeakPolarHBondContact O-CB 3.39Å; S303-L307 WeakPolarHBondContact O-CD1 3.49Å; S303-L307 PolarHBondContact O-N 3.42Å; L307-F310 PolarHBondContact O-N 2.92Å; L307-G311 PolarHBondContact O-N 3.38Å
308L98.1Very high97.2Very high0 Ų019.5 Ų19.50%011%0.106CC..Hα-helixtrans-62.4-48.2169.4-81.1173.8000111.2F13 L275 L278 F279 I282 S304 I305 F310 L312 I326F13-L308 HydrophobicContact CB-CD1 4.22Å; F13-L308 HydrophobicContact CD1-CD1 4.29Å; F13-L308 HydrophobicContact CD2-CD1 4.5Å; F13-L308 HydrophobicContact CG-CD1 4.08Å; L275-L308 HydrophobicContact CD1-CD2 4.41Å; L275-L308 HydrophobicContact CD1-CG 4.38Å; L278-L308 HydrophobicContact CD2-CD1 4.14Å; L278-L308 HydrophobicContact CD2-CD2 3.98Å; L278-L308 HydrophobicContact CD2-CG 4Å; L278-L308 HydrophobicContact CG-CD2 4.2Å; F279-L308 HydrophobicContact CD1-CD2 4.38Å; F279-L308 HydrophobicContact CE1-CD2 3.9Å; F279-L308 HydrophobicContact CZ-CD2 4.26Å; I282-L308 HydrophobicContact CD1-CD2 3.64Å; S304-L308 WeakPolarHBondContact O-CB 3.16Å; S304-L308 VanDerWaalsContact O-CG 3.31Å; S304-L308 WeakPolarHBondContact O-CG 3.44Å; S304-L308 PolarHBondContact O-N 2.96Å; I305-L308 PolarHBondContact O-N 3.41Å; L308-F310 VanDerWaalsContact C-N 3.29Å; L308-F310 PolarHBondContact O-N 3.48Å; L308-L312 VanDerWaalsContact O-CB 3.3Å; L308-L312 WeakPolarHBondContact O-CB 3.37Å; L308-L312 WeakPolarHBondContact O-CD1 3.39Å; L308-L312 VanDerWaalsContact O-CG 3.23Å; L308-L312 WeakPolarHBondContact O-CG 3.05Å; L308-L312 PolarHBondContact O-N 3.42Å; L308-I326 HydrophobicContact CB-CD1 4.46Å; L308-I326 HydrophobicContact CD1-CG2 4Å
309L98.1Very high97.2Very high1 Ų120 Ų201%0.00511%0.108CC..Hα-helixtrans-60.1-41.9176.3-68.1166.5000111.3I305 M306 L312 N313 I314 F315 P320 I326 Y379I305-L309 HydrophobicContact CG2-CD1 3.96Å; I305-L309 HydrophobicContact CG2-CG 4.41Å; I305-L309 VanDerWaalsContact O-CG 3.26Å; I305-L309 WeakPolarHBondContact O-CG 3.44Å; I305-L309 PolarHBondContact O-N 2.89Å; M306-L309 PolarHBondContact O-N 2.54Å; L309-L312 PolarHBondContact O-N 2.95Å; L309-N313 PolarHBondContact O-N 3.35Å; L309-I314 HydrophobicContact CB-CG1 4.36Å; L309-I314 HydrophobicContact CD2-CD1 3.8Å; L309-I314 HydrophobicContact CD2-CG1 3.93Å; L309-I314 VanDerWaalsContact O-CG1 3.28Å; L309-I314 WeakPolarHBondContact O-CG1 3.32Å; L309-I314 PolarHBondContact O-N 2.81Å; L309-F315 HydrophobicContact CB-CB 3.98Å; L309-F315 HydrophobicContact CB-CD2 3.9Å; L309-F315 HydrophobicContact CB-CG 4.38Å; L309-F315 HydrophobicContact CD1-CD2 4.13Å; L309-F315 PolarHBondContact O-N 3.41Å; L309-F315 VanDerWaalsContact O-N 3.12Å; L309-P320 HydrophobicContact CD1-CG 4.33Å; L309-I326 HydrophobicContact CD2-CD1 4Å; L309-Y379 HydrophobicContact CD1-CD2 4.13Å; L309-Y379 HydrophobicContact CD1-CE1 4.08Å; L309-Y379 HydrophobicContact CD1-CE2 3.6Å; L309-Y379 HydrophobicContact CD2-CD1 4.27Å; L309-Y379 HydrophobicContact CD2-CD2 3.87Å; L309-Y379 HydrophobicContact CD2-CE2 4.21Å; L309-Y379 HydrophobicContact CD2-CG 3.93Å; L309-Y379 HydrophobicContact CG-CE2 4.41Å
310F97.3Very high97.1Very high39 Ų3920 Ų2017%0.17111%0.108CC..Hα-helixtrans-66.6-51-179.5-174-89.4000111.5L257 L261 W267 V271 M306 L307 L308 L312 N313 F315L257-F310 HydrophobicContact CD1-CD2 3.86Å; L257-F310 HydrophobicContact CD1-CE2 4.05Å; L257-F310 HydrophobicContact CD2-CB 4.25Å; L257-F310 HydrophobicContact CD2-CD2 4.03Å; L257-F310 HydrophobicContact CD2-CG 3.99Å; L261-F310 HydrophobicContact CD1-CD1 3.83Å; L261-F310 HydrophobicContact CD1-CE1 3.8Å; L261-F310 HydrophobicContact CD1-CZ 4.48Å; W267-F310 HydrophobicContact CB-CE1 3.77Å; W267-F310 HydrophobicContact CB-CZ 3.56Å; W267-F310 HydrophobicContact CD2-CZ 4.39Å; W267-F310 AromaticContact CE3-CE2 3.92Å; W267-F310 HydrophobicContact CE3-CE2 3.92Å; W267-F310 AromaticContact CE3-CZ 3.86Å; W267-F310 HydrophobicContact CE3-CZ 3.86Å; W267-F310 HydrophobicContact CG-CZ 4.36Å; V271-F310 HydrophobicContact CB-CD1 3.94Å; V271-F310 HydrophobicContact CB-CE1 4.31Å; V271-F310 HydrophobicContact CG1-CD1 3.93Å; V271-F310 HydrophobicContact CG1-CE1 4.15Å; V271-F310 HydrophobicContact CG2-CD1 4.02Å; M306-F310 WeakPolarHBondContact O-CB 3.49Å; M306-F310 PolarHBondContact O-N 2.99Å; L307-F310 PolarHBondContact O-N 2.92Å; L308-F310 VanDerWaalsContact C-N 3.29Å; L308-F310 PolarHBondContact O-N 3.48Å; F310-L312 PolarHBondContact O-N 3.21Å; F310-N313 PolarHBondContact O-N 2.67Å; F310-F315 HydrophobicContact CB-CB 4.18Å; F310-F315 HydrophobicContact CB-CG 4.47Å; F310-F315 HydrophobicContact CD2-CB 4.41Å; F310-F315 HydrophobicContact CD2-CD1 4.01Å
311G95.2Very high97.1Very high1 Ų122.2 Ų22.21%0.0112%0.123CC..Hα-helixtrans-71.3-6.8178.900000114.1H272 L307 Y414H272-G311 PolarHBondContact CE1-O 3.02Å; H272-G311 PolarHBondContact NE2-O 3.17Å; L307-G311 PolarHBondContact O-N 3.38Å; G311-Y414 WeakPolarHBondContact O-CE1 3.48Å; G311-Y414 PolarHBondContact O-OH 3.4Å; G311-Y414 VanDerWaalsContact O-OH 3.06Å
312L94.5Very high97.1Very high0 Ų022.5 Ų22.50%012%0.124CC..THydrogen-bonded Turntrans-101.78.6168.6-68.8165.1000112.2F279 L308 L309 F310 I314 I326 F328 I377 W390 L411 Y414F279-L312 HydrophobicContact CE1-CD1 4.47Å; F279-L312 HydrophobicContact CE1-CD2 3.99Å; F279-L312 HydrophobicContact CE1-CG 3.93Å; F279-L312 HydrophobicContact CZ-CG 4.49Å; L308-L312 VanDerWaalsContact O-CB 3.3Å; L308-L312 WeakPolarHBondContact O-CB 3.37Å; L308-L312 WeakPolarHBondContact O-CD1 3.39Å; L308-L312 VanDerWaalsContact O-CG 3.23Å; L308-L312 WeakPolarHBondContact O-CG 3.05Å; L308-L312 PolarHBondContact O-N 3.42Å; L309-L312 PolarHBondContact O-N 2.95Å; F310-L312 PolarHBondContact O-N 3.21Å; L312-I314 HydrophobicContact CB-CD1 3.86Å; L312-I314 HydrophobicContact CB-CG1 3.78Å; L312-I314 HydrophobicContact CD1-CD1 4.32Å; L312-I314 WeakPolarHBondContact O-CG2 3.49Å; L312-I314 PolarHBondContact O-N 3.33Å; L312-I326 HydrophobicContact CD1-CD1 3.95Å; L312-F328 HydrophobicContact CD1-CE1 3.54Å; L312-F328 HydrophobicContact CD1-CZ 3.55Å; L312-I377 HydrophobicContact CD1-CD1 3.98Å; L312-W390 HydrophobicContact CD2-CZ2 4.3Å; L312-W390 PolarHBondContact O-NE1 3.42Å; L312-L411 HydrophobicContact CD2-CD1 3.96Å; L312-Y414 HydrophobicContact CD2-CE1 4.41Å
313N92.9Very high97.1Very high82 Ų8222.1 Ų22.144%0.43912%0.124SC..THydrogen-bonded Turntrans52.141-178.3-166.454.7000113.3L309 F310L309-N313 PolarHBondContact O-N 3.35Å; F310-N313 PolarHBondContact O-N 2.67Å
314I94.7Very high97.2Very high19 Ų1921.6 Ų21.610%0.09712%0.12CC..  trans-131.110.3179.755.9174.7000112.5L309 L312 I326 I377 L384 L386 L389L309-I314 HydrophobicContact CB-CG1 4.36Å; L309-I314 HydrophobicContact CD2-CD1 3.8Å; L309-I314 HydrophobicContact CD2-CG1 3.93Å; L309-I314 VanDerWaalsContact O-CG1 3.28Å; L309-I314 WeakPolarHBondContact O-CG1 3.32Å; L309-I314 PolarHBondContact O-N 2.81Å; L312-I314 HydrophobicContact CB-CD1 3.86Å; L312-I314 HydrophobicContact CB-CG1 3.78Å; L312-I314 HydrophobicContact CD1-CD1 4.32Å; L312-I314 WeakPolarHBondContact O-CG2 3.49Å; L312-I314 PolarHBondContact O-N 3.33Å; I314-I326 HydrophobicContact CD1-CD1 4.21Å; I314-I377 HydrophobicContact CD1-CD1 4.14Å; I314-I377 HydrophobicContact CD1-CG2 4.02Å; I314-L384 HydrophobicContact CB-CD1 4.07Å; I314-L384 HydrophobicContact CD1-CD1 3.42Å; I314-L384 VanDerWaalsContact CD1-CD1 3.42Å; I314-L384 HydrophobicContact CG1-CD1 4.22Å; I314-L384 HydrophobicContact CG2-CD1 4.33Å; I314-L386 HydrophobicContact CG2-CD2 3.6Å; I314-L389 HydrophobicContact CB-CD1 4.35Å; I314-L389 HydrophobicContact CG2-CB 4.25Å; I314-L389 HydrophobicContact CG2-CD1 3.69Å
315F96.4Very high97.2Very high41 Ų4121.6 Ų21.618%0.1812%0.12CC..  trans-72.8129.5177.7-172.8-129.3000111.3L257 M306 L309 F310 G317 I318L257-F315 HydrophobicContact CD1-CD1 4.26Å; L257-F315 HydrophobicContact CD1-CE1 3.86Å; M306-F315 HydrophobicContact CG-CD2 4.34Å; M306-F315 HydrophobicContact CG-CE1 4.26Å; M306-F315 HydrophobicContact CG-CE2 3.63Å; M306-F315 HydrophobicContact CG-CZ 3.57Å; M306-F315 HydrophobicContact SD-CZ 4.05Å; L309-F315 HydrophobicContact CB-CB 3.98Å; L309-F315 HydrophobicContact CB-CD2 3.9Å; L309-F315 HydrophobicContact CB-CG 4.38Å; L309-F315 HydrophobicContact CD1-CD2 4.13Å; L309-F315 PolarHBondContact O-N 3.41Å; L309-F315 VanDerWaalsContact O-N 3.12Å; F310-F315 HydrophobicContact CB-CB 4.18Å; F310-F315 HydrophobicContact CB-CG 4.47Å; F310-F315 HydrophobicContact CD2-CB 4.41Å; F310-F315 HydrophobicContact CD2-CD1 4.01Å; F315-G317 VanDerWaalsContact C-N 3.32Å; F315-G317 VanDerWaalsContact CZ-C 3.48Å; F315-I318 WeakPolarHBondContact CE2-O 3.44Å
316D95Very high97.2Very high92 Ų9221.6 Ų21.649%0.49212%0.12SC..  trans-890.918063.4-2.8000113.2I318D316-I318 VanDerWaalsContact C-N 3.32Å; D316-I318 WeakPolarHBondContact OD1-CB 3.49Å; D316-I318 PolarHBondContact OD1-N 3.32Å
317G96.6Very high97.2Very high26 Ų2621.6 Ų21.627%0.26812%0.12SC..SBendtrans83.43.6-17700000114.1K250 F315K250-G317 WeakPolarHBondContact CA-O 3.41Å; F315-G317 VanDerWaalsContact C-N 3.32Å; F315-G317 VanDerWaalsContact CZ-C 3.48Å
318I97.9Very high97.2Very high65 Ų6521.6 Ų21.633%0.33312%0.12SC..SBendtrans-109.9130.9-173.6-56.4178.1000110.3H249 K250 F315 D316 P320H249-I318 HydrophobicContact CB-CG2 4.17Å; K250-I318 HydrophobicContact CG-CG1 4.41Å; F315-I318 WeakPolarHBondContact CE2-O 3.44Å; D316-I318 VanDerWaalsContact C-N 3.32Å; D316-I318 WeakPolarHBondContact OD1-CB 3.49Å; D316-I318 PolarHBondContact OD1-N 3.32Å; I318-P320 WeakPolarHBondContact O-CD 3.3Å
319W98.3Very high97.2Very high11 Ų1121.7 Ų21.74%0.04212%0.121CC..PPolyproline II helixtrans-55.4124177.3-165.4-62.9000112Y221 H249 C252 S253 L256 D302Y221-W319 HydrophobicContact CD2-CH2 4.17Å; Y221-W319 HydrophobicContact CG-CH2 4.15Å; Y221-W319 HydrophobicContact CG-CZ3 4.3Å; H249-W319 PolarHBondContact O-N 2.91Å; H249-W319 VanDerWaalsContact O-N 3.14Å; C252-W319 HydrophobicContact CB-CE3 3.75Å; C252-W319 HydrophobicContact CB-CZ3 3.78Å; C252-W319 WeakPolarHBondContact O-CZ3 3.31Å; S253-W319 WeakPolarHBondContact OG-CA 3.34Å; S253-W319 WeakPolarHBondContact OG-CB 3.46Å; S253-W319 PolarHBondContact OG-N 3.3Å; L256-W319 HydrophobicContact CB-CH2 4.27Å; L256-W319 HydrophobicContact CB-CZ3 3.95Å; L256-W319 HydrophobicContact CD1-CH2 4.46Å; L256-W319 HydrophobicContact CD2-CH2 3.53Å; L256-W319 HydrophobicContact CD2-CZ2 3.95Å; L256-W319 HydrophobicContact CD2-CZ3 3.88Å; L256-W319 HydrophobicContact CG-CH2 4.3Å; L256-W319 HydrophobicContact CG-CZ3 4.44Å; D302-W319 HydrophobicContact CB-CZ2 4.21Å; D302-W319 VanDerWaalsContact CB-NE1 3.29Å; D302-W319 WeakPolarHBondContact OD2-CZ2 3.28Å; D302-W319 PolarHBondContact OD2-NE1 3.09Å; D302-W319 VanDerWaalsContact OD2-NE1 3.1Å
320P98.3Very high97.2Very high0 Ų021.7 Ų21.70%012%0.12CC..PPolyproline II helixtrans-58.4129.8-177.1-25.733.8000112.7R15 I305 M306 L309 I318 A324R15-P320 PolarHBondContact NH1-O 3.43Å; I305-P320 HydrophobicContact CB-CB 4.27Å; I305-P320 HydrophobicContact CB-CG 4.11Å; I305-P320 HydrophobicContact CG2-CB 3.89Å; I305-P320 HydrophobicContact CG2-CG 3.82Å; M306-P320 HydrophobicContact CB-CG 4.09Å; L309-P320 HydrophobicContact CD1-CG 4.33Å; I318-P320 WeakPolarHBondContact O-CD 3.3Å; P320-A324 HydrophobicContact CB-CB 3.77Å
321P97.7Very high97Very high48 Ų4820.9 Ų20.931%0.31212%0.116SC..PPolyproline II helixtrans-63.7169-179.627.4-35.3000112.3R15 A324 L380R15-P321 VanDerWaalsContact CD-O 3.26Å; R15-P321 WeakPolarHBondContact CD-O 3.17Å; R15-P321 PolarHBondContact NH1-O 3.47Å; P321-A324 HydrophobicContact CG-CB 4.08Å; P321-A324 WeakPolarHBondContact O-CB 3.28Å; P321-A324 PolarHBondContact O-N 3.05Å; P321-A324 VanDerWaalsContact O-N 3.16Å; P321-L380 HydrophobicContact CG-CD1 4.11Å; P321-L380 HydrophobicContact CG-CD2 3.85Å
322F98.5Very high96.9Very high16 Ų1621.2 Ų21.27%0.0712%0.118CC..THydrogen-bonded Turntrans-59.4145.6172.2-70.2-61.2000110.1R15 G17 A18 R19 Y232 A324R15-F322 VanDerWaalsContact CZ-CD1 3.45Å; R15-F322 VanDerWaalsContact NH1-N 3.15Å; G17-F322 WeakPolarHBondContact O-CD1 3.41Å; A18-F322 VanDerWaalsContact CA-CG 3.49Å; A18-F322 HydrophobicContact CB-CB 4.31Å; A18-F322 HydrophobicContact CB-CD1 4.45Å; A18-F322 HydrophobicContact CB-CD2 3.63Å; A18-F322 HydrophobicContact CB-CE2 3.97Å; A18-F322 HydrophobicContact CB-CG 3.9Å; R19-F322 HydrophobicContact CG-CE1 4.24Å; Y232-F322 AromaticContact CD1-CD2 3.93Å; Y232-F322 HydrophobicContact CD1-CD2 3.93Å; Y232-F322 HydrophobicContact CD1-CE2 4.41Å; Y232-F322 HydrophobicContact CD2-CD2 4.3Å; Y232-F322 HydrophobicContact CD2-CE2 4.19Å; Y232-F322 AromaticContact CE1-CD2 3.91Å; Y232-F322 HydrophobicContact CE1-CD2 3.91Å; Y232-F322 HydrophobicContact CE2-CD2 4.29Å; Y232-F322 HydrophobicContact CE2-CE2 4.48Å; Y232-F322 HydrophobicContact CG-CD2 4.12Å; Y232-F322 HydrophobicContact CG-CE2 4.15Å; F322-A324 PolarHBondContact O-N 3.08Å; F322-A324 VanDerWaalsContact O-N 3.1Å
323A98.5Very high96.5Very high12 Ų1224 Ų2410%0.09914%0.136CC..THydrogen-bonded Turntrans55.919.2-172.800000115.4R15 H16 D90R15-A323 VanDerWaalsContact O-CA 3.3Å; R15-A323 WeakPolarHBondContact O-CA 3.43Å; H16-A323 PolarHBondContact O-N 3.39Å; H16-A323 VanDerWaalsContact O-N 3.11Å; D90-A323 HydrophobicContact CB-CB 3.67Å
324A98.8Very high95.8Very high0 Ų022.5 Ų22.50%013%0.131CC..  trans-59.5138.4170.600000111F14 R15 P320 P321 F322 Y379 L380F14-A324 CarbonylContact C-O 3.59Å; F14-A324 VanDerWaalsContact CA-O 3.23Å; F14-A324 WeakPolarHBondContact CA-O 3.14Å; R15-A324 HydrophobicContact CB-CB 4.49Å; R15-A324 PolarHBondContact N-O 3.37Å; P320-A324 HydrophobicContact CB-CB 3.77Å; P321-A324 HydrophobicContact CG-CB 4.08Å; P321-A324 WeakPolarHBondContact O-CB 3.28Å; P321-A324 PolarHBondContact O-N 3.05Å; P321-A324 VanDerWaalsContact O-N 3.16Å; F322-A324 PolarHBondContact O-N 3.08Å; F322-A324 VanDerWaalsContact O-N 3.1Å; A324-Y379 HydrophobicContact CB-CE2 4.49Å; A324-L380 HydrophobicContact CB-CD2 3.61Å
325D98.8Very high94.1Very high0 Ų027.6 Ų27.60%016%0.163CC..EExtended strand (participates in β ladder)trans-126.4143.3178.963.7-49.1000111.7V12 F13 F14 L94 R97 I327 Y379 L380V12-D325 HydrophobicContact CG1-CB 4.26Å; F13-D325 CarbonylContact O-C 3.53Å; F13-D325 VanDerWaalsContact O-CA 3.24Å; F13-D325 WeakPolarHBondContact O-CA 3.49Å; F14-D325 HydrophobicContact CB-CB 4.1Å; L94-D325 HydrophobicContact CD1-CB 4.11Å; R97-D325 IonicContact CZ-OD1 2.79Å; R97-D325 IonicContact CZ-OD2 3.13Å; R97-D325 IonicContact NH1-OD1 2.66Å; R97-D325 IonicContact NH1-OD2 2.62Å; R97-D325 PolarHBondContact NH1-OD2 2.86Å; R97-D325 IonicContact NH2-OD1 2.78Å; R97-D325 PolarHBondContact NH2-OD1 2.84Å; R97-D325 IonicContact NH2-OD2 3.41Å; R97-D325 PolarHBondContact NH2-OD2 2.91Å; R97-D325 VanDerWaalsContact NH2-OD2 3.16Å; D325-I327 WeakPolarHBondContact OD2-CD1 3.24Å; D325-I327 WeakPolarHBondContact OD2-CG1 3.45Å; D325-Y379 WeakPolarHBondContact O-CA 3.47Å; D325-Y379 WeakPolarHBondContact O-CD2 3.5Å; D325-L380 PolarHBondContact O-N 2.98Å; D325-L380 WeakPolarHBondContact OD1-CA 3.46Å
326I98.8Very high91.9Very high0 Ų029.6 Ų29.60%018%0.183CC..EExtended strand (participates in β ladder)trans-117.3123.8161.2-173.8175.7000107.8F13 I305 L308 L309 L312 I314 F328 I377 I378F13-I326 HydrophobicContact CB-CG2 3.79Å; F13-I326 PolarHBondContact N-O 3.08Å; F13-I326 PolarHBondContact O-N 3.07Å; I305-I326 HydrophobicContact CD1-CG2 3.86Å; L308-I326 HydrophobicContact CB-CD1 4.46Å; L308-I326 HydrophobicContact CD1-CG2 4Å; L309-I326 HydrophobicContact CD2-CD1 4Å; L312-I326 HydrophobicContact CD1-CD1 3.95Å; I314-I326 HydrophobicContact CD1-CD1 4.21Å; I326-F328 HydrophobicContact CD1-CE2 4.17Å; I326-F328 HydrophobicContact CD1-CZ 3.8Å; I326-F328 HydrophobicContact CG1-CE2 4.13Å; I326-F328 HydrophobicContact CG1-CZ 4.21Å; I326-F328 HydrophobicContact CG2-CE2 4.25Å; I326-I377 HydrophobicContact CD1-CG2 3.87Å; I326-I377 HydrophobicContact CG1-CG2 3.63Å; I326-I378 CarbonylContact C-O 3.55Å; I326-I378 WeakPolarHBondContact CA-O 3.2Å
327I98.8Very high89.1Confident0 Ų030.2 Ų30.20%019%0.194CC..EExtended strand (participates in β ladder)trans-114.7128.7-178.4-48.2170.7000108.9V10 Q11 V12 L98 Y102 D325 E329 I377 I378V10-I327 HydrophobicContact CG1-CG2 3.46Å; V10-I327 VanDerWaalsContact CG1-CG2 3.46Å; Q11-I327 CarbonylContact O-C 3.5Å; Q11-I327 WeakPolarHBondContact O-CA 3.32Å; V12-I327 HydrophobicContact CB-CG1 4.39Å; V12-I327 HydrophobicContact CG1-CG1 4.05Å; V12-I327 HydrophobicContact CG2-CD1 4.46Å; V12-I327 HydrophobicContact CG2-CG1 4.05Å; V12-I327 HydrophobicContact CG2-CG2 4.01Å; L98-I327 HydrophobicContact CD2-CD1 3.91Å; Y102-I327 HydrophobicContact CE2-CD1 4.38Å; Y102-I327 WeakPolarHBondContact OH-CG2 3.49Å; D325-I327 WeakPolarHBondContact OD2-CD1 3.24Å; D325-I327 WeakPolarHBondContact OD2-CG1 3.45Å; I327-E329 HydrophobicContact CG2-CG 4.09Å; I327-I377 CarbonylContact O-C 3.56Å; I327-I377 WeakPolarHBondContact O-CA 3.37Å; I327-I378 HydrophobicContact CB-CB 4.15Å; I327-I378 HydrophobicContact CD1-CB 4.5Å; I327-I378 HydrophobicContact CD1-CG2 4.45Å; I327-I378 PolarHBondContact N-O 2.82Å; I327-I378 PolarHBondContact O-N 2.71Å
328F98.5Very high86.3Confident1 Ų134.8 Ų34.80%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-102.8121.5168.7-54.5-98.8000109.1V10 Q11 F13 I282 M286 L312 I326 I377V10-F328 CarbonylContact C-O 3.5Å; V10-F328 WeakPolarHBondContact CA-O 3.38Å; Q11-F328 HydrophobicContact CB-CB 4.4Å; Q11-F328 PolarHBondContact N-O 3.01Å; Q11-F328 PolarHBondContact O-N 3.22Å; F13-F328 HydrophobicContact CD2-CD2 4.04Å; F13-F328 AromaticContact CD2-CE2 3.81Å; F13-F328 HydrophobicContact CD2-CE2 3.81Å; F13-F328 HydrophobicContact CE2-CD2 4.09Å; F13-F328 HydrophobicContact CE2-CE2 4.01Å; I282-F328 HydrophobicContact CD1-CE2 3.88Å; I282-F328 HydrophobicContact CD1-CZ 3.85Å; I282-F328 HydrophobicContact CG1-CE2 4.48Å; I282-F328 HydrophobicContact CG2-CD1 4.16Å; I282-F328 HydrophobicContact CG2-CD2 4.41Å; I282-F328 HydrophobicContact CG2-CE1 4.27Å; I282-F328 HydrophobicContact CG2-CG 4.24Å; I282-F328 HydrophobicContact CG2-CZ 4.46Å; M286-F328 HydrophobicContact CE-CB 3.28Å; M286-F328 HydrophobicContact CE-CD1 3.93Å; M286-F328 HydrophobicContact CE-CG 3.89Å; L312-F328 HydrophobicContact CD1-CE1 3.54Å; L312-F328 HydrophobicContact CD1-CZ 3.55Å; I326-F328 HydrophobicContact CD1-CE2 4.17Å; I326-F328 HydrophobicContact CD1-CZ 3.8Å; I326-F328 HydrophobicContact CG1-CE2 4.13Å; I326-F328 HydrophobicContact CG1-CZ 4.21Å; I326-F328 HydrophobicContact CG2-CE2 4.25Å; F328-I377 HydrophobicContact CD1-CD1 4.16Å; F328-I377 HydrophobicContact CD1-CG1 3.79Å; F328-I377 HydrophobicContact CE1-CD1 3.86Å; F328-I377 HydrophobicContact CE1-CG1 3.96Å
329E98Very high83Confident2 Ų237.7 Ų37.71%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-110.6128.1175.4-64.7-179.9156.300109.4L7 Q9 V10 Q101 Y102 I327 Y331 F375 R376 I378L7-E329 HydrophobicContact CD1-CB 3.82Å; L7-E329 HydrophobicContact CD1-CG 4.24Å; Q9-E329 WeakPolarHBondContact O-CA 3.19Å; V10-E329 HydrophobicContact CG2-CG 4.36Å; Q101-E329 PolarHBondContact NE2-OE1 3.28Å; Y102-E329 HydrophobicContact CE1-CG 4.36Å; Y102-E329 WeakPolarHBondContact CE1-OE1 3.37Å; Y102-E329 PolarHBondContact OH-OE1 3.13Å; I327-E329 HydrophobicContact CG2-CG 4.09Å; E329-Y331 HydrophobicContact CB-CD2 4.11Å; E329-Y331 HydrophobicContact CB-CE2 3.43Å; E329-Y331 VanDerWaalsContact CB-CE2 3.43Å; E329-Y331 HydrophobicContact CG-CE2 4.41Å; E329-Y331 WeakPolarHBondContact OE2-CE2 3.41Å; E329-Y331 PolarHBondContact OE2-OH 2.97Å; E329-F375 WeakPolarHBondContact O-CA 3.48Å; E329-F375 WeakPolarHBondContact O-CB 3.35Å; E329-R376 HydrophobicContact CB-CG 4.31Å; E329-R376 PolarHBondContact N-O 3.49Å; E329-R376 VanDerWaalsContact N-O 3.08Å; E329-R376 PolarHBondContact O-N 2.96Å; E329-R376 VanDerWaalsContact O-N 3.13Å; E329-R376 IonicContact OE1-NH2 3.7Å; E329-R376 IonicContact OE2-CZ 2.83Å; E329-R376 IonicContact OE2-NE 3.91Å; E329-R376 PolarHBondContact OE2-NE 3Å; E329-R376 IonicContact OE2-NH2 2.94Å; E329-R376 PolarHBondContact OE2-NH2 3.28Å; E329-I378 HydrophobicContact CG-CD1 4.31Å; E329-I378 WeakPolarHBondContact OE1-CD1 3.46Å
330L97.2Very high79.9Confident0 Ų042.6 Ų42.60%027%0.274CS..EExtended strand (participates in β ladder)trans-103.1132.3175.9-175.973.2000110L7 L8 Q9 M286 Y289 L373 F408L7-L330 WeakPolarHBondContact CD1-O 3.36Å; L8-L330 HydrophobicContact CB-CD2 4.43Å; L8-L330 WeakPolarHBondContact CB-O 3.47Å; L8-L330 PolarHBondContact N-O 3.46Å; Q9-L330 HydrophobicContact CB-CB 4.15Å; Q9-L330 PolarHBondContact N-O 3.22Å; Q9-L330 PolarHBondContact O-N 2.84Å; M286-L330 HydrophobicContact CB-CD1 4.3Å; M286-L330 HydrophobicContact CB-CD2 4.18Å; M286-L330 HydrophobicContact CG-CD1 4.43Å; M286-L330 VanDerWaalsContact O-CD2 3.31Å; M286-L330 WeakPolarHBondContact O-CD2 3.2Å; M286-L330 HydrophobicContact SD-CD1 4.41Å; Y289-L330 HydrophobicContact CD1-CD2 3.71Å; Y289-L330 HydrophobicContact CE1-CD2 4.42Å; Y289-L330 HydrophobicContact CG-CD2 3.81Å; L330-L373 HydrophobicContact CD1-CB 4.29Å; L330-L373 HydrophobicContact CD1-CD1 4.45Å; L330-F408 HydrophobicContact CD1-CB 4.47Å; L330-F408 HydrophobicContact CD1-CD2 4.15Å; L330-F408 HydrophobicContact CD1-CG 4.32Å
331Y94.8Very high76.6Confident22 Ų2247.3 Ų47.39%0.08631%0.307CS..EExtended strand (participates in β ladder)trans-127.1160.3-176.2-73.1-96.5000111.8M5 K6 L7 E329 L373 W374 R376 F405M5-Y331 HydrophobicContact CB-CD1 3.98Å; K6-Y331 CarbonylContact O-C 3.55Å; K6-Y331 VanDerWaalsContact O-CA 3.25Å; K6-Y331 WeakPolarHBondContact O-CA 3.31Å; L7-Y331 HydrophobicContact CB-CD1 4.09Å; L7-Y331 HydrophobicContact CB-CE1 3.68Å; L7-Y331 HydrophobicContact CD1-CD1 4.41Å; L7-Y331 HydrophobicContact CD1-CD2 4.17Å; L7-Y331 HydrophobicContact CD1-CE1 3.98Å; L7-Y331 HydrophobicContact CD1-CE2 3.75Å; L7-Y331 HydrophobicContact CG-CE1 4.38Å; E329-Y331 HydrophobicContact CB-CD2 4.11Å; E329-Y331 HydrophobicContact CB-CE2 3.43Å; E329-Y331 VanDerWaalsContact CB-CE2 3.43Å; E329-Y331 HydrophobicContact CG-CE2 4.41Å; E329-Y331 WeakPolarHBondContact OE2-CE2 3.41Å; E329-Y331 PolarHBondContact OE2-OH 2.97Å; Y331-L373 WeakPolarHBondContact O-CA 3.43Å; Y331-W374 PolarHBondContact N-O 3.05Å; Y331-W374 PolarHBondContact O-N 3.05Å; Y331-R376 HydrophobicContact CE2-CG 4.25Å; Y331-R376 PolarHBondContact OH-NH2 3.45Å; Y331-F405 HydrophobicContact CD1-CE1 4.22Å; Y331-F405 HydrophobicContact CD2-CD1 4.29Å; Y331-F405 AromaticContact CD2-CE1 3.5Å; Y331-F405 HydrophobicContact CD2-CE1 3.5Å; Y331-F405 HydrophobicContact CD2-CZ 4.44Å; Y331-F405 HydrophobicContact CE1-CE1 4.29Å; Y331-F405 HydrophobicContact CE1-CZ 4.43Å; Y331-F405 AromaticContact CE2-CE1 3.54Å; Y331-F405 HydrophobicContact CE2-CE1 3.54Å; Y331-F405 HydrophobicContact CE2-CZ 4.09Å; Y331-F405 AromaticContact CG-CE1 3.83Å; Y331-F405 HydrophobicContact CG-CE1 3.83Å; Y331-F405 AromaticContact CZ-CE1 3.96Å
332T92.3Very high73.1Confident9 Ų950.7 Ų50.76%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-129.7145166.3-1740000113.6M5 K6 L8 S334 H372M5-T332 CarbonylContact C-O 3.59Å; M5-T332 VanDerWaalsContact CA-O 3.25Å; M5-T332 WeakPolarHBondContact CA-O 3.24Å; K6-T332 HydrophobicContact CB-CG2 4.09Å; K6-T332 PolarHBondContact N-O 2.82Å; K6-T332 PolarHBondContact O-N 3.43Å; L8-T332 HydrophobicContact CD1-CG2 3.69Å; L8-T332 HydrophobicContact CD2-CG2 3.87Å; L8-T332 HydrophobicContact CG-CG2 3.9Å; T332-S334 PolarHBondContact OG1-N 3.48Å; T332-H372 WeakPolarHBondContact CA-O 3.34Å; T332-H372 PolarHBondContact OG1-CD2 3.28Å; T332-H372 PolarHBondContact OG1-O 3.14Å
333T85.9Confident69.7Low59 Ų5955.4 Ų55.436%0.36236%0.362SS..  trans-88.3-10.8167.853.60000113.4M5 T335 H372M5-T333 HydrophobicContact CG-CG2 3.6Å; M5-T333 HydrophobicContact SD-CG2 3.84Å; T333-T335 PolarHBondContact O-N 2.76Å; T333-T335 VanDerWaalsContact O-N 3.14Å; T333-H372 PolarHBondContact N-O 2.82Å; T333-H372 VanDerWaalsContact N-O 3.08Å; T333-H372 PolarHBondContact OG1-O 3.26Å
334S77.6Confident66.1Low49 Ų4960.8 Ų60.834%0.34340%0.399SS..  trans-71.6111.2179.6-170.70000109.3T332 S336T332-S334 PolarHBondContact OG1-N 3.48Å; S334-S336 PolarHBondContact O-N 3.16Å; S334-S336 VanDerWaalsContact O-N 3.08Å; S334-S336 PolarHBondContact OG-OG 3.45Å
335T60Low62.7Low126 Ų12667.2 Ų67.277%0.77344%0.438SS*.  trans-75.614.7174.854.80000112.8T333 S337T333-T335 PolarHBondContact O-N 2.76Å; T333-T335 VanDerWaalsContact O-N 3.14Å; T335-S337 VanDerWaalsContact C-N 3.3Å; T335-S337 PolarHBondContact O-N 2.84Å
336S49.8Very low59.3Low84 Ų8472 Ų7259%0.58747%0.472SS*.  trans-47.797.2-177.9-67.80000110S334 T338S334-S336 PolarHBondContact O-N 3.16Å; S334-S336 VanDerWaalsContact O-N 3.08Å; S334-S336 PolarHBondContact OG-OG 3.45Å; S336-T338 PolarHBondContact O-N 3.04Å
337S36.7Very low55.9Low105 Ų10577.8 Ų77.873%0.73451%0.512SS*.  trans-73.27317352.20000105.5T335 T339T335-S337 VanDerWaalsContact C-N 3.3Å; T335-S337 PolarHBondContact O-N 2.84Å; S337-T339 PolarHBondContact O-N 3.17Å
338T37.4Very low52.6Low121 Ų12182.7 Ų82.774%0.74255%0.546SS*.  trans-68.788164.225.10000106S336 S340S336-T338 PolarHBondContact O-N 3.04Å; T338-S340 PolarHBondContact O-N 3.1Å
339T29.6Very low49.3Very low127 Ų12791.3 Ų91.378%0.77959%0.587SS**  trans-39.998146.237.50000106.7S337 S341S337-T339 PolarHBondContact O-N 3.17Å; T339-S341 PolarHBondContact O-N 2.9Å
340S32.1Very low46.1Very low113 Ų11397.2 Ų97.279%0.7962%0.618SS**  trans-65.289.3171.222.60000106.6T338 S342T338-S340 PolarHBondContact O-N 3.1Å; S340-S342 VanDerWaalsContact C-N 3.34Å; S340-S342 PolarHBondContact O-N 3.25Å
341S28.4Very low43Very low99 Ų99102.2 Ų102.269%0.69265%0.653SS**  trans-56.5107.5154.350.70000106T339 T343T339-S341 PolarHBondContact O-N 2.9Å; S341-T343 PolarHBondContact O-N 3.35Å; S341-T343 PolarHBondContact O-OG1 2.84Å
342S25Very low40.1Very low120 Ų120104.2 Ų104.284%0.83967%0.668SS**  trans-51.999.4173.650.30000110.1S340S340-S342 VanDerWaalsContact C-N 3.34Å; S340-S342 PolarHBondContact O-N 3.25Å
343T26.8Very low37.7Very low115 Ų115107.3 Ų107.371%0.70668%0.683SS**  trans-119.310515813.20000106.1S341 T345S341-T343 PolarHBondContact O-N 3.35Å; S341-T343 PolarHBondContact O-OG1 2.84Å; T343-T345 PolarHBondContact O-N 3.39Å
344S23.5Very low35.4Very low124 Ų124113.2 Ų113.287%0.86770%0.703SS**  trans-55.797171.848.80000110
345T26.8Very low33.5Very low135 Ų135114.8 Ų114.883%0.82871%0.714SS**  trans-93.7118.9163.117.40000108.8T343T343-T345 PolarHBondContact O-N 3.39Å
346S26.9Very low32.2Very low102 Ų102113.9 Ų113.971%0.71370%0.704SS**  trans-43.2145.5172.747.90000113.1S348S346-S348 PolarHBondContact O-N 2.94Å
347S28.6Very low31.5Very low121 Ų121114.1 Ų114.185%0.84670%0.703SS**  trans-34.492.916650.20000112.8
348S29.3Very low31.5Very low102 Ų102110.9 Ų110.971%0.71368%0.678SS**  trans-83.8110.8165.81680000106.6S346 L350S346-S348 PolarHBondContact O-N 2.94Å; S348-L350 PolarHBondContact O-N 3.26Å
349E30Very low31.5Very low183 Ų183112.3 Ų112.386%0.85568%0.676SS**  trans-47.5121.1170.9-67.2174.9159.900109.9S351E349-S351 PolarHBondContact O-N 3.41Å
350L29.9Very low31.9Very low126 Ų126109.8 Ų109.866%0.6666%0.663SS**  trans-69.8110.4174.3-116.874.3000107.7P293 S348P293-L350 HydrophobicContact CG-CD2 4.3Å; S348-L350 PolarHBondContact O-N 3.26Å
351S31Very low32.2Very low105 Ų105112 Ų11273%0.73467%0.667SS**  trans-73.9146.5176.355.40000111.8E349E349-S351 PolarHBondContact O-N 3.41Å
352P35.1Very low32.7Very low63 Ų63110.9 Ų110.941%0.40965%0.653SS.*  trans-69.9144-176.6-12.729.3000112.2I55 Q58 K354I55-P352 HydrophobicContact CG2-CB 4.29Å; I55-P352 WeakPolarHBondContact O-CB 3.27Å; Q58-P352 HydrophobicContact CG-CB 4.44Å; Q58-P352 HydrophobicContact CG-CG 3.42Å; Q58-P352 VanDerWaalsContact CG-CG 3.42Å; Q58-P352 VanDerWaalsContact NE2-CG 3.26Å; P352-K354 PolarHBondContact O-N 2.84Å
353M40.9Very low33.6Very low74 Ų74109.5 Ų109.537%0.36564%0.643SS.*  trans-83.5110.2-172.3-152160.5104.200111.9L281L281-M353 HydrophobicContact CD1-CE 3.36Å
354K38.4Very low34.5Very low183 Ų183107.4 Ų107.480%0.79663%0.633SS**  trans-78.8142.6147.9-79.3178.5176.2177.90107.6P352 I356P352-K354 PolarHBondContact O-N 2.84Å; K354-I356 PolarHBondContact O-N 3.11Å
355S37.4Very low35.2Very low82 Ų82107.2 Ų107.257%0.57362%0.621SS**  trans-49.5107.8170.241.80000109.2P357S355-P357 VanDerWaalsContact O-CD 3.31Å; S355-P357 WeakPolarHBondContact O-CD 3.35Å
356I32.8Very low36.4Very low107 Ų107102.4 Ų102.455%0.54959%0.59SS.*  trans-70.3120.4170.7-61.2173.2000105N284 K354 L358N284-I356 PolarHBondContact ND2-O 3.24Å; N284-I356 VanDerWaalsContact ND2-O 3.13Å; K354-I356 PolarHBondContact O-N 3.11Å; I356-L358 PolarHBondContact O-N 3.24Å
357P34.2Very low37.6Very low89 Ų89101 Ų10158%0.57858%0.575SS**  trans-57.3139.2175.1-19.430.8000108.9S355 H359S355-P357 VanDerWaalsContact O-CD 3.31Å; S355-P357 WeakPolarHBondContact O-CD 3.35Å; P357-H359 HydrophobicContact CB-CB 4.32Å; P357-H359 PolarHBondContact O-N 2.93Å
358L37.6Very low38.9Very low38 Ų38101.8 Ų101.820%0.19957%0.57CS.*SBendtrans-69.855.3171.5-14288.7000109.6I287 I356 Y412I287-L358 HydrophobicContact CD1-CD1 4.32Å; I356-L358 PolarHBondContact O-N 3.24Å; L358-Y412 HydrophobicContact CD1-CE2 4.41Å; L358-Y412 HydrophobicContact CD2-CE2 3.81Å; L358-Y412 WeakPolarHBondContact CD2-OH 3.39Å; L358-Y412 HydrophobicContact CG-CE2 4.38Å
359H37.4Very low40.7Very low150 Ų150101.4 Ų101.469%0.69456%0.56SS**  trans-134.748.2-176.7-67.5-51.5000110.1P357 N361P357-H359 HydrophobicContact CB-CB 4.32Å; P357-H359 PolarHBondContact O-N 2.93Å; H359-N361 PolarHBondContact O-N 2.76Å
360S39.1Very low43Very low75 Ų7593.2 Ų93.252%0.52452%0.522SS..  trans-78.1106.2145.355.70000105.8D362 I366S360-D362 PolarHBondContact O-N 3.09Å; S360-I366 WeakPolarHBondContact OG-CD1 3.42Å
361N37.8Very low45.4Very low160 Ų16091.9 Ų91.986%0.85652%0.515SS*.SBendtrans-584.5174.9-85-12.5000114.3H359H359-N361 PolarHBondContact O-N 2.76Å
362D38.4Very low48.1Very low75 Ų7588.7 Ų88.740%0.40149%0.489SS..  trans-101.869.8175.1-147.2-19.5000110.1S360 S364 L365S360-D362 PolarHBondContact O-N 3.09Å; D362-S364 PolarHBondContact O-N 2.81Å; D362-S364 PolarHBondContact OD1-OG 3.31Å; D362-L365 HydrophobicContact CB-CB 4.42Å; D362-L365 HydrophobicContact CB-CD1 4.07Å; D362-L365 HydrophobicContact CB-CG 4.36Å; D362-L365 PolarHBondContact O-N 2.97Å; D362-L365 WeakPolarHBondContact OD2-CD1 3.35Å
363S44.1Very low50.8Low91 Ų9185.8 Ų85.864%0.63647%0.469SS*.Hα-helixtrans-57.3-24.9173.555.90000112I366 D367S363-I366 PolarHBondContact O-N 2.89Å; S363-D367 PolarHBondContact O-N 3.31Å; S363-D367 VanDerWaalsContact O-N 3.09Å
364S45.1Very low53.3Low70 Ų7083.5 Ų83.549%0.4946%0.457SS..Hα-helixtrans-67.3-42179.781.10000112.7D362 I366 D367 D368D362-S364 PolarHBondContact O-N 2.81Å; D362-S364 PolarHBondContact OD1-OG 3.31Å; S364-I366 VanDerWaalsContact C-N 3.32Å; S364-I366 PolarHBondContact O-N 3.34Å; S364-D367 PolarHBondContact O-N 3.27Å; S364-D367 VanDerWaalsContact O-N 3.15Å; S364-D368 PolarHBondContact O-N 2.86Å
365L39.1Very low56Low120 Ų12074.8 Ų74.863%0.62842%0.419SS*.Hα-helixtrans-70.2-28.8177.7-73.3175.6000112.9D362D362-L365 HydrophobicContact CB-CB 4.42Å; D362-L365 HydrophobicContact CB-CD1 4.07Å; D362-L365 HydrophobicContact CB-CG 4.36Å; D362-L365 PolarHBondContact O-N 2.97Å; D362-L365 WeakPolarHBondContact OD2-CD1 3.35Å
366I51.3Low58.7Low35 Ų3571.8 Ų71.818%0.17940%0.395CS..Hα-helixtrans-69.6-39.8171.6-64.7166.1000109.3S360 S363 S364 N369 L370S360-I366 WeakPolarHBondContact OG-CD1 3.42Å; S363-I366 PolarHBondContact O-N 2.89Å; S364-I366 VanDerWaalsContact C-N 3.32Å; S364-I366 PolarHBondContact O-N 3.34Å; I366-N369 PolarHBondContact O-N 3.48Å; I366-L370 HydrophobicContact CG2-CD1 3.37Å; I366-L370 HydrophobicContact CG2-CG 4.09Å; I366-L370 WeakPolarHBondContact O-CG 3.49Å; I366-L370 PolarHBondContact O-N 3.19Å
367D52.8Low61.8Low73 Ų7366.7 Ų66.739%0.3937%0.369SS..Hα-helixtrans-65.2-52.7-170.4-138.7-1000112.3S363 S364 N369 L370 K409S363-D367 PolarHBondContact O-N 3.31Å; S363-D367 VanDerWaalsContact O-N 3.09Å; S364-D367 PolarHBondContact O-N 3.27Å; S364-D367 VanDerWaalsContact O-N 3.15Å; D367-N369 PolarHBondContact O-N 3.04Å; D367-L370 PolarHBondContact O-N 2.91Å; D367-K409 WeakPolarHBondContact O-CE 3.41Å; D367-K409 PolarHBondContact O-NZ 3.14Å; D367-K409 WeakPolarHBondContact OD1-CD 3.41Å; D367-K409 WeakPolarHBondContact OD1-CE 3.45Å; D367-K409 IonicContact OD1-NZ 3.61Å; D367-K409 PolarHBondContact OD1-NZ 2.89Å
368D54.9Low64.8Low137 Ų13762.6 Ų62.673%0.73334%0.342SS*.Hα-helixtrans-64.3-29-177.5-75.1-15.4000113S364 L370S364-D368 PolarHBondContact O-N 2.86Å; D368-L370 VanDerWaalsContact C-N 3.33Å; D368-L370 PolarHBondContact O-N 2.9Å
369N68.1Low67.7Low94 Ų9461.8 Ų61.850%0.50334%0.337SS..Hα-helixtrans-82.8-7.6-176.5-1582.6000113I366 D367 H372I366-N369 PolarHBondContact O-N 3.48Å; D367-N369 PolarHBondContact O-N 3.04Å; N369-H372 PolarHBondContact O-CE1 3.39Å; N369-H372 PolarHBondContact O-ND1 2.98Å
370L77.1Confident70.6Confident11 Ų1158 Ų586%0.05832%0.321CS..Hα-helixtrans-105.9-8.6-177.2-62.4-180000114.3I366 D367 D368 H372 L373 F408 K409I366-L370 HydrophobicContact CG2-CD1 3.37Å; I366-L370 HydrophobicContact CG2-CG 4.09Å; I366-L370 WeakPolarHBondContact O-CG 3.49Å; I366-L370 PolarHBondContact O-N 3.19Å; D367-L370 PolarHBondContact O-N 2.91Å; D368-L370 VanDerWaalsContact C-N 3.33Å; D368-L370 PolarHBondContact O-N 2.9Å; L370-H372 PolarHBondContact O-N 3.49Å; L370-L373 HydrophobicContact CD2-CD1 3.6Å; L370-L373 WeakPolarHBondContact O-CB 3.49Å; L370-L373 PolarHBondContact O-N 2.84Å; L370-F408 HydrophobicContact CB-CD1 4.23Å; L370-F408 HydrophobicContact CD1-CD1 3.8Å; L370-F408 HydrophobicContact CD1-CE1 3.67Å; L370-F408 HydrophobicContact CD2-CD1 3.74Å; L370-F408 HydrophobicContact CD2-CE1 3.75Å; L370-F408 HydrophobicContact CG-CD1 4.11Å; L370-F408 HydrophobicContact CG-CE1 4.25Å; L370-K409 HydrophobicContact CB-CG 3.9Å
371D81.9Confident73.3Confident97 Ų9755.9 Ų55.952%0.51931%0.31SS..THydrogen-bonded Turntrans-63.9-27.8-177-79-43.9000114L373 K409D371-L373 VanDerWaalsContact C-N 3.28Å; D371-L373 PolarHBondContact O-N 3.38Å; D371-K409 VanDerWaalsContact CG-CE 3.44Å; D371-K409 WeakPolarHBondContact OD1-CD 3.4Å; D371-K409 WeakPolarHBondContact OD1-CE 3.46Å; D371-K409 IonicContact OD1-NZ 2.76Å; D371-K409 PolarHBondContact OD1-NZ 3.44Å; D371-K409 IonicContact OD2-NZ 3.54Å; D371-K409 PolarHBondContact OD2-NZ 2.85Å
372H86.1Confident76Confident39 Ų3955.5 Ų55.518%0.18130%0.301CS..THydrogen-bonded Turntrans-83.2-1.7177.472.9-64.5000113.6T332 T333 N369 L370T332-H372 WeakPolarHBondContact CA-O 3.34Å; T332-H372 PolarHBondContact OG1-CD2 3.28Å; T332-H372 PolarHBondContact OG1-O 3.14Å; T333-H372 PolarHBondContact N-O 2.82Å; T333-H372 VanDerWaalsContact N-O 3.08Å; T333-H372 PolarHBondContact OG1-O 3.26Å; N369-H372 PolarHBondContact O-CE1 3.39Å; N369-H372 PolarHBondContact O-ND1 2.98Å; L370-H372 PolarHBondContact O-N 3.49Å
373L92.5Very high78.7Confident1 Ų154.8 Ų54.81%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-103.9136.5-174.3-61.8-176.5000112.4L8 Y289 L330 Y331 L370 D371 F408L8-L373 HydrophobicContact CD1-CD2 3.66Å; Y289-L373 HydrophobicContact CD1-CD1 4.5Å; Y289-L373 HydrophobicContact CE1-CD1 3.99Å; Y289-L373 HydrophobicContact CE1-CD2 4.04Å; L330-L373 HydrophobicContact CD1-CB 4.29Å; L330-L373 HydrophobicContact CD1-CD1 4.45Å; Y331-L373 WeakPolarHBondContact O-CA 3.43Å; L370-L373 HydrophobicContact CD2-CD1 3.6Å; L370-L373 WeakPolarHBondContact O-CB 3.49Å; L370-L373 PolarHBondContact O-N 2.84Å; D371-L373 VanDerWaalsContact C-N 3.28Å; D371-L373 PolarHBondContact O-N 3.38Å; L373-F408 HydrophobicContact CB-CB 3.77Å; L373-F408 HydrophobicContact CB-CG 4.43Å; L373-F408 HydrophobicContact CD1-CD1 4.39Å; L373-F408 PolarHBondContact O-N 3.36Å
374W93.1Very high81.1Confident26 Ų2652 Ų5210%0.09828%0.278CS..EExtended strand (participates in β ladder)trans-129.8155.3179.6-65.973.2000108.8M5 Y331 L400 F405 I406 P407M5-W374 HydrophobicContact SD-CB 3.77Å; M5-W374 HydrophobicContact SD-CD2 4.32Å; M5-W374 HydrophobicContact SD-CG 3.72Å; Y331-W374 PolarHBondContact N-O 3.05Å; Y331-W374 PolarHBondContact O-N 3.05Å; W374-L400 HydrophobicContact CD2-CD1 4.05Å; W374-L400 HydrophobicContact CE3-CD1 3.67Å; W374-L400 HydrophobicContact CH2-CD1 3.95Å; W374-L400 HydrophobicContact CZ2-CD1 4.31Å; W374-L400 HydrophobicContact CZ3-CD1 3.62Å; W374-F405 HydrophobicContact CE3-CB 4.21Å; W374-I406 CarbonylContact C-O 3.51Å; W374-I406 WeakPolarHBondContact CA-O 3.43Å; W374-P407 HydrophobicContact CE3-CG 4.15Å; W374-P407 HydrophobicContact CH2-CG 3.88Å; W374-P407 HydrophobicContact CZ2-CG 4.34Å; W374-P407 HydrophobicContact CZ3-CG 3.76Å
375F94.3Very high83.3Confident0 Ų053.1 Ų53.10%028%0.279CS..EExtended strand (participates in β ladder)trans-139.3161.4172.682.5-73.5000110.9E329 I377 L386 W390 F405 I406 L411E329-F375 WeakPolarHBondContact O-CA 3.48Å; E329-F375 WeakPolarHBondContact O-CB 3.35Å; F375-I377 HydrophobicContact CD2-CG1 4.19Å; F375-I377 HydrophobicContact CE2-CD1 3.92Å; F375-I377 HydrophobicContact CE2-CG1 3.9Å; F375-L386 HydrophobicContact CD2-CD1 4.39Å; F375-L386 HydrophobicContact CE2-CD1 3.55Å; F375-L386 HydrophobicContact CZ-CD1 3.83Å; F375-W390 AromaticContact CZ-CH2 3.95Å; F375-W390 HydrophobicContact CZ-CH2 3.95Å; F375-W390 HydrophobicContact CZ-CZ3 4.05Å; F375-F405 WeakPolarHBondContact O-CA 3.33Å; F375-I406 HydrophobicContact CD1-CB 4.05Å; F375-I406 HydrophobicContact CD1-CG2 4.45Å; F375-I406 VanDerWaalsContact CD1-O 3.31Å; F375-I406 WeakPolarHBondContact CD1-O 3.31Å; F375-I406 HydrophobicContact CE1-CB 3.45Å; F375-I406 VanDerWaalsContact CE1-CB 3.45Å; F375-I406 HydrophobicContact CE1-CG1 4.34Å; F375-I406 HydrophobicContact CE1-CG2 3.58Å; F375-I406 HydrophobicContact CZ-CB 3.94Å; F375-I406 HydrophobicContact CZ-CG1 4.36Å; F375-I406 HydrophobicContact CZ-CG2 4.17Å; F375-I406 PolarHBondContact N-O 3.48Å; F375-I406 PolarHBondContact O-N 2.92Å; F375-L411 HydrophobicContact CD1-CB 4.06Å; F375-L411 HydrophobicContact CD1-CD2 4.31Å; F375-L411 HydrophobicContact CD2-CD2 3.98Å; F375-L411 HydrophobicContact CE1-CB 3.44Å; F375-L411 VanDerWaalsContact CE1-CB 3.44Å; F375-L411 HydrophobicContact CE1-CD2 4.26Å; F375-L411 HydrophobicContact CE1-CG 4.37Å; F375-L411 HydrophobicContact CE2-CB 4.29Å; F375-L411 HydrophobicContact CE2-CD1 4.29Å; F375-L411 HydrophobicContact CE2-CD2 3.93Å; F375-L411 HydrophobicContact CE2-CG 4.41Å; F375-L411 HydrophobicContact CG-CD2 4.18Å; F375-L411 HydrophobicContact CZ-CB 3.6Å; F375-L411 HydrophobicContact CZ-CD1 4.15Å; F375-L411 HydrophobicContact CZ-CD2 4.09Å; F375-L411 HydrophobicContact CZ-CG 4.16Å
376R95Very high85.5Confident20 Ų2047.4 Ų47.48%0.07525%0.249CC..EExtended strand (participates in β ladder)trans-137.9160.5162.767.4178.6-175.7-163.8-6.2110.1E2 E329 Y331 S404 F405E2-R376 IonicContact OE1-CZ 3.97Å; E2-R376 IonicContact OE1-NH1 2.76Å; E2-R376 PolarHBondContact OE1-NH1 3.16Å; E329-R376 HydrophobicContact CB-CG 4.31Å; E329-R376 PolarHBondContact N-O 3.49Å; E329-R376 VanDerWaalsContact N-O 3.08Å; E329-R376 PolarHBondContact O-N 2.96Å; E329-R376 VanDerWaalsContact O-N 3.13Å; E329-R376 IonicContact OE1-NH2 3.7Å; E329-R376 IonicContact OE2-CZ 2.83Å; E329-R376 IonicContact OE2-NE 3.91Å; E329-R376 PolarHBondContact OE2-NE 3Å; E329-R376 IonicContact OE2-NH2 2.94Å; E329-R376 PolarHBondContact OE2-NH2 3.28Å; Y331-R376 HydrophobicContact CE2-CG 4.25Å; Y331-R376 PolarHBondContact OH-NH2 3.45Å; R376-S404 VanDerWaalsContact CB-O 3.3Å; R376-S404 WeakPolarHBondContact CB-O 3.49Å; R376-F405 HydrophobicContact CB-CD1 4.29Å; R376-F405 HydrophobicContact CG-CD1 4.47Å; R376-F405 HydrophobicContact CG-CE1 4.19Å; R376-F405 HydrophobicContact CG-CZ 4.47Å
377I97.5Very high87Confident0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-112.8133.8174.4-64.2167.9000108.4L312 I314 I326 I327 F328 F375 L384 L386L312-I377 HydrophobicContact CD1-CD1 3.98Å; I314-I377 HydrophobicContact CD1-CD1 4.14Å; I314-I377 HydrophobicContact CD1-CG2 4.02Å; I326-I377 HydrophobicContact CD1-CG2 3.87Å; I326-I377 HydrophobicContact CG1-CG2 3.63Å; I327-I377 CarbonylContact O-C 3.56Å; I327-I377 WeakPolarHBondContact O-CA 3.37Å; F328-I377 HydrophobicContact CD1-CD1 4.16Å; F328-I377 HydrophobicContact CD1-CG1 3.79Å; F328-I377 HydrophobicContact CE1-CD1 3.86Å; F328-I377 HydrophobicContact CE1-CG1 3.96Å; F375-I377 HydrophobicContact CD2-CG1 4.19Å; F375-I377 HydrophobicContact CE2-CD1 3.92Å; F375-I377 HydrophobicContact CE2-CG1 3.9Å; I377-L384 HydrophobicContact CB-CD1 4.35Å; I377-L384 HydrophobicContact CG2-CD1 3.8Å; I377-L384 PolarHBondContact O-N 2.96Å; I377-L386 HydrophobicContact CB-CD1 4.11Å; I377-L386 HydrophobicContact CB-CD2 4.5Å; I377-L386 HydrophobicContact CD1-CD1 3.88Å; I377-L386 HydrophobicContact CD1-CD2 4.08Å; I377-L386 HydrophobicContact CG1-CD1 3.92Å
378I98.1Very high88.3Confident2 Ų247 Ų471%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-114.7126.5173.2-55.4175.8000107.4I326 I327 E329 K382 P383I326-I378 CarbonylContact C-O 3.55Å; I326-I378 WeakPolarHBondContact CA-O 3.2Å; I327-I378 HydrophobicContact CB-CB 4.15Å; I327-I378 HydrophobicContact CD1-CB 4.5Å; I327-I378 HydrophobicContact CD1-CG2 4.45Å; I327-I378 PolarHBondContact N-O 2.82Å; I327-I378 PolarHBondContact O-N 2.71Å; E329-I378 HydrophobicContact CG-CD1 4.31Å; E329-I378 WeakPolarHBondContact OE1-CD1 3.46Å; I378-K382 WeakPolarHBondContact CA-O 3.41Å; I378-P383 HydrophobicContact CG1-CB 4.47Å; I378-P383 HydrophobicContact CG1-CG 4.31Å
379Y98.3Very high89.6Confident22 Ų2243.9 Ų43.99%0.08624%0.235CC..EExtended strand (participates in β ladder)trans-120.2129.1174.8176.5-123.8000109.5I305 L309 A324 D325 G381 K382I305-Y379 HydrophobicContact CG2-CE2 4.01Å; L309-Y379 HydrophobicContact CD1-CD2 4.13Å; L309-Y379 HydrophobicContact CD1-CE1 4.08Å; L309-Y379 HydrophobicContact CD1-CE2 3.6Å; L309-Y379 HydrophobicContact CD2-CD1 4.27Å; L309-Y379 HydrophobicContact CD2-CD2 3.87Å; L309-Y379 HydrophobicContact CD2-CE2 4.21Å; L309-Y379 HydrophobicContact CD2-CG 3.93Å; L309-Y379 HydrophobicContact CG-CE2 4.41Å; A324-Y379 HydrophobicContact CB-CE2 4.49Å; D325-Y379 WeakPolarHBondContact O-CA 3.47Å; D325-Y379 WeakPolarHBondContact O-CD2 3.5Å; Y379-G381 PolarHBondContact O-N 3.14Å; Y379-K382 PolarHBondContact N-O 3.4Å; Y379-K382 PolarHBondContact O-N 2.97Å
380L97.6Very high90.4Very high71 Ų7141 Ų4137%0.37222%0.217SC..THydrogen-bonded Turntrans52.338.7-176.1-58.7176.3000112.9P321 A324 D325 K382P321-L380 HydrophobicContact CG-CD1 4.11Å; P321-L380 HydrophobicContact CG-CD2 3.85Å; A324-L380 HydrophobicContact CB-CD2 3.61Å; D325-L380 PolarHBondContact O-N 2.98Å; D325-L380 WeakPolarHBondContact OD1-CA 3.46Å; L380-K382 VanDerWaalsContact C-N 3.25Å; L380-K382 PolarHBondContact O-N 3.25Å
381G96.2Very high90.6Very high29 Ų2947.6 Ų47.630%0.29925%0.253SS..THydrogen-bonded Turntrans72.98.5-178.300000115.6Y379Y379-G381 PolarHBondContact O-N 3.14Å
382K95.5Very high90.4Very high152 Ų15244.2 Ų44.266%0.66124%0.235SC*.EExtended strand (participates in β ladder)trans-112.2122.5177.2-63.1-178.3-177.4177.60111I378 Y379 L380 L384I378-K382 WeakPolarHBondContact CA-O 3.41Å; Y379-K382 PolarHBondContact N-O 3.4Å; Y379-K382 PolarHBondContact O-N 2.97Å; L380-K382 VanDerWaalsContact C-N 3.25Å; L380-K382 PolarHBondContact O-N 3.25Å; K382-L384 PolarHBondContact O-N 2.94Å
383P94.9Very high89.7Confident61 Ų6145.6 Ų45.640%0.39625%0.249SC..EExtended strand (participates in β ladder)trans-57.1130.5170.2-24.134.1000111I378I378-P383 HydrophobicContact CG1-CB 4.47Å; I378-P383 HydrophobicContact CG1-CG 4.31Å
384L94.1Very high88.4Confident31 Ų3150.7 Ų50.716%0.16228%0.276CS..  trans-86.5137.8178.1-63.6-179.7000110.3I314 I377 K382 L386 L389 S404I314-L384 HydrophobicContact CB-CD1 4.07Å; I314-L384 HydrophobicContact CD1-CD1 3.42Å; I314-L384 VanDerWaalsContact CD1-CD1 3.42Å; I314-L384 HydrophobicContact CG1-CD1 4.22Å; I314-L384 HydrophobicContact CG2-CD1 4.33Å; I377-L384 HydrophobicContact CB-CD1 4.35Å; I377-L384 HydrophobicContact CG2-CD1 3.8Å; I377-L384 PolarHBondContact O-N 2.96Å; K382-L384 PolarHBondContact O-N 2.94Å; L384-L386 HydrophobicContact CB-CD2 4.26Å; L384-L386 HydrophobicContact CB-CG 4.43Å; L384-L386 PolarHBondContact O-N 2.93Å; L384-L389 HydrophobicContact CB-CD1 4.25Å; L384-S404 VanDerWaalsContact O-CA 3.24Å; L384-S404 WeakPolarHBondContact O-CA 3.31Å; L384-S404 VanDerWaalsContact O-CB 3.28Å; L384-S404 WeakPolarHBondContact O-CB 3.49Å
385L89.9Confident87Confident95 Ų9553.4 Ų53.450%0.49730%0.299SS..  trans-80.565.1179.3-54.2-177.6000110.7R387 S388 L389 H403L385-R387 PolarHBondContact O-N 3.38Å; L385-S388 PolarHBondContact O-N 3.12Å; L385-L389 PolarHBondContact O-N 3.49Å; L385-L389 VanDerWaalsContact O-N 3.14Å; L385-H403 CarbonylContact C-O 3.53Å; L385-H403 HydrophobicContact CB-CB 4.49Å; L385-H403 HydrophobicContact CD2-CB 4.18Å
386L86.1Confident85.3Confident0 Ų058.5 Ų58.50%032%0.319CS..Hα-helixtrans-54.1-31.5-172-68.6178.4000113.4I314 F375 I377 L384 S388 L389 W390 H403 I406I314-L386 HydrophobicContact CG2-CD2 3.6Å; F375-L386 HydrophobicContact CD2-CD1 4.39Å; F375-L386 HydrophobicContact CE2-CD1 3.55Å; F375-L386 HydrophobicContact CZ-CD1 3.83Å; I377-L386 HydrophobicContact CB-CD1 4.11Å; I377-L386 HydrophobicContact CB-CD2 4.5Å; I377-L386 HydrophobicContact CD1-CD1 3.88Å; I377-L386 HydrophobicContact CD1-CD2 4.08Å; I377-L386 HydrophobicContact CG1-CD1 3.92Å; L384-L386 HydrophobicContact CB-CD2 4.26Å; L384-L386 HydrophobicContact CB-CG 4.43Å; L384-L386 PolarHBondContact O-N 2.93Å; L386-S388 VanDerWaalsContact C-N 3.32Å; L386-S388 PolarHBondContact O-N 3.2Å; L386-L389 PolarHBondContact O-N 3.37Å; L386-W390 HydrophobicContact CD2-CZ2 4.49Å; L386-W390 VanDerWaalsContact O-CB 3.32Å; L386-W390 WeakPolarHBondContact O-CB 3.49Å; L386-W390 PolarHBondContact O-N 3.31Å; L386-H403 PolarHBondContact N-O 3.32Å; L386-I406 HydrophobicContact CB-CD1 3.9Å; L386-I406 HydrophobicContact CB-CG1 3.5Å; L386-I406 HydrophobicContact CD1-CG1 3.95Å; L386-I406 HydrophobicContact CG-CG1 4.39Å
387R82.1Confident83.3Confident14 Ų1459.6 Ų59.65%0.05333%0.33CS..Hα-helixtrans-60.2-44.6177.8-69.7-168.3-129.1166.93.3112L385 N391 I392 L400 D402 H403 F405 I406L385-R387 PolarHBondContact O-N 3.38Å; R387-N391 PolarHBondContact O-N 2.91Å; R387-N391 VanDerWaalsContact O-N 3.09Å; R387-I392 PolarHBondContact O-N 3.36Å; R387-L400 PolarHBondContact NH1-O 3.37Å; R387-L400 PolarHBondContact NH2-O 2.91Å; R387-D402 PolarHBondContact NH2-O 3.38Å; R387-H403 PolarHBondContact N-O 3.23Å; R387-F405 PolarHBondContact NE-O 3.13Å; R387-I406 HydrophobicContact CB-CD1 4.13Å; R387-I406 HydrophobicContact CG-CD1 3.2Å
388S81.9Confident81.2Confident86 Ų8667.3 Ų67.360%0.60137%0.366SS*.Hα-helixtrans-70.9-39.1177.4-176.60000111.2L385 L386 W390L385-S388 PolarHBondContact O-N 3.12Å; L386-S388 VanDerWaalsContact C-N 3.32Å; L386-S388 PolarHBondContact O-N 3.2Å; S388-W390 VanDerWaalsContact C-N 3.33Å
389L81.6Confident79.2Confident70 Ų7073.2 Ų73.237%0.36639%0.393SS..Hα-helixtrans-70.7-30.7-177.8-65.1169.1000112.3I314 L384 L385 L386I314-L389 HydrophobicContact CB-CD1 4.35Å; I314-L389 HydrophobicContact CG2-CB 4.25Å; I314-L389 HydrophobicContact CG2-CD1 3.69Å; L384-L389 HydrophobicContact CB-CD1 4.25Å; L385-L389 PolarHBondContact O-N 3.49Å; L385-L389 VanDerWaalsContact O-N 3.14Å; L386-L389 PolarHBondContact O-N 3.37Å
390W84.1Confident77.4Confident33 Ų3372.6 Ų72.613%0.12539%0.391CS..THydrogen-bonded Turntrans-104.26.4-178.4-66.87.3000113.6L312 F375 L386 S388 I392 V410 L411 Y414L312-W390 HydrophobicContact CD2-CZ2 4.3Å; L312-W390 PolarHBondContact O-NE1 3.42Å; F375-W390 AromaticContact CZ-CH2 3.95Å; F375-W390 HydrophobicContact CZ-CH2 3.95Å; F375-W390 HydrophobicContact CZ-CZ3 4.05Å; L386-W390 HydrophobicContact CD2-CZ2 4.49Å; L386-W390 VanDerWaalsContact O-CB 3.32Å; L386-W390 WeakPolarHBondContact O-CB 3.49Å; L386-W390 PolarHBondContact O-N 3.31Å; S388-W390 VanDerWaalsContact C-N 3.33Å; W390-I392 HydrophobicContact CB-CD1 3.82Å; W390-I392 HydrophobicContact CB-CG1 3.82Å; W390-I392 HydrophobicContact CE3-CD1 3.99Å; W390-I392 PolarHBondContact O-N 3.28Å; W390-V410 HydrophobicContact CE3-CG1 4.05Å; W390-V410 HydrophobicContact CZ3-CG1 4.13Å; W390-L411 HydrophobicContact CH2-CD1 3.78Å; W390-Y414 HydrophobicContact CH2-CD1 4.11Å; W390-Y414 HydrophobicContact CH2-CG 4.31Å; W390-Y414 HydrophobicContact CZ2-CD1 4.33Å; W390-Y414 HydrophobicContact CZ2-CE1 4.43Å; W390-Y414 HydrophobicContact CZ3-CG 4.4Å
391N81.3Confident75.7Confident150 Ų15076 Ų7680%0.80241%0.41SS*.THydrogen-bonded Turntrans50.241.1-177.8-60.4-48.7000113.3R387R387-N391 PolarHBondContact O-N 2.91Å; R387-N391 VanDerWaalsContact O-N 3.09Å
392I77.9Confident74.6Confident26 Ų2677.2 Ų77.213%0.13341%0.409CS..  trans-77.6128.8-178.3-64.9165.8000109.1R387 W390 Y396 I406 V410R387-I392 PolarHBondContact O-N 3.36Å; W390-I392 HydrophobicContact CB-CD1 3.82Å; W390-I392 HydrophobicContact CB-CG1 3.82Å; W390-I392 HydrophobicContact CE3-CD1 3.99Å; W390-I392 PolarHBondContact O-N 3.28Å; I392-Y396 HydrophobicContact CG2-CD2 3.42Å; I392-Y396 VanDerWaalsContact CG2-CD2 3.42Å; I392-Y396 HydrophobicContact CG2-CE2 3.76Å; I392-Y396 HydrophobicContact CG2-CG 4.42Å; I392-I406 HydrophobicContact CD1-CD1 3.46Å; I392-I406 VanDerWaalsContact CD1-CD1 3.46Å; I392-I406 HydrophobicContact CD1-CG1 4.11Å; I392-I406 HydrophobicContact CD1-CG2 3.77Å; I392-V410 HydrophobicContact CD1-CG1 3.88Å; I392-V410 HydrophobicContact CG1-CG1 4.42Å
393S72.3Confident73.7Confident68 Ų6874.3 Ų74.348%0.47640%0.398SS..  trans-59.6145.7-179.956.90000113.1S395 Y396S393-S395 PolarHBondContact O-N 3.07Å; S393-S395 PolarHBondContact OG-OG 2.75Å; S393-Y396 WeakPolarHBondContact O-CD2 3.49Å; S393-Y396 PolarHBondContact O-N 3.38Å
394D64.2Low73.3Confident108 Ų10871.4 Ų71.458%0.57838%0.379SS*.G310 helixtrans-66-0.6175.8-71.5-37.3000113.7Y396 S397D394-Y396 PolarHBondContact O-N 3.44Å; D394-Y396 VanDerWaalsContact O-N 3.14Å; D394-S397 WeakPolarHBondContact O-CA 3.46Å; D394-S397 WeakPolarHBondContact O-CB 3.2Å; D394-S397 PolarHBondContact O-N 3.02Å; D394-S397 PolarHBondContact O-OG 3.29Å
395S63.9Low73.1Confident84 Ų8470 Ų7059%0.58737%0.372SS*.G310 helixtrans-58.3-27172.154.90000112.9S393 S397S393-S395 PolarHBondContact O-N 3.07Å; S393-S395 PolarHBondContact OG-OG 2.75Å; S395-S397 PolarHBondContact O-N 3.28Å
396Y59.6Low73.1Confident107 Ų10765.6 Ų65.642%0.4235%0.348SS..G310 helixtrans-78.4-4.9173.6-61-77.6000113.4I392 S393 D394 Q398 P407I392-Y396 HydrophobicContact CG2-CD2 3.42Å; I392-Y396 VanDerWaalsContact CG2-CD2 3.42Å; I392-Y396 HydrophobicContact CG2-CE2 3.76Å; I392-Y396 HydrophobicContact CG2-CG 4.42Å; S393-Y396 WeakPolarHBondContact O-CD2 3.49Å; S393-Y396 PolarHBondContact O-N 3.38Å; D394-Y396 PolarHBondContact O-N 3.44Å; D394-Y396 VanDerWaalsContact O-N 3.14Å; Y396-Q398 PolarHBondContact O-N 3.41Å; Y396-P407 HydrophobicContact CD1-CG 3.62Å; Y396-P407 HydrophobicContact CE1-CG 4.1Å; Y396-P407 HydrophobicContact CG-CG 4.18Å
397S52.7Low73.3Confident43 Ų4366.4 Ų66.430%0.30135%0.354SS..G310 helixtrans-80.3-10-167.171.70000115.7D394 S395 H399 L400D394-S397 WeakPolarHBondContact O-CA 3.46Å; D394-S397 WeakPolarHBondContact O-CB 3.2Å; D394-S397 PolarHBondContact O-N 3.02Å; D394-S397 PolarHBondContact O-OG 3.29Å; S395-S397 PolarHBondContact O-N 3.28Å; S397-H399 PolarHBondContact O-N 3.47Å; S397-L400 PolarHBondContact O-N 2.89Å
398Q53.2Low73.7Confident161 Ų16165.7 Ų65.775%0.75235%0.351SS*.G310 helixtrans-57-15.5-167.4-69-168.74.300114.2Y396Y396-Q398 PolarHBondContact O-N 3.41Å
399H55.7Low74.1Confident127 Ų12763 Ų6359%0.58833%0.329SS*.G310 helixtrans-126.7-6.4-174.3-55.1-50.5000116.2S397S397-H399 PolarHBondContact O-N 3.47Å
400L60.8Low74.4Confident9 Ų960.9 Ų60.95%0.04732%0.319CS..  trans-141116-174-74.7159.8000113.7M5 W374 R387 S397 D402 F405M5-L400 HydrophobicContact CE-CD1 3.37Å; M5-L400 HydrophobicContact CE-CD2 3.38Å; M5-L400 HydrophobicContact CE-CG 3.98Å; M5-L400 HydrophobicContact SD-CD1 4.18Å; W374-L400 HydrophobicContact CD2-CD1 4.05Å; W374-L400 HydrophobicContact CE3-CD1 3.67Å; W374-L400 HydrophobicContact CH2-CD1 3.95Å; W374-L400 HydrophobicContact CZ2-CD1 4.31Å; W374-L400 HydrophobicContact CZ3-CD1 3.62Å; R387-L400 PolarHBondContact NH1-O 3.37Å; R387-L400 PolarHBondContact NH2-O 2.91Å; S397-L400 PolarHBondContact O-N 2.89Å; L400-D402 PolarHBondContact O-N 3.37Å; L400-F405 HydrophobicContact CD1-CB 4.13Å
401N60.6Low74.7Confident143 Ų14359.3 Ų59.377%0.76531%0.313SS*.  trans-74.8-10.3171.8-71-2.7000113.3
402D73.6Confident75Confident53 Ų5354.1 Ų54.128%0.28328%0.282SS..  trans-93.2103.8-177.2-178.9-11.6000111.7R387 L400 S404 F405R387-D402 PolarHBondContact NH2-O 3.38Å; L400-D402 PolarHBondContact O-N 3.37Å; D402-S404 PolarHBondContact O-N 2.94Å; D402-S404 VanDerWaalsContact OD1-CB 3.28Å; D402-S404 WeakPolarHBondContact OD1-CB 3.29Å; D402-S404 PolarHBondContact OD1-N 3.33Å; D402-S404 PolarHBondContact OD1-OG 3.47Å; D402-S404 PolarHBondContact OD2-OG 3.09Å; D402-F405 HydrophobicContact CB-CD2 3.94Å; D402-F405 HydrophobicContact CB-CE2 4.36Å; D402-F405 PolarHBondContact O-N 2.88Å; D402-F405 VanDerWaalsContact OD2-CE2 3.29Å; D402-F405 WeakPolarHBondContact OD2-CE2 3.22Å
403H77.4Confident75.5Confident91 Ų9158.5 Ų58.542%0.42130%0.3SS..THydrogen-bonded Turntrans-62.4-3.9-177.9-66.1-84.2000115.4L385 L386 R387L385-H403 CarbonylContact C-O 3.53Å; L385-H403 HydrophobicContact CB-CB 4.49Å; L385-H403 HydrophobicContact CD2-CB 4.18Å; L386-H403 PolarHBondContact N-O 3.32Å; R387-H403 PolarHBondContact N-O 3.23Å
404S86.5Confident76.2Confident0 Ų058.3 Ų58.30%029%0.289CS..THydrogen-bonded Turntrans-80.1-26.4174.270.50000114.2R376 L384 D402R376-S404 VanDerWaalsContact CB-O 3.3Å; R376-S404 WeakPolarHBondContact CB-O 3.49Å; L384-S404 VanDerWaalsContact O-CA 3.24Å; L384-S404 WeakPolarHBondContact O-CA 3.31Å; L384-S404 VanDerWaalsContact O-CB 3.28Å; L384-S404 WeakPolarHBondContact O-CB 3.49Å; D402-S404 PolarHBondContact O-N 2.94Å; D402-S404 VanDerWaalsContact OD1-CB 3.28Å; D402-S404 WeakPolarHBondContact OD1-CB 3.29Å; D402-S404 PolarHBondContact OD1-N 3.33Å; D402-S404 PolarHBondContact OD1-OG 3.47Å; D402-S404 PolarHBondContact OD2-OG 3.09Å
405F89.1Confident77.2Confident3 Ų353.5 Ų53.51%0.01326%0.263CS..  trans-86132.7-177.9-72.5-85.7000112.7M5 Y331 W374 F375 R376 R387 L400 D402M5-F405 HydrophobicContact CE-CB 4.47Å; M5-F405 HydrophobicContact CE-CD1 3.7Å; M5-F405 HydrophobicContact CE-CD2 4.2Å; M5-F405 HydrophobicContact CE-CE1 3.84Å; M5-F405 HydrophobicContact CE-CE2 4.33Å; M5-F405 HydrophobicContact CE-CG 3.87Å; M5-F405 HydrophobicContact CE-CZ 4.17Å; M5-F405 HydrophobicContact SD-CD1 4.39Å; Y331-F405 HydrophobicContact CD1-CE1 4.22Å; Y331-F405 HydrophobicContact CD2-CD1 4.29Å; Y331-F405 AromaticContact CD2-CE1 3.5Å; Y331-F405 HydrophobicContact CD2-CE1 3.5Å; Y331-F405 HydrophobicContact CD2-CZ 4.44Å; Y331-F405 HydrophobicContact CE1-CE1 4.29Å; Y331-F405 HydrophobicContact CE1-CZ 4.43Å; Y331-F405 AromaticContact CE2-CE1 3.54Å; Y331-F405 HydrophobicContact CE2-CE1 3.54Å; Y331-F405 HydrophobicContact CE2-CZ 4.09Å; Y331-F405 AromaticContact CG-CE1 3.83Å; Y331-F405 HydrophobicContact CG-CE1 3.83Å; Y331-F405 AromaticContact CZ-CE1 3.96Å; W374-F405 HydrophobicContact CE3-CB 4.21Å; F375-F405 WeakPolarHBondContact O-CA 3.33Å; R376-F405 HydrophobicContact CB-CD1 4.29Å; R376-F405 HydrophobicContact CG-CD1 4.47Å; R376-F405 HydrophobicContact CG-CE1 4.19Å; R376-F405 HydrophobicContact CG-CZ 4.47Å; R387-F405 PolarHBondContact NE-O 3.13Å; L400-F405 HydrophobicContact CD1-CB 4.13Å; D402-F405 HydrophobicContact CB-CD2 3.94Å; D402-F405 HydrophobicContact CB-CE2 4.36Å; D402-F405 PolarHBondContact O-N 2.88Å; D402-F405 VanDerWaalsContact OD2-CE2 3.29Å; D402-F405 WeakPolarHBondContact OD2-CE2 3.22Å
406I89.5Confident78Confident1 Ų152 Ų521%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-128.9143.6178.7-55.1-56.8000109.7W374 F375 L386 R387 I392 F408 V410W374-I406 CarbonylContact C-O 3.51Å; W374-I406 WeakPolarHBondContact CA-O 3.43Å; F375-I406 HydrophobicContact CD1-CB 4.05Å; F375-I406 HydrophobicContact CD1-CG2 4.45Å; F375-I406 VanDerWaalsContact CD1-O 3.31Å; F375-I406 WeakPolarHBondContact CD1-O 3.31Å; F375-I406 HydrophobicContact CE1-CB 3.45Å; F375-I406 VanDerWaalsContact CE1-CB 3.45Å; F375-I406 HydrophobicContact CE1-CG1 4.34Å; F375-I406 HydrophobicContact CE1-CG2 3.58Å; F375-I406 HydrophobicContact CZ-CB 3.94Å; F375-I406 HydrophobicContact CZ-CG1 4.36Å; F375-I406 HydrophobicContact CZ-CG2 4.17Å; F375-I406 PolarHBondContact N-O 3.48Å; F375-I406 PolarHBondContact O-N 2.92Å; L386-I406 HydrophobicContact CB-CD1 3.9Å; L386-I406 HydrophobicContact CB-CG1 3.5Å; L386-I406 HydrophobicContact CD1-CG1 3.95Å; L386-I406 HydrophobicContact CG-CG1 4.39Å; R387-I406 HydrophobicContact CB-CD1 4.13Å; R387-I406 HydrophobicContact CG-CD1 3.2Å; I392-I406 HydrophobicContact CD1-CD1 3.46Å; I392-I406 VanDerWaalsContact CD1-CD1 3.46Å; I392-I406 HydrophobicContact CD1-CG1 4.11Å; I392-I406 HydrophobicContact CD1-CG2 3.77Å; I406-F408 PolarHBondContact O-N 3.45Å; I406-V410 HydrophobicContact CG2-CB 3.62Å; I406-V410 HydrophobicContact CG2-CG1 3.97Å; I406-V410 HydrophobicContact CG2-CG2 3.99Å
407P90.4Very high78.8Confident17 Ų1751.9 Ų51.911%0.1125%0.25CS..EExtended strand (participates in β ladder)trans-59.4134.8170.5-21.532000111.6W374 Y396 K409 V410W374-P407 HydrophobicContact CE3-CG 4.15Å; W374-P407 HydrophobicContact CH2-CG 3.88Å; W374-P407 HydrophobicContact CZ2-CG 4.34Å; W374-P407 HydrophobicContact CZ3-CG 3.76Å; Y396-P407 HydrophobicContact CD1-CG 3.62Å; Y396-P407 HydrophobicContact CE1-CG 4.1Å; Y396-P407 HydrophobicContact CG-CG 4.18Å; P407-K409 PolarHBondContact O-N 3.34Å; P407-K409 VanDerWaalsContact O-N 3.14Å; P407-V410 HydrophobicContact CB-CG2 4.24Å; P407-V410 HydrophobicContact CG-CG2 4.39Å; P407-V410 WeakPolarHBondContact O-CB 3.37Å; P407-V410 PolarHBondContact O-N 3.42Å
408F91.8Very high79.7Confident0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-58.1-32.7-177.2175.6-109.4000112.9L283 M286 I287 L330 L370 L373 I406 V410 L411 Y412L283-F408 HydrophobicContact CD2-CE2 3.98Å; L283-F408 HydrophobicContact CD2-CZ 4.02Å; M286-F408 HydrophobicContact CB-CD2 4.35Å; M286-F408 HydrophobicContact CB-CE2 3.57Å; M286-F408 HydrophobicContact CB-CZ 3.8Å; M286-F408 HydrophobicContact CG-CE2 4.13Å; M286-F408 HydrophobicContact SD-CD2 3.78Å; M286-F408 HydrophobicContact SD-CE2 3.4Å; M286-F408 WeakPolarHBondContact SD-CE2 3.5Å; M286-F408 HydrophobicContact SD-CZ 4.47Å; I287-F408 HydrophobicContact CG1-CE1 3.84Å; I287-F408 HydrophobicContact CG1-CZ 3.82Å; L330-F408 HydrophobicContact CD1-CB 4.47Å; L330-F408 HydrophobicContact CD1-CD2 4.15Å; L330-F408 HydrophobicContact CD1-CG 4.32Å; L370-F408 HydrophobicContact CB-CD1 4.23Å; L370-F408 HydrophobicContact CD1-CD1 3.8Å; L370-F408 HydrophobicContact CD1-CE1 3.67Å; L370-F408 HydrophobicContact CD2-CD1 3.74Å; L370-F408 HydrophobicContact CD2-CE1 3.75Å; L370-F408 HydrophobicContact CG-CD1 4.11Å; L370-F408 HydrophobicContact CG-CE1 4.25Å; L373-F408 HydrophobicContact CB-CB 3.77Å; L373-F408 HydrophobicContact CB-CG 4.43Å; L373-F408 HydrophobicContact CD1-CD1 4.39Å; L373-F408 PolarHBondContact O-N 3.36Å; I406-F408 PolarHBondContact O-N 3.45Å; F408-V410 PolarHBondContact O-N 2.61Å; F408-V410 VanDerWaalsContact O-N 3.13Å; F408-L411 HydrophobicContact CD2-CD2 4.17Å; F408-L411 HydrophobicContact CE2-CD2 4.05Å; F408-L411 WeakPolarHBondContact O-CB 3.43Å; F408-L411 PolarHBondContact O-N 2.99Å; F408-Y412 PolarHBondContact O-N 2.92Å
409K88.8Confident80.5Confident29 Ų2947.4 Ų47.413%0.12623%0.227CC..Hα-helixtrans-54.7-30.8173.7-70.1-170.9176.5-172.80113.7D367 L370 D371 P407 K413D367-K409 WeakPolarHBondContact O-CE 3.41Å; D367-K409 PolarHBondContact O-NZ 3.14Å; D367-K409 WeakPolarHBondContact OD1-CD 3.41Å; D367-K409 WeakPolarHBondContact OD1-CE 3.45Å; D367-K409 IonicContact OD1-NZ 3.61Å; D367-K409 PolarHBondContact OD1-NZ 2.89Å; L370-K409 HydrophobicContact CB-CG 3.9Å; D371-K409 VanDerWaalsContact CG-CE 3.44Å; D371-K409 WeakPolarHBondContact OD1-CD 3.4Å; D371-K409 WeakPolarHBondContact OD1-CE 3.46Å; D371-K409 IonicContact OD1-NZ 2.76Å; D371-K409 PolarHBondContact OD1-NZ 3.44Å; D371-K409 IonicContact OD2-NZ 3.54Å; D371-K409 PolarHBondContact OD2-NZ 2.85Å; P407-K409 PolarHBondContact O-N 3.34Å; P407-K409 VanDerWaalsContact O-N 3.14Å; K409-K413 WeakPolarHBondContact O-CB 3.44Å; K409-K413 VanDerWaalsContact O-CG 3.27Å; K409-K413 WeakPolarHBondContact O-CG 2.94Å; K409-K413 PolarHBondContact O-N 2.91Å
410V89.1Confident81.1Confident26 Ų2646 Ų4616%0.15822%0.224CC..Hα-helixtrans-70.2-43.2178.1-178.10000110.6W390 I392 I406 P407 F408 K413 Y414W390-V410 HydrophobicContact CE3-CG1 4.05Å; W390-V410 HydrophobicContact CZ3-CG1 4.13Å; I392-V410 HydrophobicContact CD1-CG1 3.88Å; I392-V410 HydrophobicContact CG1-CG1 4.42Å; I406-V410 HydrophobicContact CG2-CB 3.62Å; I406-V410 HydrophobicContact CG2-CG1 3.97Å; I406-V410 HydrophobicContact CG2-CG2 3.99Å; P407-V410 HydrophobicContact CB-CG2 4.24Å; P407-V410 HydrophobicContact CG-CG2 4.39Å; P407-V410 WeakPolarHBondContact O-CB 3.37Å; P407-V410 PolarHBondContact O-N 3.42Å; F408-V410 PolarHBondContact O-N 2.61Å; F408-V410 VanDerWaalsContact O-N 3.13Å; V410-K413 PolarHBondContact O-N 3.28Å; V410-Y414 VanDerWaalsContact O-CB 3.27Å; V410-Y414 WeakPolarHBondContact O-CB 3.47Å; V410-Y414 PolarHBondContact O-N 3.42Å
411L90.7Very high81.1Confident0 Ų048.1 Ų48.10%025%0.248CC..Hα-helixtrans-62.7-45.8174.1176.865.1000111.5L283 M286 L312 F375 W390 F408 K413 Y414 I415L283-L411 HydrophobicContact CD2-CD2 4.23Å; L283-L411 HydrophobicContact CD2-CG 4.04Å; M286-L411 HydrophobicContact CE-CD2 4.23Å; M286-L411 HydrophobicContact SD-CD2 3.81Å; L312-L411 HydrophobicContact CD2-CD1 3.96Å; F375-L411 HydrophobicContact CD1-CB 4.06Å; F375-L411 HydrophobicContact CD1-CD2 4.31Å; F375-L411 HydrophobicContact CD2-CD2 3.98Å; F375-L411 HydrophobicContact CE1-CB 3.44Å; F375-L411 VanDerWaalsContact CE1-CB 3.44Å; F375-L411 HydrophobicContact CE1-CD2 4.26Å; F375-L411 HydrophobicContact CE1-CG 4.37Å; F375-L411 HydrophobicContact CE2-CB 4.29Å; F375-L411 HydrophobicContact CE2-CD1 4.29Å; F375-L411 HydrophobicContact CE2-CD2 3.93Å; F375-L411 HydrophobicContact CE2-CG 4.41Å; F375-L411 HydrophobicContact CG-CD2 4.18Å; F375-L411 HydrophobicContact CZ-CB 3.6Å; F375-L411 HydrophobicContact CZ-CD1 4.15Å; F375-L411 HydrophobicContact CZ-CD2 4.09Å; F375-L411 HydrophobicContact CZ-CG 4.16Å; W390-L411 HydrophobicContact CH2-CD1 3.78Å; F408-L411 HydrophobicContact CD2-CD2 4.17Å; F408-L411 HydrophobicContact CE2-CD2 4.05Å; F408-L411 WeakPolarHBondContact O-CB 3.43Å; F408-L411 PolarHBondContact O-N 2.99Å; L411-K413 PolarHBondContact O-N 3.16Å; L411-Y414 PolarHBondContact O-N 3.27Å; L411-I415 HydrophobicContact CD1-CD1 3.63Å; L411-I415 HydrophobicContact CD1-CG1 4.13Å; L411-I415 HydrophobicContact CG-CD1 4.07Å; L411-I415 PolarHBondContact O-N 2.98Å
412Y87.8Confident80.6Confident41 Ų4146.3 Ų46.316%0.16124%0.237CC..Hα-helixtrans-55.8-52.2177.1-177.7-86.5000110.8L283 I287 L358 F408 Y414 I415 D416L283-Y412 HydrophobicContact CD1-CD2 4.48Å; I287-Y412 HydrophobicContact CD1-CD2 4.1Å; I287-Y412 HydrophobicContact CD1-CE2 3.95Å; L358-Y412 HydrophobicContact CD1-CE2 4.41Å; L358-Y412 HydrophobicContact CD2-CE2 3.81Å; L358-Y412 WeakPolarHBondContact CD2-OH 3.39Å; L358-Y412 HydrophobicContact CG-CE2 4.38Å; F408-Y412 PolarHBondContact O-N 2.92Å; Y412-Y414 VanDerWaalsContact C-N 3.33Å; Y412-Y414 PolarHBondContact O-N 3.36Å; Y412-I415 PolarHBondContact O-N 3.36Å; Y412-D416 HydrophobicContact CE1-CB 4.37Å; Y412-D416 WeakPolarHBondContact O-CB 3.23Å; Y412-D416 PolarHBondContact O-N 2.98Å
413K86.9Confident79.2Confident117 Ų11754.4 Ų54.451%0.50927%0.274SS..Hα-helixtrans-62.5-38.4178.4-73.8175.8-177.51800112.6K409 V410 L411 K417K409-K413 WeakPolarHBondContact O-CB 3.44Å; K409-K413 VanDerWaalsContact O-CG 3.27Å; K409-K413 WeakPolarHBondContact O-CG 2.94Å; K409-K413 PolarHBondContact O-N 2.91Å; V410-K413 PolarHBondContact O-N 3.28Å; L411-K413 PolarHBondContact O-N 3.16Å; K413-K417 VanDerWaalsContact O-CB 3.24Å; K413-K417 WeakPolarHBondContact O-CB 3.41Å; K413-K417 VanDerWaalsContact O-CG 3.23Å; K413-K417 WeakPolarHBondContact O-CG 2.85Å; K413-K417 PolarHBondContact O-N 3.37Å
414Y87.2Confident79.3Confident65 Ų6552.6 Ų52.626%0.25527%0.266SS..Hα-helixtrans-63-51.4179.2175.2-99.2000111.4H272 G311 L312 W390 V410 L411 Y412 A418H272-Y414 AromaticContact CE1-CE1 3.98Å; G311-Y414 WeakPolarHBondContact O-CE1 3.48Å; G311-Y414 PolarHBondContact O-OH 3.4Å; G311-Y414 VanDerWaalsContact O-OH 3.06Å; L312-Y414 HydrophobicContact CD2-CE1 4.41Å; W390-Y414 HydrophobicContact CH2-CD1 4.11Å; W390-Y414 HydrophobicContact CH2-CG 4.31Å; W390-Y414 HydrophobicContact CZ2-CD1 4.33Å; W390-Y414 HydrophobicContact CZ2-CE1 4.43Å; W390-Y414 HydrophobicContact CZ3-CG 4.4Å; V410-Y414 VanDerWaalsContact O-CB 3.27Å; V410-Y414 WeakPolarHBondContact O-CB 3.47Å; V410-Y414 PolarHBondContact O-N 3.42Å; L411-Y414 PolarHBondContact O-N 3.27Å; Y412-Y414 VanDerWaalsContact C-N 3.33Å; Y412-Y414 PolarHBondContact O-N 3.36Å; Y414-A418 WeakPolarHBondContact O-CB 3.47Å; Y414-A418 PolarHBondContact O-N 3.49Å
415I85.5Confident78.9Confident6 Ų655.4 Ų55.43%0.03128%0.28CS..Hα-helixtrans-68.4-40.6179.5-68.9175.2000111.3F279 L283 L411 Y412 A418 K419F279-I415 HydrophobicContact CB-CD1 4.36Å; F279-I415 HydrophobicContact CB-CG2 3.82Å; F279-I415 HydrophobicContact CD1-CD1 3.74Å; F279-I415 HydrophobicContact CD1-CG1 4.17Å; F279-I415 HydrophobicContact CE1-CD1 4.48Å; F279-I415 HydrophobicContact CG-CD1 4.37Å; F279-I415 HydrophobicContact CG-CG2 4.37Å; L283-I415 HydrophobicContact CD1-CB 3.82Å; L283-I415 HydrophobicContact CD1-CD1 4.11Å; L283-I415 HydrophobicContact CD1-CG2 3.48Å; L283-I415 VanDerWaalsContact CD1-CG2 3.48Å; L283-I415 HydrophobicContact CD2-CD1 3.9Å; L283-I415 HydrophobicContact CG-CB 4.49Å; L283-I415 HydrophobicContact CG-CD1 3.82Å; L283-I415 HydrophobicContact CG-CG2 4.28Å; L411-I415 HydrophobicContact CD1-CD1 3.63Å; L411-I415 HydrophobicContact CD1-CG1 4.13Å; L411-I415 HydrophobicContact CG-CD1 4.07Å; L411-I415 PolarHBondContact O-N 2.98Å; Y412-I415 PolarHBondContact O-N 3.36Å; I415-A418 PolarHBondContact O-N 2.79Å; I415-K419 WeakPolarHBondContact O-CB 3.45Å; I415-K419 PolarHBondContact O-N 2.82Å
416D80.8Confident78.4Confident52 Ų5258.3 Ų58.328%0.27830%0.295SS..Hα-helixtrans-65.9-44.9-179.4-175.962.4000112.5Y412 A418 K419 N420Y412-D416 HydrophobicContact CE1-CB 4.37Å; Y412-D416 WeakPolarHBondContact O-CB 3.23Å; Y412-D416 PolarHBondContact O-N 2.98Å; D416-A418 VanDerWaalsContact C-N 3.33Å; D416-A418 PolarHBondContact O-N 3.18Å; D416-K419 PolarHBondContact O-N 3.08Å; D416-N420 PolarHBondContact O-N 3.27Å; D416-N420 VanDerWaalsContact O-N 3.16Å; D416-N420 PolarHBondContact O-ND2 3.49Å
417K75.8Confident77.7Confident105 Ų10561.6 Ų61.646%0.45731%0.312SS..Hα-helixtrans-57.9-47.1173.6-81.1-176.2172.4-160.90111.9K413 K419 N420 G421 I422K413-K417 VanDerWaalsContact O-CB 3.24Å; K413-K417 WeakPolarHBondContact O-CB 3.41Å; K413-K417 VanDerWaalsContact O-CG 3.23Å; K413-K417 WeakPolarHBondContact O-CG 2.85Å; K413-K417 PolarHBondContact O-N 3.37Å; K417-K419 VanDerWaalsContact C-N 3.31Å; K417-K419 PolarHBondContact O-N 2.77Å; K417-N420 CarbonylContact O-C 3.58Å; K417-N420 PolarHBondContact O-N 2.66Å; K417-N420 VanDerWaalsContact O-N 3.11Å; K417-G421 PolarHBondContact O-N 2.97Å; K417-I422 PolarHBondContact O-N 3.23Å; K417-I422 VanDerWaalsContact O-N 3.11Å
418A73.5Confident76.9Confident22 Ų2264.4 Ų64.418%0.18233%0.325CS..Hα-helixtrans-67.3-33.6-176.600000112.4H272 Y414 I415 D416 N420 G421H272-A418 HydrophobicContact CB-CB 3.96Å; H272-A418 WeakPolarHBondContact CD2-CB 3.35Å; H272-A418 WeakPolarHBondContact NE2-CB 3.22Å; Y414-A418 WeakPolarHBondContact O-CB 3.47Å; Y414-A418 PolarHBondContact O-N 3.49Å; I415-A418 PolarHBondContact O-N 2.79Å; D416-A418 VanDerWaalsContact C-N 3.33Å; D416-A418 PolarHBondContact O-N 3.18Å; A418-N420 VanDerWaalsContact C-N 3.33Å; A418-N420 PolarHBondContact O-N 3.28Å; A418-G421 PolarHBondContact O-N 2.94Å
419K69.9Low75.9Confident88 Ų8868.7 Ų68.738%0.38335%0.347SS..Hα-helixtrans-64.3-35.9172-172.2176.4-177.9173.30112.7I415 D416 K417 G421I415-K419 WeakPolarHBondContact O-CB 3.45Å; I415-K419 PolarHBondContact O-N 2.82Å; D416-K419 PolarHBondContact O-N 3.08Å; K417-K419 VanDerWaalsContact C-N 3.31Å; K417-K419 PolarHBondContact O-N 2.77Å; K419-G421 VanDerWaalsContact C-N 3.28Å; K419-G421 PolarHBondContact O-N 3.05Å
420N68.3Low75Confident98 Ų9871.6 Ų71.652%0.52436%0.362SS..THydrogen-bonded Turntrans-84.92.5179.3-67.1-46.3000113.5D416 K417 A418 I422D416-N420 PolarHBondContact O-N 3.27Å; D416-N420 VanDerWaalsContact O-N 3.16Å; D416-N420 PolarHBondContact O-ND2 3.49Å; K417-N420 CarbonylContact O-C 3.58Å; K417-N420 PolarHBondContact O-N 2.66Å; K417-N420 VanDerWaalsContact O-N 3.11Å; A418-N420 VanDerWaalsContact C-N 3.33Å; A418-N420 PolarHBondContact O-N 3.28Å; N420-I422 HydrophobicContact CB-CD1 4.02Å; N420-I422 HydrophobicContact CB-CG1 4.09Å; N420-I422 PolarHBondContact O-N 3.43Å
421G59.3Low73.9Confident54 Ų5475.1 Ų75.156%0.55738%0.378SS*.THydrogen-bonded Turntrans65.522-178.600000113.9K417 A418 K419K417-G421 PolarHBondContact O-N 2.97Å; A418-G421 PolarHBondContact O-N 2.94Å; K419-G421 VanDerWaalsContact C-N 3.28Å; K419-G421 PolarHBondContact O-N 3.05Å
422I51Low72.5Confident104 Ų10481.3 Ų81.353%0.53341%0.41SS..  trans-96.5108.8177.6-55.6173.6000106.6K417 N420K417-I422 PolarHBondContact O-N 3.23Å; K417-I422 VanDerWaalsContact O-N 3.11Å; N420-I422 HydrophobicContact CB-CD1 4.02Å; N420-I422 HydrophobicContact CB-CG1 4.09Å; N420-I422 PolarHBondContact O-N 3.43Å
423E44.6Very low71.2Confident224 Ų22485 Ų85100%1.04743%0.432SS*.  trans-63.70173.5-72.1-166.2151.100112.9

Retrieved 423 of 423 residues in 877.9 ms (Link to these results)

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