A0A060XHH0_ONCMY Loading...

Manganese-dependent ADP-ribose/CDP-alcohol diphosphatase

AlphaFold DB , UniProt , Accession A0A060XHH0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 329 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
1M38.8Very low54.8Low240 Ų240133 Ų133100%1.18274%0.738SS**  0101.80-67.6-174.5-156.400107.2
2T35.3Very low58.3Low146 Ų146128.8 Ų128.890%0.89671%0.713SS**  trans-133.872.917333.50000106.6
3T49.7Very low61.2Low143 Ų143119.8 Ų119.888%0.87766%0.662SS**  trans-74114.1157.9440000106.5
4G39.1Very low63.8Low71 Ų71111.5 Ų111.573%0.73262%0.616SS**  trans-147.573.3-17300000112.6
5M42.8Very low66.1Low162 Ų162104.1 Ų104.180%0.79858%0.575SS**  trans65.374.7153.1-61.117291.400117.8N7M5-N7 PolarHBondContact O-N 3.28Å; M5-N7 VanDerWaalsContact O-N 3.08Å
6E41.9Very low68.1Low199 Ų19997.6 Ų97.693%0.9354%0.539SS*.  trans-6787.7136.1-77-178.9161.600107.3C8E6-C8 VanDerWaalsContact C-N 3.31Å; E6-C8 PolarHBondContact O-N 3Å
7N44.5Very low69.9Low90 Ų9091.8 Ų91.848%0.48151%0.507SS..  trans-68102.6164-12232.9000106.5M5 D9M5-N7 PolarHBondContact O-N 3.28Å; M5-N7 VanDerWaalsContact O-N 3.08Å; N7-D9 PolarHBondContact ND2-OD2 3.1Å; N7-D9 PolarHBondContact O-N 3.11Å
8C50.9Low71.5Confident130 Ų13086.7 Ų86.788%0.87848%0.479SS*.  trans-7043.5175.6-1680000111.1E6E6-C8 VanDerWaalsContact C-N 3.31Å; E6-C8 PolarHBondContact O-N 3Å
9D74.5Confident73Confident83 Ų8382.2 Ų82.244%0.44445%0.454SS..PPolyproline II helixtrans-73.3131.6174.5-70-37.2000108N7 Y309N7-D9 PolarHBondContact ND2-OD2 3.1Å; N7-D9 PolarHBondContact O-N 3.11Å; D9-Y309 HydrophobicContact CB-CD1 4.27Å; D9-Y309 HydrophobicContact CB-CE1 4.3Å; D9-Y309 VanDerWaalsContact O-CE1 3.31Å; D9-Y309 WeakPolarHBondContact O-CE1 3.23Å
10K90.3Very high74.3Confident181 Ų18178.1 Ų78.179%0.78743%0.431SS*.PPolyproline II helixtrans-73.1130.8174-175.3179.6176.5-178.50107.9
11P95.3Very high75.4Confident18 Ų1874.3 Ų74.312%0.11741%0.411CS..PPolyproline II helixtrans-60.6143.717526.2-34.2000110.4F13 T14 V59 V308 Y309P11-F13 VanDerWaalsContact C-N 3.28Å; P11-F13 PolarHBondContact O-N 3.08Å; P11-T14 HydrophobicContact CB-CG2 4.05Å; P11-T14 HydrophobicContact CG-CG2 3.74Å; P11-V59 HydrophobicContact CG-CG1 4.21Å; P11-V308 CarbonylContact C-O 3.47Å; P11-V308 WeakPolarHBondContact CA-O 3.48Å; P11-Y309 HydrophobicContact CB-CE1 4.04Å
12L96.1Very high78.3Confident82 Ų8263 Ų6343%0.42936%0.355SS..SBendtrans-61.6-41.4175.9-63.5172.8000110.6Y150 V308 E310L12-Y150 HydrophobicContact CD1-CE2 3.41Å; L12-Y150 VanDerWaalsContact CD1-CE2 3.41Å; L12-Y150 WeakPolarHBondContact CD1-OH 3.42Å; L12-V308 PolarHBondContact N-O 3.12Å; L12-E310 HydrophobicContact CD1-CG 3.92Å; L12-E310 HydrophobicContact CD2-CG 4.32Å; L12-E310 HydrophobicContact CG-CG 4.49Å
13F96.8Very high81.3Confident13 Ų1357.1 Ų57.16%0.05732%0.316CS..EExtended strand (participates in β ladder)trans-158.3168.6167.662-79000109.1P11 F15 F63 P146 A147 Y150 F152 V308P11-F13 VanDerWaalsContact C-N 3.28Å; P11-F13 PolarHBondContact O-N 3.08Å; F13-F15 HydrophobicContact CD2-CD1 4.35Å; F13-F15 AromaticContact CE2-CD1 3.96Å; F13-F15 HydrophobicContact CE2-CD1 3.96Å; F13-F15 HydrophobicContact CE2-CE1 4.38Å; F13-F63 AromaticContact CD2-CE1 3.93Å; F13-F63 HydrophobicContact CD2-CE1 3.93Å; F13-F63 AromaticContact CE2-CE1 3.89Å; F13-F63 HydrophobicContact CE2-CE1 3.89Å; F13-F63 HydrophobicContact CE2-CZ 4.11Å; F13-P146 HydrophobicContact CD2-CB 4.3Å; F13-P146 HydrophobicContact CD2-CG 4.31Å; F13-P146 HydrophobicContact CE1-CG 4.39Å; F13-P146 HydrophobicContact CE2-CB 4.19Å; F13-P146 HydrophobicContact CE2-CG 3.72Å; F13-P146 HydrophobicContact CZ-CG 3.77Å; F13-A147 HydrophobicContact CD1-CB 3.44Å; F13-A147 VanDerWaalsContact CD1-CB 3.44Å; F13-A147 HydrophobicContact CE1-CB 3.72Å; F13-A147 HydrophobicContact CG-CB 4.32Å; F13-Y150 HydrophobicContact CE1-CD1 4.03Å; F13-Y150 AromaticContact CE1-CD2 3.84Å; F13-Y150 HydrophobicContact CE1-CD2 3.84Å; F13-Y150 HydrophobicContact CE1-CE2 4.44Å; F13-Y150 AromaticContact CE1-CG 3.63Å; F13-Y150 HydrophobicContact CE1-CG 3.63Å; F13-Y150 HydrophobicContact CZ-CD1 4.21Å; F13-Y150 HydrophobicContact CZ-CG 4.04Å; F13-F152 AromaticContact CE2-CE2 3.88Å; F13-F152 HydrophobicContact CE2-CE2 3.88Å; F13-F152 HydrophobicContact CE2-CZ 4.17Å; F13-F152 AromaticContact CZ-CE2 3.84Å; F13-F152 HydrophobicContact CZ-CE2 3.84Å; F13-F152 HydrophobicContact CZ-CZ 4.37Å; F13-V308 HydrophobicContact CD1-CB 4.05Å; F13-V308 HydrophobicContact CD1-CG1 4.28Å; F13-V308 HydrophobicContact CD2-CB 4.41Å; F13-V308 HydrophobicContact CD2-CG2 4.12Å; F13-V308 HydrophobicContact CE1-CB 3.7Å; F13-V308 HydrophobicContact CE1-CG1 3.53Å; F13-V308 HydrophobicContact CE1-CG2 4.11Å; F13-V308 HydrophobicContact CE2-CB 4.1Å; F13-V308 HydrophobicContact CE2-CG1 4.49Å; F13-V308 HydrophobicContact CE2-CG2 3.6Å; F13-V308 HydrophobicContact CG-CB 4.39Å; F13-V308 HydrophobicContact CZ-CB 3.73Å; F13-V308 HydrophobicContact CZ-CG1 3.65Å; F13-V308 HydrophobicContact CZ-CG2 3.58Å; F13-V308 PolarHBondContact O-N 2.85Å
14T97.4Very high83.6Confident3 Ų350.3 Ų50.32%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-128.815817267.60000109.6P11 V59 K60 P61 R62 V306P11-T14 HydrophobicContact CB-CG2 4.05Å; P11-T14 HydrophobicContact CG-CG2 3.74Å; T14-V59 HydrophobicContact CG2-CB 4.31Å; T14-V59 HydrophobicContact CG2-CG1 3.49Å; T14-V59 VanDerWaalsContact CG2-CG1 3.49Å; T14-K60 VanDerWaalsContact OG1-C 3.32Å; T14-K60 PolarHBondContact OG1-O 3.46Å; T14-P61 WeakPolarHBondContact OG1-CA 3.22Å; T14-R62 WeakPolarHBondContact O-CB 3.41Å; T14-R62 PolarHBondContact O-N 3Å; T14-V306 CarbonylContact C-O 3.54Å; T14-V306 WeakPolarHBondContact CA-O 3.4Å; T14-V306 WeakPolarHBondContact CB-O 3.31Å
15F98.1Very high86.5Confident0 Ų051.8 Ų51.80%027%0.266CS..EExtended strand (participates in β ladder)trans-143.4150171.361.8-88.1000111.2F13 I17 F63 L65 F152 M269 V306 V308F13-F15 HydrophobicContact CD2-CD1 4.35Å; F13-F15 AromaticContact CE2-CD1 3.96Å; F13-F15 HydrophobicContact CE2-CD1 3.96Å; F13-F15 HydrophobicContact CE2-CE1 4.38Å; F15-I17 HydrophobicContact CD2-CB 4.49Å; F15-I17 HydrophobicContact CE2-CB 4.4Å; F15-I17 HydrophobicContact CE2-CD1 4.38Å; F15-F63 CarbonylContact C-O 3.5Å; F15-F63 WeakPolarHBondContact CA-O 3.23Å; F15-F63 HydrophobicContact CB-CD1 4.12Å; F15-F63 HydrophobicContact CB-CD2 3.73Å; F15-F63 HydrophobicContact CB-CE1 3.85Å; F15-F63 HydrophobicContact CB-CE2 3.47Å; F15-F63 VanDerWaalsContact CB-CE2 3.47Å; F15-F63 HydrophobicContact CB-CG 4.06Å; F15-F63 HydrophobicContact CB-CZ 3.54Å; F15-F63 VanDerWaalsContact CB-O 3.28Å; F15-F63 WeakPolarHBondContact CB-O 3.22Å; F15-F63 HydrophobicContact CD1-CE1 4.43Å; F15-F63 HydrophobicContact CD1-CE2 4.26Å; F15-F63 AromaticContact CD1-CZ 3.8Å; F15-F63 HydrophobicContact CD1-CZ 3.8Å; F15-F63 HydrophobicContact CD2-CE2 4.06Å; F15-F63 HydrophobicContact CD2-CZ 4.42Å; F15-F63 HydrophobicContact CG-CD2 4.41Å; F15-F63 HydrophobicContact CG-CE1 4.39Å; F15-F63 AromaticContact CG-CE2 3.7Å; F15-F63 HydrophobicContact CG-CE2 3.7Å; F15-F63 AromaticContact CG-CZ 3.69Å; F15-F63 HydrophobicContact CG-CZ 3.69Å; F15-L65 HydrophobicContact CD2-CD1 4Å; F15-L65 HydrophobicContact CD2-CG 4.09Å; F15-L65 HydrophobicContact CE2-CD1 3.74Å; F15-L65 HydrophobicContact CE2-CG 4.33Å; F15-F152 HydrophobicContact CD1-CZ 4.14Å; F15-F152 HydrophobicContact CE1-CE1 4.06Å; F15-F152 AromaticContact CE1-CZ 3.63Å; F15-F152 HydrophobicContact CE1-CZ 3.63Å; F15-F152 HydrophobicContact CE2-CE1 4.42Å; F15-F152 AromaticContact CZ-CE1 3.95Å; F15-F152 HydrophobicContact CZ-CE1 3.95Å; F15-F152 AromaticContact CZ-CZ 3.98Å; F15-F152 HydrophobicContact CZ-CZ 3.98Å; F15-M269 HydrophobicContact CE2-SD 4.25Å; F15-M269 HydrophobicContact CZ-CE 4.04Å; F15-M269 HydrophobicContact CZ-SD 4.23Å; F15-V306 HydrophobicContact CD1-CB 3.97Å; F15-V306 HydrophobicContact CD1-CG1 4.3Å; F15-V306 HydrophobicContact CD2-CB 4.12Å; F15-V306 HydrophobicContact CD2-CG2 4.31Å; F15-V306 HydrophobicContact CE1-CB 3.52Å; F15-V306 HydrophobicContact CE1-CG1 3.48Å; F15-V306 VanDerWaalsContact CE1-CG1 3.48Å; F15-V306 HydrophobicContact CE1-CG2 4.32Å; F15-V306 HydrophobicContact CE2-CB 3.68Å; F15-V306 HydrophobicContact CE2-CG1 4.29Å; F15-V306 HydrophobicContact CE2-CG2 3.63Å; F15-V306 HydrophobicContact CG-CB 4.26Å; F15-V306 HydrophobicContact CZ-CB 3.38Å; F15-V306 HydrophobicContact CZ-CG1 3.49Å; F15-V306 VanDerWaalsContact CZ-CG1 3.49Å; F15-V306 HydrophobicContact CZ-CG2 3.65Å; F15-V306 PolarHBondContact N-O 3.11Å; F15-V306 PolarHBondContact O-N 2.83Å; F15-V308 HydrophobicContact CD1-CG2 4.06Å; F15-V308 HydrophobicContact CE1-CG2 3.68Å
16G98.1Very high89.1Confident0 Ų045.7 Ų45.70%024%0.236CC..EExtended strand (participates in β ladder)trans-82.8149.5171.700000109.8F63 I64 L65G16-F63 PolarHBondContact N-O 2.9Å; G16-I64 CarbonylContact O-C 3.59Å; G16-I64 WeakPolarHBondContact O-CA 3.45Å; G16-L65 PolarHBondContact O-N 3.24Å
17I98.8Very high91.8Very high0 Ų042.1 Ų42.10%022%0.223CC..EExtended strand (participates in β ladder)trans-140.8136.7176.3-162.3174.6000111.4F15 L65 L67 M269 L290 F303 G304 V306 L315 M321F15-I17 HydrophobicContact CD2-CB 4.49Å; F15-I17 HydrophobicContact CE2-CB 4.4Å; F15-I17 HydrophobicContact CE2-CD1 4.38Å; I17-L65 WeakPolarHBondContact CA-O 3.41Å; I17-L65 HydrophobicContact CG1-CB 4.06Å; I17-L67 HydrophobicContact CD1-CD1 4.17Å; I17-L67 HydrophobicContact CG1-CD1 4.43Å; I17-L67 HydrophobicContact CG1-CG 4.37Å; I17-M269 HydrophobicContact CD1-CB 4.46Å; I17-M269 HydrophobicContact CD1-SD 3.58Å; I17-M269 VanDerWaalsContact CD1-SD 3.58Å; I17-L290 HydrophobicContact CB-CD2 4.29Å; I17-L290 HydrophobicContact CD1-CD1 4Å; I17-L290 HydrophobicContact CD1-CD2 3.6Å; I17-L290 HydrophobicContact CD1-CG 4.42Å; I17-L290 HydrophobicContact CG1-CD2 3.45Å; I17-L290 VanDerWaalsContact CG1-CD2 3.45Å; I17-L290 HydrophobicContact CG2-CD2 4.1Å; I17-F303 WeakPolarHBondContact O-CA 3.21Å; I17-G304 PolarHBondContact N-O 3.36Å; I17-G304 PolarHBondContact O-N 3.32Å; I17-V306 HydrophobicContact CG2-CG2 4.16Å; I17-L315 HydrophobicContact CG2-CD1 4.14Å; I17-M321 HydrophobicContact CG2-SD 4.45Å
18I98.9Very high94.3Very high0 Ų041.1 Ų41.10%022%0.218CC..EExtended strand (participates in β ladder)trans-153.6150.1-179.1-164.8166.8000110.2I21 L47 A50 W54 L65 Q66 L67 V293 F303I18-I21 HydrophobicContact CD1-CD1 4.34Å; I18-I21 HydrophobicContact CD1-CG1 4.2Å; I18-I21 HydrophobicContact CG1-CG1 4.34Å; I18-I21 HydrophobicContact CG2-CD1 4.33Å; I18-L47 HydrophobicContact CD1-CD1 4.02Å; I18-A50 HydrophobicContact CD1-CB 4.22Å; I18-W54 HydrophobicContact CB-CH2 4.15Å; I18-W54 HydrophobicContact CG2-CH2 4.15Å; I18-L65 PolarHBondContact N-O 3.33Å; I18-Q66 HydrophobicContact CG2-CB 4.13Å; I18-Q66 HydrophobicContact CG2-CG 4.27Å; I18-Q66 WeakPolarHBondContact O-CA 3.4Å; I18-L67 PolarHBondContact O-N 2.97Å; I18-V293 HydrophobicContact CD1-CG2 3.78Å; I18-V293 HydrophobicContact CG1-CG2 3.53Å; I18-F303 HydrophobicContact CB-CB 4.22Å; I18-F303 HydrophobicContact CD1-CB 4.1Å; I18-F303 HydrophobicContact CG1-CB 4.03Å
19A98.8Very high96.5Very high0 Ų035.7 Ų35.70%018%0.184CC..  trans-139.2149.4-177.200000111.8I21 L67 L290 V293A19-I21 PolarHBondContact O-N 2.84Å; A19-L67 HydrophobicContact CB-CB 3.89Å; A19-L67 HydrophobicContact CB-CD1 4.42Å; A19-L67 HydrophobicContact CB-CG 4.36Å; A19-L290 HydrophobicContact CB-CB 3.66Å; A19-L290 HydrophobicContact CB-CD2 4.14Å; A19-V293 WeakPolarHBondContact O-CG2 3.49Å; A19-V293 PolarHBondContact O-N 3.17Å; A19-V293 VanDerWaalsContact O-N 3.09Å
20D98.8Very high97.5Very high0 Ų036.3 Ų36.30%018%0.183CC..  trans52.155.3167.4-54.6-88.9000113.4Q22 G68 D69 H235 G271 H272 H274 V293 I294D20-Q22 VanDerWaalsContact C-N 3.31Å; D20-G68 PolarHBondContact N-O 2.87Å; D20-D69 CarbonylContact C-O 3.53Å; D20-D69 HydrophobicContact CB-CB 4.44Å; D20-D69 WeakPolarHBondContact OD1-CB 3.3Å; D20-H235 IonicContact OD1-CE1 3.66Å; D20-H235 PolarHBondContact OD1-CE1 2.83Å; D20-G271 WeakPolarHBondContact OD2-CA 3.29Å; D20-H272 PolarHBondContact OD1-N 3.19Å; D20-H272 PolarHBondContact OD2-N 3.09Å; D20-H274 IonicContact OD1-CD2 2.72Å; D20-H274 IonicContact OD1-NE2 3Å; D20-H274 PolarHBondContact OD1-NE2 2.9Å; D20-V293 PolarHBondContact O-N 3.36Å; D20-I294 HydrophobicContact CB-CG2 4.24Å; D20-I294 WeakPolarHBondContact O-CB 3.5Å; D20-I294 WeakPolarHBondContact O-CG2 3.35Å; D20-I294 PolarHBondContact O-N 2.83Å
21I98.9Very high97.4Very high0 Ų029 Ų290%015%0.153CC..  trans-62.4-43.1175.1-63.6162000109.5I18 A19 Y23 S43 L47 Q66 D69 I70 F92 V293I18-I21 HydrophobicContact CD1-CD1 4.34Å; I18-I21 HydrophobicContact CD1-CG1 4.2Å; I18-I21 HydrophobicContact CG1-CG1 4.34Å; I18-I21 HydrophobicContact CG2-CD1 4.33Å; A19-I21 PolarHBondContact O-N 2.84Å; I21-Y23 PolarHBondContact O-N 3.37Å; I21-Y23 VanDerWaalsContact O-N 3.09Å; I21-S43 WeakPolarHBondContact O-CB 3.28Å; I21-S43 PolarHBondContact O-OG 3.45Å; I21-L47 HydrophobicContact CD1-CD1 4.21Å; I21-L47 HydrophobicContact CD1-CD2 4.22Å; I21-Q66 HydrophobicContact CD1-CG 4.22Å; I21-D69 PolarHBondContact N-O 2.9Å; I21-D69 VanDerWaalsContact N-O 3.09Å; I21-I70 HydrophobicContact CD1-CG1 4.2Å; I21-F92 HydrophobicContact CD1-CE2 4.19Å; I21-F92 HydrophobicContact CD1-CZ 4.07Å; I21-V293 HydrophobicContact CG1-CG2 4.47Å
22Q98.7Very high96.6Very high1 Ų135.1 Ų35.11%0.00518%0.178CC..  trans39.649179.8-62.9-178.9-6.600112.7D20 A24 R38 D69 I70 D72 H106 H274 I294D20-Q22 VanDerWaalsContact C-N 3.31Å; Q22-A24 PolarHBondContact O-N 2.94Å; Q22-R38 VanDerWaalsContact OE1-NH1 3.12Å; Q22-D69 WeakPolarHBondContact CA-O 3.37Å; Q22-D69 HydrophobicContact CG-CB 3.76Å; Q22-D69 WeakPolarHBondContact CG-O 3.39Å; Q22-D69 PolarHBondContact N-O 3.08Å; Q22-D69 PolarHBondContact NE2-OD2 3.42Å; Q22-I70 PolarHBondContact N-O 3.08Å; Q22-D72 HydrophobicContact CB-CB 4.09Å; Q22-H106 PolarHBondContact NE2-CD2 3.39Å; Q22-H106 PolarHBondContact NE2-NE2 2.95Å; Q22-H274 PolarHBondContact NE2-NE2 2.98Å; Q22-I294 HydrophobicContact CB-CB 3.86Å; Q22-I294 HydrophobicContact CB-CD1 4.03Å; Q22-I294 HydrophobicContact CB-CG1 3.78Å; Q22-I294 HydrophobicContact CB-CG2 4.32Å; Q22-I294 HydrophobicContact CG-CB 4.38Å; Q22-I294 HydrophobicContact CG-CG2 4.3Å
23Y98.9Very high95.7Very high23 Ų2337.5 Ų37.59%0.0919%0.185CC..BIsolated β-bridgetrans-62.6138.4178.2172.7-106.7000111.6I21 Y40 S43 L44 I70 I71 D72 N75 A84 T87 V88I21-Y23 PolarHBondContact O-N 3.37Å; I21-Y23 VanDerWaalsContact O-N 3.09Å; Y23-Y40 WeakPolarHBondContact CD2-O 3.43Å; Y23-S43 WeakPolarHBondContact CA-OG 3.38Å; Y23-L44 HydrophobicContact CD2-CB 3.76Å; Y23-L44 HydrophobicContact CE2-CB 3.91Å; Y23-L44 HydrophobicContact CE2-CD2 4.07Å; Y23-L44 HydrophobicContact CE2-CG 4.48Å; Y23-I70 PolarHBondContact N-O 2.83Å; Y23-I71 WeakPolarHBondContact O-CA 3.37Å; Y23-D72 PolarHBondContact O-N 2.91Å; Y23-N75 PolarHBondContact O-ND2 3.48Å; Y23-A84 HydrophobicContact CD1-CB 4.06Å; Y23-A84 HydrophobicContact CE1-CB 4.26Å; Y23-T87 HydrophobicContact CD1-CG2 4.45Å; Y23-T87 HydrophobicContact CE1-CG2 3.69Å; Y23-V88 VanDerWaalsContact CB-CG2 3.45Å; Y23-V88 HydrophobicContact CD1-CG2 3.74Å; Y23-V88 HydrophobicContact CG-CG2 3.8Å
24A98.7Very high95.3Very high0 Ų045.8 Ų45.80%022%0.216CC..  trans-153.8145.116500000110Q22 I26 Y40 D72 N75Q22-A24 PolarHBondContact O-N 2.94Å; A24-I26 HydrophobicContact CB-CD1 4.07Å; A24-I26 HydrophobicContact CB-CG1 3.84Å; A24-I26 PolarHBondContact O-N 3.31Å; A24-Y40 HydrophobicContact CB-CD1 4.17Å; A24-Y40 HydrophobicContact CB-CG 4.36Å; A24-Y40 CarbonylContact O-C 3.56Å; A24-Y40 VanDerWaalsContact O-CB 3.25Å; A24-Y40 WeakPolarHBondContact O-CB 3.13Å; A24-D72 HydrophobicContact CB-CB 4.01Å; A24-N75 WeakPolarHBondContact CB-OD1 3.34Å
25D98.3Very high94.9Very high103 Ų10348.8 Ų48.855%0.55124%0.236SC*.SBendtrans-82.861.1177.6-172.714.8000111.9R41D25-R41 PolarHBondContact O-NH2 3.49Å; D25-R41 IonicContact OD1-CZ 3.92Å; D25-R41 IonicContact OD1-NE 3.7Å; D25-R41 PolarHBondContact OD1-NE 2.98Å; D25-R41 IonicContact OD1-NH2 3.66Å; D25-R41 PolarHBondContact OD1-NH2 3.34Å
26I97.9Very high94.6Very high34 Ų3453.6 Ų53.617%0.17426%0.255CS..SBendtrans-135.7165.9-17961.1172.9000110.7A24 Y40 R41 F74A24-I26 HydrophobicContact CB-CD1 4.07Å; A24-I26 HydrophobicContact CB-CG1 3.84Å; A24-I26 PolarHBondContact O-N 3.31Å; I26-Y40 HydrophobicContact CD1-CD1 4.2Å; I26-Y40 HydrophobicContact CD1-CD2 3.61Å; I26-Y40 HydrophobicContact CD1-CE1 4.32Å; I26-Y40 HydrophobicContact CD1-CE2 3.72Å; I26-Y40 HydrophobicContact CD1-CG 3.85Å; I26-Y40 HydrophobicContact CG1-CD1 4.42Å; I26-Y40 HydrophobicContact CG1-CD2 3.57Å; I26-Y40 HydrophobicContact CG1-CE2 4.19Å; I26-Y40 HydrophobicContact CG1-CG 3.7Å; I26-R41 PolarHBondContact O-NH1 3.39Å; I26-F74 HydrophobicContact CD1-CB 4.03Å; I26-F74 HydrophobicContact CD1-CD2 3.44Å; I26-F74 VanDerWaalsContact CD1-CD2 3.44Å; I26-F74 HydrophobicContact CD1-CE2 4.31Å; I26-F74 HydrophobicContact CD1-CG 4.21Å
27D98.3Very high94.6Very high123 Ų12357.3 Ų57.366%0.65827%0.271SS*.  trans-66.8153.1175.3-65.8-18.2000111.6G29 Y40 R41D27-G29 PolarHBondContact O-N 2.88Å; D27-Y40 VanDerWaalsContact O-CD2 3.3Å; D27-Y40 WeakPolarHBondContact O-CD2 3.45Å; D27-R41 IonicContact OD1-CZ 3.06Å; D27-R41 IonicContact OD1-NH1 3.48Å; D27-R41 PolarHBondContact OD1-NH1 3.48Å; D27-R41 IonicContact OD1-NH2 2.77Å
28D98.2Very high94.6Very high69 Ų6959.1 Ų59.137%0.36928%0.278SS..  trans-50.9139.4176.1-66.7-9.1000111.6K37 R38 Y39D28-K37 WeakPolarHBondContact OD2-CE 3.39Å; D28-K37 IonicContact OD2-NZ 3.62Å; D28-K37 PolarHBondContact OD2-NZ 3.36Å; D28-R38 CarbonylContact C-O 3.54Å; D28-R38 VanDerWaalsContact CA-O 3.31Å; D28-R38 WeakPolarHBondContact CA-O 3.41Å; D28-R38 WeakPolarHBondContact CB-O 3.42Å; D28-Y39 VanDerWaalsContact OD2-CD1 3.31Å; D28-Y39 WeakPolarHBondContact OD2-CD1 3.39Å
29G96.6Very high94.6Very high17 Ų1760.9 Ų60.918%0.17529%0.285CS..EExtended strand (participates in β ladder)trans-126.5-157.3-178.800000112.1D27 K37 R38D27-G29 PolarHBondContact O-N 2.88Å; G29-K37 WeakPolarHBondContact O-CA 3.46Å; G29-K37 WeakPolarHBondContact O-CG 3.39Å; G29-R38 PolarHBondContact N-O 3.48Å; G29-R38 PolarHBondContact O-N 2.64Å
30F94.8Very high94.6Very high96 Ų9661 Ų6142%0.42129%0.285SS..EExtended strand (participates in β ladder)trans-136.7158.8174.1-65.8-95.4000109.8R34 R36 K37F30-R34 HydrophobicContact CB-CB 4.43Å; F30-R34 HydrophobicContact CB-CG 4.47Å; F30-R36 CarbonylContact C-O 3.56Å; F30-R36 WeakPolarHBondContact CA-O 3.49Å; F30-R36 WeakPolarHBondContact CB-O 3.47Å; F30-R36 WeakPolarHBondContact CD1-O 3.43Å; F30-K37 HydrophobicContact CD1-CB 4.18Å; F30-K37 HydrophobicContact CE1-CB 3.99Å; F30-K37 HydrophobicContact CE1-CG 4.28Å; F30-K37 HydrophobicContact CZ-CG 4.47Å
31N88.7Confident94.6Very high27 Ų2766.1 Ų66.114%0.14430%0.304CS..  trans-61168.8166.272.9-8.1000111.1K33 R34 S35 R36N31-K33 VanDerWaalsContact C-N 3.29Å; N31-K33 PolarHBondContact O-N 2.93Å; N31-R34 WeakPolarHBondContact O-CA 3.48Å; N31-R34 PolarHBondContact O-N 3.47Å; N31-R34 WeakPolarHBondContact OD1-CA 3.42Å; N31-R34 PolarHBondContact OD1-N 3.48Å; N31-S35 PolarHBondContact ND2-OG 3.09Å; N31-S35 PolarHBondContact OD1-N 3.23Å; N31-S35 PolarHBondContact OD1-OG 2.86Å; N31-R36 HydrophobicContact CB-CB 4.33Å; N31-R36 PolarHBondContact N-O 2.91Å; N31-R36 PolarHBondContact OD1-N 2.87Å; N31-R36 VanDerWaalsContact OD1-N 3.1Å
32F78.7Confident94.5Very high146 Ų14666.9 Ų66.964%0.6431%0.308SS*.THydrogen-bonded Turntrans-54.4-42.1-175.2-177.7-94.7000113.4R34 H190F32-R34 PolarHBondContact O-N 3.02Å; F32-H190 AromaticContact CE1-CD2 3.54Å; F32-H190 AromaticContact CE1-NE2 3.18Å; F32-H190 WeakPolarHBondContact CE1-NE2 3.46Å; F32-H190 AromaticContact CZ-CD2 3.85Å; F32-H190 AromaticContact CZ-NE2 3.2Å; F32-H190 WeakPolarHBondContact CZ-NE2 3.45Å
33K77.8Confident94.5Very high132 Ų13266.8 Ų66.857%0.57431%0.308SS*.THydrogen-bonded Turntrans-77.60.9178.5-62.9-175.9-177.5174.40113.9N31 S35N31-K33 VanDerWaalsContact C-N 3.29Å; N31-K33 PolarHBondContact O-N 2.93Å; K33-S35 PolarHBondContact O-N 2.97Å; K33-S35 VanDerWaalsContact O-N 3.15Å
34R87.4Confident94.5Very high188 Ų18867.1 Ų67.171%0.70931%0.311SS*.SBendtrans53.227.9-174.3-56.4-17665.6113.63.8114.4F30 N31 F32F30-R34 HydrophobicContact CB-CB 4.43Å; F30-R34 HydrophobicContact CB-CG 4.47Å; N31-R34 WeakPolarHBondContact O-CA 3.48Å; N31-R34 PolarHBondContact O-N 3.47Å; N31-R34 WeakPolarHBondContact OD1-CA 3.42Å; N31-R34 PolarHBondContact OD1-N 3.48Å; F32-R34 PolarHBondContact O-N 3.02Å
35S89.3Confident94.5Very high65 Ų6572.1 Ų72.146%0.45533%0.33SS..  trans-98.4-15.7-177.962.30000113.6N31 K33N31-S35 PolarHBondContact ND2-OG 3.09Å; N31-S35 PolarHBondContact OD1-N 3.23Å; N31-S35 PolarHBondContact OD1-OG 2.86Å; K33-S35 PolarHBondContact O-N 2.97Å; K33-S35 VanDerWaalsContact O-N 3.15Å
36R93.2Very high94.5Very high102 Ų10267.2 Ų67.239%0.38530%0.304SS..SBendtrans-135.1136.4179.2-61.1-74.3-175.6-89.9-2.7109.8F30 N31 D275 E295F30-R36 CarbonylContact C-O 3.56Å; F30-R36 WeakPolarHBondContact CA-O 3.49Å; F30-R36 WeakPolarHBondContact CB-O 3.47Å; F30-R36 WeakPolarHBondContact CD1-O 3.43Å; N31-R36 HydrophobicContact CB-CB 4.33Å; N31-R36 PolarHBondContact N-O 2.91Å; N31-R36 PolarHBondContact OD1-N 2.87Å; N31-R36 VanDerWaalsContact OD1-N 3.1Å; R36-D275 IonicContact CZ-OD1 3.45Å; R36-D275 IonicContact CZ-OD2 3.33Å; R36-D275 IonicContact NE-OD1 3.87Å; R36-D275 PolarHBondContact NE-OD1 3.45Å; R36-D275 IonicContact NE-OD2 3.8Å; R36-D275 PolarHBondContact NE-OD2 2.92Å; R36-D275 IonicContact NH2-OD1 3.35Å; R36-D275 IonicContact NH2-OD2 3.68Å; R36-D275 PolarHBondContact NH2-OD2 2.86Å; R36-E295 VanDerWaalsContact CB-CD 3.45Å; R36-E295 HydrophobicContact CB-CG 4.23Å; R36-E295 WeakPolarHBondContact CB-OE2 3.16Å; R36-E295 VanDerWaalsContact CG-OE2 3.22Å; R36-E295 WeakPolarHBondContact CG-OE2 3.34Å
37K97.3Very high94.5Very high77 Ų7765.6 Ų65.634%0.33530%0.296SS..EExtended strand (participates in β ladder)trans-84137.4176.2-171.6174.1173.1-164.50109.2D28 G29 F30 Y39D28-K37 WeakPolarHBondContact OD2-CE 3.39Å; D28-K37 IonicContact OD2-NZ 3.62Å; D28-K37 PolarHBondContact OD2-NZ 3.36Å; G29-K37 WeakPolarHBondContact O-CA 3.46Å; G29-K37 WeakPolarHBondContact O-CG 3.39Å; F30-K37 HydrophobicContact CD1-CB 4.18Å; F30-K37 HydrophobicContact CE1-CB 3.99Å; F30-K37 HydrophobicContact CE1-CG 4.28Å; F30-K37 HydrophobicContact CZ-CG 4.47Å; K37-Y39 HydrophobicContact CB-CE2 4.2Å; K37-Y39 HydrophobicContact CD-CD1 4.45Å; K37-Y39 HydrophobicContact CD-CE1 3.67Å; K37-Y39 HydrophobicContact CD-CE2 4.49Å; K37-Y39 HydrophobicContact CG-CE1 4.13Å; K37-Y39 HydrophobicContact CG-CE2 4.23Å
38R98.4Very high94.4Very high39 Ų3964 Ų6415%0.14728%0.284CS..EExtended strand (participates in β ladder)trans-110.6130.2177.3-70.6-171.3175-165.81.2110.3Q22 D28 G29 Y40 D72 H274 I294 E295Q22-R38 VanDerWaalsContact OE1-NH1 3.12Å; D28-R38 CarbonylContact C-O 3.54Å; D28-R38 VanDerWaalsContact CA-O 3.31Å; D28-R38 WeakPolarHBondContact CA-O 3.41Å; D28-R38 WeakPolarHBondContact CB-O 3.42Å; G29-R38 PolarHBondContact N-O 3.48Å; G29-R38 PolarHBondContact O-N 2.64Å; R38-Y40 HydrophobicContact CB-CE1 4.2Å; R38-Y40 HydrophobicContact CB-CE2 4.08Å; R38-D72 IonicContact NH1-OD2 3.22Å; R38-H274 PolarHBondContact NH2-CE1 2.89Å; R38-I294 CarbonylContact C-O 3.28Å; R38-I294 WeakPolarHBondContact CA-O 3.19Å; R38-I294 HydrophobicContact CB-CD1 4.12Å; R38-I294 HydrophobicContact CB-CG1 3.9Å; R38-I294 HydrophobicContact CG-CG1 3.97Å; R38-E295 HydrophobicContact CG-CG 3.97Å; R38-E295 IonicContact NE-OE1 3.56Å
39Y98.6Very high94.4Very high37 Ų3763.2 Ų63.215%0.14528%0.28CS..  trans-112.673.3-172.3-55.8-91.4000111.6D28 K37 R41 N42 S43 I294 T296 P297 P298D28-Y39 VanDerWaalsContact OD2-CD1 3.31Å; D28-Y39 WeakPolarHBondContact OD2-CD1 3.39Å; K37-Y39 HydrophobicContact CB-CE2 4.2Å; K37-Y39 HydrophobicContact CD-CD1 4.45Å; K37-Y39 HydrophobicContact CD-CE1 3.67Å; K37-Y39 HydrophobicContact CD-CE2 4.49Å; K37-Y39 HydrophobicContact CG-CE1 4.13Å; K37-Y39 HydrophobicContact CG-CE2 4.23Å; Y39-R41 PolarHBondContact O-N 2.93Å; Y39-N42 WeakPolarHBondContact O-CB 3.2Å; Y39-N42 PolarHBondContact O-N 3.41Å; Y39-S43 PolarHBondContact O-N 3.25Å; Y39-S43 VanDerWaalsContact O-N 3.1Å; Y39-I294 PolarHBondContact N-O 3.13Å; Y39-T296 VanDerWaalsContact CD2-O 3.26Å; Y39-T296 WeakPolarHBondContact CD2-O 3.43Å; Y39-P297 HydrophobicContact CE2-CB 4.09Å; Y39-P298 HydrophobicContact CD1-CG 4.38Å
40Y98.7Very high94.4Very high3 Ų362.4 Ų62.41%0.01227%0.271CS..THydrogen-bonded Turntrans-59.2-46.8-167.3-58.9-76.2000115.1Y23 A24 I26 D27 R38 S43 D72 F74 I294Y23-Y40 WeakPolarHBondContact CD2-O 3.43Å; A24-Y40 HydrophobicContact CB-CD1 4.17Å; A24-Y40 HydrophobicContact CB-CG 4.36Å; A24-Y40 CarbonylContact O-C 3.56Å; A24-Y40 VanDerWaalsContact O-CB 3.25Å; A24-Y40 WeakPolarHBondContact O-CB 3.13Å; I26-Y40 HydrophobicContact CD1-CD1 4.2Å; I26-Y40 HydrophobicContact CD1-CD2 3.61Å; I26-Y40 HydrophobicContact CD1-CE1 4.32Å; I26-Y40 HydrophobicContact CD1-CE2 3.72Å; I26-Y40 HydrophobicContact CD1-CG 3.85Å; I26-Y40 HydrophobicContact CG1-CD1 4.42Å; I26-Y40 HydrophobicContact CG1-CD2 3.57Å; I26-Y40 HydrophobicContact CG1-CE2 4.19Å; I26-Y40 HydrophobicContact CG1-CG 3.7Å; D27-Y40 VanDerWaalsContact O-CD2 3.3Å; D27-Y40 WeakPolarHBondContact O-CD2 3.45Å; R38-Y40 HydrophobicContact CB-CE1 4.2Å; R38-Y40 HydrophobicContact CB-CE2 4.08Å; Y40-S43 PolarHBondContact O-OG 3.01Å; Y40-D72 HydrophobicContact CD1-CB 4.04Å; Y40-D72 HydrophobicContact CE1-CB 4.02Å; Y40-D72 WeakPolarHBondContact CE1-OD2 3.19Å; Y40-F74 HydrophobicContact CE1-CD2 4.26Å; Y40-F74 HydrophobicContact CE2-CE2 4.49Å; Y40-F74 AromaticContact CZ-CD2 3.92Å; Y40-F74 AromaticContact CZ-CE2 3.88Å; Y40-F74 WeakPolarHBondContact OH-CE2 3.47Å; Y40-I294 HydrophobicContact CD1-CD1 3.6Å; Y40-I294 HydrophobicContact CE1-CD1 4.01Å; Y40-I294 HydrophobicContact CG-CD1 4.16Å
41R98.6Very high94.4Very high106 Ų10658 Ų5840%0.425%0.252SS..THydrogen-bonded Turntrans-75.3-31.5177.5-67-176.9-1741111112.3D25 I26 D27 Y39 S43 L44D25-R41 PolarHBondContact O-NH2 3.49Å; D25-R41 IonicContact OD1-CZ 3.92Å; D25-R41 IonicContact OD1-NE 3.7Å; D25-R41 PolarHBondContact OD1-NE 2.98Å; D25-R41 IonicContact OD1-NH2 3.66Å; D25-R41 PolarHBondContact OD1-NH2 3.34Å; I26-R41 PolarHBondContact O-NH1 3.39Å; D27-R41 IonicContact OD1-CZ 3.06Å; D27-R41 IonicContact OD1-NH1 3.48Å; D27-R41 PolarHBondContact OD1-NH1 3.48Å; D27-R41 IonicContact OD1-NH2 2.77Å; Y39-R41 PolarHBondContact O-N 2.93Å; R41-S43 PolarHBondContact O-N 2.99Å; R41-L44 PolarHBondContact O-N 2.83Å
42N98.4Very high94.7Very high16 Ų1663.6 Ų63.69%0.08628%0.275CS..Hα-helixtrans-65.8-30.2-179.7-176.356.4000111.8Y39 L44 R45 L46 T296Y39-N42 WeakPolarHBondContact O-CB 3.2Å; Y39-N42 PolarHBondContact O-N 3.41Å; N42-L44 PolarHBondContact O-N 2.96Å; N42-R45 WeakPolarHBondContact O-CA 3.13Å; N42-R45 WeakPolarHBondContact O-CB 3.26Å; N42-R45 PolarHBondContact O-N 3.41Å; N42-R45 PolarHBondContact OD1-NE 2.97Å; N42-R45 PolarHBondContact OD1-NH2 2.8Å; N42-L46 PolarHBondContact O-N 2.93Å; N42-T296 PolarHBondContact ND2-O 3.13Å
43S98.4Very high95.5Very high0 Ų061 Ų610%026%0.261CS..Hα-helixtrans-59.9-33-178.668.80000113.1I21 Y23 Y39 Y40 R41 L46 L47I21-S43 WeakPolarHBondContact O-CB 3.28Å; I21-S43 PolarHBondContact O-OG 3.45Å; Y23-S43 WeakPolarHBondContact CA-OG 3.38Å; Y39-S43 PolarHBondContact O-N 3.25Å; Y39-S43 VanDerWaalsContact O-N 3.1Å; Y40-S43 PolarHBondContact O-OG 3.01Å; R41-S43 PolarHBondContact O-N 2.99Å; S43-L46 PolarHBondContact O-N 2.89Å; S43-L47 PolarHBondContact O-N 3.4Å
44L98.3Very high96.3Very high29 Ų2955 Ų5515%0.15224%0.235CC..Hα-helixtrans-64.8-40.1173.1-166.770.8000112Y23 R41 N42 L46 L47 H48 T87 V88 E91Y23-L44 HydrophobicContact CD2-CB 3.76Å; Y23-L44 HydrophobicContact CE2-CB 3.91Å; Y23-L44 HydrophobicContact CE2-CD2 4.07Å; Y23-L44 HydrophobicContact CE2-CG 4.48Å; R41-L44 PolarHBondContact O-N 2.83Å; N42-L44 PolarHBondContact O-N 2.96Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 2.96Å; L44-L47 PolarHBondContact O-N 2.87Å; L44-H48 PolarHBondContact O-N 2.77Å; L44-T87 HydrophobicContact CD1-CG2 4.13Å; L44-T87 HydrophobicContact CD2-CG2 3.57Å; L44-V88 HydrophobicContact CD1-CG2 4.24Å; L44-E91 HydrophobicContact CD1-CG 3.58Å; L44-E91 HydrophobicContact CG-CG 4.08Å
45R97.9Very high96.5Very high105 Ų10548.5 Ų48.540%0.39622%0.218SC..Hα-helixtrans-63.9-38.2174.2-174.2-176.264.994.931111.4N42 H48 N49 P298N42-R45 WeakPolarHBondContact O-CA 3.13Å; N42-R45 WeakPolarHBondContact O-CB 3.26Å; N42-R45 PolarHBondContact O-N 3.41Å; N42-R45 PolarHBondContact OD1-NE 2.97Å; N42-R45 PolarHBondContact OD1-NH2 2.8Å; R45-H48 WeakPolarHBondContact O-CB 3.46Å; R45-H48 PolarHBondContact O-N 3.4Å; R45-N49 PolarHBondContact O-N 3.09Å; R45-N49 PolarHBondContact O-OD1 3.1Å; R45-P298 PolarHBondContact NH1-O 3.1Å; R45-P298 VanDerWaalsContact NH2-C 3.25Å; R45-P298 PolarHBondContact NH2-O 2.69Å
46L98.4Very high96.5Very high1 Ų148.9 Ų48.91%0.00523%0.225CC..Hα-helixtrans-69.7-38.4177-61.7-171.6000112N42 S43 L44 H48 N49 A50 V293 T296 S300 D301N42-L46 PolarHBondContact O-N 2.93Å; S43-L46 PolarHBondContact O-N 2.89Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 2.96Å; L46-H48 VanDerWaalsContact C-N 3.32Å; L46-H48 PolarHBondContact O-N 3.1Å; L46-N49 WeakPolarHBondContact O-CB 3.46Å; L46-N49 PolarHBondContact O-N 2.67Å; L46-A50 PolarHBondContact O-N 2.97Å; L46-V293 HydrophobicContact CB-CG1 3.81Å; L46-V293 HydrophobicContact CD1-CG1 3.88Å; L46-V293 HydrophobicContact CG-CG1 4.4Å; L46-T296 HydrophobicContact CD1-CG2 3.72Å; L46-S300 WeakPolarHBondContact CD2-O 3.33Å; L46-D301 WeakPolarHBondContact CD2-OD1 3.27Å
47L98.3Very high96.1Very high0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-60.8-42.9170.2175.561.4000111.3I18 I21 S43 L44 N49 A50 Q51 V88 E91 F92I18-L47 HydrophobicContact CD1-CD1 4.02Å; I21-L47 HydrophobicContact CD1-CD1 4.21Å; I21-L47 HydrophobicContact CD1-CD2 4.22Å; S43-L47 PolarHBondContact O-N 3.4Å; L44-L47 PolarHBondContact O-N 2.87Å; L47-N49 VanDerWaalsContact C-N 3.31Å; L47-N49 PolarHBondContact O-N 2.96Å; L47-A50 WeakPolarHBondContact O-CB 3.43Å; L47-A50 PolarHBondContact O-N 3.25Å; L47-A50 VanDerWaalsContact O-N 3.13Å; L47-Q51 HydrophobicContact CD1-CG 4.44Å; L47-Q51 PolarHBondContact O-N 3.1Å; L47-V88 HydrophobicContact CD2-CG1 3.61Å; L47-E91 HydrophobicContact CD2-CB 3.71Å; L47-E91 HydrophobicContact CD2-CG 4.38Å; L47-E91 HydrophobicContact CG-CB 4.08Å; L47-F92 HydrophobicContact CD1-CE1 3.79Å; L47-F92 HydrophobicContact CD1-CE2 4Å; L47-F92 HydrophobicContact CD1-CZ 3.5Å; L47-F92 VanDerWaalsContact CD1-CZ 3.5Å; L47-F92 HydrophobicContact CD2-CD2 4.08Å; L47-F92 HydrophobicContact CD2-CE2 3.68Å; L47-F92 HydrophobicContact CD2-CZ 4.08Å; L47-F92 HydrophobicContact CG-CZ 4.45Å
48H97.3Very high95.3Very high90 Ų9048.9 Ų48.942%0.41724%0.242SC..Hα-helixtrans-59.2-42175-17578.6000112.1L44 R45 L46 A50 Q51 K52 E91L44-H48 PolarHBondContact O-N 2.77Å; R45-H48 WeakPolarHBondContact O-CB 3.46Å; R45-H48 PolarHBondContact O-N 3.4Å; L46-H48 VanDerWaalsContact C-N 3.32Å; L46-H48 PolarHBondContact O-N 3.1Å; H48-A50 VanDerWaalsContact C-N 3.34Å; H48-A50 PolarHBondContact O-N 2.82Å; H48-Q51 PolarHBondContact O-N 3.01Å; H48-K52 WeakPolarHBondContact O-CB 3.35Å; H48-K52 PolarHBondContact O-N 3.48Å; H48-E91 IonicContact CG-OE2 3.74Å; H48-E91 IonicContact ND1-OE2 3.68Å; H48-E91 PolarHBondContact ND1-OE2 3.42Å
49N96.7Very high94.6Very high51 Ų5150.1 Ų50.127%0.27325%0.254SS..Hα-helixtrans-60.5-43.4174-70.2-13.2000111.7R45 L46 L47 K52 R53 D301R45-N49 PolarHBondContact O-N 3.09Å; R45-N49 PolarHBondContact O-OD1 3.1Å; L46-N49 WeakPolarHBondContact O-CB 3.46Å; L46-N49 PolarHBondContact O-N 2.67Å; L47-N49 VanDerWaalsContact C-N 3.31Å; L47-N49 PolarHBondContact O-N 2.96Å; N49-K52 PolarHBondContact O-N 3.37Å; N49-R53 WeakPolarHBondContact O-CB 3.34Å; N49-R53 PolarHBondContact O-N 2.72Å; N49-D301 WeakPolarHBondContact CB-OD1 3.4Å; N49-D301 PolarHBondContact ND2-OD1 3.47Å
50A97Very high94.3Very high0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-59.8-49176.700000111.6I18 L46 L47 H48 K52 R53 W54 F303I18-A50 HydrophobicContact CD1-CB 4.22Å; L46-A50 PolarHBondContact O-N 2.97Å; L47-A50 WeakPolarHBondContact O-CB 3.43Å; L47-A50 PolarHBondContact O-N 3.25Å; L47-A50 VanDerWaalsContact O-N 3.13Å; H48-A50 VanDerWaalsContact C-N 3.34Å; H48-A50 PolarHBondContact O-N 2.82Å; A50-K52 PolarHBondContact O-N 2.87Å; A50-R53 WeakPolarHBondContact O-CB 3.11Å; A50-R53 PolarHBondContact O-N 3.22Å; A50-R53 VanDerWaalsContact O-N 3.08Å; A50-W54 HydrophobicContact CB-CD2 4.48Å; A50-W54 HydrophobicContact CB-CE3 4.22Å; A50-W54 HydrophobicContact CB-CH2 3.84Å; A50-W54 HydrophobicContact CB-CZ2 4.11Å; A50-W54 HydrophobicContact CB-CZ3 3.89Å; A50-W54 PolarHBondContact O-N 2.82Å; A50-F303 HydrophobicContact CB-CB 4.04Å; A50-F303 HydrophobicContact CB-CD1 3.67Å; A50-F303 HydrophobicContact CB-CD2 3.59Å; A50-F303 HydrophobicContact CB-CE1 3.98Å; A50-F303 HydrophobicContact CB-CE2 3.92Å; A50-F303 HydrophobicContact CB-CG 3.48Å; A50-F303 VanDerWaalsContact CB-CG 3.48Å; A50-F303 HydrophobicContact CB-CZ 4.12Å
51Q95.7Very high94.1Very high3 Ų355.3 Ų55.31%0.01428%0.278CS..Hα-helixtrans-59.4-45177.2-73.1-65.1-600112.6L47 H48 R53 W54 S55L47-Q51 HydrophobicContact CD1-CG 4.44Å; L47-Q51 PolarHBondContact O-N 3.1Å; H48-Q51 PolarHBondContact O-N 3.01Å; Q51-R53 VanDerWaalsContact C-N 3.27Å; Q51-R53 PolarHBondContact O-N 2.88Å; Q51-W54 PolarHBondContact O-N 3.33Å; Q51-S55 WeakPolarHBondContact O-CB 3.22Å; Q51-S55 PolarHBondContact O-N 2.81Å; Q51-S55 PolarHBondContact O-OG 3.44Å
52K94.9Very high93.9Very high145 Ų14558 Ų5863%0.6329%0.288SS*.Hα-helixtrans-60.1-39.5175.5-174.9178.6179.7179.90111.5H48 N49 A50 A56H48-K52 WeakPolarHBondContact O-CB 3.35Å; H48-K52 PolarHBondContact O-N 3.48Å; N49-K52 PolarHBondContact O-N 3.37Å; A50-K52 PolarHBondContact O-N 2.87Å; K52-A56 VanDerWaalsContact O-CB 3.23Å; K52-A56 WeakPolarHBondContact O-CB 3.27Å; K52-A56 PolarHBondContact O-N 2.87Å; K52-A56 VanDerWaalsContact O-N 3.1Å
53R94.7Very high93.8Very high93 Ų9357.4 Ų57.435%0.35129%0.285SS..Hα-helixtrans-69.5-50.6-180-171.356.1167.7163.9-3.3111.7N49 A50 Q51 S55 A56 D57 F303 Y318N49-R53 WeakPolarHBondContact O-CB 3.34Å; N49-R53 PolarHBondContact O-N 2.72Å; A50-R53 WeakPolarHBondContact O-CB 3.11Å; A50-R53 PolarHBondContact O-N 3.22Å; A50-R53 VanDerWaalsContact O-N 3.08Å; Q51-R53 VanDerWaalsContact C-N 3.27Å; Q51-R53 PolarHBondContact O-N 2.88Å; R53-S55 PolarHBondContact O-N 2.81Å; R53-A56 PolarHBondContact O-N 2.96Å; R53-A56 VanDerWaalsContact O-N 3.11Å; R53-D57 IonicContact CZ-OD1 2.95Å; R53-D57 IonicContact NE-OD1 3.78Å; R53-D57 IonicContact NH1-OD1 3.55Å; R53-D57 PolarHBondContact O-N 2.98Å; R53-F303 HydrophobicContact CB-CE2 3.78Å; R53-F303 HydrophobicContact CB-CZ 3.68Å; R53-F303 HydrophobicContact CG-CE2 3.93Å; R53-F303 HydrophobicContact CG-CZ 3.93Å; R53-Y318 HydrophobicContact CG-CE1 3.98Å; R53-Y318 HydrophobicContact CG-CE2 3.9Å; R53-Y318 PolarHBondContact NE-OH 2.92Å; R53-Y318 PolarHBondContact NH2-OH 2.81Å
54W95.3Very high93.8Very high4 Ų457.4 Ų57.42%0.01529%0.285CS..Hα-helixtrans-58.9-36.4176.2-67-34.2000112.7I18 A50 Q51 P61 I64 F303 G304 T305I18-W54 HydrophobicContact CB-CH2 4.15Å; I18-W54 HydrophobicContact CG2-CH2 4.15Å; A50-W54 HydrophobicContact CB-CD2 4.48Å; A50-W54 HydrophobicContact CB-CE3 4.22Å; A50-W54 HydrophobicContact CB-CH2 3.84Å; A50-W54 HydrophobicContact CB-CZ2 4.11Å; A50-W54 HydrophobicContact CB-CZ3 3.89Å; A50-W54 PolarHBondContact O-N 2.82Å; Q51-W54 PolarHBondContact O-N 3.33Å; W54-P61 HydrophobicContact CB-CG 3.86Å; W54-P61 HydrophobicContact CG-CG 3.81Å; W54-I64 HydrophobicContact CE3-CD1 3.66Å; W54-I64 HydrophobicContact CE3-CG1 4.19Å; W54-I64 HydrophobicContact CH2-CD1 4.49Å; W54-I64 HydrophobicContact CH2-CG2 3.85Å; W54-I64 HydrophobicContact CZ3-CD1 3.65Å; W54-I64 HydrophobicContact CZ3-CG1 4.14Å; W54-I64 HydrophobicContact CZ3-CG2 4.04Å; W54-F303 AromaticContact CE2-CD2 3.93Å; W54-F303 HydrophobicContact CZ2-CB 4.33Å; W54-F303 AromaticContact CZ2-CD2 3.9Å; W54-F303 HydrophobicContact CZ2-CD2 3.9Å; W54-F303 HydrophobicContact CZ2-CG 4.5Å; W54-F303 AromaticContact NE1-CD2 3.89Å; W54-G304 PolarHBondContact NE1-O 2.82Å; W54-T305 VanDerWaalsContact CD1-OG1 3.3Å; W54-T305 PolarHBondContact NE1-OG1 3.19Å
55S91.8Very high93.8Very high52 Ų5256 Ų5636%0.36428%0.278SS..Hα-helixtrans-71.4-30.9177.1-64.20000113.6Q51 R53Q51-S55 WeakPolarHBondContact O-CB 3.22Å; Q51-S55 PolarHBondContact O-N 2.81Å; Q51-S55 PolarHBondContact O-OG 3.44Å; R53-S55 PolarHBondContact O-N 2.81Å
56A89.5Confident93.8Very high73 Ų7351.1 Ų51.160%0.60326%0.259SS*.Hα-helixtrans-89-19.4-177.900000113.8K52 R53K52-A56 VanDerWaalsContact O-CB 3.23Å; K52-A56 WeakPolarHBondContact O-CB 3.27Å; K52-A56 PolarHBondContact O-N 2.87Å; K52-A56 VanDerWaalsContact O-N 3.1Å; R53-A56 PolarHBondContact O-N 2.96Å; R53-A56 VanDerWaalsContact O-N 3.11Å
57D84.1Confident93.9Very high30 Ų3051 Ų5116%0.1626%0.259CS..SBendtrans-65.4139.6179-82.2-8.5000111.4R53 V59R53-D57 IonicContact CZ-OD1 2.95Å; R53-D57 IonicContact NE-OD1 3.78Å; R53-D57 IonicContact NH1-OD1 3.55Å; R53-D57 PolarHBondContact O-N 2.98Å; D57-V59 PolarHBondContact O-N 3.25Å
58T81Confident93.9Very high150 Ų15051 Ų5192%0.9226%0.259SS*.SBendtrans-60-35.9-178.1-49.40000112.3
59V83.7Confident94Very high65 Ų6546.8 Ų46.839%0.39424%0.24SC..SBendtrans-107.9107.8172.5-1750000107.2P11 T14 D57P11-V59 HydrophobicContact CG-CG1 4.21Å; T14-V59 HydrophobicContact CG2-CB 4.31Å; T14-V59 HydrophobicContact CG2-CG1 3.49Å; T14-V59 VanDerWaalsContact CG2-CG1 3.49Å; D57-V59 PolarHBondContact O-N 3.25Å
60K90.6Very high94.1Very high139 Ų13944.4 Ų44.460%0.60423%0.227SC*.  trans-75.6144-178.7-63.4-175.6177.3-172.60111T14 R62T14-K60 VanDerWaalsContact OG1-C 3.32Å; T14-K60 PolarHBondContact OG1-O 3.46Å; K60-R62 PolarHBondContact O-N 3.39Å
61P95Very high94.1Very high9 Ų944.4 Ų44.46%0.05823%0.227CC..  trans-50.9136.2167.3-30.839.3000112.2T14 W54 F63 V97T14-P61 WeakPolarHBondContact OG1-CA 3.22Å; W54-P61 HydrophobicContact CB-CG 3.86Å; W54-P61 HydrophobicContact CG-CG 3.81Å; P61-F63 WeakPolarHBondContact CB-O 3.47Å; P61-V97 HydrophobicContact CB-CG1 4.48Å; P61-V97 WeakPolarHBondContact O-CG2 3.49Å
62R95.2Very high94.3Very high162 Ų16244.4 Ų44.461%0.61123%0.227SC*.SBendtrans-76.1-33.5170.9-176.4177.7179.885.32.6111.6T14 K60 P146T14-R62 WeakPolarHBondContact O-CB 3.41Å; T14-R62 PolarHBondContact O-N 3Å; K60-R62 PolarHBondContact O-N 3.39Å; R62-P146 PolarHBondContact NE-O 2.84Å
63F96.7Very high94.4Very high4 Ų437.9 Ų37.92%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-151.1170.1174.960.3-87.6000108.8F13 F15 G16 P61 L65 E98 H100 F144 P146 F152F13-F63 AromaticContact CD2-CE1 3.93Å; F13-F63 HydrophobicContact CD2-CE1 3.93Å; F13-F63 AromaticContact CE2-CE1 3.89Å; F13-F63 HydrophobicContact CE2-CE1 3.89Å; F13-F63 HydrophobicContact CE2-CZ 4.11Å; F15-F63 CarbonylContact C-O 3.5Å; F15-F63 WeakPolarHBondContact CA-O 3.23Å; F15-F63 HydrophobicContact CB-CD1 4.12Å; F15-F63 HydrophobicContact CB-CD2 3.73Å; F15-F63 HydrophobicContact CB-CE1 3.85Å; F15-F63 HydrophobicContact CB-CE2 3.47Å; F15-F63 VanDerWaalsContact CB-CE2 3.47Å; F15-F63 HydrophobicContact CB-CG 4.06Å; F15-F63 HydrophobicContact CB-CZ 3.54Å; F15-F63 VanDerWaalsContact CB-O 3.28Å; F15-F63 WeakPolarHBondContact CB-O 3.22Å; F15-F63 HydrophobicContact CD1-CE1 4.43Å; F15-F63 HydrophobicContact CD1-CE2 4.26Å; F15-F63 AromaticContact CD1-CZ 3.8Å; F15-F63 HydrophobicContact CD1-CZ 3.8Å; F15-F63 HydrophobicContact CD2-CE2 4.06Å; F15-F63 HydrophobicContact CD2-CZ 4.42Å; F15-F63 HydrophobicContact CG-CD2 4.41Å; F15-F63 HydrophobicContact CG-CE1 4.39Å; F15-F63 AromaticContact CG-CE2 3.7Å; F15-F63 HydrophobicContact CG-CE2 3.7Å; F15-F63 AromaticContact CG-CZ 3.69Å; F15-F63 HydrophobicContact CG-CZ 3.69Å; G16-F63 PolarHBondContact N-O 2.9Å; P61-F63 WeakPolarHBondContact CB-O 3.47Å; F63-L65 HydrophobicContact CD2-CD2 3.89Å; F63-L65 HydrophobicContact CD2-CG 4.11Å; F63-L65 HydrophobicContact CE2-CD1 4.28Å; F63-L65 HydrophobicContact CE2-CD2 3.65Å; F63-L65 HydrophobicContact CE2-CG 3.72Å; F63-E98 CarbonylContact C-O 3.5Å; F63-E98 VanDerWaalsContact CA-O 3.22Å; F63-E98 WeakPolarHBondContact CA-O 3.41Å; F63-E98 WeakPolarHBondContact CB-O 2.88Å; F63-H100 AromaticContact CD2-CD2 3.68Å; F63-F144 HydrophobicContact CD1-CE2 4.43Å; F63-F144 HydrophobicContact CD2-CE2 4.49Å; F63-F144 HydrophobicContact CD2-CZ 4.32Å; F63-F144 HydrophobicContact CE1-CE2 4.24Å; F63-F144 HydrophobicContact CE2-CE2 4.26Å; F63-F144 HydrophobicContact CE2-CZ 4.03Å; F63-F144 HydrophobicContact CZ-CE2 4.13Å; F63-F144 HydrophobicContact CZ-CZ 4.28Å; F63-P146 HydrophobicContact CD1-CB 4.04Å; F63-P146 HydrophobicContact CE1-CB 3.44Å; F63-P146 VanDerWaalsContact CE1-CB 3.44Å; F63-P146 HydrophobicContact CE1-CG 3.8Å; F63-P146 HydrophobicContact CZ-CB 4.31Å; F63-P146 HydrophobicContact CZ-CG 4.21Å; F63-F152 HydrophobicContact CE2-CD1 4.44Å; F63-F152 HydrophobicContact CE2-CE1 4.29Å; F63-F152 HydrophobicContact CZ-CD1 4.36Å; F63-F152 HydrophobicContact CZ-CD2 4.27Å; F63-F152 HydrophobicContact CZ-CE1 4.05Å; F63-F152 AromaticContact CZ-CE2 3.97Å; F63-F152 HydrophobicContact CZ-CE2 3.97Å; F63-F152 HydrophobicContact CZ-CG 4.47Å; F63-F152 AromaticContact CZ-CZ 3.85Å; F63-F152 HydrophobicContact CZ-CZ 3.85Å
64I97.9Very high94.6Very high1 Ų136.5 Ų36.51%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-119.2137.2171.9-62.5163.3000108.5G16 W54 F92 V97 E98 V99 H100G16-I64 CarbonylContact O-C 3.59Å; G16-I64 WeakPolarHBondContact O-CA 3.45Å; W54-I64 HydrophobicContact CE3-CD1 3.66Å; W54-I64 HydrophobicContact CE3-CG1 4.19Å; W54-I64 HydrophobicContact CH2-CD1 4.49Å; W54-I64 HydrophobicContact CH2-CG2 3.85Å; W54-I64 HydrophobicContact CZ3-CD1 3.65Å; W54-I64 HydrophobicContact CZ3-CG1 4.14Å; W54-I64 HydrophobicContact CZ3-CG2 4.04Å; I64-F92 HydrophobicContact CD1-CD1 4.47Å; I64-F92 HydrophobicContact CG2-CE1 4.33Å; I64-V97 HydrophobicContact CG1-CG1 4.23Å; I64-E98 PolarHBondContact N-O 2.94Å; I64-V99 HydrophobicContact CB-CG1 4.23Å; I64-V99 HydrophobicContact CB-CG2 4.27Å; I64-V99 HydrophobicContact CD1-CG2 4.32Å; I64-V99 HydrophobicContact CG2-CG1 4.24Å; I64-V99 WeakPolarHBondContact O-CA 3.36Å; I64-H100 PolarHBondContact O-N 2.99Å
65L98.6Very high94.7Very high0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-99.5118.8166.3-63.2-176.7000109F15 G16 I17 I18 F63 L67 H100 F144 F152 V233F15-L65 HydrophobicContact CD2-CD1 4Å; F15-L65 HydrophobicContact CD2-CG 4.09Å; F15-L65 HydrophobicContact CE2-CD1 3.74Å; F15-L65 HydrophobicContact CE2-CG 4.33Å; G16-L65 PolarHBondContact O-N 3.24Å; I17-L65 WeakPolarHBondContact CA-O 3.41Å; I17-L65 HydrophobicContact CG1-CB 4.06Å; I18-L65 PolarHBondContact N-O 3.33Å; F63-L65 HydrophobicContact CD2-CD2 3.89Å; F63-L65 HydrophobicContact CD2-CG 4.11Å; F63-L65 HydrophobicContact CE2-CD1 4.28Å; F63-L65 HydrophobicContact CE2-CD2 3.65Å; F63-L65 HydrophobicContact CE2-CG 3.72Å; L65-L67 HydrophobicContact CB-CD2 4.08Å; L65-H100 HydrophobicContact CD2-CB 3.74Å; L65-F144 HydrophobicContact CD2-CZ 4.45Å; L65-F152 HydrophobicContact CD1-CD1 4.01Å; L65-F152 HydrophobicContact CD1-CE1 3.88Å; L65-V233 HydrophobicContact CD1-CG2 3.99Å
66Q98.6Very high95Very high1 Ų139.5 Ų39.51%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-108.2114170.7173.7-85.9-36.500108.7I18 I21 G68 I70 F92 V99 H100 H101 V102I18-Q66 HydrophobicContact CG2-CB 4.13Å; I18-Q66 HydrophobicContact CG2-CG 4.27Å; I18-Q66 WeakPolarHBondContact O-CA 3.4Å; I21-Q66 HydrophobicContact CD1-CG 4.22Å; Q66-G68 PolarHBondContact NE2-O 2.78Å; Q66-G68 PolarHBondContact O-N 3.05Å; Q66-I70 HydrophobicContact CG-CD1 4.43Å; Q66-F92 HydrophobicContact CG-CZ 4.49Å; Q66-V99 HydrophobicContact CB-CG1 4.12Å; Q66-H100 PolarHBondContact N-O 2.97Å; Q66-H101 PolarHBondContact OE1-ND1 2.77Å; Q66-V102 PolarHBondContact O-N 3.32Å
67L98.9Very high95.3Very high0 Ų045.3 Ų45.30%021%0.211CC..  trans-85.436.2-163.7-56.2-165.8000115.4I17 I18 A19 L65 V102 V233 H235 M269 A270 L290I17-L67 HydrophobicContact CD1-CD1 4.17Å; I17-L67 HydrophobicContact CG1-CD1 4.43Å; I17-L67 HydrophobicContact CG1-CG 4.37Å; I18-L67 PolarHBondContact O-N 2.97Å; A19-L67 HydrophobicContact CB-CB 3.89Å; A19-L67 HydrophobicContact CB-CD1 4.42Å; A19-L67 HydrophobicContact CB-CG 4.36Å; L65-L67 HydrophobicContact CB-CD2 4.08Å; L67-V102 HydrophobicContact CD2-CG2 4.05Å; L67-V233 HydrophobicContact CD2-CG1 3.3Å; L67-H235 PolarHBondContact O-ND1 3.3Å; L67-M269 HydrophobicContact CD1-CB 4.44Å; L67-A270 VanDerWaalsContact CD1-C 3.44Å; L67-A270 WeakPolarHBondContact CD1-O 3.27Å; L67-L290 HydrophobicContact CD1-CB 4.46Å; L67-L290 HydrophobicContact CD1-CD1 3.65Å; L67-L290 HydrophobicContact CD1-CD2 3.8Å; L67-L290 HydrophobicContact CD1-CG 4.16Å; L67-L290 HydrophobicContact CG-CD2 4.43Å
68G98.7Very high95.8Very high0 Ų049.7 Ų49.70%023%0.23CC..SBendtrans85174.7-17900000113.5D20 Q66 V102D20-G68 PolarHBondContact N-O 2.87Å; Q66-G68 PolarHBondContact NE2-O 2.78Å; Q66-G68 PolarHBondContact O-N 3.05Å; G68-V102 WeakPolarHBondContact CA-O 3.44Å; G68-V102 PolarHBondContact N-O 3.26Å
69D98.8Very high96.6Very high1 Ų149.6 Ų49.61%0.00522%0.224CC..  trans54.255.7-178-80.214.4000112.2D20 I21 Q22 G104 N105 H106 E107 H235D20-D69 CarbonylContact C-O 3.53Å; D20-D69 HydrophobicContact CB-CB 4.44Å; D20-D69 WeakPolarHBondContact OD1-CB 3.3Å; I21-D69 PolarHBondContact N-O 2.9Å; I21-D69 VanDerWaalsContact N-O 3.09Å; Q22-D69 WeakPolarHBondContact CA-O 3.37Å; Q22-D69 HydrophobicContact CG-CB 3.76Å; Q22-D69 WeakPolarHBondContact CG-O 3.39Å; Q22-D69 PolarHBondContact N-O 3.08Å; Q22-D69 PolarHBondContact NE2-OD2 3.42Å; D69-G104 VanDerWaalsContact OD1-C 3.3Å; D69-G104 WeakPolarHBondContact OD1-CA 3.16Å; D69-N105 PolarHBondContact OD1-N 2.78Å; D69-N105 VanDerWaalsContact OD1-N 3.12Å; D69-N105 PolarHBondContact OD2-OD1 2.74Å; D69-H106 HydrophobicContact CB-CB 4.17Å; D69-H106 VanDerWaalsContact OD1-CB 3.32Å; D69-H106 WeakPolarHBondContact OD1-CB 3.04Å; D69-H106 IonicContact OD1-CD2 2.77Å; D69-H106 IonicContact OD1-CG 3.61Å; D69-H106 PolarHBondContact OD1-N 2.82Å; D69-H106 IonicContact OD2-CD2 3.7Å; D69-H106 PolarHBondContact OD2-CD2 3.38Å; D69-H106 IonicContact OD2-CG 3.13Å; D69-H106 IonicContact OD2-NE2 3.55Å; D69-E107 WeakPolarHBondContact CA-OE1 3.39Å; D69-E107 PolarHBondContact N-OE1 2.65Å; D69-E107 PolarHBondContact N-OE2 2.67Å; D69-H235 IonicContact OD1-CE1 2.81Å; D69-H235 IonicContact OD1-NE2 3.14Å; D69-H235 IonicContact OD2-CE1 3.89Å; D69-H235 IonicContact OD2-NE2 2.65Å
70I98.8Very high97.3Very high0 Ų047.6 Ų47.60%021%0.214CC..  trans-73.5-37.4-176.1-162167.9000112.3I21 Q22 Y23 Q66 L85 V88 M89 F92 E107 L121I21-I70 HydrophobicContact CD1-CG1 4.2Å; Q22-I70 PolarHBondContact N-O 3.08Å; Y23-I70 PolarHBondContact N-O 2.83Å; Q66-I70 HydrophobicContact CG-CD1 4.43Å; I70-L85 HydrophobicContact CG2-CD1 4.05Å; I70-V88 HydrophobicContact CD1-CG1 3.81Å; I70-V88 HydrophobicContact CG1-CB 4.39Å; I70-V88 HydrophobicContact CG1-CG1 3.61Å; I70-M89 HydrophobicContact CD1-SD 4.09Å; I70-F92 HydrophobicContact CD1-CE2 3.98Å; I70-E107 VanDerWaalsContact CG2-OE1 3.32Å; I70-E107 WeakPolarHBondContact CG2-OE1 3.4Å; I70-E107 PolarHBondContact N-OE1 3Å; I70-L121 HydrophobicContact CD1-CD2 3.96Å; I70-L121 HydrophobicContact CG2-CD1 4.04Å; I70-L121 HydrophobicContact CG2-CD2 4.23Å
71I98.9Very high97.7Very high0 Ų041.4 Ų41.40%019%0.188CC..BIsolated β-bridgetrans-128.4149.1176.458.7162.3000110.5Y23 S81 A84 L85 V88 H106 N110 F111Y23-I71 WeakPolarHBondContact O-CA 3.37Å; I71-S81 WeakPolarHBondContact CD1-O 3.35Å; I71-A84 HydrophobicContact CB-CB 4.37Å; I71-A84 HydrophobicContact CD1-CB 4.34Å; I71-A84 HydrophobicContact CG2-CB 4Å; I71-L85 HydrophobicContact CD1-CB 4.3Å; I71-V88 HydrophobicContact CG2-CG2 3.88Å; I71-H106 VanDerWaalsContact O-CB 3.3Å; I71-H106 WeakPolarHBondContact O-CB 3.2Å; I71-N110 HydrophobicContact CD1-CB 4.13Å; I71-F111 HydrophobicContact CD1-CE2 3.65Å; I71-F111 HydrophobicContact CD1-CZ 3.84Å; I71-F111 HydrophobicContact CG1-CE2 4.42Å
72D98.8Very high97.8Very high3 Ų346 Ų462%0.01621%0.209CC..  trans-74.3151.2-177.6-165.2-89.2000112.5Q22 Y23 A24 R38 Y40 F74 N75 H106 N110Q22-D72 HydrophobicContact CB-CB 4.09Å; Y23-D72 PolarHBondContact O-N 2.91Å; A24-D72 HydrophobicContact CB-CB 4.01Å; R38-D72 IonicContact NH1-OD2 3.22Å; Y40-D72 HydrophobicContact CD1-CB 4.04Å; Y40-D72 HydrophobicContact CE1-CB 4.02Å; Y40-D72 WeakPolarHBondContact CE1-OD2 3.19Å; D72-F74 PolarHBondContact O-N 3.09Å; D72-F74 VanDerWaalsContact OD1-CB 3.27Å; D72-F74 WeakPolarHBondContact OD1-CB 3.44Å; D72-F74 WeakPolarHBondContact OD1-CD2 3.27Å; D72-F74 WeakPolarHBondContact OD1-CG 3.35Å; D72-F74 PolarHBondContact OD1-N 2.87Å; D72-N75 PolarHBondContact N-ND2 3.19Å; D72-N75 WeakPolarHBondContact O-CB 3.28Å; D72-N75 PolarHBondContact O-N 3.36Å; D72-N75 PolarHBondContact O-ND2 3.23Å; D72-H106 WeakPolarHBondContact CA-ND1 3.31Å; D72-H106 IonicContact OD2-CE1 3.3Å; D72-H106 PolarHBondContact OD2-CE1 3.08Å; D72-H106 IonicContact OD2-ND1 3.83Å; D72-H106 PolarHBondContact OD2-ND1 2.83Å; D72-N110 PolarHBondContact O-ND2 3.17Å; D72-N110 PolarHBondContact O-OD1 3.21Å
73G97.9Very high98Very high8 Ų847 Ų478%0.08221%0.212CC..THydrogen-bonded Turntrans-65.7-18.4175.600000113.7N75 K76 H106G73-N75 PolarHBondContact O-N 2.85Å; G73-K76 WeakPolarHBondContact O-CB 3.27Å; G73-K76 PolarHBondContact O-N 3.41Å; G73-H106 PolarHBondContact N-ND1 2.69Å
74F97.9Very high98.1Very high65 Ų6547 Ų4729%0.28521%0.213SC..Hα-helixtrans-62.5-27.1172-70.6-18.7000113I26 Y40 D72 K76 R77 H78I26-F74 HydrophobicContact CD1-CB 4.03Å; I26-F74 HydrophobicContact CD1-CD2 3.44Å; I26-F74 VanDerWaalsContact CD1-CD2 3.44Å; I26-F74 HydrophobicContact CD1-CE2 4.31Å; I26-F74 HydrophobicContact CD1-CG 4.21Å; Y40-F74 HydrophobicContact CE1-CD2 4.26Å; Y40-F74 HydrophobicContact CE2-CE2 4.49Å; Y40-F74 AromaticContact CZ-CD2 3.92Å; Y40-F74 AromaticContact CZ-CE2 3.88Å; Y40-F74 WeakPolarHBondContact OH-CE2 3.47Å; D72-F74 PolarHBondContact O-N 3.09Å; D72-F74 VanDerWaalsContact OD1-CB 3.27Å; D72-F74 WeakPolarHBondContact OD1-CB 3.44Å; D72-F74 WeakPolarHBondContact OD1-CD2 3.27Å; D72-F74 WeakPolarHBondContact OD1-CG 3.35Å; D72-F74 PolarHBondContact OD1-N 2.87Å; F74-K76 PolarHBondContact O-N 3Å; F74-R77 WeakPolarHBondContact O-CB 3.4Å; F74-R77 PolarHBondContact O-N 3.42Å; F74-H78 PolarHBondContact O-CD2 3.41Å; F74-H78 PolarHBondContact O-N 3.12Å
75N98.6Very high98.1Very high5 Ų547.2 Ų47.23%0.02722%0.215CC..Hα-helixtrans-57.7-36.7174.9-66.2-63.1000111.7Y23 A24 D72 G73 R77 H78 D79 A80 A84Y23-N75 PolarHBondContact O-ND2 3.48Å; A24-N75 WeakPolarHBondContact CB-OD1 3.34Å; D72-N75 PolarHBondContact N-ND2 3.19Å; D72-N75 WeakPolarHBondContact O-CB 3.28Å; D72-N75 PolarHBondContact O-N 3.36Å; D72-N75 PolarHBondContact O-ND2 3.23Å; G73-N75 PolarHBondContact O-N 2.85Å; N75-R77 VanDerWaalsContact C-N 3.3Å; N75-R77 PolarHBondContact O-N 3.06Å; N75-H78 CarbonylContact O-C 3.56Å; N75-H78 PolarHBondContact O-N 2.81Å; N75-H78 VanDerWaalsContact O-N 3.14Å; N75-D79 PolarHBondContact O-N 3.43Å; N75-D79 VanDerWaalsContact O-N 3.11Å; N75-A80 HydrophobicContact CB-CB 4.4Å; N75-A80 PolarHBondContact O-N 2.99Å; N75-A84 HydrophobicContact CB-CB 4.17Å; N75-A84 VanDerWaalsContact CG-CB 3.45Å; N75-A84 WeakPolarHBondContact OD1-CB 3.45Å
76K97.7Very high98.1Very high114 Ų11452.6 Ų52.650%0.49624%0.24SC..Hα-helixtrans-60.8-39.7175.6-172.958.5169.7-171.30112.8G73 F74 H78 D79 S81 Y109 N110G73-K76 WeakPolarHBondContact O-CB 3.27Å; G73-K76 PolarHBondContact O-N 3.41Å; F74-K76 PolarHBondContact O-N 3Å; K76-H78 PolarHBondContact O-N 3.1Å; K76-D79 PolarHBondContact O-N 2.86Å; K76-S81 WeakPolarHBondContact CA-OG 3.26Å; K76-S81 PolarHBondContact N-OG 3.25Å; K76-Y109 WeakPolarHBondContact CB-O 3.34Å; K76-Y109 WeakPolarHBondContact CG-O 3.4Å; K76-N110 PolarHBondContact N-OD1 2.93Å; K76-N110 PolarHBondContact NZ-O 2.77Å
77R95Very high98.1Very high195 Ų19554.3 Ų54.374%0.73625%0.25SS*.Hα-helixtrans-68.1-22.6179.6-56.6-177.3-175.8-174.8-0.1112.4F74 N75F74-R77 WeakPolarHBondContact O-CB 3.4Å; F74-R77 PolarHBondContact O-N 3.42Å; N75-R77 VanDerWaalsContact C-N 3.3Å; N75-R77 PolarHBondContact O-N 3.06Å
78H94.9Very high98.1Very high121 Ų12154.3 Ų54.356%0.5625%0.25SS*.THydrogen-bonded Turntrans-104.49.5178.8-64.9-65.7000113.5F74 N75 K76 A80F74-H78 PolarHBondContact O-CD2 3.41Å; F74-H78 PolarHBondContact O-N 3.12Å; N75-H78 CarbonylContact O-C 3.56Å; N75-H78 PolarHBondContact O-N 2.81Å; N75-H78 VanDerWaalsContact O-N 3.14Å; K76-H78 PolarHBondContact O-N 3.1Å; H78-A80 HydrophobicContact CB-CB 4.28Å; H78-A80 PolarHBondContact O-N 3.18Å
79D97.4Very high98Very high148 Ų14855.6 Ų55.679%0.79126%0.257SS*.THydrogen-bonded Turntrans51.339.3-175.3-160.436.1000113N75 K76N75-D79 PolarHBondContact O-N 3.43Å; N75-D79 VanDerWaalsContact O-N 3.11Å; K76-D79 PolarHBondContact O-N 2.86Å
80A98.2Very high97.9Very high23 Ų2361.8 Ų61.819%0.1928%0.283CS..  trans-119.24.7-171.600000113.6N75 H78 E82 R83 A84N75-A80 HydrophobicContact CB-CB 4.4Å; N75-A80 PolarHBondContact O-N 2.99Å; H78-A80 HydrophobicContact CB-CB 4.28Å; H78-A80 PolarHBondContact O-N 3.18Å; A80-E82 PolarHBondContact O-N 3.37Å; A80-R83 PolarHBondContact O-N 2.91Å; A80-A84 WeakPolarHBondContact O-CB 3.31Å; A80-A84 PolarHBondContact O-N 3.45Å
81S98.6Very high97.7Very high9 Ų964 Ų646%0.06329%0.294CS..Hα-helixtrans-54-51-173.3-55.30000113.2I71 K76 A84 L85 N110I71-S81 WeakPolarHBondContact CD1-O 3.35Å; K76-S81 WeakPolarHBondContact CA-OG 3.26Å; K76-S81 PolarHBondContact N-OG 3.25Å; S81-A84 PolarHBondContact O-N 2.97Å; S81-L85 WeakPolarHBondContact O-CB 3.31Å; S81-L85 PolarHBondContact O-N 3.5Å; S81-N110 WeakPolarHBondContact CB-OD1 3.36Å; S81-N110 PolarHBondContact OG-OD1 3.33Å
82E98.4Very high97.4Very high106 Ų10664.3 Ų64.350%0.49530%0.295SS..Hα-helixtrans-62.5-46.2179.6-64.5-66.9172.900111.7A80 A84 L85 E86 F111A80-E82 PolarHBondContact O-N 3.37Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 3.22Å; E82-L85 PolarHBondContact O-N 3.35Å; E82-E86 WeakPolarHBondContact O-CG 3.46Å; E82-E86 PolarHBondContact O-N 2.73Å; E82-F111 HydrophobicContact CG-CE1 4.48Å
83R98.5Very high96.9Very high182 Ų18270 Ų7069%0.68733%0.326SS*.Hα-helixtrans-63.9-39.6179.5-171.2-172.7-53.9-179.86.9112.1A80 T87A80-R83 PolarHBondContact O-N 2.91Å; R83-T87 WeakPolarHBondContact O-CB 3.39Å; R83-T87 PolarHBondContact O-N 3.09Å; R83-T87 PolarHBondContact O-OG1 2.95Å
84A98.7Very high96Very high4 Ų473.1 Ų73.13%0.03335%0.346CS..Hα-helixtrans-64.6-44.6176.500000110.5Y23 I71 N75 A80 S81 E82 T87 V88Y23-A84 HydrophobicContact CD1-CB 4.06Å; Y23-A84 HydrophobicContact CE1-CB 4.26Å; I71-A84 HydrophobicContact CB-CB 4.37Å; I71-A84 HydrophobicContact CD1-CB 4.34Å; I71-A84 HydrophobicContact CG2-CB 4Å; N75-A84 HydrophobicContact CB-CB 4.17Å; N75-A84 VanDerWaalsContact CG-CB 3.45Å; N75-A84 WeakPolarHBondContact OD1-CB 3.45Å; A80-A84 WeakPolarHBondContact O-CB 3.31Å; A80-A84 PolarHBondContact O-N 3.45Å; S81-A84 PolarHBondContact O-N 2.97Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 3.22Å; A84-T87 WeakPolarHBondContact O-CB 3.47Å; A84-T87 PolarHBondContact O-N 3.24Å; A84-V88 PolarHBondContact O-N 2.89Å; A84-V88 VanDerWaalsContact O-N 3.09Å
85L98.7Very high95.1Very high7 Ų770.9 Ų70.94%0.03734%0.339CS..Hα-helixtrans-61.1-51.2176-178.458.6000111.1I70 I71 S81 E82 T87 V88 M89 F111 V120 L121I70-L85 HydrophobicContact CG2-CD1 4.05Å; I71-L85 HydrophobicContact CD1-CB 4.3Å; S81-L85 WeakPolarHBondContact O-CB 3.31Å; S81-L85 PolarHBondContact O-N 3.5Å; E82-L85 PolarHBondContact O-N 3.35Å; L85-T87 PolarHBondContact O-N 2.72Å; L85-V88 PolarHBondContact O-N 2.86Å; L85-V88 VanDerWaalsContact O-N 3.08Å; L85-M89 HydrophobicContact CD1-CG 3.87Å; L85-M89 HydrophobicContact CD1-SD 4.21Å; L85-M89 HydrophobicContact CG-CG 4.15Å; L85-M89 VanDerWaalsContact O-CG 3.27Å; L85-M89 WeakPolarHBondContact O-CG 3.3Å; L85-M89 PolarHBondContact O-N 3.36Å; L85-F111 HydrophobicContact CB-CZ 4.29Å; L85-F111 HydrophobicContact CD2-CE2 4.14Å; L85-F111 HydrophobicContact CD2-CZ 3.98Å; L85-V120 HydrophobicContact CD2-CG2 4.26Å; L85-V120 HydrophobicContact CG-CG2 4.46Å; L85-L121 HydrophobicContact CD1-CD1 3.88Å; L85-L121 HydrophobicContact CD1-CD2 3.92Å; L85-L121 HydrophobicContact CD1-CG 3.98Å; L85-L121 HydrophobicContact CD2-CD1 4.16Å; L85-L121 HydrophobicContact CD2-CG 4.29Å
86E98.3Very high94Very high112 Ų11277.3 Ų77.352%0.52338%0.381SS..Hα-helixtrans-53.7-37.4175.1-74.8177.3-172.900112.7E82 K90E82-E86 WeakPolarHBondContact O-CG 3.46Å; E82-E86 PolarHBondContact O-N 2.73Å; E86-K90 VanDerWaalsContact O-CG 3.26Å; E86-K90 WeakPolarHBondContact O-CG 3.38Å; E86-K90 PolarHBondContact O-N 3.49Å; E86-K90 VanDerWaalsContact O-N 3.1Å
87T98.3Very high93.5Very high37 Ų3773.3 Ų73.323%0.22737%0.366CS..Hα-helixtrans-66-45.7178.5-59.40000111.3Y23 L44 R83 A84 L85Y23-T87 HydrophobicContact CD1-CG2 4.45Å; Y23-T87 HydrophobicContact CE1-CG2 3.69Å; L44-T87 HydrophobicContact CD1-CG2 4.13Å; L44-T87 HydrophobicContact CD2-CG2 3.57Å; R83-T87 WeakPolarHBondContact O-CB 3.39Å; R83-T87 PolarHBondContact O-N 3.09Å; R83-T87 PolarHBondContact O-OG1 2.95Å; A84-T87 WeakPolarHBondContact O-CB 3.47Å; A84-T87 PolarHBondContact O-N 3.24Å; L85-T87 PolarHBondContact O-N 2.72Å
88V98.3Very high93.4Very high0 Ų067.7 Ų67.70%035%0.348CS..Hα-helixtrans-68.6-41178.1-179.40000111.3Y23 L44 L47 I70 I71 A84 L85 K90 E91 F92Y23-V88 VanDerWaalsContact CB-CG2 3.45Å; Y23-V88 HydrophobicContact CD1-CG2 3.74Å; Y23-V88 HydrophobicContact CG-CG2 3.8Å; L44-V88 HydrophobicContact CD1-CG2 4.24Å; L47-V88 HydrophobicContact CD2-CG1 3.61Å; I70-V88 HydrophobicContact CD1-CG1 3.81Å; I70-V88 HydrophobicContact CG1-CB 4.39Å; I70-V88 HydrophobicContact CG1-CG1 3.61Å; I71-V88 HydrophobicContact CG2-CG2 3.88Å; A84-V88 PolarHBondContact O-N 2.89Å; A84-V88 VanDerWaalsContact O-N 3.09Å; L85-V88 PolarHBondContact O-N 2.86Å; L85-V88 VanDerWaalsContact O-N 3.08Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 3.09Å; V88-E91 WeakPolarHBondContact O-CB 3.33Å; V88-E91 PolarHBondContact O-N 3.09Å; V88-E91 VanDerWaalsContact O-N 3.1Å; V88-F92 HydrophobicContact CG1-CD2 4.12Å; V88-F92 HydrophobicContact CG1-CE2 3.83Å; V88-F92 PolarHBondContact O-N 3.31Å
89M97.3Very high93.4Very high27 Ų2762.9 Ų62.913%0.13333%0.327CS..Hα-helixtrans-65.4-34.2-179.1-65-52.9-60.300112.7I70 L85 E91 F92 D93 V120 L121I70-M89 HydrophobicContact CD1-SD 4.09Å; L85-M89 HydrophobicContact CD1-CG 3.87Å; L85-M89 HydrophobicContact CD1-SD 4.21Å; L85-M89 HydrophobicContact CG-CG 4.15Å; L85-M89 VanDerWaalsContact O-CG 3.27Å; L85-M89 WeakPolarHBondContact O-CG 3.3Å; L85-M89 PolarHBondContact O-N 3.36Å; M89-E91 PolarHBondContact O-N 3.36Å; M89-F92 CarbonylContact O-C 3.49Å; M89-F92 WeakPolarHBondContact O-CA 3.19Å; M89-F92 WeakPolarHBondContact O-CB 3.26Å; M89-F92 PolarHBondContact O-N 2.79Å; M89-F92 HydrophobicContact SD-CD2 4.27Å; M89-D93 PolarHBondContact O-N 2.93Å; M89-V120 HydrophobicContact CE-CB 4.29Å; M89-V120 HydrophobicContact CE-CG2 4.04Å; M89-V120 HydrophobicContact CG-CG2 3.81Å; M89-V120 HydrophobicContact SD-CG2 4.17Å; M89-L121 HydrophobicContact SD-CD2 4.26Å
90K96.3Very high93.5Very high131 Ų13156 Ų5657%0.5729%0.29SS*.Hα-helixtrans-59.4-30.7172.4-78168.1-174166.10113.6E86 V88E86-K90 VanDerWaalsContact O-CG 3.26Å; E86-K90 WeakPolarHBondContact O-CG 3.38Å; E86-K90 PolarHBondContact O-N 3.49Å; E86-K90 VanDerWaalsContact O-N 3.1Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 3.09Å
91E95.1Very high93.5Very high47 Ų4755.1 Ų55.122%0.2228%0.282CS..Hα-helixtrans-71.8-36.4173-67.9-63146.800111.1L44 L47 H48 V88 M89 S94L44-E91 HydrophobicContact CD1-CG 3.58Å; L44-E91 HydrophobicContact CG-CG 4.08Å; L47-E91 HydrophobicContact CD2-CB 3.71Å; L47-E91 HydrophobicContact CD2-CG 4.38Å; L47-E91 HydrophobicContact CG-CB 4.08Å; H48-E91 IonicContact CG-OE2 3.74Å; H48-E91 IonicContact ND1-OE2 3.68Å; H48-E91 PolarHBondContact ND1-OE2 3.42Å; V88-E91 WeakPolarHBondContact O-CB 3.33Å; V88-E91 PolarHBondContact O-N 3.09Å; V88-E91 VanDerWaalsContact O-N 3.1Å; M89-E91 PolarHBondContact O-N 3.36Å; E91-S94 WeakPolarHBondContact O-CB 3.49Å; E91-S94 PolarHBondContact O-N 3.3Å; E91-S94 PolarHBondContact O-OG 2.79Å
92F93.3Very high93.5Very high7 Ų754.7 Ų54.73%0.03128%0.279CS..Hα-helixtrans-68.1-35.5173.8-75.9-70.9000112.8I21 L47 I64 Q66 I70 V88 M89 S94 S95 V99I21-F92 HydrophobicContact CD1-CE2 4.19Å; I21-F92 HydrophobicContact CD1-CZ 4.07Å; L47-F92 HydrophobicContact CD1-CE1 3.79Å; L47-F92 HydrophobicContact CD1-CE2 4Å; L47-F92 HydrophobicContact CD1-CZ 3.5Å; L47-F92 VanDerWaalsContact CD1-CZ 3.5Å; L47-F92 HydrophobicContact CD2-CD2 4.08Å; L47-F92 HydrophobicContact CD2-CE2 3.68Å; L47-F92 HydrophobicContact CD2-CZ 4.08Å; L47-F92 HydrophobicContact CG-CZ 4.45Å; I64-F92 HydrophobicContact CD1-CD1 4.47Å; I64-F92 HydrophobicContact CG2-CE1 4.33Å; Q66-F92 HydrophobicContact CG-CZ 4.49Å; I70-F92 HydrophobicContact CD1-CE2 3.98Å; V88-F92 HydrophobicContact CG1-CD2 4.12Å; V88-F92 HydrophobicContact CG1-CE2 3.83Å; V88-F92 PolarHBondContact O-N 3.31Å; M89-F92 CarbonylContact O-C 3.49Å; M89-F92 WeakPolarHBondContact O-CA 3.19Å; M89-F92 WeakPolarHBondContact O-CB 3.26Å; M89-F92 PolarHBondContact O-N 2.79Å; M89-F92 HydrophobicContact SD-CD2 4.27Å; F92-S94 PolarHBondContact O-N 3.27Å; F92-S95 PolarHBondContact O-N 2.92Å; F92-S95 VanDerWaalsContact O-N 3.09Å; F92-V99 HydrophobicContact CB-CG2 4.38Å; F92-V99 HydrophobicContact CD1-CG1 4.27Å; F92-V99 HydrophobicContact CD1-CG2 3.64Å; F92-V99 HydrophobicContact CE1-CG1 4.11Å; F92-V99 HydrophobicContact CE1-CG2 4.22Å; F92-V99 HydrophobicContact CG-CG2 4.21Å
93D88.2Confident93.5Very high122 Ų12249.8 Ų49.865%0.65226%0.256SS*.THydrogen-bonded Turntrans-60.1-16.3176.7-69-21.1000113.6M89 S95M89-D93 PolarHBondContact O-N 2.93Å; D93-S95 PolarHBondContact O-N 3.18Å
94S79.5Confident93.5Very high73 Ų7341.1 Ų41.151%0.5122%0.223SC..THydrogen-bonded Turntrans-68-11.1175.872.60000113.9E91 F92E91-S94 WeakPolarHBondContact O-CB 3.49Å; E91-S94 PolarHBondContact O-N 3.3Å; E91-S94 PolarHBondContact O-OG 2.79Å; F92-S94 PolarHBondContact O-N 3.27Å
95S77.1Confident93.5Very high19 Ų1941.3 Ų41.313%0.13322%0.223CC..SBendtrans-129132.8176.6-177.70000110.5F92 D93 V97F92-S95 PolarHBondContact O-N 2.92Å; F92-S95 VanDerWaalsContact O-N 3.09Å; D93-S95 PolarHBondContact O-N 3.18Å; S95-V97 PolarHBondContact O-N 2.93Å; S95-V97 VanDerWaalsContact OG-CG2 3.3Å; S95-V97 WeakPolarHBondContact OG-CG2 3.25Å
96P75.3Confident93.5Very high140 Ų14041.6 Ų41.691%0.90923%0.225SC*.  trans-76.618.317935.2-38000113
97V88.4Confident93.5Very high29 Ų2936.3 Ų36.318%0.17620%0.2CC..SBendtrans-92.3131.5-172.9175.60000108.9P61 I64 S95P61-V97 HydrophobicContact CB-CG1 4.48Å; P61-V97 WeakPolarHBondContact O-CG2 3.49Å; I64-V97 HydrophobicContact CG1-CG1 4.23Å; S95-V97 PolarHBondContact O-N 2.93Å; S95-V97 VanDerWaalsContact OG-CG2 3.3Å; S95-V97 WeakPolarHBondContact OG-CG2 3.25Å
98E92.7Very high93.5Very high77 Ų7735.3 Ų35.336%0.3619%0.193SC..EExtended strand (participates in β ladder)trans-57.4136.5177.8-172.9178.4174.300111.2F63 I64 H100F63-E98 CarbonylContact C-O 3.5Å; F63-E98 VanDerWaalsContact CA-O 3.22Å; F63-E98 WeakPolarHBondContact CA-O 3.41Å; F63-E98 WeakPolarHBondContact CB-O 2.88Å; I64-E98 PolarHBondContact N-O 2.94Å; E98-H100 IonicContact OE1-CE1 2.9Å; E98-H100 PolarHBondContact OE1-CE1 2.89Å; E98-H100 IonicContact OE1-ND1 3.61Å; E98-H100 IonicContact OE1-NE2 3.68Å
99V95.9Very high93.5Very high20 Ų2038.8 Ų38.812%0.12121%0.206CC..EExtended strand (participates in β ladder)trans-114.3119.4176.9-169.20000108.7I64 Q66 F92 H101 S123I64-V99 HydrophobicContact CB-CG1 4.23Å; I64-V99 HydrophobicContact CB-CG2 4.27Å; I64-V99 HydrophobicContact CD1-CG2 4.32Å; I64-V99 HydrophobicContact CG2-CG1 4.24Å; I64-V99 WeakPolarHBondContact O-CA 3.36Å; Q66-V99 HydrophobicContact CB-CG1 4.12Å; F92-V99 HydrophobicContact CB-CG2 4.38Å; F92-V99 HydrophobicContact CD1-CG1 4.27Å; F92-V99 HydrophobicContact CD1-CG2 3.64Å; F92-V99 HydrophobicContact CE1-CG1 4.11Å; F92-V99 HydrophobicContact CE1-CG2 4.22Å; F92-V99 HydrophobicContact CG-CG2 4.21Å; V99-H101 WeakPolarHBondContact CG1-CE1 3.34Å; V99-S123 PolarHBondContact O-OG 3.02Å; V99-S123 VanDerWaalsContact O-OG 3.08Å
100H97.7Very high93.6Very high3 Ų337.6 Ų37.61%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-88.9112170.3-65.1-70.8000108.8F63 I64 L65 Q66 E98 Y142 F144F63-H100 AromaticContact CD2-CD2 3.68Å; I64-H100 PolarHBondContact O-N 2.99Å; L65-H100 HydrophobicContact CD2-CB 3.74Å; Q66-H100 PolarHBondContact N-O 2.97Å; E98-H100 IonicContact OE1-CE1 2.9Å; E98-H100 PolarHBondContact OE1-CE1 2.89Å; E98-H100 IonicContact OE1-ND1 3.61Å; E98-H100 IonicContact OE1-NE2 3.68Å; H100-Y142 WeakPolarHBondContact CB-OH 3.38Å; H100-Y142 AromaticContact ND1-CE2 3.73Å; H100-Y142 AromaticContact ND1-CZ 3.92Å; H100-Y142 PolarHBondContact ND1-OH 2.91Å; H100-F144 AromaticContact CD2-CE1 3.76Å; H100-F144 AromaticContact CD2-CE2 3.91Å; H100-F144 AromaticContact CD2-CZ 3.34Å; H100-F144 WeakPolarHBondContact CD2-CZ 3.08Å; H100-F144 AromaticContact CE1-CD1 3.89Å; H100-F144 AromaticContact CE1-CE1 3.71Å; H100-F144 AromaticContact CE1-CZ 3.8Å; H100-F144 AromaticContact CG-CE1 3.81Å; H100-F144 AromaticContact CG-CZ 3.87Å; H100-F144 AromaticContact ND1-CE1 3.77Å; H100-F144 AromaticContact NE2-CD2 3.91Å; H100-F144 AromaticContact NE2-CE1 3.68Å; H100-F144 AromaticContact NE2-CE2 3.4Å; H100-F144 WeakPolarHBondContact NE2-CE2 3.23Å; H100-F144 AromaticContact NE2-CZ 3.27Å; H100-F144 VanDerWaalsContact NE2-CZ 3.27Å; H100-F144 WeakPolarHBondContact NE2-CZ 3.38Å
101H98.2Very high93.7Very high5 Ų532.1 Ų32.12%0.02318%0.177CC..EExtended strand (participates in β ladder)trans-91123.4179.1-63.1-69.1000109.8Q66 V99 L121 S123 Y140Q66-H101 PolarHBondContact OE1-ND1 2.77Å; V99-H101 WeakPolarHBondContact CG1-CE1 3.34Å; H101-L121 HydrophobicContact CB-CB 4.41Å; H101-L121 HydrophobicContact CB-CD2 4.17Å; H101-S123 PolarHBondContact N-OG 2.75Å; H101-Y140 WeakPolarHBondContact O-CE1 3.37Å; H101-Y140 PolarHBondContact O-OH 2.92Å
102V98.6Very high93.8Very high1 Ų132.1 Ų32.11%0.00618%0.182CC..PPolyproline II helixtrans-87.7150.3165-173.10000108Q66 L67 G68 V154 V233 H235Q66-V102 PolarHBondContact O-N 3.32Å; L67-V102 HydrophobicContact CD2-CG2 4.05Å; G68-V102 WeakPolarHBondContact CA-O 3.44Å; G68-V102 PolarHBondContact N-O 3.26Å; V102-V154 HydrophobicContact CG2-CG1 4.07Å; V102-V233 HydrophobicContact CG2-CG1 3.65Å; V102-H235 HydrophobicContact CG1-CB 4Å
103W98.8Very high93.9Very high3 Ų332.7 Ų32.71%0.01118%0.184CC..PPolyproline II helixtrans-102.9119.6175.4-60.2-9.2000110.5E107 F108 R113 L116 M117 L121 N122 Y140W103-E107 HydrophobicContact CB-CB 4.42Å; W103-F108 HydrophobicContact CB-CE2 4.05Å; W103-F108 HydrophobicContact CB-CZ 4.06Å; W103-F108 HydrophobicContact CE3-CE1 4.14Å; W103-F108 AromaticContact CE3-CZ 3.84Å; W103-F108 HydrophobicContact CE3-CZ 3.84Å; W103-R113 HydrophobicContact CZ3-CG 4.25Å; W103-L116 HydrophobicContact CD2-CB 4.26Å; W103-L116 HydrophobicContact CD2-CD1 4.1Å; W103-L116 HydrophobicContact CE3-CB 4.16Å; W103-L116 HydrophobicContact CE3-CD1 3.95Å; W103-L116 HydrophobicContact CH2-CB 3.48Å; W103-L116 VanDerWaalsContact CH2-CB 3.48Å; W103-L116 HydrophobicContact CZ2-CB 3.61Å; W103-L116 HydrophobicContact CZ3-CB 3.77Å; W103-L116 HydrophobicContact CZ3-CD1 4.28Å; W103-M117 HydrophobicContact CH2-CE 3.89Å; W103-M117 HydrophobicContact CH2-CG 3.87Å; W103-M117 HydrophobicContact CH2-SD 3.63Å; W103-M117 HydrophobicContact CZ3-CE 3.93Å; W103-M117 HydrophobicContact CZ3-CG 4.43Å; W103-M117 HydrophobicContact CZ3-SD 4.28Å; W103-L121 PolarHBondContact NE1-O 3.07Å; W103-N122 HydrophobicContact CZ2-CB 4.26Å; W103-Y140 HydrophobicContact CB-CD1 4.32Å; W103-Y140 AromaticContact CD1-CD1 3.98Å; W103-Y140 AromaticContact CD1-CE1 3.61Å; W103-Y140 AromaticContact CD2-CD1 3.37Å; W103-Y140 HydrophobicContact CD2-CD1 3.37Å; W103-Y140 HydrophobicContact CD2-CD2 4.23Å; W103-Y140 AromaticContact CD2-CE1 3.75Å; W103-Y140 HydrophobicContact CD2-CE1 3.75Å; W103-Y140 AromaticContact CD2-CG 3.64Å; W103-Y140 HydrophobicContact CD2-CG 3.64Å; W103-Y140 AromaticContact CE2-CD1 3.57Å; W103-Y140 AromaticContact CE2-CD2 3.79Å; W103-Y140 AromaticContact CE2-CE1 3.56Å; W103-Y140 AromaticContact CE2-CE2 3.78Å; W103-Y140 AromaticContact CE2-CG 3.69Å; W103-Y140 AromaticContact CE2-CZ 3.67Å; W103-Y140 AromaticContact CE3-CD1 3.72Å; W103-Y140 HydrophobicContact CE3-CD1 3.72Å; W103-Y140 HydrophobicContact CE3-CD2 4.28Å; W103-Y140 AromaticContact CE3-CG 3.58Å; W103-Y140 HydrophobicContact CE3-CG 3.58Å; W103-Y140 AromaticContact CG-CD1 3.66Å; W103-Y140 HydrophobicContact CG-CD1 3.66Å; W103-Y140 AromaticContact CG-CE1 3.77Å; W103-Y140 HydrophobicContact CG-CE1 3.77Å; W103-Y140 HydrophobicContact CG-CG 4.4Å; W103-Y140 HydrophobicContact CH2-CD1 4.4Å; W103-Y140 AromaticContact CH2-CD2 3.53Å; W103-Y140 HydrophobicContact CH2-CD2 3.53Å; W103-Y140 HydrophobicContact CH2-CE2 4.13Å; W103-Y140 AromaticContact CH2-CG 3.69Å; W103-Y140 HydrophobicContact CH2-CG 3.69Å; W103-Y140 HydrophobicContact CZ2-CD1 4.09Å; W103-Y140 AromaticContact CZ2-CD2 3.42Å; W103-Y140 HydrophobicContact CZ2-CD2 3.42Å; W103-Y140 VanDerWaalsContact CZ2-CD2 3.42Å; W103-Y140 HydrophobicContact CZ2-CE1 4.19Å; W103-Y140 AromaticContact CZ2-CE2 3.54Å; W103-Y140 HydrophobicContact CZ2-CE2 3.54Å; W103-Y140 AromaticContact CZ2-CG 3.72Å; W103-Y140 HydrophobicContact CZ2-CG 3.72Å; W103-Y140 AromaticContact CZ2-CZ 3.93Å; W103-Y140 VanDerWaalsContact CZ3-CB 3.44Å; W103-Y140 HydrophobicContact CZ3-CD1 4.23Å; W103-Y140 AromaticContact CZ3-CD2 3.97Å; W103-Y140 HydrophobicContact CZ3-CD2 3.97Å; W103-Y140 AromaticContact CZ3-CG 3.62Å; W103-Y140 HydrophobicContact CZ3-CG 3.62Å; W103-Y140 AromaticContact NE1-CD1 3.9Å; W103-Y140 AromaticContact NE1-CE1 3.43Å; W103-Y140 AromaticContact NE1-CZ 3.54Å
104G98.8Very high94.1Very high0 Ų031.4 Ų31.40%018%0.177CC..  trans-99.8-176.2173.900000113.2D69 H106 E107 F108 Y158 H235D69-G104 VanDerWaalsContact OD1-C 3.3Å; D69-G104 WeakPolarHBondContact OD1-CA 3.16Å; G104-H106 VanDerWaalsContact C-N 3.27Å; G104-H106 PolarHBondContact O-N 3.41Å; G104-E107 WeakPolarHBondContact CA-OE2 3.48Å; G104-E107 PolarHBondContact N-OE2 2.96Å; G104-E107 PolarHBondContact O-N 3.24Å; G104-F108 WeakPolarHBondContact O-CD2 3.46Å; G104-Y158 VanDerWaalsContact C-CE2 3.48Å; G104-H235 WeakPolarHBondContact CA-CD2 3.27Å
105N98.8Very high94.9Very high7 Ų730.1 Ų30.14%0.03717%0.166CC..Hα-helixtrans-64.3-32.5-18046.9-56.1000112.3D69 F108 Y109 Y158 L163 H235 H272D69-N105 PolarHBondContact OD1-N 2.78Å; D69-N105 VanDerWaalsContact OD1-N 3.12Å; D69-N105 PolarHBondContact OD2-OD1 2.74Å; N105-F108 CarbonylContact O-C 3.48Å; N105-F108 PolarHBondContact O-N 3.23Å; N105-Y109 HydrophobicContact CB-CE1 4.42Å; N105-Y109 HydrophobicContact CB-CE2 4.2Å; N105-Y109 WeakPolarHBondContact ND2-CE2 3.44Å; N105-Y109 PolarHBondContact ND2-OH 2.86Å; N105-Y109 WeakPolarHBondContact O-CD1 3.35Å; N105-Y109 VanDerWaalsContact O-CG 3.3Å; N105-Y109 PolarHBondContact O-N 2.87Å; N105-Y158 HydrophobicContact CB-CE1 3.69Å; N105-Y158 HydrophobicContact CB-CE2 4.47Å; N105-Y158 VanDerWaalsContact CB-OH 3.27Å; N105-Y158 WeakPolarHBondContact CB-OH 3.37Å; N105-Y158 VanDerWaalsContact N-CZ 3.31Å; N105-Y158 PolarHBondContact N-OH 2.82Å; N105-Y158 PolarHBondContact OD1-OH 2.74Å; N105-Y158 VanDerWaalsContact OD1-OH 3.08Å; N105-L163 HydrophobicContact CB-CD1 3.58Å; N105-H235 PolarHBondContact OD1-NE2 3.49Å; N105-H235 VanDerWaalsContact OD1-NE2 3.13Å; N105-H272 PolarHBondContact OD1-CE1 2.78Å; N105-H272 PolarHBondContact OD1-ND1 3.28Å
106H98.7Very high95.8Very high13 Ų1329.2 Ų29.26%0.0616%0.16CC..Hα-helixtrans-73.6-25.5-178.6-76-122000113.2Q22 D69 I71 D72 G73 G104 F108 Y109 N110Q22-H106 PolarHBondContact NE2-CD2 3.39Å; Q22-H106 PolarHBondContact NE2-NE2 2.95Å; D69-H106 HydrophobicContact CB-CB 4.17Å; D69-H106 VanDerWaalsContact OD1-CB 3.32Å; D69-H106 WeakPolarHBondContact OD1-CB 3.04Å; D69-H106 IonicContact OD1-CD2 2.77Å; D69-H106 IonicContact OD1-CG 3.61Å; D69-H106 PolarHBondContact OD1-N 2.82Å; D69-H106 IonicContact OD2-CD2 3.7Å; D69-H106 PolarHBondContact OD2-CD2 3.38Å; D69-H106 IonicContact OD2-CG 3.13Å; D69-H106 IonicContact OD2-NE2 3.55Å; I71-H106 VanDerWaalsContact O-CB 3.3Å; I71-H106 WeakPolarHBondContact O-CB 3.2Å; D72-H106 WeakPolarHBondContact CA-ND1 3.31Å; D72-H106 IonicContact OD2-CE1 3.3Å; D72-H106 PolarHBondContact OD2-CE1 3.08Å; D72-H106 IonicContact OD2-ND1 3.83Å; D72-H106 PolarHBondContact OD2-ND1 2.83Å; G73-H106 PolarHBondContact N-ND1 2.69Å; G104-H106 VanDerWaalsContact C-N 3.27Å; G104-H106 PolarHBondContact O-N 3.41Å; H106-F108 VanDerWaalsContact C-N 3.32Å; H106-Y109 HydrophobicContact CB-CD2 4.22Å; H106-Y109 AromaticContact CD2-CD2 3.78Å; H106-Y109 AromaticContact CD2-CE2 3.56Å; H106-Y109 AromaticContact CG-CD2 3.76Å; H106-Y109 AromaticContact NE2-CE2 3.64Å; H106-Y109 PolarHBondContact O-N 2.71Å; H106-N110 PolarHBondContact O-N 2.95Å; H106-N110 PolarHBondContact O-ND2 3Å
107E98.8Very high96.7Very high1 Ų124.7 Ų24.71%0.00513%0.127CC..Hα-helixtrans-59.9-46.6166.4-81.266.9-116.600110.2D69 I70 W103 G104 Y109 N110 F111 L116 L121D69-E107 WeakPolarHBondContact CA-OE1 3.39Å; D69-E107 PolarHBondContact N-OE1 2.65Å; D69-E107 PolarHBondContact N-OE2 2.67Å; I70-E107 VanDerWaalsContact CG2-OE1 3.32Å; I70-E107 WeakPolarHBondContact CG2-OE1 3.4Å; I70-E107 PolarHBondContact N-OE1 3Å; W103-E107 HydrophobicContact CB-CB 4.42Å; G104-E107 WeakPolarHBondContact CA-OE2 3.48Å; G104-E107 PolarHBondContact N-OE2 2.96Å; G104-E107 PolarHBondContact O-N 3.24Å; E107-Y109 VanDerWaalsContact C-N 3.34Å; E107-Y109 PolarHBondContact O-N 2.99Å; E107-N110 PolarHBondContact O-N 2.88Å; E107-N110 VanDerWaalsContact O-N 3.12Å; E107-F111 PolarHBondContact O-N 3.38Å; E107-L116 HydrophobicContact CB-CD1 3.98Å; E107-L116 HydrophobicContact CB-CD2 4.13Å; E107-L116 HydrophobicContact CG-CD2 4.25Å; E107-L121 HydrophobicContact CG-CD1 4.04Å
108F98.6Very high96.9Very high17 Ų1731.2 Ų31.28%0.07515%0.148CC..Hα-helixtrans-76.8-14.7-179.5-60.6-63.4000114.6W103 G104 N105 H106 N110 R113 L116 Y158 L163W103-F108 HydrophobicContact CB-CE2 4.05Å; W103-F108 HydrophobicContact CB-CZ 4.06Å; W103-F108 HydrophobicContact CE3-CE1 4.14Å; W103-F108 AromaticContact CE3-CZ 3.84Å; W103-F108 HydrophobicContact CE3-CZ 3.84Å; G104-F108 WeakPolarHBondContact O-CD2 3.46Å; N105-F108 CarbonylContact O-C 3.48Å; N105-F108 PolarHBondContact O-N 3.23Å; H106-F108 VanDerWaalsContact C-N 3.32Å; F108-N110 VanDerWaalsContact C-N 3.33Å; F108-R113 HydrophobicContact CE1-CB 4.41Å; F108-L116 HydrophobicContact CD1-CD1 3.73Å; F108-L116 HydrophobicContact CE1-CD1 3.58Å; F108-L116 HydrophobicContact CZ-CD1 4.31Å; F108-Y158 HydrophobicContact CD2-CD1 4.26Å; F108-Y158 HydrophobicContact CD2-CD2 4.07Å; F108-Y158 AromaticContact CD2-CG 3.75Å; F108-Y158 HydrophobicContact CD2-CG 3.75Å; F108-Y158 AromaticContact CE2-CD2 3.76Å; F108-Y158 HydrophobicContact CE2-CD2 3.76Å; F108-Y158 AromaticContact CE2-CG 3.62Å; F108-Y158 HydrophobicContact CE2-CG 3.62Å; F108-L163 HydrophobicContact CB-CB 3.79Å; F108-L163 HydrophobicContact CG-CB 4.44Å
109Y98.4Very high97.1Very high72 Ų7228.9 Ų28.928%0.28214%0.141SC..Hα-helixtrans-72.8-29.5165.8-63.3-26000112.3K76 N105 H106 E107 L163 F204K76-Y109 WeakPolarHBondContact CB-O 3.34Å; K76-Y109 WeakPolarHBondContact CG-O 3.4Å; N105-Y109 HydrophobicContact CB-CE1 4.42Å; N105-Y109 HydrophobicContact CB-CE2 4.2Å; N105-Y109 WeakPolarHBondContact ND2-CE2 3.44Å; N105-Y109 PolarHBondContact ND2-OH 2.86Å; N105-Y109 WeakPolarHBondContact O-CD1 3.35Å; N105-Y109 VanDerWaalsContact O-CG 3.3Å; N105-Y109 PolarHBondContact O-N 2.87Å; H106-Y109 HydrophobicContact CB-CD2 4.22Å; H106-Y109 AromaticContact CD2-CD2 3.78Å; H106-Y109 AromaticContact CD2-CE2 3.56Å; H106-Y109 AromaticContact CG-CD2 3.76Å; H106-Y109 AromaticContact NE2-CE2 3.64Å; H106-Y109 PolarHBondContact O-N 2.71Å; E107-Y109 VanDerWaalsContact C-N 3.34Å; E107-Y109 PolarHBondContact O-N 2.99Å; Y109-L163 HydrophobicContact CD1-CD1 4.16Å; Y109-L163 HydrophobicContact CD1-CD2 4.12Å; Y109-L163 HydrophobicContact CE1-CD1 3.41Å; Y109-L163 VanDerWaalsContact CE1-CD1 3.41Å; Y109-L163 HydrophobicContact CE1-CD2 3.67Å; Y109-L163 HydrophobicContact CE1-CG 4.19Å; Y109-F204 WeakPolarHBondContact OH-CB 3.34Å
110N98.7Very high97Very high3 Ų332.5 Ų32.52%0.01616%0.163CC..Hα-helixtrans-93.2-41.3-176.1-78.3-74.6000112.6I71 D72 K76 S81 H106 E107 F108I71-N110 HydrophobicContact CD1-CB 4.13Å; D72-N110 PolarHBondContact O-ND2 3.17Å; D72-N110 PolarHBondContact O-OD1 3.21Å; K76-N110 PolarHBondContact N-OD1 2.93Å; K76-N110 PolarHBondContact NZ-O 2.77Å; S81-N110 WeakPolarHBondContact CB-OD1 3.36Å; S81-N110 PolarHBondContact OG-OD1 3.33Å; H106-N110 PolarHBondContact O-N 2.95Å; H106-N110 PolarHBondContact O-ND2 3Å; E107-N110 PolarHBondContact O-N 2.88Å; E107-N110 VanDerWaalsContact O-N 3.12Å; F108-N110 VanDerWaalsContact C-N 3.33Å
111F98.3Very high96.9Very high15 Ų1532.4 Ų32.47%0.06616%0.162CC..  trans-131.9148.7-165.2-53.2-67.9000111.8I71 E82 L85 E107 T115 L116I71-F111 HydrophobicContact CD1-CE2 3.65Å; I71-F111 HydrophobicContact CD1-CZ 3.84Å; I71-F111 HydrophobicContact CG1-CE2 4.42Å; E82-F111 HydrophobicContact CG-CE1 4.48Å; L85-F111 HydrophobicContact CB-CZ 4.29Å; L85-F111 HydrophobicContact CD2-CE2 4.14Å; L85-F111 HydrophobicContact CD2-CZ 3.98Å; E107-F111 PolarHBondContact O-N 3.38Å; F111-T115 HydrophobicContact CB-CG2 4.16Å; F111-T115 HydrophobicContact CD1-CG2 3.9Å; F111-T115 HydrophobicContact CG-CG2 4.33Å; F111-L116 HydrophobicContact CB-CD1 4.38Å; F111-L116 HydrophobicContact CB-CD2 3.92Å; F111-L116 HydrophobicContact CB-CG 3.76Å; F111-L116 HydrophobicContact CD2-CD2 3.8Å; F111-L116 HydrophobicContact CG-CD2 4.19Å
112S96.6Very high96.8Very high48 Ų4833 Ų3334%0.33617%0.165SC..  trans-71.7158.3164.769.50000109.6D114 T115 L116S112-D114 PolarHBondContact O-N 3.14Å; S112-T115 WeakPolarHBondContact O-CB 3.37Å; S112-T115 PolarHBondContact O-N 3.15Å; S112-T115 VanDerWaalsContact O-N 3.12Å; S112-T115 PolarHBondContact OG-N 2.74Å; S112-T115 PolarHBondContact OG-OG1 2.85Å; S112-L116 PolarHBondContact O-N 3.09Å
113R95.1Very high96.5Very high19 Ų1933.1 Ų33.17%0.07217%0.167CC..Hα-helixtrans-58.5-37.7175.6-175.5170.9-78.2-87.16.8112.2W103 F108 L116 M117 E138 D156 Y158 G164W103-R113 HydrophobicContact CZ3-CG 4.25Å; F108-R113 HydrophobicContact CE1-CB 4.41Å; R113-L116 PolarHBondContact O-N 3.32Å; R113-M117 WeakPolarHBondContact O-CB 3.27Å; R113-M117 VanDerWaalsContact O-CG 3.27Å; R113-M117 WeakPolarHBondContact O-CG 3.33Å; R113-M117 PolarHBondContact O-N 3.15Å; R113-E138 WeakPolarHBondContact CD-O 3.45Å; R113-E138 PolarHBondContact NH1-O 2.93Å; R113-D156 IonicContact CZ-OD2 3.68Å; R113-D156 IonicContact NH1-OD2 2.89Å; R113-D156 PolarHBondContact NH1-OD2 3.35Å; R113-D156 VanDerWaalsContact NH2-CG 3.32Å; R113-D156 IonicContact NH2-OD1 3.52Å; R113-D156 PolarHBondContact NH2-OD1 3.33Å; R113-D156 IonicContact NH2-OD2 2.74Å; R113-D156 PolarHBondContact NH2-OD2 3.46Å; R113-Y158 PolarHBondContact NH2-O 2.99Å; R113-G164 PolarHBondContact NE-O 2.72Å
114D93.8Very high95.8Very high94 Ų9434.3 Ų34.350%0.50317%0.174SC..Hα-helixtrans-64-38.6176.5-176.758.4000112.4S112 R118S112-D114 PolarHBondContact O-N 3.14Å; D114-R118 PolarHBondContact O-NH1 3.08Å; D114-R118 PolarHBondContact O-NH2 3.26Å; D114-R118 IonicContact OD1-CZ 3.82Å; D114-R118 IonicContact OD1-NH1 3.09Å; D114-R118 PolarHBondContact OD1-NH1 3.47Å; D114-R118 IonicContact OD1-NH2 3.83Å; D114-R118 IonicContact OD2-CZ 2.88Å; D114-R118 IonicContact OD2-NH1 3.71Å; D114-R118 PolarHBondContact OD2-NH1 3.01Å; D114-R118 IonicContact OD2-NH2 2.86Å; D114-R118 PolarHBondContact OD2-NH2 3.1Å
115T95.7Very high94.2Very high46 Ų4639.1 Ų39.128%0.28220%0.204SC..Hα-helixtrans-66.1-46.5170.9-650000111.4F111 S112 M117 R118 S119F111-T115 HydrophobicContact CB-CG2 4.16Å; F111-T115 HydrophobicContact CD1-CG2 3.9Å; F111-T115 HydrophobicContact CG-CG2 4.33Å; S112-T115 WeakPolarHBondContact O-CB 3.37Å; S112-T115 PolarHBondContact O-N 3.15Å; S112-T115 VanDerWaalsContact O-N 3.12Å; S112-T115 PolarHBondContact OG-N 2.74Å; S112-T115 PolarHBondContact OG-OG1 2.85Å; T115-M117 VanDerWaalsContact C-N 3.34Å; T115-M117 PolarHBondContact O-N 3.12Å; T115-R118 CarbonylContact O-C 3.42Å; T115-R118 PolarHBondContact O-N 3.1Å; T115-R118 VanDerWaalsContact O-N 3.11Å; T115-S119 WeakPolarHBondContact O-CB 3.31Å; T115-S119 PolarHBondContact O-N 2.87Å; T115-S119 VanDerWaalsContact O-N 3.07Å
116L96.6Very high92.1Very high1 Ų143.8 Ų43.81%0.00523%0.229CC..Hα-helixtrans-59.9-42.7179.6-71.8168.3000112.2W103 E107 F108 F111 S112 R113 R118 S119 L121W103-L116 HydrophobicContact CD2-CB 4.26Å; W103-L116 HydrophobicContact CD2-CD1 4.1Å; W103-L116 HydrophobicContact CE3-CB 4.16Å; W103-L116 HydrophobicContact CE3-CD1 3.95Å; W103-L116 HydrophobicContact CH2-CB 3.48Å; W103-L116 VanDerWaalsContact CH2-CB 3.48Å; W103-L116 HydrophobicContact CZ2-CB 3.61Å; W103-L116 HydrophobicContact CZ3-CB 3.77Å; W103-L116 HydrophobicContact CZ3-CD1 4.28Å; E107-L116 HydrophobicContact CB-CD1 3.98Å; E107-L116 HydrophobicContact CB-CD2 4.13Å; E107-L116 HydrophobicContact CG-CD2 4.25Å; F108-L116 HydrophobicContact CD1-CD1 3.73Å; F108-L116 HydrophobicContact CE1-CD1 3.58Å; F108-L116 HydrophobicContact CZ-CD1 4.31Å; F111-L116 HydrophobicContact CB-CD1 4.38Å; F111-L116 HydrophobicContact CB-CD2 3.92Å; F111-L116 HydrophobicContact CB-CG 3.76Å; F111-L116 HydrophobicContact CD2-CD2 3.8Å; F111-L116 HydrophobicContact CG-CD2 4.19Å; S112-L116 PolarHBondContact O-N 3.09Å; R113-L116 PolarHBondContact O-N 3.32Å; L116-R118 PolarHBondContact O-N 3.05Å; L116-S119 WeakPolarHBondContact O-CB 3.45Å; L116-S119 PolarHBondContact O-N 2.88Å; L116-S119 PolarHBondContact O-OG 3.36Å; L116-L121 HydrophobicContact CD2-CB 4.49Å; L116-L121 HydrophobicContact CD2-CD1 3.91Å
117M93.7Very high89.8Confident44 Ų4444.5 Ų44.522%0.21724%0.235CC..Hα-helixtrans-61.2-24177.1-73.9-66.7-178.300113.7W103 R113 T115 N122 Y140W103-M117 HydrophobicContact CH2-CE 3.89Å; W103-M117 HydrophobicContact CH2-CG 3.87Å; W103-M117 HydrophobicContact CH2-SD 3.63Å; W103-M117 HydrophobicContact CZ3-CE 3.93Å; W103-M117 HydrophobicContact CZ3-CG 4.43Å; W103-M117 HydrophobicContact CZ3-SD 4.28Å; R113-M117 WeakPolarHBondContact O-CB 3.27Å; R113-M117 VanDerWaalsContact O-CG 3.27Å; R113-M117 WeakPolarHBondContact O-CG 3.33Å; R113-M117 PolarHBondContact O-N 3.15Å; T115-M117 VanDerWaalsContact C-N 3.34Å; T115-M117 PolarHBondContact O-N 3.12Å; M117-N122 PolarHBondContact O-ND2 3.01Å; M117-Y140 HydrophobicContact CE-CD2 4.35Å; M117-Y140 HydrophobicContact SD-CD2 4.39Å
118R93.6Very high87.2Confident166 Ų16653.4 Ų53.463%0.62628%0.277SS*.THydrogen-bonded Turntrans-101.2-0.4175.3-68.3-169.8-64.1-88.4-4.9113.7D114 T115 L116D114-R118 PolarHBondContact O-NH1 3.08Å; D114-R118 PolarHBondContact O-NH2 3.26Å; D114-R118 IonicContact OD1-CZ 3.82Å; D114-R118 IonicContact OD1-NH1 3.09Å; D114-R118 PolarHBondContact OD1-NH1 3.47Å; D114-R118 IonicContact OD1-NH2 3.83Å; D114-R118 IonicContact OD2-CZ 2.88Å; D114-R118 IonicContact OD2-NH1 3.71Å; D114-R118 PolarHBondContact OD2-NH1 3.01Å; D114-R118 IonicContact OD2-NH2 2.86Å; D114-R118 PolarHBondContact OD2-NH2 3.1Å; T115-R118 CarbonylContact O-C 3.42Å; T115-R118 PolarHBondContact O-N 3.1Å; T115-R118 VanDerWaalsContact O-N 3.11Å; L116-R118 PolarHBondContact O-N 3.05Å
119S95Very high84.7Confident29 Ų2956.4 Ų56.420%0.20331%0.305CS..SBendtrans-91.9170.2-176.478.40000111.6T115 L116 L121 N122T115-S119 WeakPolarHBondContact O-CB 3.31Å; T115-S119 PolarHBondContact O-N 2.87Å; T115-S119 VanDerWaalsContact O-N 3.07Å; L116-S119 WeakPolarHBondContact O-CB 3.45Å; L116-S119 PolarHBondContact O-N 2.88Å; L116-S119 PolarHBondContact O-OG 3.36Å; S119-L121 PolarHBondContact O-N 3.23Å; S119-L121 VanDerWaalsContact O-N 3.15Å; S119-L121 WeakPolarHBondContact OG-CB 3.38Å; S119-L121 PolarHBondContact OG-N 3.4Å; S119-L121 VanDerWaalsContact OG-N 3.12Å; S119-N122 PolarHBondContact O-N 3.48Å; S119-N122 VanDerWaalsContact O-N 3.1Å
120V94.6Very high82.7Confident95 Ų9555.7 Ų55.758%0.57632%0.319SS*.THydrogen-bonded Turntrans-62.2-13.6170.6-61.10000113.8L85 M89 N122L85-V120 HydrophobicContact CD2-CG2 4.26Å; L85-V120 HydrophobicContact CG-CG2 4.46Å; M89-V120 HydrophobicContact CE-CB 4.29Å; M89-V120 HydrophobicContact CE-CG2 4.04Å; M89-V120 HydrophobicContact CG-CG2 3.81Å; M89-V120 HydrophobicContact SD-CG2 4.17Å; V120-N122 VanDerWaalsContact C-N 3.3Å
121L96.4Very high80.9Confident2 Ų256.9 Ų56.91%0.0133%0.332CS..THydrogen-bonded Turntrans-83.1-4.6175.2-60.5178.3000113I70 L85 M89 H101 W103 E107 L116 S119 S123 Y140I70-L121 HydrophobicContact CD1-CD2 3.96Å; I70-L121 HydrophobicContact CG2-CD1 4.04Å; I70-L121 HydrophobicContact CG2-CD2 4.23Å; L85-L121 HydrophobicContact CD1-CD1 3.88Å; L85-L121 HydrophobicContact CD1-CD2 3.92Å; L85-L121 HydrophobicContact CD1-CG 3.98Å; L85-L121 HydrophobicContact CD2-CD1 4.16Å; L85-L121 HydrophobicContact CD2-CG 4.29Å; M89-L121 HydrophobicContact SD-CD2 4.26Å; H101-L121 HydrophobicContact CB-CB 4.41Å; H101-L121 HydrophobicContact CB-CD2 4.17Å; W103-L121 PolarHBondContact NE1-O 3.07Å; E107-L121 HydrophobicContact CG-CD1 4.04Å; L116-L121 HydrophobicContact CD2-CB 4.49Å; L116-L121 HydrophobicContact CD2-CD1 3.91Å; S119-L121 PolarHBondContact O-N 3.23Å; S119-L121 VanDerWaalsContact O-N 3.15Å; S119-L121 WeakPolarHBondContact OG-CB 3.38Å; S119-L121 PolarHBondContact OG-N 3.4Å; S119-L121 VanDerWaalsContact OG-N 3.12Å; L121-S123 PolarHBondContact O-N 3Å; L121-Y140 PolarHBondContact O-OH 2.61Å; L121-Y140 VanDerWaalsContact O-OH 3.09Å
122N95.2Very high79.6Confident16 Ų1657 Ų579%0.08634%0.338CS..  trans-85.194.5171.7-178.54.7000110.5W103 M117 S119 V120 T124 Y140W103-N122 HydrophobicContact CZ2-CB 4.26Å; M117-N122 PolarHBondContact O-ND2 3.01Å; S119-N122 PolarHBondContact O-N 3.48Å; S119-N122 VanDerWaalsContact O-N 3.1Å; V120-N122 VanDerWaalsContact C-N 3.3Å; N122-T124 VanDerWaalsContact C-N 3.26Å; N122-T124 PolarHBondContact ND2-OG1 3.47Å; N122-T124 PolarHBondContact O-N 3.35Å; N122-T124 WeakPolarHBondContact OD1-CB 3.39Å; N122-T124 WeakPolarHBondContact OD1-CG2 3.14Å; N122-T124 PolarHBondContact OD1-N 2.8Å; N122-T124 PolarHBondContact OD1-OG1 2.76Å; N122-Y140 WeakPolarHBondContact OD1-CE2 3.35Å
123S92.3Very high78.6Confident5 Ų560.1 Ų60.14%0.03535%0.347CS..THydrogen-bonded Turntrans-81.75.8178.1-54.70000114V99 H101 L121 Y140 Y142V99-S123 PolarHBondContact O-OG 3.02Å; V99-S123 VanDerWaalsContact O-OG 3.08Å; H101-S123 PolarHBondContact N-OG 2.75Å; L121-S123 PolarHBondContact O-N 3Å; S123-Y140 WeakPolarHBondContact CB-OH 3.4Å; S123-Y140 PolarHBondContact N-OH 3.05Å; S123-Y142 VanDerWaalsContact CB-OH 3.32Å; S123-Y142 WeakPolarHBondContact CB-OH 3.32Å
124T85.1Confident77.4Confident28 Ų2860.3 Ų60.317%0.17235%0.349CS..THydrogen-bonded Turntrans-76.6-22.3-179.564.40000113.7N122 D126 S127 Y140 Y142N122-T124 VanDerWaalsContact C-N 3.26Å; N122-T124 PolarHBondContact ND2-OG1 3.47Å; N122-T124 PolarHBondContact O-N 3.35Å; N122-T124 WeakPolarHBondContact OD1-CB 3.39Å; N122-T124 WeakPolarHBondContact OD1-CG2 3.14Å; N122-T124 PolarHBondContact OD1-N 2.8Å; N122-T124 PolarHBondContact OD1-OG1 2.76Å; T124-D126 VanDerWaalsContact C-N 3.28Å; T124-D126 PolarHBondContact O-N 3.11Å; T124-S127 PolarHBondContact O-OG 3.45Å; T124-Y140 HydrophobicContact CG2-CD2 3.93Å; T124-Y140 HydrophobicContact CG2-CE2 3.7Å; T124-Y142 HydrophobicContact CG2-CD1 3.61Å; T124-Y142 HydrophobicContact CG2-CE1 4.26Å; T124-Y142 HydrophobicContact CG2-CG 3.93Å
125T64Low75.7Confident101 Ų10161 Ų6162%0.6236%0.361SS*.THydrogen-bonded Turntrans-75.8-15.8-174.351.30000113.7
126D54.7Low74.2Confident104 Ų10460.8 Ų60.856%0.55636%0.362SS*.THydrogen-bonded Turntrans-97.5-0.2-174.5-65.2-20.7000113.3T124 E128T124-D126 VanDerWaalsContact C-N 3.28Å; T124-D126 PolarHBondContact O-N 3.11Å; D126-E128 VanDerWaalsContact C-N 3.31Å; D126-E128 PolarHBondContact O-N 3.13Å
127S49.9Very low72.5Confident28 Ų2866.4 Ų66.420%0.19640%0.4CS..  trans-82.660-173.781.60000113.8T124T124-S127 PolarHBondContact O-OG 3.45Å
128E45.6Very low72Confident189 Ų18969.1 Ų69.188%0.88341%0.412SS*.  trans-78.8-13179.9-71.1-155154.300114.6D126D126-E128 VanDerWaalsContact C-N 3.31Å; D126-E128 PolarHBondContact O-N 3.13Å
129A46.2Very low72Confident80 Ų8061.5 Ų61.566%0.66138%0.384SS*.SBendtrans-114.195.1-177.600000113.4G131A129-G131 PolarHBondContact O-N 2.83Å
130G55.3Low72.1Confident56 Ų5660.2 Ų60.258%0.57737%0.374SS*.SBendtrans70.813.4171.100000115.5R151G130-R151 PolarHBondContact O-NH1 3.09Å
131G62Low72.1Confident28 Ų2855.7 Ų55.729%0.28935%0.347SS..  trans-88.6167.3176.800000113.6A129 H143A129-G131 PolarHBondContact O-N 2.83Å; G131-H143 CarbonylContact C-O 3.56Å; G131-H143 WeakPolarHBondContact CA-O 3.2Å
132G71.3Confident72.2Confident19 Ų1955.7 Ų55.720%0.19635%0.347CS..EExtended strand (participates in β ladder)trans-158.2145.3176.900000109Y142 H143G132-Y142 CarbonylContact O-C 3.59Å; G132-Y142 WeakPolarHBondContact O-CA 3.47Å; G132-H143 PolarHBondContact N-CE1 2.83Å; G132-H143 PolarHBondContact N-ND1 2.8Å; G132-H143 PolarHBondContact N-O 2.91Å; G132-H143 VanDerWaalsContact N-O 3.1Å; G132-H143 PolarHBondContact O-N 3.19Å
133H75Confident72.2Confident112 Ų11256.2 Ų56.252%0.51935%0.349SS..EExtended strand (participates in β ladder)trans-120.2156.2176.457.6-88.8000109.5S135H133-S135 PolarHBondContact O-N 3.22Å
134L69.3Low72.4Confident24 Ų2456.8 Ų56.813%0.12635%0.35CS..  trans-67.5123.1170.8-173.850.7000108.6S136 I139 A141 Q212 W215L134-S136 PolarHBondContact O-N 2.94Å; L134-I139 HydrophobicContact CD2-CB 3.97Å; L134-I139 HydrophobicContact CD2-CD1 3.46Å; L134-I139 VanDerWaalsContact CD2-CD1 3.46Å; L134-I139 HydrophobicContact CD2-CG1 4.3Å; L134-I139 HydrophobicContact CD2-CG2 3.94Å; L134-I139 HydrophobicContact CG-CD1 4.43Å; L134-A141 PolarHBondContact N-O 3.1Å; L134-A141 VanDerWaalsContact N-O 3.09Å; L134-Q212 HydrophobicContact CD2-CB 4.4Å; L134-W215 HydrophobicContact CB-CD2 4.36Å; L134-W215 HydrophobicContact CB-CG 4.36Å; L134-W215 HydrophobicContact CD1-CB 3.76Å; L134-W215 HydrophobicContact CD1-CG 3.74Å; L134-W215 HydrophobicContact CD2-CB 4.28Å; L134-W215 HydrophobicContact CD2-CG 4.42Å; L134-W215 HydrophobicContact CG-CG 4.4Å
135S58.2Low73Confident108 Ų10857.1 Ų57.176%0.75535%0.354SS*.SBendtrans-66.9-6.1-170.456.30000115H133H133-S135 PolarHBondContact O-N 3.22Å
136S63.7Low74.4Confident42 Ų4252.9 Ų52.929%0.29433%0.328SS..  trans-79.3118.2173.5179.80000109.9L134 E138 I139L134-S136 PolarHBondContact O-N 2.94Å; S136-E138 PolarHBondContact O-N 2.87Å; S136-I139 PolarHBondContact O-N 2.86Å
137C61.9Low76.3Confident118 Ų11848.7 Ų48.780%0.79731%0.308SS*.THydrogen-bonded Turntrans-57.9-3.4177-58.90000114.3
138E84Confident78.5Confident102 Ų10252.9 Ų52.948%0.47734%0.335SS..THydrogen-bonded Turntrans-105.4-4.4-175.7-60.1-166.9135.500114.7R113 S136 R165R113-E138 WeakPolarHBondContact CD-O 3.45Å; R113-E138 PolarHBondContact NH1-O 2.93Å; S136-E138 PolarHBondContact O-N 2.87Å; E138-R165 PolarHBondContact O-NH1 3.46Å; E138-R165 PolarHBondContact O-NH2 3.23Å
139I92.8Very high80.9Confident6 Ų650.6 Ų50.63%0.03132%0.322CS..  trans-123.3122.6-178.7-54.8171.5000109.3L134 S136 A141 D156 K171 D211 Q212L134-I139 HydrophobicContact CD2-CB 3.97Å; L134-I139 HydrophobicContact CD2-CD1 3.46Å; L134-I139 VanDerWaalsContact CD2-CD1 3.46Å; L134-I139 HydrophobicContact CD2-CG1 4.3Å; L134-I139 HydrophobicContact CD2-CG2 3.94Å; L134-I139 HydrophobicContact CG-CD1 4.43Å; S136-I139 PolarHBondContact O-N 2.86Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 HydrophobicContact CG2-CB 3.89Å; I139-A141 PolarHBondContact O-N 3.42Å; I139-A141 VanDerWaalsContact O-N 3.15Å; I139-D156 HydrophobicContact CG2-CB 3.96Å; I139-K171 VanDerWaalsContact CG1-NZ 3.25Å; I139-D211 HydrophobicContact CD1-CB 4.24Å; I139-Q212 HydrophobicContact CG2-CB 4.44Å; I139-Q212 HydrophobicContact CG2-CG 4.18Å
140Y95.9Very high83.4Confident2 Ų247 Ų471%0.00829%0.291CS..  trans-90.368.7179.3-179-108.9000110.4H101 W103 M117 L121 N122 S123 T124 Y142 D156H101-Y140 WeakPolarHBondContact O-CE1 3.37Å; H101-Y140 PolarHBondContact O-OH 2.92Å; W103-Y140 HydrophobicContact CB-CD1 4.32Å; W103-Y140 AromaticContact CD1-CD1 3.98Å; W103-Y140 AromaticContact CD1-CE1 3.61Å; W103-Y140 AromaticContact CD2-CD1 3.37Å; W103-Y140 HydrophobicContact CD2-CD1 3.37Å; W103-Y140 HydrophobicContact CD2-CD2 4.23Å; W103-Y140 AromaticContact CD2-CE1 3.75Å; W103-Y140 HydrophobicContact CD2-CE1 3.75Å; W103-Y140 AromaticContact CD2-CG 3.64Å; W103-Y140 HydrophobicContact CD2-CG 3.64Å; W103-Y140 AromaticContact CE2-CD1 3.57Å; W103-Y140 AromaticContact CE2-CD2 3.79Å; W103-Y140 AromaticContact CE2-CE1 3.56Å; W103-Y140 AromaticContact CE2-CE2 3.78Å; W103-Y140 AromaticContact CE2-CG 3.69Å; W103-Y140 AromaticContact CE2-CZ 3.67Å; W103-Y140 AromaticContact CE3-CD1 3.72Å; W103-Y140 HydrophobicContact CE3-CD1 3.72Å; W103-Y140 HydrophobicContact CE3-CD2 4.28Å; W103-Y140 AromaticContact CE3-CG 3.58Å; W103-Y140 HydrophobicContact CE3-CG 3.58Å; W103-Y140 AromaticContact CG-CD1 3.66Å; W103-Y140 HydrophobicContact CG-CD1 3.66Å; W103-Y140 AromaticContact CG-CE1 3.77Å; W103-Y140 HydrophobicContact CG-CE1 3.77Å; W103-Y140 HydrophobicContact CG-CG 4.4Å; W103-Y140 HydrophobicContact CH2-CD1 4.4Å; W103-Y140 AromaticContact CH2-CD2 3.53Å; W103-Y140 HydrophobicContact CH2-CD2 3.53Å; W103-Y140 HydrophobicContact CH2-CE2 4.13Å; W103-Y140 AromaticContact CH2-CG 3.69Å; W103-Y140 HydrophobicContact CH2-CG 3.69Å; W103-Y140 HydrophobicContact CZ2-CD1 4.09Å; W103-Y140 AromaticContact CZ2-CD2 3.42Å; W103-Y140 HydrophobicContact CZ2-CD2 3.42Å; W103-Y140 VanDerWaalsContact CZ2-CD2 3.42Å; W103-Y140 HydrophobicContact CZ2-CE1 4.19Å; W103-Y140 AromaticContact CZ2-CE2 3.54Å; W103-Y140 HydrophobicContact CZ2-CE2 3.54Å; W103-Y140 AromaticContact CZ2-CG 3.72Å; W103-Y140 HydrophobicContact CZ2-CG 3.72Å; W103-Y140 AromaticContact CZ2-CZ 3.93Å; W103-Y140 VanDerWaalsContact CZ3-CB 3.44Å; W103-Y140 HydrophobicContact CZ3-CD1 4.23Å; W103-Y140 AromaticContact CZ3-CD2 3.97Å; W103-Y140 HydrophobicContact CZ3-CD2 3.97Å; W103-Y140 AromaticContact CZ3-CG 3.62Å; W103-Y140 HydrophobicContact CZ3-CG 3.62Å; W103-Y140 AromaticContact NE1-CD1 3.9Å; W103-Y140 AromaticContact NE1-CE1 3.43Å; W103-Y140 AromaticContact NE1-CZ 3.54Å; M117-Y140 HydrophobicContact CE-CD2 4.35Å; M117-Y140 HydrophobicContact SD-CD2 4.39Å; L121-Y140 PolarHBondContact O-OH 2.61Å; L121-Y140 VanDerWaalsContact O-OH 3.09Å; N122-Y140 WeakPolarHBondContact OD1-CE2 3.35Å; S123-Y140 WeakPolarHBondContact CB-OH 3.4Å; S123-Y140 PolarHBondContact N-OH 3.05Å; T124-Y140 HydrophobicContact CG2-CD2 3.93Å; T124-Y140 HydrophobicContact CG2-CE2 3.7Å; Y140-Y142 HydrophobicContact CE1-CE1 4.24Å; Y140-Y142 HydrophobicContact CE2-CE1 4.3Å; Y140-Y142 AromaticContact CZ-CE1 3.85Å; Y140-D156 PolarHBondContact N-OD2 3.1Å
141A96.4Very high85.4Confident0 Ų045.3 Ų45.30%027%0.267CS..  trans-129.4132.9179.300000110.5L134 I139 V154 Q212 W215L134-A141 PolarHBondContact N-O 3.1Å; L134-A141 VanDerWaalsContact N-O 3.09Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 HydrophobicContact CG2-CB 3.89Å; I139-A141 PolarHBondContact O-N 3.42Å; I139-A141 VanDerWaalsContact O-N 3.15Å; A141-V154 VanDerWaalsContact CA-O 3.28Å; A141-V154 WeakPolarHBondContact CA-O 3.46Å; A141-Q212 HydrophobicContact CB-CG 4.22Å; A141-W215 HydrophobicContact CB-CE3 4.35Å; A141-W215 HydrophobicContact CB-CH2 4.06Å; A141-W215 HydrophobicContact CB-CZ3 3.79Å
142Y96.8Very high87.2Confident1 Ų144 Ų440%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-154.4166-176.768.3-81.2000111.4H100 S123 T124 G132 Y140 F144 V154H100-Y142 WeakPolarHBondContact CB-OH 3.38Å; H100-Y142 AromaticContact ND1-CE2 3.73Å; H100-Y142 AromaticContact ND1-CZ 3.92Å; H100-Y142 PolarHBondContact ND1-OH 2.91Å; S123-Y142 VanDerWaalsContact CB-OH 3.32Å; S123-Y142 WeakPolarHBondContact CB-OH 3.32Å; T124-Y142 HydrophobicContact CG2-CD1 3.61Å; T124-Y142 HydrophobicContact CG2-CE1 4.26Å; T124-Y142 HydrophobicContact CG2-CG 3.93Å; G132-Y142 CarbonylContact O-C 3.59Å; G132-Y142 WeakPolarHBondContact O-CA 3.47Å; Y140-Y142 HydrophobicContact CE1-CE1 4.24Å; Y140-Y142 HydrophobicContact CE2-CE1 4.3Å; Y140-Y142 AromaticContact CZ-CE1 3.85Å; Y142-F144 HydrophobicContact CD2-CD1 4.25Å; Y142-F144 AromaticContact CE2-CD1 3.86Å; Y142-F144 HydrophobicContact CE2-CD1 3.86Å; Y142-F144 HydrophobicContact CE2-CE1 4.22Å; Y142-V154 HydrophobicContact CD1-CB 3.93Å; Y142-V154 HydrophobicContact CD1-CG1 4.36Å; Y142-V154 HydrophobicContact CE1-CB 3.59Å; Y142-V154 HydrophobicContact CE1-CG1 3.78Å; Y142-V154 HydrophobicContact CE1-CG2 3.9Å; Y142-V154 HydrophobicContact CE2-CB 4.47Å; Y142-V154 HydrophobicContact CE2-CG2 4.08Å; Y142-V154 PolarHBondContact N-O 3.49Å; Y142-V154 VanDerWaalsContact N-O 3.1Å; Y142-V154 PolarHBondContact O-N 3.41Å
143H96.8Very high88.5Confident28 Ų2843.1 Ų43.113%0.1325%0.245CC..EExtended strand (participates in β ladder)trans-135.7155173.468.464.1000111.3G131 G132 R151 F152 V153 W215G131-H143 CarbonylContact C-O 3.56Å; G131-H143 WeakPolarHBondContact CA-O 3.2Å; G132-H143 PolarHBondContact N-CE1 2.83Å; G132-H143 PolarHBondContact N-ND1 2.8Å; G132-H143 PolarHBondContact N-O 2.91Å; G132-H143 VanDerWaalsContact N-O 3.1Å; G132-H143 PolarHBondContact O-N 3.19Å; H143-R151 HydrophobicContact CB-CG 4.31Å; H143-R151 PolarHBondContact CE1-NH1 3.33Å; H143-R151 PolarHBondContact ND1-NH1 2.88Å; H143-F152 CarbonylContact C-O 3.57Å; H143-F152 WeakPolarHBondContact CA-O 3.35Å; H143-F152 VanDerWaalsContact CB-O 3.23Å; H143-F152 WeakPolarHBondContact CB-O 3.44Å; H143-V153 HydrophobicContact CB-CB 4.39Å; H143-V153 HydrophobicContact CB-CG1 4.44Å; H143-V153 HydrophobicContact CB-CG2 3.91Å; H143-W215 AromaticContact CD2-CZ2 3.74Å
144F95.9Very high89.6Confident16 Ų1637.8 Ų37.87%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-146.8165.117665.4-83.1000111.1F63 L65 H100 Y142 P146 R151 F152F63-F144 HydrophobicContact CD1-CE2 4.43Å; F63-F144 HydrophobicContact CD2-CE2 4.49Å; F63-F144 HydrophobicContact CD2-CZ 4.32Å; F63-F144 HydrophobicContact CE1-CE2 4.24Å; F63-F144 HydrophobicContact CE2-CE2 4.26Å; F63-F144 HydrophobicContact CE2-CZ 4.03Å; F63-F144 HydrophobicContact CZ-CE2 4.13Å; F63-F144 HydrophobicContact CZ-CZ 4.28Å; L65-F144 HydrophobicContact CD2-CZ 4.45Å; H100-F144 AromaticContact CD2-CE1 3.76Å; H100-F144 AromaticContact CD2-CE2 3.91Å; H100-F144 AromaticContact CD2-CZ 3.34Å; H100-F144 WeakPolarHBondContact CD2-CZ 3.08Å; H100-F144 AromaticContact CE1-CD1 3.89Å; H100-F144 AromaticContact CE1-CE1 3.71Å; H100-F144 AromaticContact CE1-CZ 3.8Å; H100-F144 AromaticContact CG-CE1 3.81Å; H100-F144 AromaticContact CG-CZ 3.87Å; H100-F144 AromaticContact ND1-CE1 3.77Å; H100-F144 AromaticContact NE2-CD2 3.91Å; H100-F144 AromaticContact NE2-CE1 3.68Å; H100-F144 AromaticContact NE2-CE2 3.4Å; H100-F144 WeakPolarHBondContact NE2-CE2 3.23Å; H100-F144 AromaticContact NE2-CZ 3.27Å; H100-F144 VanDerWaalsContact NE2-CZ 3.27Å; H100-F144 WeakPolarHBondContact NE2-CZ 3.38Å; Y142-F144 HydrophobicContact CD2-CD1 4.25Å; Y142-F144 AromaticContact CE2-CD1 3.86Å; Y142-F144 HydrophobicContact CE2-CD1 3.86Å; Y142-F144 HydrophobicContact CE2-CE1 4.22Å; F144-P146 HydrophobicContact CD2-CB 4.48Å; F144-P146 HydrophobicContact CE2-CB 4.25Å; F144-P146 HydrophobicContact CE2-CG 4.24Å; F144-R151 WeakPolarHBondContact O-CA 3.36Å; F144-F152 HydrophobicContact CD1-CB 3.97Å; F144-F152 HydrophobicContact CD2-CB 4.44Å; F144-F152 HydrophobicContact CE1-CB 3.44Å; F144-F152 VanDerWaalsContact CE1-CB 3.44Å; F144-F152 HydrophobicContact CE1-CG 4.33Å; F144-F152 HydrophobicContact CE2-CB 3.96Å; F144-F152 HydrophobicContact CE2-CD2 4.39Å; F144-F152 HydrophobicContact CE2-CG 4.23Å; F144-F152 HydrophobicContact CG-CB 4.45Å; F144-F152 HydrophobicContact CZ-CB 3.42Å; F144-F152 VanDerWaalsContact CZ-CB 3.42Å; F144-F152 HydrophobicContact CZ-CD1 4.37Å; F144-F152 HydrophobicContact CZ-CD2 4.44Å; F144-F152 AromaticContact CZ-CG 3.84Å; F144-F152 HydrophobicContact CZ-CG 3.84Å; F144-F152 PolarHBondContact N-O 3.46Å; F144-F152 PolarHBondContact O-N 3.45Å
145S96.4Very high91Very high36 Ų3636.8 Ų36.825%0.25222%0.215SC..EExtended strand (participates in β ladder)trans-123.299.7-179.3-175.30000110.3A147 Y150S145-A147 VanDerWaalsContact C-N 3.27Å; S145-A147 PolarHBondContact O-N 2.91Å; S145-A147 PolarHBondContact OG-O 2.76Å; S145-A147 VanDerWaalsContact OG-O 3.12Å; S145-Y150 VanDerWaalsContact CA-O 3.31Å; S145-Y150 WeakPolarHBondContact CA-O 3.32Å; S145-Y150 WeakPolarHBondContact CB-O 3.5Å; S145-Y150 PolarHBondContact OG-O 3.39Å
146P94.6Very high92.9Very high11 Ų1131.7 Ų31.77%0.07118%0.179CC..EExtended strand (participates in β ladder)trans-74.4-19.4-177.428.8-34.5000113.2F13 R62 F63 F144 F152F13-P146 HydrophobicContact CD2-CB 4.3Å; F13-P146 HydrophobicContact CD2-CG 4.31Å; F13-P146 HydrophobicContact CE1-CG 4.39Å; F13-P146 HydrophobicContact CE2-CB 4.19Å; F13-P146 HydrophobicContact CE2-CG 3.72Å; F13-P146 HydrophobicContact CZ-CG 3.77Å; R62-P146 PolarHBondContact NE-O 2.84Å; F63-P146 HydrophobicContact CD1-CB 4.04Å; F63-P146 HydrophobicContact CE1-CB 3.44Å; F63-P146 VanDerWaalsContact CE1-CB 3.44Å; F63-P146 HydrophobicContact CE1-CG 3.8Å; F63-P146 HydrophobicContact CZ-CB 4.31Å; F63-P146 HydrophobicContact CZ-CG 4.21Å; F144-P146 HydrophobicContact CD2-CB 4.48Å; F144-P146 HydrophobicContact CE2-CB 4.25Å; F144-P146 HydrophobicContact CE2-CG 4.24Å; P146-F152 HydrophobicContact CG-CD2 3.6Å; P146-F152 HydrophobicContact CG-CE2 3.66Å
147A95.3Very high94.6Very high17 Ų1729.7 Ų29.714%0.1417%0.165CC..EExtended strand (participates in β ladder)trans-155.5157178.700000110.8F13 S145 K149 Y150F13-A147 HydrophobicContact CD1-CB 3.44Å; F13-A147 VanDerWaalsContact CD1-CB 3.44Å; F13-A147 HydrophobicContact CE1-CB 3.72Å; F13-A147 HydrophobicContact CG-CB 4.32Å; S145-A147 VanDerWaalsContact C-N 3.27Å; S145-A147 PolarHBondContact O-N 2.91Å; S145-A147 PolarHBondContact OG-O 2.76Å; S145-A147 VanDerWaalsContact OG-O 3.12Å; A147-K149 PolarHBondContact O-N 3.08Å; A147-Y150 HydrophobicContact CB-CD2 4.12Å; A147-Y150 PolarHBondContact O-N 3.07Å
148P95.1Very high96.3Very high116 Ų11624 Ų2475%0.75313%0.127SC*.THydrogen-bonded Turntrans-52.9133.6176.1-25.634.4000112Y150P148-Y150 VanDerWaalsContact C-N 3.27Å; P148-Y150 WeakPolarHBondContact O-CD2 3.06Å; P148-Y150 PolarHBondContact O-N 3.03Å
149K96.7Very high96.9Very high140 Ų14019.2 Ų19.261%0.60910%0.104SC*.THydrogen-bonded Turntrans70.16.9-175.8-51.2-177.6178.4179.10116.1A147 E228 R229A147-K149 PolarHBondContact O-N 3.08Å; K149-E228 CarbonylContact O-C 3.53Å; K149-E228 VanDerWaalsContact O-CA 3.26Å; K149-E228 WeakPolarHBondContact O-CA 3.47Å; K149-R229 PolarHBondContact O-N 3.44Å
150Y98Very high97.1Very high6 Ų619.4 Ų19.42%0.02411%0.106CC..EExtended strand (participates in β ladder)trans-119.9135.9175.6-63.7-92.1000110.8L12 F13 S145 A147 P148 R229 V308 Y309 Y328L12-Y150 HydrophobicContact CD1-CE2 3.41Å; L12-Y150 VanDerWaalsContact CD1-CE2 3.41Å; L12-Y150 WeakPolarHBondContact CD1-OH 3.42Å; F13-Y150 HydrophobicContact CE1-CD1 4.03Å; F13-Y150 AromaticContact CE1-CD2 3.84Å; F13-Y150 HydrophobicContact CE1-CD2 3.84Å; F13-Y150 HydrophobicContact CE1-CE2 4.44Å; F13-Y150 AromaticContact CE1-CG 3.63Å; F13-Y150 HydrophobicContact CE1-CG 3.63Å; F13-Y150 HydrophobicContact CZ-CD1 4.21Å; F13-Y150 HydrophobicContact CZ-CG 4.04Å; S145-Y150 VanDerWaalsContact CA-O 3.31Å; S145-Y150 WeakPolarHBondContact CA-O 3.32Å; S145-Y150 WeakPolarHBondContact CB-O 3.5Å; S145-Y150 PolarHBondContact OG-O 3.39Å; A147-Y150 HydrophobicContact CB-CD2 4.12Å; A147-Y150 PolarHBondContact O-N 3.07Å; P148-Y150 VanDerWaalsContact C-N 3.27Å; P148-Y150 WeakPolarHBondContact O-CD2 3.06Å; P148-Y150 PolarHBondContact O-N 3.03Å; Y150-R229 WeakPolarHBondContact CA-O 3.42Å; Y150-R229 HydrophobicContact CD1-CB 3.95Å; Y150-R229 HydrophobicContact CE1-CB 4.04Å; Y150-R229 HydrophobicContact CE1-CG 4.43Å; Y150-R229 PolarHBondContact OH-NH1 2.94Å; Y150-V308 HydrophobicContact CD1-CG1 3.81Å; Y150-V308 HydrophobicContact CE1-CG1 3.45Å; Y150-V308 VanDerWaalsContact CE1-CG1 3.45Å; Y150-Y309 PolarHBondContact OH-O 2.76Å; Y150-Y328 HydrophobicContact CE1-CE2 4.21Å
151R98.1Very high97.2Very high19 Ų1919.3 Ų19.37%0.07211%0.105CC..EExtended strand (participates in β ladder)trans-132.2138.1177-175.1171.1-56.9-71.4-14.5109.9G130 H143 F144 V153 E228 R229 V230 T231G130-R151 PolarHBondContact O-NH1 3.09Å; H143-R151 HydrophobicContact CB-CG 4.31Å; H143-R151 PolarHBondContact CE1-NH1 3.33Å; H143-R151 PolarHBondContact ND1-NH1 2.88Å; F144-R151 WeakPolarHBondContact O-CA 3.36Å; R151-V153 HydrophobicContact CG-CG2 4.27Å; R151-E228 IonicContact CZ-OE1 3.36Å; R151-E228 IonicContact CZ-OE2 3.84Å; R151-E228 VanDerWaalsContact CZ-OE2 3.28Å; R151-E228 IonicContact NE-OE2 3.5Å; R151-E228 PolarHBondContact NE-OE2 3.12Å; R151-E228 VanDerWaalsContact NH2-CD 3.34Å; R151-E228 IonicContact NH2-OE1 2.73Å; R151-E228 PolarHBondContact NH2-OE1 3.37Å; R151-E228 IonicContact NH2-OE2 2.95Å; R151-E228 PolarHBondContact NH2-OE2 3.32Å; R151-R229 PolarHBondContact N-O 3.4Å; R151-V230 HydrophobicContact CB-CG2 4.28Å; R151-V230 CarbonylContact O-C 3.49Å; R151-V230 VanDerWaalsContact O-CA 3.31Å; R151-V230 WeakPolarHBondContact O-CA 3.33Å; R151-T231 PolarHBondContact O-N 2.88Å
152F98.6Very high97.3Very high1 Ų120 Ų200%0.00411%0.109CC..EExtended strand (participates in β ladder)trans-111.4137.5169.9-78.1-107.8000108F13 F15 F63 L65 H143 F144 P146 T231 V233F13-F152 AromaticContact CE2-CE2 3.88Å; F13-F152 HydrophobicContact CE2-CE2 3.88Å; F13-F152 HydrophobicContact CE2-CZ 4.17Å; F13-F152 AromaticContact CZ-CE2 3.84Å; F13-F152 HydrophobicContact CZ-CE2 3.84Å; F13-F152 HydrophobicContact CZ-CZ 4.37Å; F15-F152 HydrophobicContact CD1-CZ 4.14Å; F15-F152 HydrophobicContact CE1-CE1 4.06Å; F15-F152 AromaticContact CE1-CZ 3.63Å; F15-F152 HydrophobicContact CE1-CZ 3.63Å; F15-F152 HydrophobicContact CE2-CE1 4.42Å; F15-F152 AromaticContact CZ-CE1 3.95Å; F15-F152 HydrophobicContact CZ-CE1 3.95Å; F15-F152 AromaticContact CZ-CZ 3.98Å; F15-F152 HydrophobicContact CZ-CZ 3.98Å; F63-F152 HydrophobicContact CE2-CD1 4.44Å; F63-F152 HydrophobicContact CE2-CE1 4.29Å; F63-F152 HydrophobicContact CZ-CD1 4.36Å; F63-F152 HydrophobicContact CZ-CD2 4.27Å; F63-F152 HydrophobicContact CZ-CE1 4.05Å; F63-F152 AromaticContact CZ-CE2 3.97Å; F63-F152 HydrophobicContact CZ-CE2 3.97Å; F63-F152 HydrophobicContact CZ-CG 4.47Å; F63-F152 AromaticContact CZ-CZ 3.85Å; F63-F152 HydrophobicContact CZ-CZ 3.85Å; L65-F152 HydrophobicContact CD1-CD1 4.01Å; L65-F152 HydrophobicContact CD1-CE1 3.88Å; H143-F152 CarbonylContact C-O 3.57Å; H143-F152 WeakPolarHBondContact CA-O 3.35Å; H143-F152 VanDerWaalsContact CB-O 3.23Å; H143-F152 WeakPolarHBondContact CB-O 3.44Å; F144-F152 HydrophobicContact CD1-CB 3.97Å; F144-F152 HydrophobicContact CD2-CB 4.44Å; F144-F152 HydrophobicContact CE1-CB 3.44Å; F144-F152 VanDerWaalsContact CE1-CB 3.44Å; F144-F152 HydrophobicContact CE1-CG 4.33Å; F144-F152 HydrophobicContact CE2-CB 3.96Å; F144-F152 HydrophobicContact CE2-CD2 4.39Å; F144-F152 HydrophobicContact CE2-CG 4.23Å; F144-F152 HydrophobicContact CG-CB 4.45Å; F144-F152 HydrophobicContact CZ-CB 3.42Å; F144-F152 VanDerWaalsContact CZ-CB 3.42Å; F144-F152 HydrophobicContact CZ-CD1 4.37Å; F144-F152 HydrophobicContact CZ-CD2 4.44Å; F144-F152 AromaticContact CZ-CG 3.84Å; F144-F152 HydrophobicContact CZ-CG 3.84Å; F144-F152 PolarHBondContact N-O 3.46Å; F144-F152 PolarHBondContact O-N 3.45Å; P146-F152 HydrophobicContact CG-CD2 3.6Å; P146-F152 HydrophobicContact CG-CE2 3.66Å; F152-T231 CarbonylContact C-O 3.51Å; F152-T231 VanDerWaalsContact CA-O 3.27Å; F152-T231 WeakPolarHBondContact CA-O 3.06Å; F152-T231 HydrophobicContact CD1-CG2 3.98Å; F152-T231 HydrophobicContact CE1-CG2 3.66Å; F152-T231 HydrophobicContact CZ-CG2 4.34Å; F152-V233 HydrophobicContact CD1-CG2 4.2Å
153V98.6Very high97.3Very high0 Ų020.6 Ų20.60%011%0.112CC..EExtended strand (participates in β ladder)trans-124.5120.5176.9-173.70000107.9H143 R151 L155 W215 L216 V219 V230 T231 I232 V233H143-V153 HydrophobicContact CB-CB 4.39Å; H143-V153 HydrophobicContact CB-CG1 4.44Å; H143-V153 HydrophobicContact CB-CG2 3.91Å; R151-V153 HydrophobicContact CG-CG2 4.27Å; V153-L155 HydrophobicContact CG1-CD2 3.91Å; V153-W215 HydrophobicContact CG1-CH2 3.7Å; V153-W215 HydrophobicContact CG1-CZ3 3.81Å; V153-L216 HydrophobicContact CG1-CD1 3.89Å; V153-V219 HydrophobicContact CG2-CG1 3.98Å; V153-V230 HydrophobicContact CG2-CG1 3.71Å; V153-T231 PolarHBondContact N-O 3.22Å; V153-I232 HydrophobicContact CB-CG1 4.34Å; V153-I232 CarbonylContact O-C 3.5Å; V153-I232 WeakPolarHBondContact O-CA 3.37Å; V153-V233 PolarHBondContact O-N 3.21Å
154V98.6Very high97.1Very high1 Ų120.2 Ų20.21%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-99.5125.7175.1179.90000108.2V102 A141 Y142 V233V102-V154 HydrophobicContact CG2-CG1 4.07Å; A141-V154 VanDerWaalsContact CA-O 3.28Å; A141-V154 WeakPolarHBondContact CA-O 3.46Å; Y142-V154 HydrophobicContact CD1-CB 3.93Å; Y142-V154 HydrophobicContact CD1-CG1 4.36Å; Y142-V154 HydrophobicContact CE1-CB 3.59Å; Y142-V154 HydrophobicContact CE1-CG1 3.78Å; Y142-V154 HydrophobicContact CE1-CG2 3.9Å; Y142-V154 HydrophobicContact CE2-CB 4.47Å; Y142-V154 HydrophobicContact CE2-CG2 4.08Å; Y142-V154 PolarHBondContact N-O 3.49Å; Y142-V154 VanDerWaalsContact N-O 3.1Å; Y142-V154 PolarHBondContact O-N 3.41Å; V154-V233 WeakPolarHBondContact CA-O 3.44Å; V154-V233 HydrophobicContact CG2-CB 4.3Å
155L98.7Very high97Very high2 Ų220.6 Ų20.61%0.0112%0.116CC..  trans-105.4152.9-179.4-59.8-176.8000111.7V153 F208 W215 L216 I232 V233 L255 F268V153-L155 HydrophobicContact CG1-CD2 3.91Å; L155-F208 HydrophobicContact CB-CD1 4.35Å; L155-F208 HydrophobicContact CB-CE1 3.87Å; L155-F208 HydrophobicContact CD1-CD1 4.47Å; L155-F208 HydrophobicContact CD1-CE1 4.09Å; L155-W215 HydrophobicContact CD2-CZ3 3.96Å; L155-L216 HydrophobicContact CD1-CD2 4.23Å; L155-L216 HydrophobicContact CD2-CD1 4.38Å; L155-L216 HydrophobicContact CD2-CD2 4.4Å; L155-I232 HydrophobicContact CD1-CG2 3.53Å; L155-I232 HydrophobicContact CG-CG2 3.87Å; L155-V233 PolarHBondContact N-O 2.99Å; L155-L255 HydrophobicContact CD1-CD1 4.27Å; L155-L255 HydrophobicContact CD1-CD2 3.74Å; L155-F268 HydrophobicContact CD1-CE2 4.44Å
156D98.5Very high96.8Very high1 Ų125.2 Ų25.21%0.00513%0.134CC..  trans-99.393.5174.8-172-11.2000109.4R113 I139 Y140 Y158 D159 Q212R113-D156 IonicContact CZ-OD2 3.68Å; R113-D156 IonicContact NH1-OD2 2.89Å; R113-D156 PolarHBondContact NH1-OD2 3.35Å; R113-D156 VanDerWaalsContact NH2-CG 3.32Å; R113-D156 IonicContact NH2-OD1 3.52Å; R113-D156 PolarHBondContact NH2-OD1 3.33Å; R113-D156 IonicContact NH2-OD2 2.74Å; R113-D156 PolarHBondContact NH2-OD2 3.46Å; I139-D156 HydrophobicContact CG2-CB 3.96Å; Y140-D156 PolarHBondContact N-OD2 3.1Å; D156-Y158 PolarHBondContact O-N 2.76Å; D156-Y158 VanDerWaalsContact OD1-C 3.29Å; D156-Y158 PolarHBondContact OD1-N 2.85Å; D156-Y158 VanDerWaalsContact OD1-N 3.16Å; D156-D159 HydrophobicContact CB-CB 4.2Å; D156-D159 VanDerWaalsContact O-CB 3.24Å; D156-D159 WeakPolarHBondContact O-CB 3.36Å; D156-D159 PolarHBondContact O-N 3.27Å; D156-D159 PolarHBondContact OD1-N 3.32Å; D156-Q212 PolarHBondContact O-NE2 2.95Å
157A98.5Very high96.8Very high0 Ų031.5 Ų31.50%016%0.163CC..THydrogen-bonded Turntrans-70.8-7.6179.800000113.7G206 G207 F208 L236A157-G206 CarbonylContact O-C 3.51Å; A157-G206 WeakPolarHBondContact O-CA 3.5Å; A157-G207 PolarHBondContact O-N 2.7Å; A157-G207 VanDerWaalsContact O-N 3.14Å; A157-F208 HydrophobicContact CB-CE1 4Å; A157-F208 HydrophobicContact CB-CZ 4.11Å; A157-L236 HydrophobicContact CB-CB 3.84Å; A157-L236 HydrophobicContact CB-CD1 3.9Å; A157-L236 HydrophobicContact CB-CG 3.72Å
158Y98.3Very high96.7Very high0 Ų035.7 Ų35.70%019%0.191CC..THydrogen-bonded Turntrans-11424.3176.7-63.6-88.3000111.1G104 N105 F108 R113 D156 L163 F204 H235 L236G104-Y158 VanDerWaalsContact C-CE2 3.48Å; N105-Y158 HydrophobicContact CB-CE1 3.69Å; N105-Y158 HydrophobicContact CB-CE2 4.47Å; N105-Y158 VanDerWaalsContact CB-OH 3.27Å; N105-Y158 WeakPolarHBondContact CB-OH 3.37Å; N105-Y158 VanDerWaalsContact N-CZ 3.31Å; N105-Y158 PolarHBondContact N-OH 2.82Å; N105-Y158 PolarHBondContact OD1-OH 2.74Å; N105-Y158 VanDerWaalsContact OD1-OH 3.08Å; F108-Y158 HydrophobicContact CD2-CD1 4.26Å; F108-Y158 HydrophobicContact CD2-CD2 4.07Å; F108-Y158 AromaticContact CD2-CG 3.75Å; F108-Y158 HydrophobicContact CD2-CG 3.75Å; F108-Y158 AromaticContact CE2-CD2 3.76Å; F108-Y158 HydrophobicContact CE2-CD2 3.76Å; F108-Y158 AromaticContact CE2-CG 3.62Å; F108-Y158 HydrophobicContact CE2-CG 3.62Å; R113-Y158 PolarHBondContact NH2-O 2.99Å; D156-Y158 PolarHBondContact O-N 2.76Å; D156-Y158 VanDerWaalsContact OD1-C 3.29Å; D156-Y158 PolarHBondContact OD1-N 2.85Å; D156-Y158 VanDerWaalsContact OD1-N 3.16Å; Y158-L163 HydrophobicContact CD1-CB 4.39Å; Y158-L163 HydrophobicContact CD1-CD1 4.34Å; Y158-L163 HydrophobicContact CE1-CD1 4.08Å; Y158-F204 WeakPolarHBondContact CE1-O 3.41Å; Y158-F204 PolarHBondContact OH-O 2.96Å; Y158-H235 HydrophobicContact CE2-CB 4.34Å; Y158-H235 AromaticContact CE2-CD2 3.75Å; Y158-H235 PolarHBondContact OH-CD2 3.22Å; Y158-L236 HydrophobicContact CE2-CG 4.34Å; Y158-L236 WeakPolarHBondContact OH-CD2 3.49Å
159D96.8Very high96.6Very high0 Ų031.5 Ų31.50%016%0.164CC..SBendtrans-63.2-48.9172.417714.9000110.5D156 R165 K171 S209 Q212D156-D159 HydrophobicContact CB-CB 4.2Å; D156-D159 VanDerWaalsContact O-CB 3.24Å; D156-D159 WeakPolarHBondContact O-CB 3.36Å; D156-D159 PolarHBondContact O-N 3.27Å; D156-D159 PolarHBondContact OD1-N 3.32Å; D159-R165 VanDerWaalsContact O-CZ 3.26Å; D159-R165 PolarHBondContact O-NE 3Å; D159-R165 PolarHBondContact O-NH2 3.27Å; D159-R165 IonicContact OD1-NH2 3.48Å; D159-R165 PolarHBondContact OD1-NH2 2.86Å; D159-K171 IonicContact OD1-NZ 2.69Å; D159-K171 PolarHBondContact OD1-NZ 3.37Å; D159-S209 WeakPolarHBondContact OD2-CB 3.07Å; D159-S209 PolarHBondContact OD2-N 2.81Å; D159-S209 PolarHBondContact OD2-OG 3.34Å; D159-Q212 WeakPolarHBondContact OD2-CB 3.49Å; D159-Q212 PolarHBondContact OD2-NE2 2.66Å
160V96.8Very high96.4Very high10 Ų1031 Ų316%0.06117%0.167CC..BIsolated β-bridgetrans-104.998.3168.7-177.20000108.2A175 I178 G206 G207 W250V160-A175 HydrophobicContact CG1-CB 3.95Å; V160-I178 HydrophobicContact CG1-CD1 3.95Å; V160-G206 CarbonylContact O-C 3.2Å; V160-G206 VanDerWaalsContact O-CA 3.25Å; V160-G206 WeakPolarHBondContact O-CA 3.32Å; V160-G207 PolarHBondContact N-O 3.1Å; V160-G207 PolarHBondContact O-N 2.89Å; V160-W250 HydrophobicContact CG1-CE3 4.46Å; V160-W250 HydrophobicContact CG1-CZ3 4.27Å
161S97.8Very high96.1Very high0 Ų031.7 Ų31.70%017%0.171CC..SBendtrans-160.8158.9-175.1130.60000111.3L163 R165 A175S161-L163 VanDerWaalsContact C-N 3.3Å; S161-L163 WeakPolarHBondContact OG-CA 3.4Å; S161-L163 WeakPolarHBondContact OG-CB 3.44Å; S161-L163 PolarHBondContact OG-N 3.34Å; S161-L163 PolarHBondContact OG-O 3.17Å; S161-R165 WeakPolarHBondContact O-CG 3.28Å; S161-A175 VanDerWaalsContact C-CB 3.48Å; S161-A175 WeakPolarHBondContact O-CB 3.33Å
162L97.6Very high96Very high14 Ų1432.6 Ų32.67%0.07317%0.174CC..SBendtrans-76.5-20.8169.4-81.965000112Y172 A175 I176 L179 L188 K203 W250L162-Y172 HydrophobicContact CB-CE2 4.02Å; L162-Y172 HydrophobicContact CG-CE2 4.05Å; L162-Y172 WeakPolarHBondContact O-CE2 3.32Å; L162-A175 HydrophobicContact CD1-CB 3.98Å; L162-I176 HydrophobicContact CD1-CB 4.44Å; L162-I176 HydrophobicContact CD1-CD1 4.34Å; L162-I176 HydrophobicContact CD2-CD1 3.71Å; L162-I176 HydrophobicContact CG-CD1 4.2Å; L162-L179 HydrophobicContact CD1-CB 4.21Å; L162-L179 HydrophobicContact CD1-CD2 3.66Å; L162-L179 HydrophobicContact CD2-CD2 3.71Å; L162-L179 HydrophobicContact CG-CD2 4.34Å; L162-L188 HydrophobicContact CD2-CD1 3.97Å; L162-K203 HydrophobicContact CB-CG 4.44Å; L162-K203 HydrophobicContact CD2-CD 4.33Å; L162-K203 HydrophobicContact CD2-CG 4.19Å; L162-W250 HydrophobicContact CD1-CH2 3.8Å
163L96.9Very high95.9Very high15 Ų1537.5 Ų37.58%0.07920%0.197CC..SBendtrans-88.4144.6176.7-50.5180000110.3N105 F108 Y109 Y158 S161 R165 K203N105-L163 HydrophobicContact CB-CD1 3.58Å; F108-L163 HydrophobicContact CB-CB 3.79Å; F108-L163 HydrophobicContact CG-CB 4.44Å; Y109-L163 HydrophobicContact CD1-CD1 4.16Å; Y109-L163 HydrophobicContact CD1-CD2 4.12Å; Y109-L163 HydrophobicContact CE1-CD1 3.41Å; Y109-L163 VanDerWaalsContact CE1-CD1 3.41Å; Y109-L163 HydrophobicContact CE1-CD2 3.67Å; Y109-L163 HydrophobicContact CE1-CG 4.19Å; Y158-L163 HydrophobicContact CD1-CB 4.39Å; Y158-L163 HydrophobicContact CD1-CD1 4.34Å; Y158-L163 HydrophobicContact CE1-CD1 4.08Å; S161-L163 VanDerWaalsContact C-N 3.3Å; S161-L163 WeakPolarHBondContact OG-CA 3.4Å; S161-L163 WeakPolarHBondContact OG-CB 3.44Å; S161-L163 PolarHBondContact OG-N 3.34Å; S161-L163 PolarHBondContact OG-O 3.17Å; L163-R165 PolarHBondContact O-N 3.18Å; L163-K203 HydrophobicContact CD2-CG 4.45Å
164G92.4Very high95.8Very high19 Ų1942.6 Ų42.620%0.19622%0.221CC..SBendtrans68.113.5175.900000115.1R113R113-G164 PolarHBondContact NE-O 2.72Å
165R94.4Very high95.8Very high24 Ų2442.6 Ų42.69%0.09122%0.221CC..SBendtrans-127.9136.6178.1-62.4-61.7-175.2-160.8-2.6110.1E138 D159 S161 L163 K171 Y172E138-R165 PolarHBondContact O-NH1 3.46Å; E138-R165 PolarHBondContact O-NH2 3.23Å; D159-R165 VanDerWaalsContact O-CZ 3.26Å; D159-R165 PolarHBondContact O-NE 3Å; D159-R165 PolarHBondContact O-NH2 3.27Å; D159-R165 IonicContact OD1-NH2 3.48Å; D159-R165 PolarHBondContact OD1-NH2 2.86Å; S161-R165 WeakPolarHBondContact O-CG 3.28Å; L163-R165 PolarHBondContact O-N 3.18Å; R165-K171 HydrophobicContact CG-CB 4.47Å; R165-Y172 HydrophobicContact CB-CD2 4.17Å
166E93Very high95.7Very high133 Ų13344.8 Ų44.862%0.62123%0.232SC*.  trans-68.2137.7172.9-66.2-62.8153.300110.1S168 S169 Y172E166-S168 PolarHBondContact O-N 3.28Å; E166-S168 VanDerWaalsContact O-N 3.1Å; E166-S169 VanDerWaalsContact O-CB 3.27Å; E166-S169 WeakPolarHBondContact O-CB 3.31Å; E166-S169 PolarHBondContact O-N 2.97Å; E166-S169 PolarHBondContact O-OG 2.79Å; E166-Y172 WeakPolarHBondContact O-CB 3.31Å
167E93.8Very high95.7Very high144 Ų14447.7 Ų47.767%0.67326%0.256SS*.THydrogen-bonded Turntrans-59.8-27.9-175.8-63.8-169.3177.700113.4S169 Y172E167-S169 VanDerWaalsContact C-N 3.3Å; E167-Y172 HydrophobicContact CB-CD1 4.16Å; E167-Y172 HydrophobicContact CB-CE1 4.01Å; E167-Y172 HydrophobicContact CG-CE1 3.99Å; E167-Y172 HydrophobicContact CG-CE2 4.11Å; E167-Y172 WeakPolarHBondContact O-CD1 3.18Å
168S93.6Very high95.7Very high104 Ų10451 Ų5173%0.72727%0.273SS*.THydrogen-bonded Turntrans-78.4-11.1177.658.50000113.9E166E166-S168 PolarHBondContact O-N 3.28Å; E166-S168 VanDerWaalsContact O-N 3.1Å
169S93.1Very high95.7Very high29 Ų2951 Ų5120%0.20327%0.273CS..SBendtrans-76.8149.2-176.271.80000112.5E166 E167 K171 Y172 Q173E166-S169 VanDerWaalsContact O-CB 3.27Å; E166-S169 WeakPolarHBondContact O-CB 3.31Å; E166-S169 PolarHBondContact O-N 2.97Å; E166-S169 PolarHBondContact O-OG 2.79Å; E167-S169 VanDerWaalsContact C-N 3.3Å; S169-K171 VanDerWaalsContact C-N 3.26Å; S169-K171 PolarHBondContact O-N 3.48Å; S169-Y172 PolarHBondContact O-N 2.77Å; S169-Y172 WeakPolarHBondContact OG-CB 3.48Å; S169-Y172 PolarHBondContact OG-N 2.81Å; S169-Y172 VanDerWaalsContact OG-N 3.13Å; S169-Q173 WeakPolarHBondContact O-CG 3.34Å; S169-Q173 PolarHBondContact O-N 2.79Å
170L92.1Very high95.7Very high128 Ų12855.5 Ų55.567%0.6729%0.293SS*.Hα-helixtrans-59.3-38.1174.7-68.2175.5000111.8Q173 Q174L170-Q173 PolarHBondContact O-N 3.29Å; L170-Q174 WeakPolarHBondContact O-CB 3.45Å; L170-Q174 VanDerWaalsContact O-CG 3.28Å; L170-Q174 WeakPolarHBondContact O-CG 3.45Å; L170-Q174 PolarHBondContact O-N 3.44Å
171K91.8Very high95.8Very high22 Ų2258.8 Ų58.810%0.09632%0.321CS..Hα-helixtrans-64.7-40.2177.8-71-167.8174.6-166.60112.4I139 D159 R165 S169 Q174 A175I139-K171 VanDerWaalsContact CG1-NZ 3.25Å; D159-K171 IonicContact OD1-NZ 2.69Å; D159-K171 PolarHBondContact OD1-NZ 3.37Å; R165-K171 HydrophobicContact CG-CB 4.47Å; S169-K171 VanDerWaalsContact C-N 3.26Å; S169-K171 PolarHBondContact O-N 3.48Å; K171-Q174 PolarHBondContact O-N 2.95Å; K171-A175 VanDerWaalsContact O-CB 3.3Å; K171-A175 WeakPolarHBondContact O-CB 3.43Å; K171-A175 PolarHBondContact O-N 3.27Å
172Y96Very high95.8Very high38 Ų3862.4 Ų62.415%0.14934%0.338CS..Hα-helixtrans-64.3-44.6173.6-175.4-88.1000111.3L162 R165 E166 E167 S169 Q174 A175 I176L162-Y172 HydrophobicContact CB-CE2 4.02Å; L162-Y172 HydrophobicContact CG-CE2 4.05Å; L162-Y172 WeakPolarHBondContact O-CE2 3.32Å; R165-Y172 HydrophobicContact CB-CD2 4.17Å; E166-Y172 WeakPolarHBondContact O-CB 3.31Å; E167-Y172 HydrophobicContact CB-CD1 4.16Å; E167-Y172 HydrophobicContact CB-CE1 4.01Å; E167-Y172 HydrophobicContact CG-CE1 3.99Å; E167-Y172 HydrophobicContact CG-CE2 4.11Å; E167-Y172 WeakPolarHBondContact O-CD1 3.18Å; S169-Y172 PolarHBondContact O-N 2.77Å; S169-Y172 WeakPolarHBondContact OG-CB 3.48Å; S169-Y172 PolarHBondContact OG-N 2.81Å; S169-Y172 VanDerWaalsContact OG-N 3.13Å; Y172-Q174 VanDerWaalsContact C-N 3.32Å; Y172-Q174 PolarHBondContact O-N 3.12Å; Y172-A175 PolarHBondContact O-N 2.81Å; Y172-I176 HydrophobicContact CD1-CG2 4.48Å; Y172-I176 HydrophobicContact CE1-CB 4.39Å; Y172-I176 HydrophobicContact CE1-CG2 4.46Å; Y172-I176 WeakPolarHBondContact O-CG2 3.42Å; Y172-I176 PolarHBondContact O-N 2.76Å
173Q96.8Very high95.8Very high104 Ų10461.7 Ų61.749%0.48633%0.334SS..Hα-helixtrans-61.4-39.3178.1-69.7178.4-2.500112.5S169 L170 I176 A177S169-Q173 WeakPolarHBondContact O-CG 3.34Å; S169-Q173 PolarHBondContact O-N 2.79Å; L170-Q173 PolarHBondContact O-N 3.29Å; Q173-I176 VanDerWaalsContact O-CG2 3.29Å; Q173-I176 WeakPolarHBondContact O-CG2 3.27Å; Q173-A177 WeakPolarHBondContact O-CB 3.27Å; Q173-A177 PolarHBondContact O-N 2.85Å; Q173-A177 VanDerWaalsContact O-N 3.14Å
174Q96.2Very high95.8Very high107 Ų10767.4 Ų67.450%0.537%0.365SS..Hα-helixtrans-64.7-47.1172.4-72.9168.9-18.100111.3L170 K171 Y172 A177 I178L170-Q174 WeakPolarHBondContact O-CB 3.45Å; L170-Q174 VanDerWaalsContact O-CG 3.28Å; L170-Q174 WeakPolarHBondContact O-CG 3.45Å; L170-Q174 PolarHBondContact O-N 3.44Å; K171-Q174 PolarHBondContact O-N 2.95Å; Y172-Q174 VanDerWaalsContact C-N 3.32Å; Y172-Q174 PolarHBondContact O-N 3.12Å; Q174-A177 PolarHBondContact O-N 3.33Å; Q174-I178 WeakPolarHBondContact O-CG1 3.44Å; Q174-I178 PolarHBondContact O-N 2.81Å
175A97.8Very high96Very high0 Ų069 Ų690%037%0.369CS..Hα-helixtrans-63-44.1-178.800000112.5V160 S161 L162 K171 Y172 A177 I178 L179 W250V160-A175 HydrophobicContact CG1-CB 3.95Å; S161-A175 VanDerWaalsContact C-CB 3.48Å; S161-A175 WeakPolarHBondContact O-CB 3.33Å; L162-A175 HydrophobicContact CD1-CB 3.98Å; K171-A175 VanDerWaalsContact O-CB 3.3Å; K171-A175 WeakPolarHBondContact O-CB 3.43Å; K171-A175 PolarHBondContact O-N 3.27Å; Y172-A175 PolarHBondContact O-N 2.81Å; A175-A177 VanDerWaalsContact C-N 3.34Å; A175-A177 PolarHBondContact O-N 3.33Å; A175-I178 PolarHBondContact O-N 3.06Å; A175-L179 WeakPolarHBondContact O-CB 3.48Å; A175-L179 PolarHBondContact O-N 3.23Å; A175-W250 HydrophobicContact CB-CH2 4.27Å; A175-W250 HydrophobicContact CB-CZ3 3.93Å
176I97.9Very high96Very high48 Ų4877.4 Ų77.425%0.24641%0.409CS..Hα-helixtrans-66.6-36.3176.7-168.766.9000111.6L162 Y172 Q173 L179 K180 L188L162-I176 HydrophobicContact CD1-CB 4.44Å; L162-I176 HydrophobicContact CD1-CD1 4.34Å; L162-I176 HydrophobicContact CD2-CD1 3.71Å; L162-I176 HydrophobicContact CG-CD1 4.2Å; Y172-I176 HydrophobicContact CD1-CG2 4.48Å; Y172-I176 HydrophobicContact CE1-CB 4.39Å; Y172-I176 HydrophobicContact CE1-CG2 4.46Å; Y172-I176 WeakPolarHBondContact O-CG2 3.42Å; Y172-I176 PolarHBondContact O-N 2.76Å; Q173-I176 VanDerWaalsContact O-CG2 3.29Å; Q173-I176 WeakPolarHBondContact O-CG2 3.27Å; I176-L179 PolarHBondContact O-N 3.33Å; I176-K180 HydrophobicContact CD1-CG 4.03Å; I176-K180 HydrophobicContact CG1-CG 4.19Å; I176-K180 VanDerWaalsContact O-CB 3.26Å; I176-K180 WeakPolarHBondContact O-CB 3.21Å; I176-K180 WeakPolarHBondContact O-CG 3.3Å; I176-K180 PolarHBondContact O-N 2.86Å; I176-L188 HydrophobicContact CD1-CD1 4.12Å
177A97.9Very high96.2Very high62 Ų6273.8 Ų73.851%0.51239%0.394SS..Hα-helixtrans-64.5-45.1176.100000111.7Q173 Q174 A175 A181Q173-A177 WeakPolarHBondContact O-CB 3.27Å; Q173-A177 PolarHBondContact O-N 2.85Å; Q173-A177 VanDerWaalsContact O-N 3.14Å; Q174-A177 PolarHBondContact O-N 3.33Å; A175-A177 VanDerWaalsContact C-N 3.34Å; A175-A177 PolarHBondContact O-N 3.33Å; A177-A181 WeakPolarHBondContact O-CB 3.22Å; A177-A181 PolarHBondContact O-N 3.21Å
178I98.1Very high96.3Very high69 Ų6967.9 Ų67.935%0.35437%0.367SS..Hα-helixtrans-60-54.5174.2-67.6164.6000109.7V160 Q174 A175 K180 A181 H182 F201 W250V160-I178 HydrophobicContact CG1-CD1 3.95Å; Q174-I178 WeakPolarHBondContact O-CG1 3.44Å; Q174-I178 PolarHBondContact O-N 2.81Å; A175-I178 PolarHBondContact O-N 3.06Å; I178-K180 PolarHBondContact O-N 3.27Å; I178-A181 WeakPolarHBondContact O-CB 3.44Å; I178-A181 PolarHBondContact O-N 3.11Å; I178-A181 VanDerWaalsContact O-N 3.14Å; I178-H182 PolarHBondContact O-CD2 3.19Å; I178-F201 HydrophobicContact CG2-CD1 4.48Å; I178-F201 HydrophobicContact CG2-CE1 4.01Å; I178-W250 HydrophobicContact CG2-CE3 4.05Å
179L98.3Very high96.4Very high0 Ų065.3 Ų65.30%035%0.345CS..Hα-helixtrans-60.9-43.6-175.7-176.858.1000112L162 A175 I176 A181 H182 N183 L188 F201 K203 W250L162-L179 HydrophobicContact CD1-CB 4.21Å; L162-L179 HydrophobicContact CD1-CD2 3.66Å; L162-L179 HydrophobicContact CD2-CD2 3.71Å; L162-L179 HydrophobicContact CG-CD2 4.34Å; A175-L179 WeakPolarHBondContact O-CB 3.48Å; A175-L179 PolarHBondContact O-N 3.23Å; I176-L179 PolarHBondContact O-N 3.33Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 3.14Å; L179-H182 PolarHBondContact O-N 3.31Å; L179-N183 HydrophobicContact CD1-CB 4.09Å; L179-N183 WeakPolarHBondContact O-CB 3.29Å; L179-N183 PolarHBondContact O-N 2.65Å; L179-L188 HydrophobicContact CD2-CB 4.19Å; L179-L188 HydrophobicContact CD2-CD1 3.9Å; L179-L188 HydrophobicContact CD2-CD2 4.39Å; L179-L188 HydrophobicContact CD2-CG 4.4Å; L179-L188 HydrophobicContact CG-CD2 4.3Å; L179-F201 HydrophobicContact CD1-CB 4.08Å; L179-F201 WeakPolarHBondContact CD1-O 3.36Å; L179-K203 HydrophobicContact CD2-CB 4.38Å; L179-W250 HydrophobicContact CB-CH2 4.06Å; L179-W250 HydrophobicContact CB-CZ2 4.21Å; L179-W250 HydrophobicContact CD1-CZ2 4.03Å; L179-W250 HydrophobicContact CD2-CH2 4.34Å; L179-W250 HydrophobicContact CD2-CZ2 4.09Å; L179-W250 HydrophobicContact CG-CZ2 4.35Å
180K97.8Very high96.5Very high96 Ų9667.6 Ų67.642%0.41735%0.352SS..Hα-helixtrans-72.7-18.8178.8-77.4-72.3178.4-1660114.1I176 I178 N185 L188I176-K180 HydrophobicContact CD1-CG 4.03Å; I176-K180 HydrophobicContact CG1-CG 4.19Å; I176-K180 VanDerWaalsContact O-CB 3.26Å; I176-K180 WeakPolarHBondContact O-CB 3.21Å; I176-K180 WeakPolarHBondContact O-CG 3.3Å; I176-K180 PolarHBondContact O-N 2.86Å; I178-K180 PolarHBondContact O-N 3.27Å; K180-N185 PolarHBondContact NZ-O 3.37Å; K180-L188 HydrophobicContact CD-CD2 4.33Å
181A98.1Very high96.7Very high78 Ų7862.9 Ų62.965%0.64533%0.329SS*.Hα-helixtrans-69.8-25.3171.300000112.4A177 I178 L179A177-A181 WeakPolarHBondContact O-CB 3.22Å; A177-A181 PolarHBondContact O-N 3.21Å; I178-A181 WeakPolarHBondContact O-CB 3.44Å; I178-A181 PolarHBondContact O-N 3.11Å; I178-A181 VanDerWaalsContact O-N 3.14Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 3.14Å
182H98.3Very high97Very high76 Ų7663.8 Ų63.835%0.35234%0.338SS..Hα-helixtrans-109.8-27.2-178.3-69.1-88.9000113.7I178 L179 P192 E198 F201I178-H182 PolarHBondContact O-CD2 3.19Å; L179-H182 PolarHBondContact O-N 3.31Å; H182-P192 WeakPolarHBondContact O-CB 3.3Å; H182-P192 WeakPolarHBondContact O-CG 3.32Å; H182-E198 IonicContact CE1-OE2 3.67Å; H182-E198 IonicContact CG-OE2 3.71Å; H182-E198 IonicContact ND1-OE2 2.76Å; H182-E198 PolarHBondContact ND1-OE2 3.35Å; H182-F201 HydrophobicContact CB-CB 3.68Å; H182-F201 HydrophobicContact CB-CD1 4.03Å; H182-F201 HydrophobicContact CB-CD2 3.47Å; H182-F201 VanDerWaalsContact CB-CD2 3.47Å; H182-F201 HydrophobicContact CB-CE2 4.01Å; H182-F201 HydrophobicContact CB-CG 3.46Å; H182-F201 VanDerWaalsContact CB-CG 3.46Å; H182-F201 AromaticContact CD2-CE1 3.7Å; H182-F201 AromaticContact CD2-CE2 3.79Å; H182-F201 AromaticContact CD2-CZ 3.58Å; H182-F201 AromaticContact CE1-CE2 3.48Å; H182-F201 VanDerWaalsContact CE1-CE2 3.48Å; H182-F201 WeakPolarHBondContact CE1-CE2 3.28Å; H182-F201 AromaticContact CE1-CZ 3.63Å; H182-F201 AromaticContact CG-CD2 3.44Å; H182-F201 VanDerWaalsContact CG-CD2 3.44Å; H182-F201 AromaticContact CG-CE2 3.42Å; H182-F201 VanDerWaalsContact CG-CE2 3.42Å; H182-F201 AromaticContact CG-CG 3.74Å; H182-F201 AromaticContact CG-CZ 3.73Å; H182-F201 AromaticContact ND1-CD2 3.55Å; H182-F201 AromaticContact ND1-CE2 3.21Å; H182-F201 WeakPolarHBondContact ND1-CE2 3.45Å; H182-F201 AromaticContact ND1-CZ 3.75Å; H182-F201 AromaticContact NE2-CE2 3.85Å; H182-F201 AromaticContact NE2-CZ 3.54Å
183N98.3Very high96.9Very high0 Ų063.2 Ų63.20%034%0.341CS..  trans-130.3103.1-172.6-169-11.3000112.3L179 N185 L188 H190 P192 F201L179-N183 HydrophobicContact CD1-CB 4.09Å; L179-N183 WeakPolarHBondContact O-CB 3.29Å; L179-N183 PolarHBondContact O-N 2.65Å; N183-N185 WeakPolarHBondContact OD1-CB 3.18Å; N183-N185 PolarHBondContact OD1-N 2.82Å; N183-N185 VanDerWaalsContact OD1-N 3.12Å; N183-N185 PolarHBondContact OD1-ND2 2.69Å; N183-L188 HydrophobicContact CB-CD2 4.24Å; N183-L188 WeakPolarHBondContact O-CD2 3.42Å; N183-H190 PolarHBondContact ND2-O 2.63Å; N183-P192 HydrophobicContact CB-CB 4.06Å; N183-P192 HydrophobicContact CB-CG 4.23Å; N183-F201 WeakPolarHBondContact CB-O 3.37Å; N183-F201 PolarHBondContact ND2-O 3.39Å
184D96.4Very high96.7Very high135 Ų13563.9 Ų63.972%0.72235%0.354SS*.  trans-90.70.6179.966.1-17.7000113.7
185N97Very high96.6Very high52 Ų5264 Ų6428%0.27836%0.362SS..  trans-58.9151.3177-68.4-57.4000112.3K180 N183 D187 H190 P191K180-N185 PolarHBondContact NZ-O 3.37Å; N183-N185 WeakPolarHBondContact OD1-CB 3.18Å; N183-N185 PolarHBondContact OD1-N 2.82Å; N183-N185 VanDerWaalsContact OD1-N 3.12Å; N183-N185 PolarHBondContact OD1-ND2 2.69Å; N185-D187 WeakPolarHBondContact CB-O 3.29Å; N185-H190 PolarHBondContact ND2-O 2.84Å; N185-P191 PolarHBondContact ND2-O 3.1Å
186E94.8Very high96.6Very high201 Ų20165.8 Ų65.894%0.93938%0.38SS*.SBendtrans-67.1-50.4170.1-67.5-174.2172.500110.9L188E186-L188 PolarHBondContact O-N 2.83Å
187D95.7Very high96.6Very high57 Ų5766.5 Ų66.531%0.30538%0.383SS..SBendtrans-87.6102.2168.6-173.7-2.8000109.8N185 N189 H190N185-D187 WeakPolarHBondContact CB-O 3.29Å; D187-N189 PolarHBondContact O-N 3.1Å; D187-N189 VanDerWaalsContact O-N 3.11Å; D187-N189 WeakPolarHBondContact OD1-CB 3.27Å; D187-N189 PolarHBondContact OD1-N 2.81Å; D187-N189 PolarHBondContact OD1-ND2 2.86Å; D187-H190 WeakPolarHBondContact O-CB 3.22Å; D187-H190 PolarHBondContact O-N 3.43Å
188L96.6Very high96.5Very high19 Ų1966.9 Ų66.910%0.09937%0.374CS..THydrogen-bonded Turntrans-67.5-5.1179.8-68.2174.2000113.9L162 I176 L179 K180 N183 E186 H190 V202 K203L162-L188 HydrophobicContact CD2-CD1 3.97Å; I176-L188 HydrophobicContact CD1-CD1 4.12Å; L179-L188 HydrophobicContact CD2-CB 4.19Å; L179-L188 HydrophobicContact CD2-CD1 3.9Å; L179-L188 HydrophobicContact CD2-CD2 4.39Å; L179-L188 HydrophobicContact CD2-CG 4.4Å; L179-L188 HydrophobicContact CG-CD2 4.3Å; K180-L188 HydrophobicContact CD-CD2 4.33Å; N183-L188 HydrophobicContact CB-CD2 4.24Å; N183-L188 WeakPolarHBondContact O-CD2 3.42Å; E186-L188 PolarHBondContact O-N 2.83Å; L188-H190 VanDerWaalsContact C-N 3.3Å; L188-V202 CarbonylContact O-C 3.54Å; L188-V202 VanDerWaalsContact O-CA 3.28Å; L188-V202 WeakPolarHBondContact O-CA 3.48Å; L188-K203 HydrophobicContact CB-CB 3.81Å; L188-K203 PolarHBondContact O-N 3.5Å
189N95.8Very high96.6Very high50 Ų5064.5 Ų64.527%0.26736%0.362SS..THydrogen-bonded Turntrans-79.1-15.7167.8-59.3-69.7000112.3D187 F204D187-N189 PolarHBondContact O-N 3.1Å; D187-N189 VanDerWaalsContact O-N 3.11Å; D187-N189 WeakPolarHBondContact OD1-CB 3.27Å; D187-N189 PolarHBondContact OD1-N 2.81Å; D187-N189 PolarHBondContact OD1-ND2 2.86Å; N189-F204 HydrophobicContact CB-CD1 4.06Å; N189-F204 HydrophobicContact CB-CE1 4.32Å; N189-F204 WeakPolarHBondContact O-CE1 3.44Å
190H95.7Very high96.6Very high77 Ų7765.5 Ų65.536%0.35637%0.365SS..SBendtrans-77.8131.8170.8-68.8153.9000110.1F32 N183 N185 D187 L188F32-H190 AromaticContact CE1-CD2 3.54Å; F32-H190 AromaticContact CE1-NE2 3.18Å; F32-H190 WeakPolarHBondContact CE1-NE2 3.46Å; F32-H190 AromaticContact CZ-CD2 3.85Å; F32-H190 AromaticContact CZ-NE2 3.2Å; F32-H190 WeakPolarHBondContact CZ-NE2 3.45Å; N183-H190 PolarHBondContact ND2-O 2.63Å; N185-H190 PolarHBondContact ND2-O 2.84Å; D187-H190 WeakPolarHBondContact O-CB 3.22Å; D187-H190 PolarHBondContact O-N 3.43Å; L188-H190 VanDerWaalsContact C-N 3.3Å
191P96.3Very high96.6Very high30 Ų3061.3 Ų61.320%0.19535%0.347CS..  trans-66.4146177.628.7-34.7000110.6N185 A193 Q199 V202 I246N185-P191 PolarHBondContact ND2-O 3.1Å; P191-A193 PolarHBondContact O-N 3.34Å; P191-Q199 HydrophobicContact CB-CB 4.11Å; P191-Q199 HydrophobicContact CB-CG 4.11Å; P191-V202 HydrophobicContact CB-CG1 4.06Å; P191-I246 HydrophobicContact CB-CD1 4.2Å; P191-I246 HydrophobicContact CB-CG1 4.44Å; P191-I246 HydrophobicContact CG-CD1 4.02Å
192P96.8Very high96.6Very high41 Ų4157.6 Ų57.627%0.26632%0.316SS..SBendtrans-72-19.1-179.429.6-36.1000113.6H182 N183 E198 F201H182-P192 WeakPolarHBondContact O-CB 3.3Å; H182-P192 WeakPolarHBondContact O-CG 3.32Å; N183-P192 HydrophobicContact CB-CB 4.06Å; N183-P192 HydrophobicContact CB-CG 4.23Å; P192-E198 VanDerWaalsContact CD-O 3.31Å; P192-E198 WeakPolarHBondContact CD-O 3.5Å; P192-E198 HydrophobicContact CG-CB 4.3Å; P192-E198 WeakPolarHBondContact CG-O 3.34Å; P192-F201 HydrophobicContact CG-CB 4.35Å
193A95.1Very high96.6Very high26 Ų2657.7 Ų57.722%0.21532%0.316CS..SBendtrans-131.4149.6177.900000110.2P191 V195 E198 Q199P191-A193 PolarHBondContact O-N 3.34Å; A193-V195 VanDerWaalsContact C-N 3.31Å; A193-E198 HydrophobicContact CB-CB 4.1Å; A193-Q199 WeakPolarHBondContact O-CG 3.14Å
194P92Very high96.6Very high117 Ų11759.6 Ų59.676%0.7632%0.324SS*.SBendtrans-77.3-17.5178.430.8-35.3000113.5Q199P194-Q199 PolarHBondContact O-OE1 3.46Å
195V94.8Very high96.7Very high111 Ų11153.2 Ų53.267%0.67329%0.29SS*.SBendtrans-147.7162.3-177.9-64.20000110.2A193A193-V195 VanDerWaalsContact C-N 3.31Å
196G96.5Very high96.8Very high37 Ų3750.7 Ų50.738%0.38128%0.277SS..SBendtrans84.7-176.5175.700000113.7E198 Q199 P245G196-E198 VanDerWaalsContact C-N 3.3Å; G196-E198 PolarHBondContact O-N 3.28Å; G196-Q199 WeakPolarHBondContact O-CB 3.36Å; G196-Q199 WeakPolarHBondContact O-CG 3.42Å; G196-Q199 PolarHBondContact O-N 3.09Å; G196-Q199 PolarHBondContact O-NE2 2.87Å; G196-Q199 VanDerWaalsContact O-NE2 3.07Å; G196-P245 WeakPolarHBondContact O-CB 3.13Å
197M97.7Very high96.9Very high62 Ų6241.2 Ų41.231%0.30523%0.232SC..G310 helixtrans-70.5-23.8-170.4-62.7-59.3109.300113.6Q199 R200 P240 P245 L248M197-Q199 PolarHBondContact O-N 3.17Å; M197-Q199 VanDerWaalsContact O-N 3.14Å; M197-R200 WeakPolarHBondContact O-CB 3.4Å; M197-R200 WeakPolarHBondContact O-CD 3.49Å; M197-R200 WeakPolarHBondContact O-CG 3.02Å; M197-R200 PolarHBondContact O-N 3.17Å; M197-R200 PolarHBondContact O-NH1 3.15Å; M197-P240 HydrophobicContact CE-CB 4.15Å; M197-P240 HydrophobicContact SD-CB 3.82Å; M197-P240 HydrophobicContact SD-CG 3.93Å; M197-P245 HydrophobicContact CE-CB 3.71Å; M197-P245 HydrophobicContact CE-CG 3.48Å; M197-P245 VanDerWaalsContact CE-CG 3.48Å; M197-P245 HydrophobicContact SD-CB 4.33Å; M197-L248 HydrophobicContact SD-CD1 3.62Å
198E97.6Very high97Very high70 Ų7038.6 Ų38.633%0.32722%0.219SC..G310 helixtrans-64.2-18.1179.7-67.2-58.210000112.9H182 P192 A193 G196 R200 F201H182-E198 IonicContact CE1-OE2 3.67Å; H182-E198 IonicContact CG-OE2 3.71Å; H182-E198 IonicContact ND1-OE2 2.76Å; H182-E198 PolarHBondContact ND1-OE2 3.35Å; P192-E198 VanDerWaalsContact CD-O 3.31Å; P192-E198 WeakPolarHBondContact CD-O 3.5Å; P192-E198 HydrophobicContact CG-CB 4.3Å; P192-E198 WeakPolarHBondContact CG-O 3.34Å; A193-E198 HydrophobicContact CB-CB 4.1Å; G196-E198 VanDerWaalsContact C-N 3.3Å; G196-E198 PolarHBondContact O-N 3.28Å; E198-R200 PolarHBondContact O-N 2.96Å; E198-R200 IonicContact OE1-CZ 3.86Å; E198-R200 IonicContact OE1-NH1 2.93Å; E198-R200 PolarHBondContact OE1-NH1 3Å; E198-R200 IonicContact OE1-NH2 3.92Å; E198-F201 PolarHBondContact O-N 3.18Å; E198-F201 VanDerWaalsContact O-N 3.15Å; E198-F201 WeakPolarHBondContact OE1-CE2 3.45Å
199Q98.2Very high97.1Very high19 Ų1938.3 Ų38.39%0.08922%0.218CC..G310 helixtrans-51.9-30.5172.6-73.5-177.397.700113.3P191 A193 P194 G196 M197 F201 V202 P245 I246P191-Q199 HydrophobicContact CB-CB 4.11Å; P191-Q199 HydrophobicContact CB-CG 4.11Å; A193-Q199 WeakPolarHBondContact O-CG 3.14Å; P194-Q199 PolarHBondContact O-OE1 3.46Å; G196-Q199 WeakPolarHBondContact O-CB 3.36Å; G196-Q199 WeakPolarHBondContact O-CG 3.42Å; G196-Q199 PolarHBondContact O-N 3.09Å; G196-Q199 PolarHBondContact O-NE2 2.87Å; G196-Q199 VanDerWaalsContact O-NE2 3.07Å; M197-Q199 PolarHBondContact O-N 3.17Å; M197-Q199 VanDerWaalsContact O-N 3.14Å; Q199-F201 PolarHBondContact O-N 3.12Å; Q199-V202 WeakPolarHBondContact O-CG1 3.4Å; Q199-P245 HydrophobicContact CB-CB 4.42Å; Q199-I246 HydrophobicContact CB-CB 4.03Å; Q199-I246 HydrophobicContact CB-CG1 4.26Å
200R98.5Very high97.1Very high22 Ų2241.5 Ų41.58%0.08323%0.231CC..G310 helixtrans-64.6-20.4-177.680.9-167.2-178.9-77.24.1114.8M197 E198 V202 N205 P245 L248 A249 W250M197-R200 WeakPolarHBondContact O-CB 3.4Å; M197-R200 WeakPolarHBondContact O-CD 3.49Å; M197-R200 WeakPolarHBondContact O-CG 3.02Å; M197-R200 PolarHBondContact O-N 3.17Å; M197-R200 PolarHBondContact O-NH1 3.15Å; E198-R200 PolarHBondContact O-N 2.96Å; E198-R200 IonicContact OE1-CZ 3.86Å; E198-R200 IonicContact OE1-NH1 2.93Å; E198-R200 PolarHBondContact OE1-NH1 3Å; E198-R200 IonicContact OE1-NH2 3.92Å; R200-V202 PolarHBondContact O-N 3.5Å; R200-N205 PolarHBondContact O-ND2 3.32Å; R200-N205 VanDerWaalsContact O-ND2 3.11Å; R200-P245 WeakPolarHBondContact CA-O 3.24Å; R200-P245 VanDerWaalsContact CB-O 3.26Å; R200-P245 WeakPolarHBondContact CB-O 3.42Å; R200-P245 PolarHBondContact N-O 2.65Å; R200-L248 HydrophobicContact CB-CB 3.92Å; R200-L248 WeakPolarHBondContact CB-O 3.44Å; R200-A249 WeakPolarHBondContact CD-O 3.34Å; R200-W250 PolarHBondContact NE-O 3.11Å; R200-W250 PolarHBondContact NH2-O 3.41Å; R200-W250 PolarHBondContact O-NE1 3.27Å
201F98.6Very high97.1Very high7 Ų742.6 Ų42.63%0.03124%0.24CC..  trans-81.169.8-179-70.5-69.2000110.9I178 L179 H182 N183 P192 E198 Q199 W250I178-F201 HydrophobicContact CG2-CD1 4.48Å; I178-F201 HydrophobicContact CG2-CE1 4.01Å; L179-F201 HydrophobicContact CD1-CB 4.08Å; L179-F201 WeakPolarHBondContact CD1-O 3.36Å; H182-F201 HydrophobicContact CB-CB 3.68Å; H182-F201 HydrophobicContact CB-CD1 4.03Å; H182-F201 HydrophobicContact CB-CD2 3.47Å; H182-F201 VanDerWaalsContact CB-CD2 3.47Å; H182-F201 HydrophobicContact CB-CE2 4.01Å; H182-F201 HydrophobicContact CB-CG 3.46Å; H182-F201 VanDerWaalsContact CB-CG 3.46Å; H182-F201 AromaticContact CD2-CE1 3.7Å; H182-F201 AromaticContact CD2-CE2 3.79Å; H182-F201 AromaticContact CD2-CZ 3.58Å; H182-F201 AromaticContact CE1-CE2 3.48Å; H182-F201 VanDerWaalsContact CE1-CE2 3.48Å; H182-F201 WeakPolarHBondContact CE1-CE2 3.28Å; H182-F201 AromaticContact CE1-CZ 3.63Å; H182-F201 AromaticContact CG-CD2 3.44Å; H182-F201 VanDerWaalsContact CG-CD2 3.44Å; H182-F201 AromaticContact CG-CE2 3.42Å; H182-F201 VanDerWaalsContact CG-CE2 3.42Å; H182-F201 AromaticContact CG-CG 3.74Å; H182-F201 AromaticContact CG-CZ 3.73Å; H182-F201 AromaticContact ND1-CD2 3.55Å; H182-F201 AromaticContact ND1-CE2 3.21Å; H182-F201 WeakPolarHBondContact ND1-CE2 3.45Å; H182-F201 AromaticContact ND1-CZ 3.75Å; H182-F201 AromaticContact NE2-CE2 3.85Å; H182-F201 AromaticContact NE2-CZ 3.54Å; N183-F201 WeakPolarHBondContact CB-O 3.37Å; N183-F201 PolarHBondContact ND2-O 3.39Å; P192-F201 HydrophobicContact CG-CB 4.35Å; E198-F201 PolarHBondContact O-N 3.18Å; E198-F201 VanDerWaalsContact O-N 3.15Å; E198-F201 WeakPolarHBondContact OE1-CE2 3.45Å; Q199-F201 PolarHBondContact O-N 3.12Å; F201-W250 HydrophobicContact CD1-CB 4.21Å; F201-W250 AromaticContact CD1-CD1 3.88Å; F201-W250 HydrophobicContact CD1-CD2 4.39Å; F201-W250 AromaticContact CD1-CG 3.9Å; F201-W250 HydrophobicContact CD1-CG 3.9Å; F201-W250 HydrophobicContact CE1-CB 3.84Å; F201-W250 HydrophobicContact CE1-CG 4.03Å
202V98.4Very high97.1Very high0 Ų041.2 Ų41.20%023%0.231CC..SBendtrans-125.4154.7178.3-72.70000110.7L188 P191 Q199 R200 F204 N205 I246 W250L188-V202 CarbonylContact O-C 3.54Å; L188-V202 VanDerWaalsContact O-CA 3.28Å; L188-V202 WeakPolarHBondContact O-CA 3.48Å; P191-V202 HydrophobicContact CB-CG1 4.06Å; Q199-V202 WeakPolarHBondContact O-CG1 3.4Å; R200-V202 PolarHBondContact O-N 3.5Å; V202-F204 HydrophobicContact CB-CD1 4.1Å; V202-F204 HydrophobicContact CB-CE1 3.84Å; V202-F204 HydrophobicContact CB-CE2 4.46Å; V202-F204 HydrophobicContact CB-CZ 4.05Å; V202-F204 HydrophobicContact CG1-CE1 4.29Å; V202-F204 HydrophobicContact CG1-CZ 4.42Å; V202-F204 HydrophobicContact CG2-CD1 4.02Å; V202-F204 HydrophobicContact CG2-CD2 3.81Å; V202-F204 HydrophobicContact CG2-CE1 3.7Å; V202-F204 HydrophobicContact CG2-CE2 3.45Å; V202-F204 VanDerWaalsContact CG2-CE2 3.45Å; V202-F204 HydrophobicContact CG2-CG 4.08Å; V202-F204 HydrophobicContact CG2-CZ 3.41Å; V202-F204 VanDerWaalsContact CG2-CZ 3.41Å; V202-F204 PolarHBondContact O-N 3.19Å; V202-N205 HydrophobicContact CG2-CB 4.2Å; V202-N205 PolarHBondContact O-N 2.91Å; V202-N205 VanDerWaalsContact O-N 3.08Å; V202-I246 HydrophobicContact CG2-CG1 4.39Å; V202-W250 PolarHBondContact O-NE1 3.02Å
203K98.1Very high97.2Very high79 Ų7939.6 Ų39.634%0.34322%0.22SC..THydrogen-bonded Turntrans-62.1-25.4-175.9177.3173-178.9177.50113.9L162 L163 L179 L188 N205L162-K203 HydrophobicContact CB-CG 4.44Å; L162-K203 HydrophobicContact CD2-CD 4.33Å; L162-K203 HydrophobicContact CD2-CG 4.19Å; L163-K203 HydrophobicContact CD2-CG 4.45Å; L179-K203 HydrophobicContact CD2-CB 4.38Å; L188-K203 HydrophobicContact CB-CB 3.81Å; L188-K203 PolarHBondContact O-N 3.5Å; K203-N205 VanDerWaalsContact C-N 3.27Å
204F97.8Very high97.3Very high40 Ų4042.8 Ų42.818%0.17523%0.233CC..THydrogen-bonded Turntrans-83.2-2.4178.359.3-104.4000114.1Y109 Y158 N189 V202 I246 H272Y109-F204 WeakPolarHBondContact OH-CB 3.34Å; Y158-F204 WeakPolarHBondContact CE1-O 3.41Å; Y158-F204 PolarHBondContact OH-O 2.96Å; N189-F204 HydrophobicContact CB-CD1 4.06Å; N189-F204 HydrophobicContact CB-CE1 4.32Å; N189-F204 WeakPolarHBondContact O-CE1 3.44Å; V202-F204 HydrophobicContact CB-CD1 4.1Å; V202-F204 HydrophobicContact CB-CE1 3.84Å; V202-F204 HydrophobicContact CB-CE2 4.46Å; V202-F204 HydrophobicContact CB-CZ 4.05Å; V202-F204 HydrophobicContact CG1-CE1 4.29Å; V202-F204 HydrophobicContact CG1-CZ 4.42Å; V202-F204 HydrophobicContact CG2-CD1 4.02Å; V202-F204 HydrophobicContact CG2-CD2 3.81Å; V202-F204 HydrophobicContact CG2-CE1 3.7Å; V202-F204 HydrophobicContact CG2-CE2 3.45Å; V202-F204 VanDerWaalsContact CG2-CE2 3.45Å; V202-F204 HydrophobicContact CG2-CG 4.08Å; V202-F204 HydrophobicContact CG2-CZ 3.41Å; V202-F204 VanDerWaalsContact CG2-CZ 3.41Å; V202-F204 PolarHBondContact O-N 3.19Å; F204-I246 HydrophobicContact CE2-CG1 4.43Å; F204-I246 HydrophobicContact CZ-CD1 3.9Å; F204-I246 HydrophobicContact CZ-CG1 3.9Å; F204-H272 AromaticContact CD2-CE1 3.82Å; F204-H272 AromaticContact CD2-NE2 3.72Å; F204-H272 AromaticContact CE2-NE2 3.93Å
205N98.7Very high97.5Very high0 Ų039 Ų390%020%0.204CC..  trans-103.8-179.5171.3-65.110.5000110.5R200 V202 K203 L236 I246 L248 H272R200-N205 PolarHBondContact O-ND2 3.32Å; R200-N205 VanDerWaalsContact O-ND2 3.11Å; V202-N205 HydrophobicContact CG2-CB 4.2Å; V202-N205 PolarHBondContact O-N 2.91Å; V202-N205 VanDerWaalsContact O-N 3.08Å; K203-N205 VanDerWaalsContact C-N 3.27Å; N205-L236 HydrophobicContact CB-CD1 4.05Å; N205-I246 PolarHBondContact ND2-O 3.23Å; N205-L248 PolarHBondContact ND2-O 2.64Å; N205-H272 PolarHBondContact OD1-NE2 2.71Å; N205-H272 VanDerWaalsContact OD1-NE2 3.12Å
206G98.5Very high97.7Very high0 Ų033.8 Ų33.80%017%0.172CC..  trans-159.8-166.9175.100000110.5A157 V160 L236 A249 W250A157-G206 CarbonylContact O-C 3.51Å; A157-G206 WeakPolarHBondContact O-CA 3.5Å; V160-G206 CarbonylContact O-C 3.2Å; V160-G206 VanDerWaalsContact O-CA 3.25Å; V160-G206 WeakPolarHBondContact O-CA 3.32Å; G206-L236 VanDerWaalsContact N-CD1 3.25Å; G206-A249 CarbonylContact O-C 3.59Å; G206-A249 WeakPolarHBondContact O-CA 3.3Å; G206-W250 PolarHBondContact O-N 2.8Å
207G98.1Very high97.8Very high1 Ų135.4 Ų35.41%0.0117%0.17CC..BIsolated β-bridgetrans-148.8-175.317600000112.6A157 V160 N251A157-G207 PolarHBondContact O-N 2.7Å; A157-G207 VanDerWaalsContact O-N 3.14Å; V160-G207 PolarHBondContact N-O 3.1Å; V160-G207 PolarHBondContact O-N 2.89Å; G207-N251 WeakPolarHBondContact CA-OD1 3.48Å
208F98.1Very high97.8Very high3 Ų334.1 Ų34.11%0.01317%0.172CC..  trans-105.6129.9-174.8-48.4-83000109.7L155 A157 L213 I238 A249 N251 L255L155-F208 HydrophobicContact CB-CD1 4.35Å; L155-F208 HydrophobicContact CB-CE1 3.87Å; L155-F208 HydrophobicContact CD1-CD1 4.47Å; L155-F208 HydrophobicContact CD1-CE1 4.09Å; A157-F208 HydrophobicContact CB-CE1 4Å; A157-F208 HydrophobicContact CB-CZ 4.11Å; F208-L213 HydrophobicContact CB-CD2 3.72Å; F208-L213 HydrophobicContact CB-CG 4.06Å; F208-L213 HydrophobicContact CG-CD2 4.37Å; F208-I238 HydrophobicContact CE2-CG2 4.06Å; F208-I238 HydrophobicContact CZ-CG2 4.33Å; F208-A249 HydrophobicContact CD2-CB 4.46Å; F208-A249 HydrophobicContact CE2-CB 3.58Å; F208-A249 HydrophobicContact CZ-CB 4.2Å; F208-N251 PolarHBondContact N-OD1 3.15Å; F208-N251 PolarHBondContact O-ND2 2.92Å; F208-L255 HydrophobicContact CD1-CD2 4.48Å; F208-L255 HydrophobicContact CD2-CB 4.28Å; F208-L255 HydrophobicContact CD2-CD2 3.78Å; F208-L255 HydrophobicContact CE1-CD2 4.15Å; F208-L255 HydrophobicContact CE2-CB 4.42Å; F208-L255 HydrophobicContact CE2-CD2 3.4Å; F208-L255 HydrophobicContact CG-CD2 4.31Å; F208-L255 HydrophobicContact CZ-CD2 3.61Å
209S96.9Very high97.8Very high12 Ų1231.1 Ų31.18%0.08416%0.159CC..  trans-72.7161.7176.971.70000111.3D159 D211 Q212 L213D159-S209 WeakPolarHBondContact OD2-CB 3.07Å; D159-S209 PolarHBondContact OD2-N 2.81Å; D159-S209 PolarHBondContact OD2-OG 3.34Å; S209-D211 PolarHBondContact O-N 2.74Å; S209-Q212 PolarHBondContact O-N 3.48Å; S209-Q212 VanDerWaalsContact O-N 3.09Å; S209-Q212 PolarHBondContact OG-N 3.26Å; S209-L213 WeakPolarHBondContact O-CG 3.43Å; S209-L213 PolarHBondContact O-N 2.95Å
210Q95.9Very high97.8Very high118 Ų11830.2 Ų30.255%0.55115%0.154SC*.Hα-helixtrans-57.6-39.9176-167.262.749.100111.8Q212 L213 D214Q210-Q212 VanDerWaalsContact C-N 3.26Å; Q210-Q212 PolarHBondContact O-N 2.79Å; Q210-L213 PolarHBondContact O-N 3.07Å; Q210-L213 VanDerWaalsContact O-N 3.16Å; Q210-D214 PolarHBondContact NE2-OD1 2.74Å; Q210-D214 WeakPolarHBondContact O-CB 3.27Å; Q210-D214 VanDerWaalsContact O-CG 3.29Å; Q210-D214 PolarHBondContact O-N 2.91Å
211D95.6Very high97.8Very high99 Ų9931.3 Ų31.353%0.52917%0.165SC..Hα-helixtrans-57.9-39.2177-64-13.9000112.1I139 S209 W215I139-D211 HydrophobicContact CD1-CB 4.24Å; S209-D211 PolarHBondContact O-N 2.74Å; D211-W215 VanDerWaalsContact O-CB 3.3Å; D211-W215 WeakPolarHBondContact O-CB 3.4Å; D211-W215 PolarHBondContact O-N 3.33Å; D211-W215 VanDerWaalsContact O-N 3.12Å
212Q97.4Very high97.8Very high1 Ų135.9 Ų35.91%0.00519%0.189CC..Hα-helixtrans-73.3-39.5178.1-167.6-178.217000111.9L134 I139 A141 D156 D159 S209 Q210 L216L134-Q212 HydrophobicContact CD2-CB 4.4Å; I139-Q212 HydrophobicContact CG2-CB 4.44Å; I139-Q212 HydrophobicContact CG2-CG 4.18Å; A141-Q212 HydrophobicContact CB-CG 4.22Å; D156-Q212 PolarHBondContact O-NE2 2.95Å; D159-Q212 WeakPolarHBondContact OD2-CB 3.49Å; D159-Q212 PolarHBondContact OD2-NE2 2.66Å; S209-Q212 PolarHBondContact O-N 3.48Å; S209-Q212 VanDerWaalsContact O-N 3.09Å; S209-Q212 PolarHBondContact OG-N 3.26Å; Q210-Q212 VanDerWaalsContact C-N 3.26Å; Q210-Q212 PolarHBondContact O-N 2.79Å; Q212-L216 WeakPolarHBondContact O-CB 3.15Å; Q212-L216 PolarHBondContact O-N 3.39Å
213L98.2Very high97.8Very high7 Ų735.9 Ų35.94%0.03719%0.189CC..Hα-helixtrans-66.8-43.9177.3-65.5-178.4000111.7F208 S209 Q210 W215 L216 E217 A254 L255 I258F208-L213 HydrophobicContact CB-CD2 3.72Å; F208-L213 HydrophobicContact CB-CG 4.06Å; F208-L213 HydrophobicContact CG-CD2 4.37Å; S209-L213 WeakPolarHBondContact O-CG 3.43Å; S209-L213 PolarHBondContact O-N 2.95Å; Q210-L213 PolarHBondContact O-N 3.07Å; Q210-L213 VanDerWaalsContact O-N 3.16Å; L213-W215 VanDerWaalsContact C-N 3.33Å; L213-W215 PolarHBondContact O-N 3Å; L213-L216 PolarHBondContact O-N 2.91Å; L213-E217 PolarHBondContact O-N 3.25Å; L213-A254 HydrophobicContact CD1-CB 4.23Å; L213-L255 HydrophobicContact CD2-CB 4.26Å; L213-L255 HydrophobicContact CD2-CD1 3.97Å; L213-I258 HydrophobicContact CB-CD1 3.84Å; L213-I258 HydrophobicContact CD1-CD1 4.37Å; L213-I258 HydrophobicContact CD2-CD1 3.92Å; L213-I258 HydrophobicContact CG-CD1 4.25Å
214D97.4Very high97.8Very high93 Ų9334.1 Ų34.150%0.49718%0.184SC..Hα-helixtrans-64.2-39.5176.8-70.7-11.7000111.5Q210 G218Q210-D214 PolarHBondContact NE2-OD1 2.74Å; Q210-D214 WeakPolarHBondContact O-CB 3.27Å; Q210-D214 VanDerWaalsContact O-CG 3.29Å; Q210-D214 PolarHBondContact O-N 2.91Å; D214-G218 PolarHBondContact O-N 3.17Å; D214-G218 VanDerWaalsContact O-N 3.14Å
215W97.5Very high97.8Very high39 Ų3938.7 Ų38.715%0.14821%0.21CC..Hα-helixtrans-62.2-46.3173168.280.3000111.8L134 A141 H143 V153 L155 D211 L213 G218 V219L134-W215 HydrophobicContact CB-CD2 4.36Å; L134-W215 HydrophobicContact CB-CG 4.36Å; L134-W215 HydrophobicContact CD1-CB 3.76Å; L134-W215 HydrophobicContact CD1-CG 3.74Å; L134-W215 HydrophobicContact CD2-CB 4.28Å; L134-W215 HydrophobicContact CD2-CG 4.42Å; L134-W215 HydrophobicContact CG-CG 4.4Å; A141-W215 HydrophobicContact CB-CE3 4.35Å; A141-W215 HydrophobicContact CB-CH2 4.06Å; A141-W215 HydrophobicContact CB-CZ3 3.79Å; H143-W215 AromaticContact CD2-CZ2 3.74Å; V153-W215 HydrophobicContact CG1-CH2 3.7Å; V153-W215 HydrophobicContact CG1-CZ3 3.81Å; L155-W215 HydrophobicContact CD2-CZ3 3.96Å; D211-W215 VanDerWaalsContact O-CB 3.3Å; D211-W215 WeakPolarHBondContact O-CB 3.4Å; D211-W215 PolarHBondContact O-N 3.33Å; D211-W215 VanDerWaalsContact O-N 3.12Å; L213-W215 VanDerWaalsContact C-N 3.33Å; L213-W215 PolarHBondContact O-N 3Å; W215-G218 PolarHBondContact O-N 2.61Å; W215-V219 HydrophobicContact CD2-CG2 4.25Å; W215-V219 HydrophobicContact CZ2-CG2 4.04Å; W215-V219 WeakPolarHBondContact O-CG2 3.44Å; W215-V219 PolarHBondContact O-N 3Å
216L98.4Very high97.7Very high1 Ų144.6 Ų44.61%0.00524%0.236CC..Hα-helixtrans-60.1-46.9177.9175.864.5000111.3V153 L155 Q212 L213 G218 V219 L220 I232 L255 I258 L259V153-L216 HydrophobicContact CG1-CD1 3.89Å; L155-L216 HydrophobicContact CD1-CD2 4.23Å; L155-L216 HydrophobicContact CD2-CD1 4.38Å; L155-L216 HydrophobicContact CD2-CD2 4.4Å; Q212-L216 WeakPolarHBondContact O-CB 3.15Å; Q212-L216 PolarHBondContact O-N 3.39Å; L213-L216 PolarHBondContact O-N 2.91Å; L216-G218 PolarHBondContact O-N 3.04Å; L216-V219 WeakPolarHBondContact O-CA 3.22Å; L216-V219 WeakPolarHBondContact O-CB 3.19Å; L216-V219 PolarHBondContact O-N 2.96Å; L216-L220 HydrophobicContact CD1-CD1 4Å; L216-L220 HydrophobicContact CD1-CD2 4.25Å; L216-L220 HydrophobicContact CD1-CG 3.89Å; L216-L220 HydrophobicContact CD2-CD1 4.43Å; L216-L220 HydrophobicContact CG-CD1 3.89Å; L216-L220 HydrophobicContact CG-CG 4.16Å; L216-L220 WeakPolarHBondContact O-CG 3.2Å; L216-L220 PolarHBondContact O-N 2.8Å; L216-I232 HydrophobicContact CD1-CD1 4.24Å; L216-L255 HydrophobicContact CD2-CD1 3.28Å; L216-I258 HydrophobicContact CD2-CG2 4.32Å; L216-L259 HydrophobicContact CD2-CD2 4.15Å
217E98.2Very high97.7Very high71 Ų7151.4 Ų51.433%0.33227%0.271SS..Hα-helixtrans-53.5-43.1175.6-174.377-167.900111.3L213 L220 S221 I258 H262L213-E217 PolarHBondContact O-N 3.25Å; E217-L220 PolarHBondContact O-N 3.41Å; E217-S221 VanDerWaalsContact O-CB 3.26Å; E217-S221 WeakPolarHBondContact O-CB 3.29Å; E217-S221 PolarHBondContact O-N 2.95Å; E217-S221 PolarHBondContact O-OG 3.18Å; E217-I258 WeakPolarHBondContact OE2-CG2 3.4Å; E217-H262 IonicContact OE1-CE1 2.8Å; E217-H262 IonicContact OE1-NE2 3.66Å; E217-H262 PolarHBondContact OE1-NE2 3.23Å; E217-H262 IonicContact OE2-NE2 2.64Å; E217-H262 PolarHBondContact OE2-NE2 3.47Å
218G97.8Very high97.6Very high34 Ų3452.3 Ų52.335%0.35128%0.276SS..Hα-helixtrans-62.4-43.417500000113D214 W215 L216 L222D214-G218 PolarHBondContact O-N 3.17Å; D214-G218 VanDerWaalsContact O-N 3.14Å; W215-G218 PolarHBondContact O-N 2.61Å; L216-G218 PolarHBondContact O-N 3.04Å; G218-L222 VanDerWaalsContact O-CG 3.32Å; G218-L222 WeakPolarHBondContact O-CG 3.46Å; G218-L222 PolarHBondContact O-N 3.4Å
219V97.9Very high97.7Very high8 Ų855.5 Ų55.55%0.04829%0.287CS..Hα-helixtrans-63-45.6176.5174.90000111V153 W215 L216 L222 A223V153-V219 HydrophobicContact CG2-CG1 3.98Å; W215-V219 HydrophobicContact CD2-CG2 4.25Å; W215-V219 HydrophobicContact CZ2-CG2 4.04Å; W215-V219 WeakPolarHBondContact O-CG2 3.44Å; W215-V219 PolarHBondContact O-N 3Å; L216-V219 WeakPolarHBondContact O-CA 3.22Å; L216-V219 WeakPolarHBondContact O-CB 3.19Å; L216-V219 PolarHBondContact O-N 2.96Å; V219-L222 PolarHBondContact O-N 3.31Å; V219-A223 PolarHBondContact O-N 3.5Å
220L98.6Very high97.8Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-70.1-39.4-178.3-64.1-178.1000112.2L216 E217 L222 A223 D224 V230 I232 I258 L259 H262 V265L216-L220 HydrophobicContact CD1-CD1 4Å; L216-L220 HydrophobicContact CD1-CD2 4.25Å; L216-L220 HydrophobicContact CD1-CG 3.89Å; L216-L220 HydrophobicContact CD2-CD1 4.43Å; L216-L220 HydrophobicContact CG-CD1 3.89Å; L216-L220 HydrophobicContact CG-CG 4.16Å; L216-L220 WeakPolarHBondContact O-CG 3.2Å; L216-L220 PolarHBondContact O-N 2.8Å; E217-L220 PolarHBondContact O-N 3.41Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.01Å; L220-A223 WeakPolarHBondContact O-CB 3.42Å; L220-A223 PolarHBondContact O-N 3.21Å; L220-A223 VanDerWaalsContact O-N 3.1Å; L220-D224 PolarHBondContact O-N 3.33Å; L220-V230 HydrophobicContact CD2-CB 4.06Å; L220-V230 HydrophobicContact CD2-CG1 3.72Å; L220-V230 HydrophobicContact CD2-CG2 3.98Å; L220-I232 HydrophobicContact CD1-CD1 4.43Å; L220-I232 HydrophobicContact CD2-CD1 4.4Å; L220-I258 HydrophobicContact CD1-CG2 3.91Å; L220-L259 HydrophobicContact CD1-CD2 4.09Å; L220-H262 HydrophobicContact CB-CB 4.06Å; L220-H262 VanDerWaalsContact CB-CD2 3.44Å; L220-H262 WeakPolarHBondContact CB-CD2 3.28Å; L220-H262 VanDerWaalsContact CB-CG 3.49Å; L220-H262 HydrophobicContact CD1-CB 4.21Å; L220-H262 VanDerWaalsContact CD1-CD2 3.45Å; L220-H262 WeakPolarHBondContact CD1-CD2 3.37Å; L220-V265 HydrophobicContact CD1-CG2 3.88Å; L220-V265 HydrophobicContact CD2-CG2 3.71Å; L220-V265 HydrophobicContact CG-CG2 4.4Å
221S98.4Very high97.9Very high45 Ų4549.3 Ų49.332%0.31526%0.257SS..Hα-helixtrans-58.4-40.2172.7-66.70000112.1E217 N225 H262E217-S221 VanDerWaalsContact O-CB 3.26Å; E217-S221 WeakPolarHBondContact O-CB 3.29Å; E217-S221 PolarHBondContact O-N 2.95Å; E217-S221 PolarHBondContact O-OG 3.18Å; S221-N225 PolarHBondContact O-N 2.88Å; S221-N225 PolarHBondContact O-ND2 3.37Å; S221-H262 PolarHBondContact OG-CE1 3.06Å
222L97.6Very high98Very high102 Ų10244.6 Ų44.653%0.53423%0.232SC..Hα-helixtrans-69.1-38.6174.8-70.1172000112.1G218 V219 L220 N225 K226G218-L222 VanDerWaalsContact O-CG 3.32Å; G218-L222 WeakPolarHBondContact O-CG 3.46Å; G218-L222 PolarHBondContact O-N 3.4Å; V219-L222 PolarHBondContact O-N 3.31Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.01Å; L222-N225 PolarHBondContact O-N 3.18Å; L222-K226 WeakPolarHBondContact O-CG 3.43Å; L222-K226 PolarHBondContact O-N 2.76Å; L222-K226 VanDerWaalsContact O-N 3.15Å
223A98.1Very high98.1Very high0 Ų044.6 Ų44.60%023%0.232CC..Hα-helixtrans-65.1-42.8177.700000111.9V219 L220 N225 K226 L227 E228 V230V219-A223 PolarHBondContact O-N 3.5Å; L220-A223 WeakPolarHBondContact O-CB 3.42Å; L220-A223 PolarHBondContact O-N 3.21Å; L220-A223 VanDerWaalsContact O-N 3.1Å; A223-N225 PolarHBondContact O-N 3.13Å; A223-K226 CarbonylContact O-C 3.58Å; A223-K226 PolarHBondContact O-N 3.43Å; A223-K226 VanDerWaalsContact O-N 3.14Å; A223-L227 PolarHBondContact O-N 3.08Å; A223-E228 HydrophobicContact CB-CB 4.01Å; A223-E228 PolarHBondContact O-N 3.22Å; A223-V230 HydrophobicContact CB-CG2 3.46Å; A223-V230 VanDerWaalsContact CB-CG2 3.46Å
224D98.3Very high98.1Very high42 Ų4244.2 Ų44.223%0.22523%0.23CC..Hα-helixtrans-56.6-49.2174.3-76.1-12.2000111.1L220 K226 L227 H262 K263 S264L220-D224 PolarHBondContact O-N 3.33Å; D224-K226 PolarHBondContact O-N 3.3Å; D224-L227 PolarHBondContact O-N 3.36Å; D224-L227 VanDerWaalsContact O-N 3.08Å; D224-H262 IonicContact OD2-CE1 3.9Å; D224-H262 IonicContact OD2-CG 3.54Å; D224-H262 IonicContact OD2-ND1 2.7Å; D224-H262 PolarHBondContact OD2-ND1 2.87Å; D224-K263 PolarHBondContact OD1-N 3.05Å; D224-S264 WeakPolarHBondContact OD1-CA 3.43Å; D224-S264 WeakPolarHBondContact OD1-CB 3.4Å; D224-S264 PolarHBondContact OD1-N 3.22Å; D224-S264 PolarHBondContact OD1-OG 2.83Å
225N97.9Very high98.2Very high137 Ų13739.8 Ų39.873%0.73321%0.207SC*.Hα-helixtrans-62.2-30.2178.7-74.9-46.5000113.2S221 L222 A223S221-N225 PolarHBondContact O-N 2.88Å; S221-N225 PolarHBondContact O-ND2 3.37Å; L222-N225 PolarHBondContact O-N 3.18Å; A223-N225 PolarHBondContact O-N 3.13Å
226K97.3Very high98.3Very high123 Ų12338 Ų3854%0.53520%0.2SC..THydrogen-bonded Turntrans-91.3-0.8178.7-68.7177.7-173.5176.40113.4L222 A223 D224 E228L222-K226 WeakPolarHBondContact O-CG 3.43Å; L222-K226 PolarHBondContact O-N 2.76Å; L222-K226 VanDerWaalsContact O-N 3.15Å; A223-K226 CarbonylContact O-C 3.58Å; A223-K226 PolarHBondContact O-N 3.43Å; A223-K226 VanDerWaalsContact O-N 3.14Å; D224-K226 PolarHBondContact O-N 3.3Å; K226-E228 HydrophobicContact CB-CG 3.78Å; K226-E228 PolarHBondContact O-N 3.31Å
227L97.1Very high98.3Very high143 Ų14337.9 Ų37.975%0.74920%0.199SC*.THydrogen-bonded Turntrans53.140.7-173.9-52.9173.7000111.5A223 D224A223-L227 PolarHBondContact O-N 3.08Å; D224-L227 PolarHBondContact O-N 3.36Å; D224-L227 VanDerWaalsContact O-N 3.08Å
228E97.9Very high98.3Very high21 Ų2134.5 Ų34.510%0.09818%0.183CC..  trans-80.1161.2174-68.6178.5171.100110.8K149 R151 A223 K226 S264K149-E228 CarbonylContact O-C 3.53Å; K149-E228 VanDerWaalsContact O-CA 3.26Å; K149-E228 WeakPolarHBondContact O-CA 3.47Å; R151-E228 IonicContact CZ-OE1 3.36Å; R151-E228 IonicContact CZ-OE2 3.84Å; R151-E228 VanDerWaalsContact CZ-OE2 3.28Å; R151-E228 IonicContact NE-OE2 3.5Å; R151-E228 PolarHBondContact NE-OE2 3.12Å; R151-E228 VanDerWaalsContact NH2-CD 3.34Å; R151-E228 IonicContact NH2-OE1 2.73Å; R151-E228 PolarHBondContact NH2-OE1 3.37Å; R151-E228 IonicContact NH2-OE2 2.95Å; R151-E228 PolarHBondContact NH2-OE2 3.32Å; A223-E228 HydrophobicContact CB-CB 4.01Å; A223-E228 PolarHBondContact O-N 3.22Å; K226-E228 HydrophobicContact CB-CG 3.78Å; K226-E228 PolarHBondContact O-N 3.31Å; E228-S264 WeakPolarHBondContact O-CA 3.45Å; E228-S264 WeakPolarHBondContact O-CB 3.33Å
229R98.5Very high98.4Very high69 Ų6933.8 Ų33.826%0.2617%0.171SC..EExtended strand (participates in β ladder)trans-109.3122169.2-65.8-179.4179.6140-3.3109.2K149 Y150 R151 S264 V266 E310K149-R229 PolarHBondContact O-N 3.44Å; Y150-R229 WeakPolarHBondContact CA-O 3.42Å; Y150-R229 HydrophobicContact CD1-CB 3.95Å; Y150-R229 HydrophobicContact CE1-CB 4.04Å; Y150-R229 HydrophobicContact CE1-CG 4.43Å; Y150-R229 PolarHBondContact OH-NH1 2.94Å; R151-R229 PolarHBondContact N-O 3.4Å; R229-S264 CarbonylContact C-O 3.38Å; R229-S264 WeakPolarHBondContact CA-O 3.44Å; R229-V266 HydrophobicContact CB-CG1 4.02Å; R229-V266 HydrophobicContact CB-CG2 4.13Å; R229-V266 HydrophobicContact CG-CG1 3.99Å; R229-E310 PolarHBondContact NH1-O 3.44Å; R229-E310 PolarHBondContact NH2-O 3.45Å
230V98.8Very high98.4Very high0 Ų035.1 Ų35.10%018%0.18CC..EExtended strand (participates in β ladder)trans-106.9124.4-173.7-1730000109.6R151 V153 L220 A223 I232 S264 V266R151-V230 HydrophobicContact CB-CG2 4.28Å; R151-V230 CarbonylContact O-C 3.49Å; R151-V230 VanDerWaalsContact O-CA 3.31Å; R151-V230 WeakPolarHBondContact O-CA 3.33Å; V153-V230 HydrophobicContact CG2-CG1 3.71Å; L220-V230 HydrophobicContact CD2-CB 4.06Å; L220-V230 HydrophobicContact CD2-CG1 3.72Å; L220-V230 HydrophobicContact CD2-CG2 3.98Å; A223-V230 HydrophobicContact CB-CG2 3.46Å; A223-V230 VanDerWaalsContact CB-CG2 3.46Å; V230-I232 HydrophobicContact CG1-CG1 3.97Å; V230-S264 PolarHBondContact N-O 3.17Å; V230-V266 WeakPolarHBondContact O-CG2 3.19Å; V230-V266 PolarHBondContact O-N 3.02Å
231T98.8Very high98.4Very high1 Ų138.6 Ų38.61%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-103.4122.9165-54.90000108.6R151 F152 V153 V233 C267 M269 M313R151-T231 PolarHBondContact O-N 2.88Å; F152-T231 CarbonylContact C-O 3.51Å; F152-T231 VanDerWaalsContact CA-O 3.27Å; F152-T231 WeakPolarHBondContact CA-O 3.06Å; F152-T231 HydrophobicContact CD1-CG2 3.98Å; F152-T231 HydrophobicContact CE1-CG2 3.66Å; F152-T231 HydrophobicContact CZ-CG2 4.34Å; V153-T231 PolarHBondContact N-O 3.22Å; T231-V233 HydrophobicContact CG2-CG2 4.44Å; T231-C267 CarbonylContact C-O 3.52Å; T231-C267 WeakPolarHBondContact CA-O 3.47Å; T231-C267 HydrophobicContact CG2-CB 4.21Å; T231-M269 HydrophobicContact CG2-CE 4Å; T231-M269 HydrophobicContact CG2-CG 4.17Å; T231-M269 HydrophobicContact CG2-SD 4.02Å; T231-M313 WeakPolarHBondContact OG1-CE 3.45Å
232I98.9Very high98.4Very high0 Ų036.6 Ų36.60%019%0.19CC..EExtended strand (participates in β ladder)trans-99.5141.6177-60.2175.6000108.5V153 L155 L216 L220 V230 L259 V265 C267 F268 M269V153-I232 HydrophobicContact CB-CG1 4.34Å; V153-I232 CarbonylContact O-C 3.5Å; V153-I232 WeakPolarHBondContact O-CA 3.37Å; L155-I232 HydrophobicContact CD1-CG2 3.53Å; L155-I232 HydrophobicContact CG-CG2 3.87Å; L216-I232 HydrophobicContact CD1-CD1 4.24Å; L220-I232 HydrophobicContact CD1-CD1 4.43Å; L220-I232 HydrophobicContact CD2-CD1 4.4Å; V230-I232 HydrophobicContact CG1-CG1 3.97Å; I232-L259 HydrophobicContact CD1-CD1 3.91Å; I232-L259 HydrophobicContact CD1-CD2 3.19Å; I232-L259 HydrophobicContact CD1-CG 4.17Å; I232-V265 HydrophobicContact CD1-CG1 4.19Å; I232-V265 HydrophobicContact CD1-CG2 4.23Å; I232-C267 PolarHBondContact N-O 3.33Å; I232-F268 HydrophobicContact CB-CD2 3.71Å; I232-F268 HydrophobicContact CB-CE2 4.24Å; I232-F268 HydrophobicContact CG2-CD2 3.52Å; I232-F268 HydrophobicContact CG2-CE2 3.51Å; I232-F268 CarbonylContact O-C 3.57Å; I232-F268 VanDerWaalsContact O-CA 3.29Å; I232-F268 WeakPolarHBondContact O-CA 3.34Å; I232-M269 PolarHBondContact O-N 3.42Å
233V98.9Very high98.4Very high0 Ų032.5 Ų32.50%017%0.169CC..EExtended strand (participates in β ladder)trans-131.2129.8-174.3-167.20000108.3L65 L67 V102 F152 V153 V154 L155 T231 M269L65-V233 HydrophobicContact CD1-CG2 3.99Å; L67-V233 HydrophobicContact CD2-CG1 3.3Å; V102-V233 HydrophobicContact CG2-CG1 3.65Å; F152-V233 HydrophobicContact CD1-CG2 4.2Å; V153-V233 PolarHBondContact O-N 3.21Å; V154-V233 WeakPolarHBondContact CA-O 3.44Å; V154-V233 HydrophobicContact CG2-CB 4.3Å; L155-V233 PolarHBondContact N-O 2.99Å; T231-V233 HydrophobicContact CG2-CG2 4.44Å; V233-M269 WeakPolarHBondContact CA-O 3.22Å
234S98.9Very high98.4Very high0 Ų036 Ų360%019%0.188CC..  trans-145.6155.8-1791700000108.8L236 M269 A270S234-L236 WeakPolarHBondContact CB-O 3.32Å; S234-L236 PolarHBondContact OG-N 2.77Å; S234-L236 PolarHBondContact OG-O 2.86Å; S234-M269 PolarHBondContact N-O 3.27Å; S234-A270 WeakPolarHBondContact O-CA 3.45Å
235H98.9Very high98.4Very high0 Ų035.1 Ų35.10%019%0.185CC..SBendtrans-71.3-49.4168.4-177.366.1000110.1D20 L67 D69 V102 G104 N105 Y158 G271 H272D20-H235 IonicContact OD1-CE1 3.66Å; D20-H235 PolarHBondContact OD1-CE1 2.83Å; L67-H235 PolarHBondContact O-ND1 3.3Å; D69-H235 IonicContact OD1-CE1 2.81Å; D69-H235 IonicContact OD1-NE2 3.14Å; D69-H235 IonicContact OD2-CE1 3.89Å; D69-H235 IonicContact OD2-NE2 2.65Å; V102-H235 HydrophobicContact CG1-CB 4Å; G104-H235 WeakPolarHBondContact CA-CD2 3.27Å; N105-H235 PolarHBondContact OD1-NE2 3.49Å; N105-H235 VanDerWaalsContact OD1-NE2 3.13Å; Y158-H235 HydrophobicContact CE2-CB 4.34Å; Y158-H235 AromaticContact CE2-CD2 3.75Å; Y158-H235 PolarHBondContact OH-CD2 3.22Å; H235-G271 CarbonylContact O-C 3.47Å; H235-G271 PolarHBondContact O-N 3.43Å; H235-G271 VanDerWaalsContact O-N 3.1Å; H235-H272 AromaticContact CD2-CG 3.92Å; H235-H272 AromaticContact CD2-ND1 3.55Å; H235-H272 WeakPolarHBondContact NE2-CB 3.44Å; H235-H272 AromaticContact NE2-CG 3.57Å; H235-H272 AromaticContact NE2-ND1 3.01Å; H235-H272 PolarHBondContact NE2-ND1 3.01Å; H235-H272 WeakPolarHBondContact O-CB 3.44Å
236L98.9Very high98.4Very high0 Ų029.5 Ų29.50%015%0.154CC..SBendtrans-81.2131.5-180-61.6179.8000111.8A157 Y158 N205 G206 S234 A249 H272A157-L236 HydrophobicContact CB-CB 3.84Å; A157-L236 HydrophobicContact CB-CD1 3.9Å; A157-L236 HydrophobicContact CB-CG 3.72Å; Y158-L236 HydrophobicContact CE2-CG 4.34Å; Y158-L236 WeakPolarHBondContact OH-CD2 3.49Å; N205-L236 HydrophobicContact CB-CD1 4.05Å; G206-L236 VanDerWaalsContact N-CD1 3.25Å; S234-L236 WeakPolarHBondContact CB-O 3.32Å; S234-L236 PolarHBondContact OG-N 2.77Å; S234-L236 PolarHBondContact OG-O 2.86Å; L236-A249 HydrophobicContact CB-CB 4.12Å; L236-A249 HydrophobicContact CD1-CB 4.3Å; L236-H272 HydrophobicContact CD2-CB 4.07Å; L236-H272 WeakPolarHBondContact CD2-CD2 3.42Å; L236-H272 VanDerWaalsContact CD2-CG 3.45Å
237P98.8Very high98.4Very high0 Ų024.2 Ų24.20%013%0.133CC..  trans-68.6156.4169.527.5-34.7000112.1T243 C247 L248 A249 A270 T289P237-T243 HydrophobicContact CB-CG2 3.71Å; P237-T243 HydrophobicContact CG-CG2 3.57Å; P237-T243 VanDerWaalsContact CG-OG1 3.29Å; P237-T243 WeakPolarHBondContact CG-OG1 3.39Å; P237-C247 WeakPolarHBondContact CD-O 3.42Å; P237-C247 HydrophobicContact CG-CB 4.21Å; P237-C247 WeakPolarHBondContact CG-O 3.49Å; P237-L248 WeakPolarHBondContact O-CA 3.35Å; P237-A249 PolarHBondContact O-N 3.03Å; P237-A270 HydrophobicContact CB-CB 3.92Å; P237-T289 HydrophobicContact CB-CG2 4.25Å; P237-T289 HydrophobicContact CG-CG2 4.27Å
238I98.7Very high98.5Very high0 Ų017.4 Ų17.40%010%0.097CC..  trans-125.4-11.1-17866.2164.4000114.7F208 A249 Y252 L255 L259 F268 Y287F208-I238 HydrophobicContact CE2-CG2 4.06Å; F208-I238 HydrophobicContact CZ-CG2 4.33Å; I238-A249 HydrophobicContact CG2-CB 4.16Å; I238-Y252 WeakPolarHBondContact O-CB 3.44Å; I238-Y252 WeakPolarHBondContact O-CD2 3.32Å; I238-L255 HydrophobicContact CD1-CB 4.37Å; I238-L255 HydrophobicContact CD1-CD2 3.97Å; I238-L255 HydrophobicContact CD1-CG 3.79Å; I238-L255 HydrophobicContact CG2-CD2 3.79Å; I238-L259 HydrophobicContact CD1-CD1 3.65Å; I238-L259 HydrophobicContact CD1-CG 4.3Å; I238-F268 HydrophobicContact CB-CZ 4.32Å; I238-F268 HydrophobicContact CD1-CD2 3.85Å; I238-F268 HydrophobicContact CD1-CE2 3.71Å; I238-F268 HydrophobicContact CD1-CG 4.31Å; I238-F268 HydrophobicContact CD1-CZ 4.05Å; I238-F268 HydrophobicContact CG1-CD1 4.09Å; I238-F268 HydrophobicContact CG1-CD2 4.17Å; I238-F268 HydrophobicContact CG1-CE1 3.88Å; I238-F268 HydrophobicContact CG1-CE2 3.97Å; I238-F268 HydrophobicContact CG1-CG 4.22Å; I238-F268 HydrophobicContact CG1-CZ 3.8Å; I238-F268 HydrophobicContact CG2-CE1 4.24Å; I238-F268 HydrophobicContact CG2-CE2 4.31Å; I238-F268 HydrophobicContact CG2-CZ 3.72Å; I238-Y287 HydrophobicContact CD1-CE1 4.06Å; I238-Y287 HydrophobicContact CG1-CD1 4.19Å; I238-Y287 HydrophobicContact CG1-CE1 4.07Å
239H98.6Very high98.6Very high18 Ų1816.4 Ų16.48%0.0839%0.092CC..  trans-102.6120.2-178.9-165.2-70.4000110.4S241 S242 H279 Y287H239-S241 PolarHBondContact ND1-N 3.22Å; H239-S241 VanDerWaalsContact ND1-N 3.15Å; H239-S241 PolarHBondContact O-N 3.45Å; H239-S242 PolarHBondContact O-N 2.81Å; H239-S242 PolarHBondContact O-OG 3.03Å; H239-S242 VanDerWaalsContact O-OG 3.07Å; H239-H279 AromaticContact CD2-CD2 3.9Å; H239-H279 AromaticContact CE1-CD2 3Å; H239-H279 PolarHBondContact CE1-CD2 3.09Å; H239-H279 AromaticContact CE1-CG 3.76Å; H239-H279 AromaticContact CE1-NE2 3.34Å; H239-H279 PolarHBondContact CE1-NE2 3.01Å; H239-H279 VanDerWaalsContact CE1-NE2 3.34Å; H239-H279 AromaticContact CG-CD2 3.95Å; H239-H279 AromaticContact ND1-CD2 3.39Å; H239-H279 PolarHBondContact ND1-CD2 3.02Å; H239-H279 AromaticContact ND1-CG 3.8Å; H239-H279 AromaticContact NE2-CD2 3.33Å; H239-H279 PolarHBondContact NE2-CD2 3.32Å; H239-H279 VanDerWaalsContact NE2-CD2 3.33Å; H239-H279 AromaticContact NE2-NE2 3.67Å; H239-Y287 HydrophobicContact CB-CD1 3.52Å; H239-Y287 HydrophobicContact CB-CD2 3.94Å; H239-Y287 HydrophobicContact CB-CE1 4.08Å; H239-Y287 HydrophobicContact CB-CE2 4.46Å; H239-Y287 HydrophobicContact CB-CG 3.45Å; H239-Y287 VanDerWaalsContact CB-CG 3.45Å; H239-Y287 AromaticContact CD2-CD2 3.72Å; H239-Y287 AromaticContact CD2-CE2 3.63Å; H239-Y287 AromaticContact CD2-CZ 3.96Å; H239-Y287 AromaticContact CG-CD2 3.87Å; H239-Y287 AromaticContact CG-CG 3.92Å
240P98.3Very high98.6Very high36 Ų3613.5 Ų13.523%0.2348%0.081CC..G310 helixtrans-58.3-26.8-175.4-28.335.8000115.3M197 T243 L248 Y252M197-P240 HydrophobicContact CE-CB 4.15Å; M197-P240 HydrophobicContact SD-CB 3.82Å; M197-P240 HydrophobicContact SD-CG 3.93Å; P240-T243 VanDerWaalsContact O-O 3.13Å; P240-L248 HydrophobicContact CB-CD1 4.24Å; P240-L248 HydrophobicContact CG-CD1 4.09Å; P240-Y252 HydrophobicContact CG-CD2 4.21Å; P240-Y252 HydrophobicContact CG-CE2 3.51Å
241S98.5Very high98.6Very high74 Ų7415.3 Ų15.352%0.5179%0.091SC..G310 helixtrans-84.8-2.2176.9-50.70000114.5H239 H279H239-S241 PolarHBondContact ND1-N 3.22Å; H239-S241 VanDerWaalsContact ND1-N 3.15Å; H239-S241 PolarHBondContact O-N 3.45Å; S241-H279 WeakPolarHBondContact CB-ND1 3.44Å
242S98.2Very high98.6Very high3 Ų317 Ų172%0.02110%0.098CC..G310 helixtrans-113.28.9179.674.50000113.6H239 G277 T289H239-S242 PolarHBondContact O-N 2.81Å; H239-S242 PolarHBondContact O-OG 3.03Å; H239-S242 VanDerWaalsContact O-OG 3.07Å; S242-G277 CarbonylContact O-C 3.52Å; S242-G277 VanDerWaalsContact O-CA 3.28Å; S242-G277 WeakPolarHBondContact O-CA 3.33Å; S242-T289 VanDerWaalsContact O-CB 3.27Å; S242-T289 WeakPolarHBondContact O-CB 3.32Å; S242-T289 PolarHBondContact O-OG1 2.96Å
243T98.4Very high98.5Very high15 Ų1520.9 Ų20.99%0.09212%0.118CC..SBendtrans-165164.1-177.6-172.80000111.1P237 P240 C247 L248 D273P237-T243 HydrophobicContact CB-CG2 3.71Å; P237-T243 HydrophobicContact CG-CG2 3.57Å; P237-T243 VanDerWaalsContact CG-OG1 3.29Å; P237-T243 WeakPolarHBondContact CG-OG1 3.39Å; P240-T243 VanDerWaalsContact O-O 3.13Å; T243-C247 WeakPolarHBondContact OG1-CB 3.42Å; T243-L248 HydrophobicContact CG2-CD2 3.46Å; T243-L248 VanDerWaalsContact CG2-CD2 3.46Å; T243-L248 HydrophobicContact CG2-CG 3.81Å; T243-D273 VanDerWaalsContact CA-OD2 3.28Å; T243-D273 WeakPolarHBondContact CA-OD2 3.15Å; T243-D273 WeakPolarHBondContact OG1-CB 3.32Å; T243-D273 PolarHBondContact OG1-OD2 2.82Å
244D97.8Very high98.5Very high73 Ų7322.6 Ų22.639%0.3913%0.133SC..  trans-63.8138.4164.4-168.6-76.1000111.2I246 C247 D273D244-I246 HydrophobicContact CB-CG2 4.34Å; D244-I246 PolarHBondContact O-N 2.96Å; D244-I246 WeakPolarHBondContact OD1-CB 3.46Å; D244-I246 WeakPolarHBondContact OD1-CG2 3.45Å; D244-I246 PolarHBondContact OD1-N 2.94Å; D244-C247 WeakPolarHBondContact O-CB 3.45Å; D244-C247 PolarHBondContact O-N 3.48Å; D244-D273 PolarHBondContact N-OD2 3.16Å
245P98.1Very high98.5Very high24 Ų2422.6 Ų22.616%0.15613%0.133CC..G310 helixtrans-55.9-27.4-179.5-26.935.1000115.1G196 M197 Q199 R200 C247 L248G196-P245 WeakPolarHBondContact O-CB 3.13Å; M197-P245 HydrophobicContact CE-CB 3.71Å; M197-P245 HydrophobicContact CE-CG 3.48Å; M197-P245 VanDerWaalsContact CE-CG 3.48Å; M197-P245 HydrophobicContact SD-CB 4.33Å; Q199-P245 HydrophobicContact CB-CB 4.42Å; R200-P245 WeakPolarHBondContact CA-O 3.24Å; R200-P245 VanDerWaalsContact CB-O 3.26Å; R200-P245 WeakPolarHBondContact CB-O 3.42Å; R200-P245 PolarHBondContact N-O 2.65Å; P245-C247 PolarHBondContact O-N 3.17Å; P245-L248 PolarHBondContact O-N 3.4Å
246I97.9Very high98.4Very high19 Ų1923.5 Ų23.510%0.09714%0.137CC..G310 helixtrans-66.3-20.8177.1-158.1173.8000112.9P191 Q199 V202 F204 N205 D244P191-I246 HydrophobicContact CB-CD1 4.2Å; P191-I246 HydrophobicContact CB-CG1 4.44Å; P191-I246 HydrophobicContact CG-CD1 4.02Å; Q199-I246 HydrophobicContact CB-CB 4.03Å; Q199-I246 HydrophobicContact CB-CG1 4.26Å; V202-I246 HydrophobicContact CG2-CG1 4.39Å; F204-I246 HydrophobicContact CE2-CG1 4.43Å; F204-I246 HydrophobicContact CZ-CD1 3.9Å; F204-I246 HydrophobicContact CZ-CG1 3.9Å; N205-I246 PolarHBondContact ND2-O 3.23Å; D244-I246 HydrophobicContact CB-CG2 4.34Å; D244-I246 PolarHBondContact O-N 2.96Å; D244-I246 WeakPolarHBondContact OD1-CB 3.46Å; D244-I246 WeakPolarHBondContact OD1-CG2 3.45Å; D244-I246 PolarHBondContact OD1-N 2.94Å
247C98.4Very high98.4Very high12 Ų1227 Ų278%0.08116%0.162CC..G310 helixtrans-95.1-5.6-176-730000113.5P237 T243 D244 P245 D273P237-C247 WeakPolarHBondContact CD-O 3.42Å; P237-C247 HydrophobicContact CG-CB 4.21Å; P237-C247 WeakPolarHBondContact CG-O 3.49Å; T243-C247 WeakPolarHBondContact OG1-CB 3.42Å; D244-C247 WeakPolarHBondContact O-CB 3.45Å; D244-C247 PolarHBondContact O-N 3.48Å; P245-C247 PolarHBondContact O-N 3.17Å; C247-D273 HydrophobicContact CB-CB 3.91Å
248L98.8Very high98.3Very high0 Ų028.1 Ų28.10%017%0.168CC..SBendtrans-67.8147.1-178.6-72.7168.1000112.6M197 R200 N205 P237 P240 T243 P245 Y252M197-L248 HydrophobicContact SD-CD1 3.62Å; R200-L248 HydrophobicContact CB-CB 3.92Å; R200-L248 WeakPolarHBondContact CB-O 3.44Å; N205-L248 PolarHBondContact ND2-O 2.64Å; P237-L248 WeakPolarHBondContact O-CA 3.35Å; P240-L248 HydrophobicContact CB-CD1 4.24Å; P240-L248 HydrophobicContact CG-CD1 4.09Å; T243-L248 HydrophobicContact CG2-CD2 3.46Å; T243-L248 VanDerWaalsContact CG2-CD2 3.46Å; T243-L248 HydrophobicContact CG2-CG 3.81Å; P245-L248 PolarHBondContact O-N 3.4Å; L248-Y252 HydrophobicContact CB-CD1 4.3Å; L248-Y252 HydrophobicContact CD1-CD1 4.19Å; L248-Y252 HydrophobicContact CD1-CE1 4.19Å; L248-Y252 HydrophobicContact CD2-CG 4.43Å
249A98.8Very high98.3Very high0 Ų028.1 Ų28.10%017%0.168CC..  trans-59.1147.3165.100000111.5R200 G206 F208 L236 P237 I238 N251 Y252R200-A249 WeakPolarHBondContact CD-O 3.34Å; G206-A249 CarbonylContact O-C 3.59Å; G206-A249 WeakPolarHBondContact O-CA 3.3Å; F208-A249 HydrophobicContact CD2-CB 4.46Å; F208-A249 HydrophobicContact CE2-CB 3.58Å; F208-A249 HydrophobicContact CZ-CB 4.2Å; L236-A249 HydrophobicContact CB-CB 4.12Å; L236-A249 HydrophobicContact CD1-CB 4.3Å; P237-A249 PolarHBondContact O-N 3.03Å; I238-A249 HydrophobicContact CG2-CB 4.16Å; A249-N251 PolarHBondContact O-N 3.29Å; A249-Y252 WeakPolarHBondContact O-CB 3.45Å; A249-Y252 PolarHBondContact O-N 2.83Å
250W98.8Very high98.1Very high8 Ų831.7 Ų31.73%0.0318%0.184CC..THydrogen-bonded Turntrans-57.8-47.1-175.3-69.6-9.5000113V160 L162 A175 I178 L179 R200 F201 V202 G206V160-W250 HydrophobicContact CG1-CE3 4.46Å; V160-W250 HydrophobicContact CG1-CZ3 4.27Å; L162-W250 HydrophobicContact CD1-CH2 3.8Å; A175-W250 HydrophobicContact CB-CH2 4.27Å; A175-W250 HydrophobicContact CB-CZ3 3.93Å; I178-W250 HydrophobicContact CG2-CE3 4.05Å; L179-W250 HydrophobicContact CB-CH2 4.06Å; L179-W250 HydrophobicContact CB-CZ2 4.21Å; L179-W250 HydrophobicContact CD1-CZ2 4.03Å; L179-W250 HydrophobicContact CD2-CH2 4.34Å; L179-W250 HydrophobicContact CD2-CZ2 4.09Å; L179-W250 HydrophobicContact CG-CZ2 4.35Å; R200-W250 PolarHBondContact NE-O 3.11Å; R200-W250 PolarHBondContact NH2-O 3.41Å; R200-W250 PolarHBondContact O-NE1 3.27Å; F201-W250 HydrophobicContact CD1-CB 4.21Å; F201-W250 AromaticContact CD1-CD1 3.88Å; F201-W250 HydrophobicContact CD1-CD2 4.39Å; F201-W250 AromaticContact CD1-CG 3.9Å; F201-W250 HydrophobicContact CD1-CG 3.9Å; F201-W250 HydrophobicContact CE1-CB 3.84Å; F201-W250 HydrophobicContact CE1-CG 4.03Å; V202-W250 PolarHBondContact O-NE1 3.02Å; G206-W250 PolarHBondContact O-N 2.8Å
251N98.5Very high98.1Very high39 Ų3933.2 Ų33.221%0.20920%0.2CC..THydrogen-bonded Turntrans-105.642.2176.862.8-29.1000111.8G207 F208 A249 D253 A254 L255G207-N251 WeakPolarHBondContact CA-OD1 3.48Å; F208-N251 PolarHBondContact N-OD1 3.15Å; F208-N251 PolarHBondContact O-ND2 2.92Å; A249-N251 PolarHBondContact O-N 3.29Å; N251-D253 VanDerWaalsContact C-OD1 3.32Å; N251-D253 WeakPolarHBondContact CA-OD1 3.26Å; N251-D253 PolarHBondContact O-N 3.2Å; N251-D253 VanDerWaalsContact O-N 3.17Å; N251-A254 HydrophobicContact CB-CB 4.36Å; N251-A254 PolarHBondContact O-N 3.14Å; N251-L255 PolarHBondContact O-N 2.81Å
252Y98.6Very high98Very high36 Ų3630.2 Ų30.214%0.14118%0.178CC..Hα-helixtrans-53.7-34.1179.178-93.6000112.9I238 P240 L248 A249 L255 L256I238-Y252 WeakPolarHBondContact O-CB 3.44Å; I238-Y252 WeakPolarHBondContact O-CD2 3.32Å; P240-Y252 HydrophobicContact CG-CD2 4.21Å; P240-Y252 HydrophobicContact CG-CE2 3.51Å; L248-Y252 HydrophobicContact CB-CD1 4.3Å; L248-Y252 HydrophobicContact CD1-CD1 4.19Å; L248-Y252 HydrophobicContact CD1-CE1 4.19Å; L248-Y252 HydrophobicContact CD2-CG 4.43Å; A249-Y252 WeakPolarHBondContact O-CB 3.45Å; A249-Y252 PolarHBondContact O-N 2.83Å; Y252-L255 PolarHBondContact O-N 3.01Å; Y252-L256 WeakPolarHBondContact O-CB 3.48Å; Y252-L256 PolarHBondContact O-N 2.97Å
253D98Very high97.9Very high81 Ų8139.2 Ų39.243%0.43322%0.216SC..Hα-helixtrans-68.7-39.5-176.758.9-37.2000112.3N251 S257N251-D253 VanDerWaalsContact C-OD1 3.32Å; N251-D253 WeakPolarHBondContact CA-OD1 3.26Å; N251-D253 PolarHBondContact O-N 3.2Å; N251-D253 VanDerWaalsContact O-N 3.17Å; D253-S257 WeakPolarHBondContact O-CB 3.46Å; D253-S257 PolarHBondContact O-N 3.06Å; D253-S257 PolarHBondContact O-OG 3.31Å
254A98.4Very high97.9Very high36 Ų3638.8 Ų38.830%0.29821%0.214SC..Hα-helixtrans-62.8-47.7173.900000111L213 N251 S257 I258L213-A254 HydrophobicContact CD1-CB 4.23Å; N251-A254 HydrophobicContact CB-CB 4.36Å; N251-A254 PolarHBondContact O-N 3.14Å; A254-S257 PolarHBondContact O-N 3.22Å; A254-I258 PolarHBondContact O-N 2.83Å
255L98.4Very high98Very high0 Ų035.3 Ų35.30%020%0.196CC..Hα-helixtrans-66.7-42.9177.9-179.755.7000111.7L155 F208 L213 L216 I238 N251 Y252 S257 I258 L259 F268L155-L255 HydrophobicContact CD1-CD1 4.27Å; L155-L255 HydrophobicContact CD1-CD2 3.74Å; F208-L255 HydrophobicContact CD1-CD2 4.48Å; F208-L255 HydrophobicContact CD2-CB 4.28Å; F208-L255 HydrophobicContact CD2-CD2 3.78Å; F208-L255 HydrophobicContact CE1-CD2 4.15Å; F208-L255 HydrophobicContact CE2-CB 4.42Å; F208-L255 HydrophobicContact CE2-CD2 3.4Å; F208-L255 HydrophobicContact CG-CD2 4.31Å; F208-L255 HydrophobicContact CZ-CD2 3.61Å; L213-L255 HydrophobicContact CD2-CB 4.26Å; L213-L255 HydrophobicContact CD2-CD1 3.97Å; L216-L255 HydrophobicContact CD2-CD1 3.28Å; I238-L255 HydrophobicContact CD1-CB 4.37Å; I238-L255 HydrophobicContact CD1-CD2 3.97Å; I238-L255 HydrophobicContact CD1-CG 3.79Å; I238-L255 HydrophobicContact CG2-CD2 3.79Å; N251-L255 PolarHBondContact O-N 2.81Å; Y252-L255 PolarHBondContact O-N 3.01Å; L255-S257 VanDerWaalsContact C-N 3.27Å; L255-S257 PolarHBondContact O-N 3.27Å; L255-I258 WeakPolarHBondContact O-CB 3.19Å; L255-I258 PolarHBondContact O-N 2.88Å; L255-I258 VanDerWaalsContact O-N 3.14Å; L255-L259 HydrophobicContact CD1-CD2 3.85Å; L255-L259 HydrophobicContact CD1-CG 4.36Å; L255-L259 HydrophobicContact CG-CD2 4.46Å; L255-L259 HydrophobicContact CG-CG 4.48Å; L255-L259 WeakPolarHBondContact O-CG 3.45Å; L255-L259 PolarHBondContact O-N 3.06Å; L255-F268 HydrophobicContact CD2-CE2 4.08Å
256L97.9Very high98Very high19 Ų1934.3 Ų34.310%0.09919%0.189CC..Hα-helixtrans-57.6-42177.8-177.161.6000111.6Y252 I258 L259 Q260 Y287Y252-L256 WeakPolarHBondContact O-CB 3.48Å; Y252-L256 PolarHBondContact O-N 2.97Å; L256-I258 VanDerWaalsContact C-N 3.35Å; L256-I258 PolarHBondContact O-N 3.4Å; L256-L259 PolarHBondContact O-N 3.21Å; L256-Q260 HydrophobicContact CD1-CG 4.42Å; L256-Q260 WeakPolarHBondContact O-CG 3.47Å; L256-Q260 PolarHBondContact O-N 2.93Å; L256-Y287 HydrophobicContact CD1-CE1 3.78Å; L256-Y287 HydrophobicContact CD1-CE2 4.4Å; L256-Y287 WeakPolarHBondContact CD1-OH 3.46Å
257S97.6Very high98Very high73 Ų7333.5 Ų33.551%0.5119%0.185SC..Hα-helixtrans-61.8-40.9177.2-58.60000112.4D253 A254 L255 A261D253-S257 WeakPolarHBondContact O-CB 3.46Å; D253-S257 PolarHBondContact O-N 3.06Å; D253-S257 PolarHBondContact O-OG 3.31Å; A254-S257 PolarHBondContact O-N 3.22Å; L255-S257 VanDerWaalsContact C-N 3.27Å; L255-S257 PolarHBondContact O-N 3.27Å; S257-A261 PolarHBondContact O-N 2.94Å
258I98.2Very high98.1Very high25 Ų2533 Ų3313%0.12818%0.182CC..Hα-helixtrans-61.1-49174-71163.1000109.9L213 L216 E217 L220 A254 L255 L256 Q260 A261 H262L213-I258 HydrophobicContact CB-CD1 3.84Å; L213-I258 HydrophobicContact CD1-CD1 4.37Å; L213-I258 HydrophobicContact CD2-CD1 3.92Å; L213-I258 HydrophobicContact CG-CD1 4.25Å; L216-I258 HydrophobicContact CD2-CG2 4.32Å; E217-I258 WeakPolarHBondContact OE2-CG2 3.4Å; L220-I258 HydrophobicContact CD1-CG2 3.91Å; A254-I258 PolarHBondContact O-N 2.83Å; L255-I258 WeakPolarHBondContact O-CB 3.19Å; L255-I258 PolarHBondContact O-N 2.88Å; L255-I258 VanDerWaalsContact O-N 3.14Å; L256-I258 VanDerWaalsContact C-N 3.35Å; L256-I258 PolarHBondContact O-N 3.4Å; I258-Q260 VanDerWaalsContact C-N 3.29Å; I258-Q260 PolarHBondContact O-N 3.11Å; I258-A261 WeakPolarHBondContact O-CB 3.43Å; I258-A261 PolarHBondContact O-N 3.06Å; I258-A261 VanDerWaalsContact O-N 3.09Å; I258-H262 PolarHBondContact O-CD2 3.15Å
259L98Very high98.1Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-61.4-40.7-176.4-56-157.8000112.2L216 L220 I232 I238 L255 L256 A261 H262 V265 F268 Y287L216-L259 HydrophobicContact CD2-CD2 4.15Å; L220-L259 HydrophobicContact CD1-CD2 4.09Å; I232-L259 HydrophobicContact CD1-CD1 3.91Å; I232-L259 HydrophobicContact CD1-CD2 3.19Å; I232-L259 HydrophobicContact CD1-CG 4.17Å; I238-L259 HydrophobicContact CD1-CD1 3.65Å; I238-L259 HydrophobicContact CD1-CG 4.3Å; L255-L259 HydrophobicContact CD1-CD2 3.85Å; L255-L259 HydrophobicContact CD1-CG 4.36Å; L255-L259 HydrophobicContact CG-CD2 4.46Å; L255-L259 HydrophobicContact CG-CG 4.48Å; L255-L259 WeakPolarHBondContact O-CG 3.45Å; L255-L259 PolarHBondContact O-N 3.06Å; L256-L259 PolarHBondContact O-N 3.21Å; L259-A261 PolarHBondContact O-N 3.12Å; L259-H262 PolarHBondContact O-N 2.76Å; L259-V265 HydrophobicContact CB-CG1 4.38Å; L259-V265 HydrophobicContact CD1-CG1 4.38Å; L259-F268 HydrophobicContact CD1-CB 4.42Å; L259-F268 HydrophobicContact CD1-CD2 3.65Å; L259-F268 HydrophobicContact CD1-CE2 4.37Å; L259-F268 HydrophobicContact CD1-CG 4.41Å; L259-Y287 HydrophobicContact CD1-CE1 4.27Å
260Q95.4Very high98.1Very high92 Ų9233.1 Ų33.143%0.4318%0.182SC..Hα-helixtrans-70.3-19.5-179.8-71.3175.9-16.800113.4L256 I258 H262 D281L256-Q260 HydrophobicContact CD1-CG 4.42Å; L256-Q260 WeakPolarHBondContact O-CG 3.47Å; L256-Q260 PolarHBondContact O-N 2.93Å; I258-Q260 VanDerWaalsContact C-N 3.29Å; I258-Q260 PolarHBondContact O-N 3.11Å; Q260-H262 VanDerWaalsContact C-N 3.32Å; Q260-D281 WeakPolarHBondContact CG-OD2 3.44Å; Q260-D281 PolarHBondContact NE2-OD2 3.07Å
261A96.6Very high98.1Very high68 Ų6832.7 Ų32.756%0.56218%0.18SC*.Hα-helixtrans-78.4-16.5175.100000113.1S257 I258 L259S257-A261 PolarHBondContact O-N 2.94Å; I258-A261 WeakPolarHBondContact O-CB 3.43Å; I258-A261 PolarHBondContact O-N 3.06Å; I258-A261 VanDerWaalsContact O-N 3.09Å; L259-A261 PolarHBondContact O-N 3.12Å
262H98.1Very high98.1Very high11 Ų1131.6 Ų31.65%0.05117%0.174CC..  trans-113.8119.1-172.3-71.5-68.3000113E217 L220 S221 D224 I258 L259 Q260 S264 V265E217-H262 IonicContact OE1-CE1 2.8Å; E217-H262 IonicContact OE1-NE2 3.66Å; E217-H262 PolarHBondContact OE1-NE2 3.23Å; E217-H262 IonicContact OE2-NE2 2.64Å; E217-H262 PolarHBondContact OE2-NE2 3.47Å; L220-H262 HydrophobicContact CB-CB 4.06Å; L220-H262 VanDerWaalsContact CB-CD2 3.44Å; L220-H262 WeakPolarHBondContact CB-CD2 3.28Å; L220-H262 VanDerWaalsContact CB-CG 3.49Å; L220-H262 HydrophobicContact CD1-CB 4.21Å; L220-H262 VanDerWaalsContact CD1-CD2 3.45Å; L220-H262 WeakPolarHBondContact CD1-CD2 3.37Å; S221-H262 PolarHBondContact OG-CE1 3.06Å; D224-H262 IonicContact OD2-CE1 3.9Å; D224-H262 IonicContact OD2-CG 3.54Å; D224-H262 IonicContact OD2-ND1 2.7Å; D224-H262 PolarHBondContact OD2-ND1 2.87Å; I258-H262 PolarHBondContact O-CD2 3.15Å; L259-H262 PolarHBondContact O-N 2.76Å; Q260-H262 VanDerWaalsContact C-N 3.32Å; H262-S264 VanDerWaalsContact C-N 3.26Å; H262-S264 PolarHBondContact O-N 3.08Å; H262-V265 HydrophobicContact CB-CG2 4Å; H262-V265 PolarHBondContact O-N 2.82Å
263K96.3Very high98.1Very high192 Ų19230.5 Ų30.584%0.83517%0.171SC*.THydrogen-bonded Turntrans-72.2-20-178.1-63.8-176.2-178.7-179.50113.5D224 V265D224-K263 PolarHBondContact OD1-N 3.05Å; K263-V265 VanDerWaalsContact C-N 3.28Å
264S98.2Very high98.1Very high6 Ų627.2 Ų27.24%0.04215%0.152CC..THydrogen-bonded Turntrans-70.6-2317755.60000112.7D224 E228 R229 V230 H262 V266D224-S264 WeakPolarHBondContact OD1-CA 3.43Å; D224-S264 WeakPolarHBondContact OD1-CB 3.4Å; D224-S264 PolarHBondContact OD1-N 3.22Å; D224-S264 PolarHBondContact OD1-OG 2.83Å; E228-S264 WeakPolarHBondContact O-CA 3.45Å; E228-S264 WeakPolarHBondContact O-CB 3.33Å; R229-S264 CarbonylContact C-O 3.38Å; R229-S264 WeakPolarHBondContact CA-O 3.44Å; V230-S264 PolarHBondContact N-O 3.17Å; H262-S264 VanDerWaalsContact C-N 3.26Å; H262-S264 PolarHBondContact O-N 3.08Å; S264-V266 PolarHBondContact O-N 3.14Å
265V98.6Very high98.1Very high1 Ų129 Ų291%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-72.1124.5179.8-174.70000109.4L220 I232 L259 H262 K263 V285L220-V265 HydrophobicContact CD1-CG2 3.88Å; L220-V265 HydrophobicContact CD2-CG2 3.71Å; L220-V265 HydrophobicContact CG-CG2 4.4Å; I232-V265 HydrophobicContact CD1-CG1 4.19Å; I232-V265 HydrophobicContact CD1-CG2 4.23Å; L259-V265 HydrophobicContact CB-CG1 4.38Å; L259-V265 HydrophobicContact CD1-CG1 4.38Å; H262-V265 HydrophobicContact CB-CG2 4Å; H262-V265 PolarHBondContact O-N 2.82Å; K263-V265 VanDerWaalsContact C-N 3.28Å; V265-V285 HydrophobicContact CB-CG2 4.25Å; V265-V285 HydrophobicContact CG1-CG1 3.93Å; V265-V285 HydrophobicContact CG1-CG2 4.09Å; V265-V285 WeakPolarHBondContact O-CG2 3.03Å
266V98.6Very high98.1Very high3 Ų329.7 Ų29.72%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-117.5-26.3179.4-59.90000112.8R229 V230 S264 H286 M313 Y328R229-V266 HydrophobicContact CB-CG1 4.02Å; R229-V266 HydrophobicContact CB-CG2 4.13Å; R229-V266 HydrophobicContact CG-CG1 3.99Å; V230-V266 WeakPolarHBondContact O-CG2 3.19Å; V230-V266 PolarHBondContact O-N 3.02Å; S264-V266 PolarHBondContact O-N 3.14Å; V266-H286 PolarHBondContact O-CD2 3.15Å; V266-H286 PolarHBondContact O-N 2.89Å; V266-H286 VanDerWaalsContact O-N 3.08Å; V266-M313 HydrophobicContact CG2-CE 3.8Å; V266-Y328 HydrophobicContact CB-CD1 3.7Å; V266-Y328 HydrophobicContact CB-CE1 4.05Å; V266-Y328 HydrophobicContact CG1-CD1 3.85Å; V266-Y328 HydrophobicContact CG1-CE1 4.42Å; V266-Y328 HydrophobicContact CG1-CG 4.26Å; V266-Y328 HydrophobicContact CG2-CD1 3.99Å; V266-Y328 HydrophobicContact CG2-CE1 3.79Å
267C98.7Very high98.1Very high1 Ų129.6 Ų29.61%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-154.6145.7-178.1-170.40000112.3T231 I232 M269 H286 M313T231-C267 CarbonylContact C-O 3.52Å; T231-C267 WeakPolarHBondContact CA-O 3.47Å; T231-C267 HydrophobicContact CG2-CB 4.21Å; I232-C267 PolarHBondContact N-O 3.33Å; C267-M269 HydrophobicContact CB-CE 4.39Å; C267-M269 WeakPolarHBondContact SG-CE 3.35Å; C267-H286 CarbonylContact C-O 3.47Å; C267-H286 WeakPolarHBondContact CA-O 3.2Å; C267-H286 HydrophobicContact CB-CB 4.3Å; C267-H286 PolarHBondContact SG-O 3.45Å; C267-M313 HydrophobicContact CB-CE 4.43Å
268F98.9Very high98.2Very high3 Ų329.7 Ų29.71%0.01316%0.157CC..EExtended strand (participates in β ladder)trans-121.1124.8167.7-171.8-82.1000108.7L155 I232 I238 L255 L259 A270 H286 Y287 L288L155-F268 HydrophobicContact CD1-CE2 4.44Å; I232-F268 HydrophobicContact CB-CD2 3.71Å; I232-F268 HydrophobicContact CB-CE2 4.24Å; I232-F268 HydrophobicContact CG2-CD2 3.52Å; I232-F268 HydrophobicContact CG2-CE2 3.51Å; I232-F268 CarbonylContact O-C 3.57Å; I232-F268 VanDerWaalsContact O-CA 3.29Å; I232-F268 WeakPolarHBondContact O-CA 3.34Å; I238-F268 HydrophobicContact CB-CZ 4.32Å; I238-F268 HydrophobicContact CD1-CD2 3.85Å; I238-F268 HydrophobicContact CD1-CE2 3.71Å; I238-F268 HydrophobicContact CD1-CG 4.31Å; I238-F268 HydrophobicContact CD1-CZ 4.05Å; I238-F268 HydrophobicContact CG1-CD1 4.09Å; I238-F268 HydrophobicContact CG1-CD2 4.17Å; I238-F268 HydrophobicContact CG1-CE1 3.88Å; I238-F268 HydrophobicContact CG1-CE2 3.97Å; I238-F268 HydrophobicContact CG1-CG 4.22Å; I238-F268 HydrophobicContact CG1-CZ 3.8Å; I238-F268 HydrophobicContact CG2-CE1 4.24Å; I238-F268 HydrophobicContact CG2-CE2 4.31Å; I238-F268 HydrophobicContact CG2-CZ 3.72Å; L255-F268 HydrophobicContact CD2-CE2 4.08Å; L259-F268 HydrophobicContact CD1-CB 4.42Å; L259-F268 HydrophobicContact CD1-CD2 3.65Å; L259-F268 HydrophobicContact CD1-CE2 4.37Å; L259-F268 HydrophobicContact CD1-CG 4.41Å; F268-A270 HydrophobicContact CD1-CB 4.48Å; F268-A270 HydrophobicContact CE1-CB 4.02Å; F268-H286 PolarHBondContact N-O 3.23Å; F268-Y287 HydrophobicContact CB-CD1 3.66Å; F268-Y287 HydrophobicContact CB-CE1 4Å; F268-Y287 HydrophobicContact CD1-CD1 4.39Å; F268-Y287 HydrophobicContact CG-CD1 4.16Å; F268-Y287 HydrophobicContact CG-CE1 4.47Å; F268-Y287 WeakPolarHBondContact O-CA 3.21Å; F268-L288 PolarHBondContact O-N 3.06Å
269M98.9Very high98.2Very high1 Ų131.2 Ų31.21%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-117.3131.7-177.7-60.7-176.2179.600110.9F15 I17 L67 T231 I232 V233 S234 C267 L288 M313F15-M269 HydrophobicContact CE2-SD 4.25Å; F15-M269 HydrophobicContact CZ-CE 4.04Å; F15-M269 HydrophobicContact CZ-SD 4.23Å; I17-M269 HydrophobicContact CD1-CB 4.46Å; I17-M269 HydrophobicContact CD1-SD 3.58Å; I17-M269 VanDerWaalsContact CD1-SD 3.58Å; L67-M269 HydrophobicContact CD1-CB 4.44Å; T231-M269 HydrophobicContact CG2-CE 4Å; T231-M269 HydrophobicContact CG2-CG 4.17Å; T231-M269 HydrophobicContact CG2-SD 4.02Å; I232-M269 PolarHBondContact O-N 3.42Å; V233-M269 WeakPolarHBondContact CA-O 3.22Å; S234-M269 PolarHBondContact N-O 3.27Å; C267-M269 HydrophobicContact CB-CE 4.39Å; C267-M269 WeakPolarHBondContact SG-CE 3.35Å; M269-L288 CarbonylContact C-O 3.49Å; M269-L288 VanDerWaalsContact CA-O 3.29Å; M269-L288 WeakPolarHBondContact CA-O 3.26Å; M269-M313 HydrophobicContact CE-SD 3.96Å
270A98.9Very high98.2Very high0 Ų036.6 Ų36.60%018%0.184CC..EExtended strand (participates in β ladder)trans-139.1162.9-178.400000114.4L67 S234 P237 F268 L288 T289 L290L67-A270 VanDerWaalsContact CD1-C 3.44Å; L67-A270 WeakPolarHBondContact CD1-O 3.27Å; S234-A270 WeakPolarHBondContact O-CA 3.45Å; P237-A270 HydrophobicContact CB-CB 3.92Å; F268-A270 HydrophobicContact CD1-CB 4.48Å; F268-A270 HydrophobicContact CE1-CB 4.02Å; A270-L288 PolarHBondContact N-O 2.81Å; A270-T289 HydrophobicContact CB-CG2 4.42Å; A270-T289 CarbonylContact O-C 3.56Å; A270-T289 WeakPolarHBondContact O-CA 3.49Å; A270-L290 WeakPolarHBondContact O-CD1 3.34Å; A270-L290 PolarHBondContact O-N 2.81Å
271G98.8Very high98.3Very high0 Ų032.7 Ų32.70%017%0.166CC..  trans-112.9-132.8169.500000110D20 H235 D273 T289D20-G271 WeakPolarHBondContact OD2-CA 3.29Å; H235-G271 CarbonylContact O-C 3.47Å; H235-G271 PolarHBondContact O-N 3.43Å; H235-G271 VanDerWaalsContact O-N 3.1Å; G271-D273 PolarHBondContact O-N 2.9Å; G271-T289 WeakPolarHBondContact O-CG2 3.45Å
272H98.7Very high98.2Very high15 Ų1538 Ų387%0.06919%0.185CC..SBendtrans70.1-50.3171.3-168.771.8000115.1D20 N105 F204 N205 H235 L236 H274D20-H272 PolarHBondContact OD1-N 3.19Å; D20-H272 PolarHBondContact OD2-N 3.09Å; N105-H272 PolarHBondContact OD1-CE1 2.78Å; N105-H272 PolarHBondContact OD1-ND1 3.28Å; F204-H272 AromaticContact CD2-CE1 3.82Å; F204-H272 AromaticContact CD2-NE2 3.72Å; F204-H272 AromaticContact CE2-NE2 3.93Å; N205-H272 PolarHBondContact OD1-NE2 2.71Å; N205-H272 VanDerWaalsContact OD1-NE2 3.12Å; H235-H272 AromaticContact CD2-CG 3.92Å; H235-H272 AromaticContact CD2-ND1 3.55Å; H235-H272 WeakPolarHBondContact NE2-CB 3.44Å; H235-H272 AromaticContact NE2-CG 3.57Å; H235-H272 AromaticContact NE2-ND1 3.01Å; H235-H272 PolarHBondContact NE2-ND1 3.01Å; H235-H272 WeakPolarHBondContact O-CB 3.44Å; L236-H272 HydrophobicContact CD2-CB 4.07Å; L236-H272 WeakPolarHBondContact CD2-CD2 3.42Å; L236-H272 VanDerWaalsContact CD2-CG 3.45Å; H272-H274 PolarHBondContact O-CD2 3.18Å; H272-H274 VanDerWaalsContact O-CD2 3.27Å; H272-H274 PolarHBondContact O-N 2.95Å
273D98.5Very high97.9Very high14 Ų1440.1 Ų40.18%0.07520%0.201CC..  trans-83.796.8171-175.1-6.3000109.9T243 D244 C247 G271 D275 G276 T289T243-D273 VanDerWaalsContact CA-OD2 3.28Å; T243-D273 WeakPolarHBondContact CA-OD2 3.15Å; T243-D273 WeakPolarHBondContact OG1-CB 3.32Å; T243-D273 PolarHBondContact OG1-OD2 2.82Å; D244-D273 PolarHBondContact N-OD2 3.16Å; C247-D273 HydrophobicContact CB-CB 3.91Å; G271-D273 PolarHBondContact O-N 2.9Å; D273-D275 PolarHBondContact O-N 2.69Å; D273-D275 VanDerWaalsContact O-N 3.1Å; D273-D275 PolarHBondContact OD1-N 2.91Å; D273-G276 PolarHBondContact O-N 3.14Å; D273-T289 HydrophobicContact CB-CG2 3.84Å
274H98.6Very high97.9Very high11 Ų1131.1 Ų31.15%0.05116%0.163CC..THydrogen-bonded Turntrans-64.1-17.2-174.2-57.9169.2000114.1D20 Q22 R38 H272 G276 G292 I294 E295 R320D20-H274 IonicContact OD1-CD2 2.72Å; D20-H274 IonicContact OD1-NE2 3Å; D20-H274 PolarHBondContact OD1-NE2 2.9Å; Q22-H274 PolarHBondContact NE2-NE2 2.98Å; R38-H274 PolarHBondContact NH2-CE1 2.89Å; H272-H274 PolarHBondContact O-CD2 3.18Å; H272-H274 VanDerWaalsContact O-CD2 3.27Å; H272-H274 PolarHBondContact O-N 2.95Å; H274-G276 VanDerWaalsContact C-N 3.27Å; H274-G292 PolarHBondContact O-N 3.37Å; H274-I294 WeakPolarHBondContact CE1-CG2 3.46Å; H274-E295 HydrophobicContact CB-CB 4.25Å; H274-E295 HydrophobicContact CB-CG 4.15Å; H274-E295 WeakPolarHBondContact CB-OE2 3.28Å; H274-E295 IonicContact CE1-OE1 3.03Å; H274-E295 IonicContact CG-OE1 3.28Å; H274-E295 IonicContact ND1-OE1 2.72Å; H274-E295 PolarHBondContact ND1-OE1 2.86Å; H274-E295 IonicContact ND1-OE2 3.69Å; H274-R320 PolarHBondContact O-NH1 2.85Å; H274-R320 VanDerWaalsContact O-NH1 3.11Å; H274-R320 PolarHBondContact O-NH2 3.05Å
275D98.2Very high97.9Very high74 Ų7431 Ų3140%0.39616%0.162SC..THydrogen-bonded Turntrans-75.8-19.2174.3-80-15.6000111.6R36 D273R36-D275 IonicContact CZ-OD1 3.45Å; R36-D275 IonicContact CZ-OD2 3.33Å; R36-D275 IonicContact NE-OD1 3.87Å; R36-D275 PolarHBondContact NE-OD1 3.45Å; R36-D275 IonicContact NE-OD2 3.8Å; R36-D275 PolarHBondContact NE-OD2 2.92Å; R36-D275 IonicContact NH2-OD1 3.35Å; R36-D275 IonicContact NH2-OD2 3.68Å; R36-D275 PolarHBondContact NH2-OD2 2.86Å; D273-D275 PolarHBondContact O-N 2.69Å; D273-D275 VanDerWaalsContact O-N 3.1Å; D273-D275 PolarHBondContact OD1-N 2.91Å
276G98.4Very high97.9Very high15 Ų1531.1 Ų31.116%0.15516%0.162CC..  trans74.9175.3-177.600000113.1D273 H274 T289D273-G276 PolarHBondContact O-N 3.14Å; H274-G276 VanDerWaalsContact C-N 3.27Å; G276-T289 CarbonylContact C-O 3.56Å; G276-T289 WeakPolarHBondContact CA-O 3.35Å
277G98.5Very high97.9Very high16 Ų1631 Ų3117%0.16516%0.162CC..EExtended strand (participates in β ladder)trans178.3162178.600000113.5S242 T289S242-G277 CarbonylContact O-C 3.52Å; S242-G277 VanDerWaalsContact O-CA 3.28Å; S242-G277 WeakPolarHBondContact O-CA 3.33Å; G277-T289 PolarHBondContact N-O 2.89Å; G277-T289 PolarHBondContact O-N 2.89Å; G277-T289 VanDerWaalsContact O-O 3.14Å
278Y98.8Very high97.9Very high76 Ų7631.1 Ų31.130%0.29816%0.162SC..EExtended strand (participates in β ladder)trans-150.6136.7-178.1169.6-101000111.7H286 Y287 L288 L326Y278-H286 HydrophobicContact CE2-CB 4.34Å; Y278-H286 AromaticContact CE2-ND1 3.61Å; Y278-H286 AromaticContact CZ-ND1 3.63Å; Y278-H286 PolarHBondContact OH-CE1 3.47Å; Y278-H286 PolarHBondContact OH-ND1 2.53Å; Y278-Y287 CarbonylContact C-O 3.51Å; Y278-Y287 VanDerWaalsContact CA-O 3.31Å; Y278-Y287 WeakPolarHBondContact CA-O 3.25Å; Y278-Y287 WeakPolarHBondContact CD2-O 3.39Å; Y278-L288 HydrophobicContact CD2-CD1 4.26Å; Y278-L326 HydrophobicContact CE2-CD2 3.67Å
279H98.6Very high97.9Very high56 Ų5631 Ų3126%0.25916%0.162SC..EExtended strand (participates in β ladder)trans-144.2151.1170.5-171.167.5000111H239 S241 Y287H239-H279 AromaticContact CD2-CD2 3.9Å; H239-H279 AromaticContact CE1-CD2 3Å; H239-H279 PolarHBondContact CE1-CD2 3.09Å; H239-H279 AromaticContact CE1-CG 3.76Å; H239-H279 AromaticContact CE1-NE2 3.34Å; H239-H279 PolarHBondContact CE1-NE2 3.01Å; H239-H279 VanDerWaalsContact CE1-NE2 3.34Å; H239-H279 AromaticContact CG-CD2 3.95Å; H239-H279 AromaticContact ND1-CD2 3.39Å; H239-H279 PolarHBondContact ND1-CD2 3.02Å; H239-H279 AromaticContact ND1-CG 3.8Å; H239-H279 AromaticContact NE2-CD2 3.33Å; H239-H279 PolarHBondContact NE2-CD2 3.32Å; H239-H279 VanDerWaalsContact NE2-CD2 3.33Å; H239-H279 AromaticContact NE2-NE2 3.67Å; S241-H279 WeakPolarHBondContact CB-ND1 3.44Å; H279-Y287 PolarHBondContact N-O 3.19Å; H279-Y287 PolarHBondContact O-N 3.24Å
280R98.3Very high97.9Very high114 Ų11431 Ų3143%0.4316%0.162SC..EExtended strand (participates in β ladder)trans-121.8122.7164.3-176.4-171.2-175.4-160.9-3.9106.9G284 V285R280-G284 PolarHBondContact NE-O 3.41Å; R280-V285 WeakPolarHBondContact CA-O 3.41Å
281D96.6Very high97.9Very high9 Ų931.9 Ų31.95%0.04817%0.166CC..  trans-83.3176.1-17979.51.3000112.3Q260 S283 G284 V285 Y287Q260-D281 WeakPolarHBondContact CG-OD2 3.44Å; Q260-D281 PolarHBondContact NE2-OD2 3.07Å; D281-S283 VanDerWaalsContact CG-OG 3.25Å; D281-S283 PolarHBondContact O-N 3.12Å; D281-S283 WeakPolarHBondContact OD1-CA 3.33Å; D281-S283 WeakPolarHBondContact OD1-CB 3.36Å; D281-S283 PolarHBondContact OD1-N 2.83Å; D281-S283 PolarHBondContact OD1-OG 3.16Å; D281-S283 PolarHBondContact OD2-OG 3.42Å; D281-G284 WeakPolarHBondContact O-CA 3.08Å; D281-G284 PolarHBondContact O-N 3.48Å; D281-G284 PolarHBondContact OD1-N 3.28Å; D281-V285 PolarHBondContact N-O 2.95Å; D281-V285 VanDerWaalsContact N-O 3.07Å; D281-V285 PolarHBondContact OD1-N 3.38Å; D281-Y287 HydrophobicContact CB-CE2 3.9Å; D281-Y287 PolarHBondContact OD2-OH 3.46Å
282D94.4Very high97.9Very high180 Ų18031.9 Ų31.996%0.96317%0.166SC*.THydrogen-bonded Turntrans-68.2-20.5-177.5-67.3-24.9000113.3G284D282-G284 PolarHBondContact O-N 3.31Å
283S92.7Very high97.9Very high55 Ų5531.2 Ų31.239%0.38516%0.163SC..THydrogen-bonded Turntrans-77.2-12.5172.179.50000112.2D281 V285D281-S283 VanDerWaalsContact CG-OG 3.25Å; D281-S283 PolarHBondContact O-N 3.12Å; D281-S283 WeakPolarHBondContact OD1-CA 3.33Å; D281-S283 WeakPolarHBondContact OD1-CB 3.36Å; D281-S283 PolarHBondContact OD1-N 2.83Å; D281-S283 PolarHBondContact OD1-OG 3.16Å; D281-S283 PolarHBondContact OD2-OG 3.42Å; S283-V285 WeakPolarHBondContact OG-CG2 3.18Å
284G95.4Very high97.9Very high4 Ų430.6 Ų30.64%0.04116%0.16CC..  trans933.617900000114.1R280 D281 D282R280-G284 PolarHBondContact NE-O 3.41Å; D281-G284 WeakPolarHBondContact O-CA 3.08Å; D281-G284 PolarHBondContact O-N 3.48Å; D281-G284 PolarHBondContact OD1-N 3.28Å; D282-G284 PolarHBondContact O-N 3.31Å
285V98.3Very high97.9Very high3 Ų331 Ų312%0.01816%0.162CC..  trans-71.6134.5177.4178.30000110V265 R280 D281 S283 Y287V265-V285 HydrophobicContact CB-CG2 4.25Å; V265-V285 HydrophobicContact CG1-CG1 3.93Å; V265-V285 HydrophobicContact CG1-CG2 4.09Å; V265-V285 WeakPolarHBondContact O-CG2 3.03Å; R280-V285 WeakPolarHBondContact CA-O 3.41Å; D281-V285 PolarHBondContact N-O 2.95Å; D281-V285 VanDerWaalsContact N-O 3.07Å; D281-V285 PolarHBondContact OD1-N 3.38Å; S283-V285 WeakPolarHBondContact OG-CG2 3.18Å; V285-Y287 HydrophobicContact CB-CE2 3.88Å; V285-Y287 HydrophobicContact CG1-CD2 4.4Å; V285-Y287 HydrophobicContact CG1-CE1 4.21Å; V285-Y287 HydrophobicContact CG1-CE2 3.75Å
286H98.8Very high97.9Very high3 Ų327.5 Ų27.51%0.01414%0.143CC..EExtended strand (participates in β ladder)trans-92.5123.1176.2-68.3-84.5000111.8V266 C267 F268 Y278 L326 M327V266-H286 PolarHBondContact O-CD2 3.15Å; V266-H286 PolarHBondContact O-N 2.89Å; V266-H286 VanDerWaalsContact O-N 3.08Å; C267-H286 CarbonylContact C-O 3.47Å; C267-H286 WeakPolarHBondContact CA-O 3.2Å; C267-H286 HydrophobicContact CB-CB 4.3Å; C267-H286 PolarHBondContact SG-O 3.45Å; F268-H286 PolarHBondContact N-O 3.23Å; Y278-H286 HydrophobicContact CE2-CB 4.34Å; Y278-H286 AromaticContact CE2-ND1 3.61Å; Y278-H286 AromaticContact CZ-ND1 3.63Å; Y278-H286 PolarHBondContact OH-CE1 3.47Å; Y278-H286 PolarHBondContact OH-ND1 2.53Å; H286-L326 HydrophobicContact CB-CB 4.49Å; H286-L326 HydrophobicContact CB-CD1 4.44Å; H286-L326 HydrophobicContact CB-CD2 4.2Å; H286-L326 WeakPolarHBondContact NE2-CA 3.49Å; H286-M327 PolarHBondContact NE2-N 3.05Å; H286-M327 PolarHBondContact NE2-O 3.07Å
287Y98.8Very high97.9Very high0 Ų028.5 Ų28.50%015%0.147CC..EExtended strand (participates in β ladder)trans-105116.5172.7-58-91.4000108.9I238 H239 L256 L259 F268 Y278 H279 D281 V285I238-Y287 HydrophobicContact CD1-CE1 4.06Å; I238-Y287 HydrophobicContact CG1-CD1 4.19Å; I238-Y287 HydrophobicContact CG1-CE1 4.07Å; H239-Y287 HydrophobicContact CB-CD1 3.52Å; H239-Y287 HydrophobicContact CB-CD2 3.94Å; H239-Y287 HydrophobicContact CB-CE1 4.08Å; H239-Y287 HydrophobicContact CB-CE2 4.46Å; H239-Y287 HydrophobicContact CB-CG 3.45Å; H239-Y287 VanDerWaalsContact CB-CG 3.45Å; H239-Y287 AromaticContact CD2-CD2 3.72Å; H239-Y287 AromaticContact CD2-CE2 3.63Å; H239-Y287 AromaticContact CD2-CZ 3.96Å; H239-Y287 AromaticContact CG-CD2 3.87Å; H239-Y287 AromaticContact CG-CG 3.92Å; L256-Y287 HydrophobicContact CD1-CE1 3.78Å; L256-Y287 HydrophobicContact CD1-CE2 4.4Å; L256-Y287 WeakPolarHBondContact CD1-OH 3.46Å; L259-Y287 HydrophobicContact CD1-CE1 4.27Å; F268-Y287 HydrophobicContact CB-CD1 3.66Å; F268-Y287 HydrophobicContact CB-CE1 4Å; F268-Y287 HydrophobicContact CD1-CD1 4.39Å; F268-Y287 HydrophobicContact CG-CD1 4.16Å; F268-Y287 HydrophobicContact CG-CE1 4.47Å; F268-Y287 WeakPolarHBondContact O-CA 3.21Å; Y278-Y287 CarbonylContact C-O 3.51Å; Y278-Y287 VanDerWaalsContact CA-O 3.31Å; Y278-Y287 WeakPolarHBondContact CA-O 3.25Å; Y278-Y287 WeakPolarHBondContact CD2-O 3.39Å; H279-Y287 PolarHBondContact N-O 3.19Å; H279-Y287 PolarHBondContact O-N 3.24Å; D281-Y287 HydrophobicContact CB-CE2 3.9Å; D281-Y287 PolarHBondContact OD2-OH 3.46Å; V285-Y287 HydrophobicContact CB-CE2 3.88Å; V285-Y287 HydrophobicContact CG1-CD2 4.4Å; V285-Y287 HydrophobicContact CG1-CE1 4.21Å; V285-Y287 HydrophobicContact CG1-CE2 3.75Å
288L98.8Very high97.8Very high5 Ų530.7 Ų30.73%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-124114.5-176.4179.467.9000109.8F268 M269 A270 Y278 L290 L315F268-L288 PolarHBondContact O-N 3.06Å; M269-L288 CarbonylContact C-O 3.49Å; M269-L288 VanDerWaalsContact CA-O 3.29Å; M269-L288 WeakPolarHBondContact CA-O 3.26Å; A270-L288 PolarHBondContact N-O 2.81Å; Y278-L288 HydrophobicContact CD2-CD1 4.26Å; L288-L290 HydrophobicContact CD2-CD1 4.05Å; L288-L290 HydrophobicContact CG-CD1 3.92Å; L288-L315 HydrophobicContact CD2-CD2 3.84Å
289T98.9Very high97.7Very high1 Ų134 Ų341%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-103.9126.3172-44.80000108.6P237 S242 A270 G271 D273 G276 G277P237-T289 HydrophobicContact CB-CG2 4.25Å; P237-T289 HydrophobicContact CG-CG2 4.27Å; S242-T289 VanDerWaalsContact O-CB 3.27Å; S242-T289 WeakPolarHBondContact O-CB 3.32Å; S242-T289 PolarHBondContact O-OG1 2.96Å; A270-T289 HydrophobicContact CB-CG2 4.42Å; A270-T289 CarbonylContact O-C 3.56Å; A270-T289 WeakPolarHBondContact O-CA 3.49Å; G271-T289 WeakPolarHBondContact O-CG2 3.45Å; D273-T289 HydrophobicContact CB-CG2 3.84Å; G276-T289 CarbonylContact C-O 3.56Å; G276-T289 WeakPolarHBondContact CA-O 3.35Å; G277-T289 PolarHBondContact N-O 2.89Å; G277-T289 PolarHBondContact O-N 2.89Å; G277-T289 VanDerWaalsContact O-O 3.14Å
290L98.8Very high97.6Very high0 Ų032.6 Ų32.60%018%0.177CC..PPolyproline II helixtrans-86.4140.2-170.6-83.569.4000111.4I17 A19 L67 A270 L288 G292 M321I17-L290 HydrophobicContact CB-CD2 4.29Å; I17-L290 HydrophobicContact CD1-CD1 4Å; I17-L290 HydrophobicContact CD1-CD2 3.6Å; I17-L290 HydrophobicContact CD1-CG 4.42Å; I17-L290 HydrophobicContact CG1-CD2 3.45Å; I17-L290 VanDerWaalsContact CG1-CD2 3.45Å; I17-L290 HydrophobicContact CG2-CD2 4.1Å; A19-L290 HydrophobicContact CB-CB 3.66Å; A19-L290 HydrophobicContact CB-CD2 4.14Å; L67-L290 HydrophobicContact CD1-CB 4.46Å; L67-L290 HydrophobicContact CD1-CD1 3.65Å; L67-L290 HydrophobicContact CD1-CD2 3.8Å; L67-L290 HydrophobicContact CD1-CG 4.16Å; L67-L290 HydrophobicContact CG-CD2 4.43Å; A270-L290 WeakPolarHBondContact O-CD1 3.34Å; A270-L290 PolarHBondContact O-N 2.81Å; L288-L290 HydrophobicContact CD2-CD1 4.05Å; L288-L290 HydrophobicContact CG-CD1 3.92Å; L290-G292 PolarHBondContact O-N 3.2Å; L290-M321 HydrophobicContact CB-CE 4.07Å; L290-M321 HydrophobicContact CD2-CE 3.59Å; L290-M321 HydrophobicContact CG-CE 3.64Å
291E98.8Very high97.6Very high18 Ų1829 Ų298%0.08417%0.167CC..PPolyproline II helixtrans-62.2130.9170-61.881.2-178.900110.3R320 M321E291-R320 HydrophobicContact CB-CB 3.98Å; E291-R320 HydrophobicContact CG-CB 4.05Å; E291-M321 WeakPolarHBondContact OE2-CA 3.39Å
292G98.7Very high97.7Very high0 Ų028.6 Ų28.60%017%0.165CC..PPolyproline II helixtrans-76.4134.3-174.900000113H274 L290 I294 E295 T296 R320H274-G292 PolarHBondContact O-N 3.37Å; L290-G292 PolarHBondContact O-N 3.2Å; G292-I294 VanDerWaalsContact C-N 3.28Å; G292-I294 PolarHBondContact O-N 3.22Å; G292-E295 PolarHBondContact O-N 3.23Å; G292-T296 PolarHBondContact O-OG1 3.46Å; G292-R320 PolarHBondContact O-NH1 3.42Å; G292-R320 VanDerWaalsContact O-NH1 3.13Å
293V98.9Very high97.9Very high2 Ų220.2 Ų20.21%0.01212%0.12CC..G310 helixtrans-60-39.6177170.90000111.3I18 A19 D20 I21 L46 E295 T296 A302I18-V293 HydrophobicContact CD1-CG2 3.78Å; I18-V293 HydrophobicContact CG1-CG2 3.53Å; A19-V293 WeakPolarHBondContact O-CG2 3.49Å; A19-V293 PolarHBondContact O-N 3.17Å; A19-V293 VanDerWaalsContact O-N 3.09Å; D20-V293 PolarHBondContact O-N 3.36Å; I21-V293 HydrophobicContact CG1-CG2 4.47Å; L46-V293 HydrophobicContact CB-CG1 3.81Å; L46-V293 HydrophobicContact CD1-CG1 3.88Å; L46-V293 HydrophobicContact CG-CG1 4.4Å; V293-E295 VanDerWaalsContact C-N 3.29Å; V293-E295 PolarHBondContact O-N 2.76Å; V293-T296 WeakPolarHBondContact O-CB 3.49Å; V293-T296 PolarHBondContact O-N 2.92Å; V293-T296 PolarHBondContact O-OG1 2.74Å; V293-A302 HydrophobicContact CG2-CB 4.24Å; V293-A302 VanDerWaalsContact CG2-O 3.27Å; V293-A302 WeakPolarHBondContact CG2-O 3.48Å
294I98.8Very high98.2Very high0 Ų017.6 Ų17.60%010%0.101CC..G310 helixtrans-60.4-31.2-176.4-174.557.9000114.9D20 Q22 R38 Y39 Y40 H274 G292 T296D20-I294 HydrophobicContact CB-CG2 4.24Å; D20-I294 WeakPolarHBondContact O-CB 3.5Å; D20-I294 WeakPolarHBondContact O-CG2 3.35Å; D20-I294 PolarHBondContact O-N 2.83Å; Q22-I294 HydrophobicContact CB-CB 3.86Å; Q22-I294 HydrophobicContact CB-CD1 4.03Å; Q22-I294 HydrophobicContact CB-CG1 3.78Å; Q22-I294 HydrophobicContact CB-CG2 4.32Å; Q22-I294 HydrophobicContact CG-CB 4.38Å; Q22-I294 HydrophobicContact CG-CG2 4.3Å; R38-I294 CarbonylContact C-O 3.28Å; R38-I294 WeakPolarHBondContact CA-O 3.19Å; R38-I294 HydrophobicContact CB-CD1 4.12Å; R38-I294 HydrophobicContact CB-CG1 3.9Å; R38-I294 HydrophobicContact CG-CG1 3.97Å; Y39-I294 PolarHBondContact N-O 3.13Å; Y40-I294 HydrophobicContact CD1-CD1 3.6Å; Y40-I294 HydrophobicContact CE1-CD1 4.01Å; Y40-I294 HydrophobicContact CG-CD1 4.16Å; H274-I294 WeakPolarHBondContact CE1-CG2 3.46Å; G292-I294 VanDerWaalsContact C-N 3.28Å; G292-I294 PolarHBondContact O-N 3.22Å; I294-T296 VanDerWaalsContact C-N 3.33Å
295E98.6Very high98.3Very high21 Ų2117.7 Ų17.710%0.09810%0.101CC..G310 helixtrans-96.211.6177.3-68.8-177.5-171.200112.7R36 R38 H274 G292 V293R36-E295 VanDerWaalsContact CB-CD 3.45Å; R36-E295 HydrophobicContact CB-CG 4.23Å; R36-E295 WeakPolarHBondContact CB-OE2 3.16Å; R36-E295 VanDerWaalsContact CG-OE2 3.22Å; R36-E295 WeakPolarHBondContact CG-OE2 3.34Å; R38-E295 HydrophobicContact CG-CG 3.97Å; R38-E295 IonicContact NE-OE1 3.56Å; H274-E295 HydrophobicContact CB-CB 4.25Å; H274-E295 HydrophobicContact CB-CG 4.15Å; H274-E295 WeakPolarHBondContact CB-OE2 3.28Å; H274-E295 IonicContact CE1-OE1 3.03Å; H274-E295 IonicContact CG-OE1 3.28Å; H274-E295 IonicContact ND1-OE1 2.72Å; H274-E295 PolarHBondContact ND1-OE1 2.86Å; H274-E295 IonicContact ND1-OE2 3.69Å; G292-E295 PolarHBondContact O-N 3.23Å; V293-E295 VanDerWaalsContact C-N 3.29Å; V293-E295 PolarHBondContact O-N 2.76Å
296T98.6Very high98.3Very high0 Ų017.6 Ų17.60%010%0.1CC..  trans-93.3124.2-179.4-57.70000111.2Y39 N42 L46 G292 V293 I294 D301 A302 R320Y39-T296 VanDerWaalsContact CD2-O 3.26Å; Y39-T296 WeakPolarHBondContact CD2-O 3.43Å; N42-T296 PolarHBondContact ND2-O 3.13Å; L46-T296 HydrophobicContact CD1-CG2 3.72Å; G292-T296 PolarHBondContact O-OG1 3.46Å; V293-T296 WeakPolarHBondContact O-CB 3.49Å; V293-T296 PolarHBondContact O-N 2.92Å; V293-T296 PolarHBondContact O-OG1 2.74Å; I294-T296 VanDerWaalsContact C-N 3.33Å; T296-D301 WeakPolarHBondContact CG2-O 3.13Å; T296-A302 HydrophobicContact CG2-CB 4.27Å; T296-A302 WeakPolarHBondContact OG1-CB 3.46Å; T296-R320 HydrophobicContact CG2-CG 4.29Å; T296-R320 VanDerWaalsContact OG1-CD 3.3Å; T296-R320 WeakPolarHBondContact OG1-CD 3.35Å; T296-R320 PolarHBondContact OG1-NH1 2.97Å
297P97.7Very high98.3Very high36 Ų3618.5 Ų18.523%0.23411%0.107CC..  trans-70.1162.3-177.730.8-36.7000112.6Y39 D299 S300Y39-P297 HydrophobicContact CE2-CB 4.09Å; P297-D299 WeakPolarHBondContact CB-OD1 3.48Å; P297-D299 WeakPolarHBondContact CG-OD1 3.3Å; P297-D299 PolarHBondContact O-N 2.91Å; P297-D299 VanDerWaalsContact O-N 3.09Å; P297-S300 PolarHBondContact O-N 3.34Å; P297-S300 VanDerWaalsContact O-N 3.1Å
298P96Very high98.2Very high62 Ų6218.5 Ų18.540%0.40311%0.107SC..THydrogen-bonded Turntrans-62.9-16.6-175.2-25.735.2000116.6Y39 R45Y39-P298 HydrophobicContact CD1-CG 4.38Å; R45-P298 PolarHBondContact NH1-O 3.1Å; R45-P298 VanDerWaalsContact NH2-C 3.25Å; R45-P298 PolarHBondContact NH2-O 2.69Å
299D96.5Very high98.2Very high146 Ų14619.8 Ų19.878%0.78111%0.112SC*.THydrogen-bonded Turntrans-94.87.7178.161-21.2000113.7P297P297-D299 WeakPolarHBondContact CB-OD1 3.48Å; P297-D299 WeakPolarHBondContact CG-OD1 3.3Å; P297-D299 PolarHBondContact O-N 2.91Å; P297-D299 VanDerWaalsContact O-N 3.09Å
300S98Very high98Very high26 Ų2626.7 Ų26.718%0.18214%0.144CC..  trans-130.4177.3177.5-174.90000111.2L46 P297L46-S300 WeakPolarHBondContact CD2-O 3.33Å; P297-S300 PolarHBondContact O-N 3.34Å; P297-S300 VanDerWaalsContact O-N 3.1Å
301D98.4Very high97.9Very high39 Ų3930 Ų3021%0.20916%0.161CC..  trans-131.4171.6170.2-67.8-68.5000110.6L46 N49 T296 F303 Y318 G319 R320L46-D301 WeakPolarHBondContact CD2-OD1 3.27Å; N49-D301 WeakPolarHBondContact CB-OD1 3.4Å; N49-D301 PolarHBondContact ND2-OD1 3.47Å; T296-D301 WeakPolarHBondContact CG2-O 3.13Å; D301-F303 HydrophobicContact CB-CD1 3.96Å; D301-F303 HydrophobicContact CB-CE1 3.78Å; D301-Y318 CarbonylContact C-O 3.57Å; D301-Y318 VanDerWaalsContact C-O 3.28Å; D301-G319 CarbonylContact O-C 3.59Å; D301-G319 VanDerWaalsContact O-CA 3.27Å; D301-G319 WeakPolarHBondContact O-CA 3.5Å; D301-R320 PolarHBondContact O-N 3.14Å
302A98.4Very high97.9Very high0 Ų031.1 Ų31.10%017%0.165CC..EExtended strand (participates in β ladder)trans-15476.6174.400000110.9V293 T296V293-A302 HydrophobicContact CG2-CB 4.24Å; V293-A302 VanDerWaalsContact CG2-O 3.27Å; V293-A302 WeakPolarHBondContact CG2-O 3.48Å; T296-A302 HydrophobicContact CG2-CB 4.27Å; T296-A302 WeakPolarHBondContact OG1-CB 3.46Å
303F98.6Very high97.9Very high4 Ų431.1 Ų31.12%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-156.4173.1175.571.2-84.4000109.4I17 I18 A50 R53 W54 D301 Y318 M321I17-F303 WeakPolarHBondContact O-CA 3.21Å; I18-F303 HydrophobicContact CB-CB 4.22Å; I18-F303 HydrophobicContact CD1-CB 4.1Å; I18-F303 HydrophobicContact CG1-CB 4.03Å; A50-F303 HydrophobicContact CB-CB 4.04Å; A50-F303 HydrophobicContact CB-CD1 3.67Å; A50-F303 HydrophobicContact CB-CD2 3.59Å; A50-F303 HydrophobicContact CB-CE1 3.98Å; A50-F303 HydrophobicContact CB-CE2 3.92Å; A50-F303 HydrophobicContact CB-CG 3.48Å; A50-F303 VanDerWaalsContact CB-CG 3.48Å; A50-F303 HydrophobicContact CB-CZ 4.12Å; R53-F303 HydrophobicContact CB-CE2 3.78Å; R53-F303 HydrophobicContact CB-CZ 3.68Å; R53-F303 HydrophobicContact CG-CE2 3.93Å; R53-F303 HydrophobicContact CG-CZ 3.93Å; W54-F303 AromaticContact CE2-CD2 3.93Å; W54-F303 HydrophobicContact CZ2-CB 4.33Å; W54-F303 AromaticContact CZ2-CD2 3.9Å; W54-F303 HydrophobicContact CZ2-CD2 3.9Å; W54-F303 HydrophobicContact CZ2-CG 4.5Å; W54-F303 AromaticContact NE1-CD2 3.89Å; D301-F303 HydrophobicContact CB-CD1 3.96Å; D301-F303 HydrophobicContact CB-CE1 3.78Å; F303-Y318 AromaticContact CD2-CD2 3.76Å; F303-Y318 HydrophobicContact CD2-CD2 3.76Å; F303-Y318 HydrophobicContact CD2-CE2 4.44Å; F303-Y318 HydrophobicContact CD2-CG 4.48Å; F303-Y318 HydrophobicContact CE1-CD2 4.25Å; F303-Y318 HydrophobicContact CE1-CG 4.04Å; F303-Y318 AromaticContact CE2-CD2 3.24Å; F303-Y318 HydrophobicContact CE2-CD2 3.24Å; F303-Y318 AromaticContact CE2-CE2 3.74Å; F303-Y318 HydrophobicContact CE2-CE2 3.74Å; F303-Y318 AromaticContact CE2-CG 3.83Å; F303-Y318 HydrophobicContact CE2-CG 3.83Å; F303-Y318 HydrophobicContact CG-CD2 4.43Å; F303-Y318 HydrophobicContact CZ-CD1 4.29Å; F303-Y318 AromaticContact CZ-CD2 3.51Å; F303-Y318 HydrophobicContact CZ-CD2 3.51Å; F303-Y318 HydrophobicContact CZ-CE2 4.21Å; F303-Y318 AromaticContact CZ-CG 3.56Å; F303-Y318 HydrophobicContact CZ-CG 3.56Å; F303-Y318 PolarHBondContact O-N 3.49Å; F303-M321 VanDerWaalsContact C-SD 3.56Å
304G97.6Very high97.8Very high0 Ų033.7 Ų33.70%018%0.176CC..EExtended strand (participates in β ladder)trans-149.7170.5177.700000115.1I17 W54 K316I17-G304 PolarHBondContact N-O 3.36Å; I17-G304 PolarHBondContact O-N 3.32Å; W54-G304 PolarHBondContact NE1-O 2.82Å; G304-K316 CarbonylContact C-O 3.51Å; G304-K316 WeakPolarHBondContact CA-O 3.43Å
305T98Very high97.8Very high6 Ų633.7 Ų33.74%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-119.5123.9165.6-53.60000107.8W54 K316W54-T305 VanDerWaalsContact CD1-OG1 3.3Å; W54-T305 PolarHBondContact NE1-OG1 3.19Å; T305-K316 PolarHBondContact N-O 3.36Å; T305-K316 PolarHBondContact O-N 3.14Å
306V98.4Very high97.8Very high1 Ų136.5 Ų36.51%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-100.6123.9175.9-177.30000109.5T14 F15 I17 V308 M313 F314 L315T14-V306 CarbonylContact C-O 3.54Å; T14-V306 WeakPolarHBondContact CA-O 3.4Å; T14-V306 WeakPolarHBondContact CB-O 3.31Å; F15-V306 HydrophobicContact CD1-CB 3.97Å; F15-V306 HydrophobicContact CD1-CG1 4.3Å; F15-V306 HydrophobicContact CD2-CB 4.12Å; F15-V306 HydrophobicContact CD2-CG2 4.31Å; F15-V306 HydrophobicContact CE1-CB 3.52Å; F15-V306 HydrophobicContact CE1-CG1 3.48Å; F15-V306 VanDerWaalsContact CE1-CG1 3.48Å; F15-V306 HydrophobicContact CE1-CG2 4.32Å; F15-V306 HydrophobicContact CE2-CB 3.68Å; F15-V306 HydrophobicContact CE2-CG1 4.29Å; F15-V306 HydrophobicContact CE2-CG2 3.63Å; F15-V306 HydrophobicContact CG-CB 4.26Å; F15-V306 HydrophobicContact CZ-CB 3.38Å; F15-V306 HydrophobicContact CZ-CG1 3.49Å; F15-V306 VanDerWaalsContact CZ-CG1 3.49Å; F15-V306 HydrophobicContact CZ-CG2 3.65Å; F15-V306 PolarHBondContact N-O 3.11Å; F15-V306 PolarHBondContact O-N 2.83Å; I17-V306 HydrophobicContact CG2-CG2 4.16Å; V306-V308 HydrophobicContact CG1-CG2 4.25Å; V306-M313 HydrophobicContact CG1-CB 3.87Å; V306-M313 HydrophobicContact CG1-CG 4.32Å; V306-M313 HydrophobicContact CG1-SD 4.3Å; V306-F314 CarbonylContact C-O 3.5Å; V306-F314 WeakPolarHBondContact CA-O 3.42Å; V306-L315 HydrophobicContact CG2-CB 4.32Å; V306-L315 HydrophobicContact CG2-CD1 3.68Å
307S98.1Very high97.7Very high21 Ų2137 Ų3715%0.14719%0.193CC..EExtended strand (participates in β ladder)trans-99.5123.9171.9-69.40000110.1Y309 M313 F314S307-Y309 WeakPolarHBondContact O-CD2 3.48Å; S307-M313 CarbonylContact O-C 3.59Å; S307-M313 WeakPolarHBondContact O-CA 3.21Å; S307-F314 PolarHBondContact N-O 3.14Å; S307-F314 PolarHBondContact O-N 3.37Å
308V98.3Very high97.7Very high0 Ų036.9 Ų36.90%019%0.188CC..EExtended strand (participates in β ladder)trans-104.3129.1-175.2-174.40000110.2P11 L12 F13 F15 Y150 V306 M313 Y328P11-V308 CarbonylContact C-O 3.47Å; P11-V308 WeakPolarHBondContact CA-O 3.48Å; L12-V308 PolarHBondContact N-O 3.12Å; F13-V308 HydrophobicContact CD1-CB 4.05Å; F13-V308 HydrophobicContact CD1-CG1 4.28Å; F13-V308 HydrophobicContact CD2-CB 4.41Å; F13-V308 HydrophobicContact CD2-CG2 4.12Å; F13-V308 HydrophobicContact CE1-CB 3.7Å; F13-V308 HydrophobicContact CE1-CG1 3.53Å; F13-V308 HydrophobicContact CE1-CG2 4.11Å; F13-V308 HydrophobicContact CE2-CB 4.1Å; F13-V308 HydrophobicContact CE2-CG1 4.49Å; F13-V308 HydrophobicContact CE2-CG2 3.6Å; F13-V308 HydrophobicContact CG-CB 4.39Å; F13-V308 HydrophobicContact CZ-CB 3.73Å; F13-V308 HydrophobicContact CZ-CG1 3.65Å; F13-V308 HydrophobicContact CZ-CG2 3.58Å; F13-V308 PolarHBondContact O-N 2.85Å; F15-V308 HydrophobicContact CD1-CG2 4.06Å; F15-V308 HydrophobicContact CE1-CG2 3.68Å; Y150-V308 HydrophobicContact CD1-CG1 3.81Å; Y150-V308 HydrophobicContact CE1-CG1 3.45Å; Y150-V308 VanDerWaalsContact CE1-CG1 3.45Å; V306-V308 HydrophobicContact CG1-CG2 4.25Å; V308-M313 HydrophobicContact CG1-CG 4.47Å; V308-M313 HydrophobicContact CG2-CG 4.25Å; V308-Y328 VanDerWaalsContact CG1-OH 3.31Å; V308-Y328 WeakPolarHBondContact CG1-OH 3.39Å
309Y97.6Very high97.8Very high33 Ų3336.5 Ų36.513%0.12920%0.196CC..  trans-122.9175.5-177.5-61.5-87.9000111.1D9 P11 Y150 S307 D311 R312 F314 Y328D9-Y309 HydrophobicContact CB-CD1 4.27Å; D9-Y309 HydrophobicContact CB-CE1 4.3Å; D9-Y309 VanDerWaalsContact O-CE1 3.31Å; D9-Y309 WeakPolarHBondContact O-CE1 3.23Å; P11-Y309 HydrophobicContact CB-CE1 4.04Å; Y150-Y309 PolarHBondContact OH-O 2.76Å; S307-Y309 WeakPolarHBondContact O-CD2 3.48Å; Y309-D311 WeakPolarHBondContact CB-OD1 3.06Å; Y309-D311 PolarHBondContact O-N 2.93Å; Y309-R312 WeakPolarHBondContact CB-O 3.31Å; Y309-R312 HydrophobicContact CD2-CG 3.86Å; Y309-R312 HydrophobicContact CG-CG 4.28Å; Y309-R312 PolarHBondContact N-O 2.79Å; Y309-F314 HydrophobicContact CE2-CB 4.11Å; Y309-Y328 VanDerWaalsContact O-CE2 3.28Å; Y309-Y328 WeakPolarHBondContact O-CE2 3.44Å
310E96.1Very high97.9Very high145 Ų14532.5 Ų32.568%0.67817%0.17SC*.SBendtrans-69.4-8.7175.2-71.2-168.6176.600114.9L12 R229L12-E310 HydrophobicContact CD1-CG 3.92Å; L12-E310 HydrophobicContact CD2-CG 4.32Å; L12-E310 HydrophobicContact CG-CG 4.49Å; R229-E310 PolarHBondContact NH1-O 3.44Å; R229-E310 PolarHBondContact NH2-O 3.45Å
311D96.2Very high97.9Very high69 Ų6931.5 Ų31.537%0.36916%0.162SC..SBendtrans-133.8-12.5-174.865-27.9000113.2Y309 Y328Y309-D311 WeakPolarHBondContact CB-OD1 3.06Å; Y309-D311 PolarHBondContact O-N 2.93Å; D311-Y328 WeakPolarHBondContact O-CD2 3.11Å; D311-Y328 PolarHBondContact O-N 2.79Å
312R97.8Very high97.8Very high42 Ų4232.7 Ų32.716%0.15817%0.174CC..EExtended strand (participates in β ladder)trans-159.9166.4-174.472-161.9-176.6-85.30.9113.2Y309 I325 L326 M327 Y328Y309-R312 WeakPolarHBondContact CB-O 3.31Å; Y309-R312 HydrophobicContact CD2-CG 3.86Å; Y309-R312 HydrophobicContact CG-CG 4.28Å; Y309-R312 PolarHBondContact N-O 2.79Å; R312-I325 HydrophobicContact CB-CG2 4.3Å; R312-L326 CarbonylContact C-O 3.19Å; R312-L326 WeakPolarHBondContact CA-O 3.49Å; R312-L326 WeakPolarHBondContact CB-O 3.21Å; R312-M327 HydrophobicContact CB-CE 4.33Å; R312-M327 HydrophobicContact CB-SD 3.66Å; R312-M327 HydrophobicContact CG-SD 4.44Å; R312-Y328 VanDerWaalsContact C-CZ 3.44Å; R312-Y328 VanDerWaalsContact N-CE2 3.31Å; R312-Y328 PolarHBondContact O-OH 2.87Å
313M98.5Very high97.8Very high1 Ų137 Ų371%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-104.6145.2152.6-57.1176.8-167.700109.6T231 V266 C267 M269 V306 S307 V308 L326 Y328T231-M313 WeakPolarHBondContact OG1-CE 3.45Å; V266-M313 HydrophobicContact CG2-CE 3.8Å; C267-M313 HydrophobicContact CB-CE 4.43Å; M269-M313 HydrophobicContact CE-SD 3.96Å; V306-M313 HydrophobicContact CG1-CB 3.87Å; V306-M313 HydrophobicContact CG1-CG 4.32Å; V306-M313 HydrophobicContact CG1-SD 4.3Å; S307-M313 CarbonylContact O-C 3.59Å; S307-M313 WeakPolarHBondContact O-CA 3.21Å; V308-M313 HydrophobicContact CG1-CG 4.47Å; V308-M313 HydrophobicContact CG2-CG 4.25Å; M313-L326 HydrophobicContact CB-CB 4.18Å; M313-L326 HydrophobicContact CB-CD1 4.29Å; M313-L326 HydrophobicContact CB-CG 4.49Å; M313-L326 PolarHBondContact N-O 3.43Å; M313-L326 PolarHBondContact O-N 3.21Å; M313-Y328 HydrophobicContact CE-CE1 3.91Å; M313-Y328 HydrophobicContact CG-CE1 3.8Å; M313-Y328 WeakPolarHBondContact CG-OH 3.48Å
314F98.4Very high97.8Very high55 Ų5539.7 Ų39.724%0.24121%0.207CC..EExtended strand (participates in β ladder)trans-117.1111.1167.6176.7-115.4000109.1V306 S307 Y309 K316 D323 R324 I325V306-F314 CarbonylContact C-O 3.5Å; V306-F314 WeakPolarHBondContact CA-O 3.42Å; S307-F314 PolarHBondContact N-O 3.14Å; S307-F314 PolarHBondContact O-N 3.37Å; Y309-F314 HydrophobicContact CE2-CB 4.11Å; F314-K316 HydrophobicContact CE1-CB 3.99Å; F314-K316 HydrophobicContact CZ-CB 4.48Å; F314-D323 HydrophobicContact CE2-CB 4.25Å; F314-D323 HydrophobicContact CZ-CB 4.32Å; F314-R324 CarbonylContact C-O 3.57Å; F314-R324 WeakPolarHBondContact CA-O 3.28Å; F314-R324 WeakPolarHBondContact CD2-O 3.36Å; F314-I325 HydrophobicContact CD2-CG1 3.71Å; F314-I325 HydrophobicContact CE2-CG1 4.22Å
315L98.3Very high97.8Very high1 Ų144.4 Ų44.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-83.7120.5169.4170.963.1000108.4I17 L288 V306 M321 D323 R324I17-L315 HydrophobicContact CG2-CD1 4.14Å; L288-L315 HydrophobicContact CD2-CD2 3.84Å; V306-L315 HydrophobicContact CG2-CB 4.32Å; V306-L315 HydrophobicContact CG2-CD1 3.68Å; L315-M321 HydrophobicContact CD1-SD 3.88Å; L315-M321 HydrophobicContact CD2-CG 4.13Å; L315-M321 HydrophobicContact CD2-SD 4.05Å; L315-M321 HydrophobicContact CG-SD 4.4Å; L315-D323 CarbonylContact O-C 3.58Å; L315-D323 WeakPolarHBondContact O-CA 3.41Å; L315-R324 HydrophobicContact CB-CB 4.26Å; L315-R324 HydrophobicContact CD2-CB 4.47Å; L315-R324 HydrophobicContact CD2-CG 4.43Å; L315-R324 PolarHBondContact N-O 2.89Å; L315-R324 PolarHBondContact O-N 3.41Å
316K97.8Very high97.8Very high79 Ų7944.2 Ų44.234%0.34323%0.229SC..EExtended strand (participates in β ladder)trans-98.3109.4163.9-175.5173.8-176.4175.10109G304 T305 F314 Y318 D323G304-K316 CarbonylContact C-O 3.51Å; G304-K316 WeakPolarHBondContact CA-O 3.43Å; T305-K316 PolarHBondContact N-O 3.36Å; T305-K316 PolarHBondContact O-N 3.14Å; F314-K316 HydrophobicContact CE1-CB 3.99Å; F314-K316 HydrophobicContact CZ-CB 4.48Å; K316-Y318 WeakPolarHBondContact CE-OH 3.26Å; K316-Y318 HydrophobicContact CG-CE2 4.39Å; K316-D323 VanDerWaalsContact CA-OD1 3.29Å; K316-D323 WeakPolarHBondContact CA-OD1 3.32Å
317G97.8Very high97.8Very high11 Ų1147.8 Ų47.811%0.11325%0.247CC..EExtended strand (participates in β ladder)trans-93.2156.3-177.100000112.6M321 D323G317-M321 CarbonylContact C-O 3.45Å; G317-M321 VanDerWaalsContact CA-O 3.23Å; G317-M321 WeakPolarHBondContact CA-O 3.29Å; G317-D323 PolarHBondContact N-OD1 3.17Å
318Y97.9Very high97.6Very high33 Ų3347.9 Ų47.913%0.12924%0.244CC..EExtended strand (participates in β ladder)trans-126133175.8-63.9-82.8000110.6R53 D301 F303 K316 R320 M321R53-Y318 HydrophobicContact CG-CE1 3.98Å; R53-Y318 HydrophobicContact CG-CE2 3.9Å; R53-Y318 PolarHBondContact NE-OH 2.92Å; R53-Y318 PolarHBondContact NH2-OH 2.81Å; D301-Y318 CarbonylContact C-O 3.57Å; D301-Y318 VanDerWaalsContact C-O 3.28Å; F303-Y318 AromaticContact CD2-CD2 3.76Å; F303-Y318 HydrophobicContact CD2-CD2 3.76Å; F303-Y318 HydrophobicContact CD2-CE2 4.44Å; F303-Y318 HydrophobicContact CD2-CG 4.48Å; F303-Y318 HydrophobicContact CE1-CD2 4.25Å; F303-Y318 HydrophobicContact CE1-CG 4.04Å; F303-Y318 AromaticContact CE2-CD2 3.24Å; F303-Y318 HydrophobicContact CE2-CD2 3.24Å; F303-Y318 AromaticContact CE2-CE2 3.74Å; F303-Y318 HydrophobicContact CE2-CE2 3.74Å; F303-Y318 AromaticContact CE2-CG 3.83Å; F303-Y318 HydrophobicContact CE2-CG 3.83Å; F303-Y318 HydrophobicContact CG-CD2 4.43Å; F303-Y318 HydrophobicContact CZ-CD1 4.29Å; F303-Y318 AromaticContact CZ-CD2 3.51Å; F303-Y318 HydrophobicContact CZ-CD2 3.51Å; F303-Y318 HydrophobicContact CZ-CE2 4.21Å; F303-Y318 AromaticContact CZ-CG 3.56Å; F303-Y318 HydrophobicContact CZ-CG 3.56Å; F303-Y318 PolarHBondContact O-N 3.49Å; K316-Y318 WeakPolarHBondContact CE-OH 3.26Å; K316-Y318 HydrophobicContact CG-CE2 4.39Å; Y318-R320 PolarHBondContact O-N 3.27Å; Y318-M321 PolarHBondContact N-O 3.28Å; Y318-M321 PolarHBondContact O-N 2.9Å
319G98.2Very high97Very high54 Ų5453.2 Ų53.256%0.55728%0.279SS*.EExtended strand (participates in β ladder)trans67.8-113.8-178.700000112.6D301 M321D301-G319 CarbonylContact O-C 3.59Å; D301-G319 VanDerWaalsContact O-CA 3.27Å; D301-G319 WeakPolarHBondContact O-CA 3.5Å; G319-M321 VanDerWaalsContact C-N 3.26Å; G319-M321 PolarHBondContact O-N 3.49Å
320R98.3Very high96.9Very high63 Ų6354.3 Ų54.324%0.23829%0.287CS..THydrogen-bonded Turntrans-68.6-26.9-179-66.4178.665.1-150.1-3.7112.7H274 E291 G292 T296 D301 Y318H274-R320 PolarHBondContact O-NH1 2.85Å; H274-R320 VanDerWaalsContact O-NH1 3.11Å; H274-R320 PolarHBondContact O-NH2 3.05Å; E291-R320 HydrophobicContact CB-CB 3.98Å; E291-R320 HydrophobicContact CG-CB 4.05Å; G292-R320 PolarHBondContact O-NH1 3.42Å; G292-R320 VanDerWaalsContact O-NH1 3.13Å; T296-R320 HydrophobicContact CG2-CG 4.29Å; T296-R320 VanDerWaalsContact OG1-CD 3.3Å; T296-R320 WeakPolarHBondContact OG1-CD 3.35Å; T296-R320 PolarHBondContact OG1-NH1 2.97Å; D301-R320 PolarHBondContact O-N 3.14Å; Y318-R320 PolarHBondContact O-N 3.27Å
321M97.6Very high97Very high5 Ų549.5 Ų49.53%0.02527%0.266CS..SBendtrans-80.3121.9179.3-167.8175.8-63.400110.2I17 L290 E291 F303 L315 G317 Y318 G319I17-M321 HydrophobicContact CG2-SD 4.45Å; L290-M321 HydrophobicContact CB-CE 4.07Å; L290-M321 HydrophobicContact CD2-CE 3.59Å; L290-M321 HydrophobicContact CG-CE 3.64Å; E291-M321 WeakPolarHBondContact OE2-CA 3.39Å; F303-M321 VanDerWaalsContact C-SD 3.56Å; L315-M321 HydrophobicContact CD1-SD 3.88Å; L315-M321 HydrophobicContact CD2-CG 4.13Å; L315-M321 HydrophobicContact CD2-SD 4.05Å; L315-M321 HydrophobicContact CG-SD 4.4Å; G317-M321 CarbonylContact C-O 3.45Å; G317-M321 VanDerWaalsContact CA-O 3.23Å; G317-M321 WeakPolarHBondContact CA-O 3.29Å; Y318-M321 PolarHBondContact N-O 3.28Å; Y318-M321 PolarHBondContact O-N 2.9Å; G319-M321 VanDerWaalsContact C-N 3.26Å; G319-M321 PolarHBondContact O-N 3.49Å
322S96.4Very high97Very high64 Ų6448.4 Ų48.445%0.44826%0.26SS..PPolyproline II helixtrans-86.4152.1179.1-61.80000112.5
323D98.3Very high97Very high90 Ų9048.8 Ų48.848%0.48127%0.266SS..PPolyproline II helixtrans-61.4139.3169.1-72.80.2000110.9F314 L315 K316 G317F314-D323 HydrophobicContact CE2-CB 4.25Å; F314-D323 HydrophobicContact CZ-CB 4.32Å; L315-D323 CarbonylContact O-C 3.58Å; L315-D323 WeakPolarHBondContact O-CA 3.41Å; K316-D323 VanDerWaalsContact CA-OD1 3.29Å; K316-D323 WeakPolarHBondContact CA-OD1 3.32Å; G317-D323 PolarHBondContact N-OD1 3.17Å
324R98Very high96.9Very high61 Ų6151.8 Ų51.823%0.2328%0.283CS..EExtended strand (participates in β ladder)trans-144.5140.4179.7-58.7-176.4-166.8-78.40.3111.9F314 L315 L326F314-R324 CarbonylContact C-O 3.57Å; F314-R324 WeakPolarHBondContact CA-O 3.28Å; F314-R324 WeakPolarHBondContact CD2-O 3.36Å; L315-R324 HydrophobicContact CB-CB 4.26Å; L315-R324 HydrophobicContact CD2-CB 4.47Å; L315-R324 HydrophobicContact CD2-CG 4.43Å; L315-R324 PolarHBondContact N-O 2.89Å; L315-R324 PolarHBondContact O-N 3.41Å; R324-L326 HydrophobicContact CB-CD2 4.21Å
325I98.3Very high96.8Very high98 Ų9851.5 Ų51.550%0.50329%0.285SS..EExtended strand (participates in β ladder)trans-103.9122.7167.7-60.4169000107.8R312 F314 M327R312-I325 HydrophobicContact CB-CG2 4.3Å; F314-I325 HydrophobicContact CD2-CG1 3.71Å; F314-I325 HydrophobicContact CE2-CG1 4.22Å; I325-M327 HydrophobicContact CG2-CG 4.08Å; I325-M327 HydrophobicContact CG2-SD 3.63Å
326L98.1Very high96.7Very high2 Ų255.1 Ų55.11%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-109.993.5179.1-47.9179.8000108Y278 H286 R312 M313 R324Y278-L326 HydrophobicContact CE2-CD2 3.67Å; H286-L326 HydrophobicContact CB-CB 4.49Å; H286-L326 HydrophobicContact CB-CD1 4.44Å; H286-L326 HydrophobicContact CB-CD2 4.2Å; H286-L326 WeakPolarHBondContact NE2-CA 3.49Å; R312-L326 CarbonylContact C-O 3.19Å; R312-L326 WeakPolarHBondContact CA-O 3.49Å; R312-L326 WeakPolarHBondContact CB-O 3.21Å; M313-L326 HydrophobicContact CB-CB 4.18Å; M313-L326 HydrophobicContact CB-CD1 4.29Å; M313-L326 HydrophobicContact CB-CG 4.49Å; M313-L326 PolarHBondContact N-O 3.43Å; M313-L326 PolarHBondContact O-N 3.21Å; R324-L326 HydrophobicContact CB-CD2 4.21Å
327M97.7Very high96.6Very high77 Ų7753.3 Ų53.338%0.37930%0.303SS..EExtended strand (participates in β ladder)trans-76.5128.3-178.2-65.4-58.4-57.100110.3H286 R312 I325H286-M327 PolarHBondContact NE2-N 3.05Å; H286-M327 PolarHBondContact NE2-O 3.07Å; R312-M327 HydrophobicContact CB-CE 4.33Å; R312-M327 HydrophobicContact CB-SD 3.66Å; R312-M327 HydrophobicContact CG-SD 4.44Å; I325-M327 HydrophobicContact CG2-CG 4.08Å; I325-M327 HydrophobicContact CG2-SD 3.63Å
328Y95Very high96.5Very high22 Ų2256.8 Ų56.89%0.08632%0.318CS..  trans-64.5145.7176.5-57-33.7000111.7Y150 V266 V308 Y309 D311 R312 M313Y150-Y328 HydrophobicContact CE1-CE2 4.21Å; V266-Y328 HydrophobicContact CB-CD1 3.7Å; V266-Y328 HydrophobicContact CB-CE1 4.05Å; V266-Y328 HydrophobicContact CG1-CD1 3.85Å; V266-Y328 HydrophobicContact CG1-CE1 4.42Å; V266-Y328 HydrophobicContact CG1-CG 4.26Å; V266-Y328 HydrophobicContact CG2-CD1 3.99Å; V266-Y328 HydrophobicContact CG2-CE1 3.79Å; V308-Y328 VanDerWaalsContact CG1-OH 3.31Å; V308-Y328 WeakPolarHBondContact CG1-OH 3.39Å; Y309-Y328 VanDerWaalsContact O-CE2 3.28Å; Y309-Y328 WeakPolarHBondContact O-CE2 3.44Å; D311-Y328 WeakPolarHBondContact O-CD2 3.11Å; D311-Y328 PolarHBondContact O-N 2.79Å; R312-Y328 VanDerWaalsContact C-CZ 3.44Å; R312-Y328 VanDerWaalsContact N-CE2 3.31Å; R312-Y328 PolarHBondContact O-OH 2.87Å; M313-Y328 HydrophobicContact CE-CE1 3.91Å; M313-Y328 HydrophobicContact CG-CE1 3.8Å; M313-Y328 WeakPolarHBondContact CG-OH 3.48Å
329P84.5Confident96.4Very high113 Ų11359 Ų5973%0.73434%0.335SS*.  trans-63.10178.925.2-32.9000113.8

Retrieved 329 of 329 residues in 162.3 ms (Link to these results)

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