A0A087YG21_POEFO Loading...

4-hydroxyphenylpyruvate dioxygenase

Catalyzes the conversion of 4-hydroxyphenylpyruvic acid to homogentisic acid, one of the steps in tyrosine catabolism.

AlphaFold DB , UniProt , Accession A0A087YG21, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 394 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
1Q54Low80.8Confident197 Ų19785.4 Ų85.492%0.92145%0.45SS*.  0123.60-176.7174.71.100106.8
2T71.8Confident81.3Confident33 Ų3392.2 Ų92.220%0.20248%0.477CS..  trans-93.7-23-172.250.90000113.3W211 S212 V213 Q217T2-W211 CarbonylContact O-C 3.56Å; T2-W211 WeakPolarHBondContact O-CA 3.32Å; T2-S212 WeakPolarHBondContact CA-O 3.36Å; T2-S212 WeakPolarHBondContact CB-O 3.34Å; T2-S212 PolarHBondContact O-N 3.12Å; T2-V213 HydrophobicContact CG2-CG1 4.05Å; T2-Q217 VanDerWaalsContact CG2-NE2 3.34Å
3T79.1Confident81.8Confident62 Ų6293.3 Ų93.338%0.3848%0.479SS..BIsolated β-bridgetrans-108.6139.3-179-51.60000110.6
4Y81.8Confident82.4Confident75 Ų7588 Ų8829%0.29446%0.459SS..  trans-109.4135.2-178.4-64.5-98.1000109.5R209 F210 S212Y4-R209 WeakPolarHBondContact CB-O 3.47Å; Y4-R209 HydrophobicContact CD1-CG 4.37Å; Y4-R209 HydrophobicContact CD2-CB 4.47Å; Y4-R209 HydrophobicContact CD2-CG 3.62Å; Y4-R209 HydrophobicContact CE1-CG 4.41Å; Y4-R209 HydrophobicContact CE2-CG 3.69Å; Y4-R209 HydrophobicContact CG-CB 4.43Å; Y4-R209 HydrophobicContact CG-CG 4.01Å; Y4-R209 PolarHBondContact OH-NE 3.25Å; Y4-R209 VanDerWaalsContact OH-NE 3.08Å; Y4-R209 PolarHBondContact OH-NH2 2.66Å; Y4-F210 PolarHBondContact N-O 2.66Å; Y4-S212 VanDerWaalsContact CE2-OG 3.28Å; Y4-S212 WeakPolarHBondContact CE2-OG 3.48Å; Y4-S212 PolarHBondContact OH-OG 3.48Å; Y4-S212 VanDerWaalsContact OH-OG 3.13Å
5T82.2Confident83.2Confident126 Ų12689.8 Ų89.877%0.77346%0.457SS*.  trans-101.2-17.917953.50000112.9K7T5-K7 PolarHBondContact O-N 2.59Å
6D87.4Confident84.1Confident123 Ų12384.5 Ų84.566%0.65843%0.43SS*.  trans-78.1117.1175.1-1768.5000109.6G8D6-G8 PolarHBondContact OD1-N 3.39Å
7K88.3Confident84.9Confident62 Ų6282.5 Ų82.527%0.2742%0.42SS..  trans-95.4-0.8179.7-54.7-166.2173.7-161.80113T5 H208 Y233 E235T5-K7 PolarHBondContact O-N 2.59Å; K7-H208 WeakPolarHBondContact O-CB 3.28Å; K7-Y233 HydrophobicContact CB-CD2 3.89Å; K7-Y233 HydrophobicContact CB-CE2 3.74Å; K7-Y233 WeakPolarHBondContact CD-O 3.23Å; K7-Y233 PolarHBondContact NZ-O 3.22Å; K7-E235 VanDerWaalsContact CE-CD 3.46Å; K7-E235 WeakPolarHBondContact CE-OE1 3.34Å; K7-E235 IonicContact NZ-OE1 2.66Å; K7-E235 PolarHBondContact NZ-OE1 2.96Å; K7-E235 IonicContact NZ-OE2 2.62Å; K7-E235 PolarHBondContact NZ-OE2 3.13Å
8G86.2Confident85.6Confident47 Ų4780.8 Ų80.849%0.48542%0.416SS..  trans64.1-154.1-179.300000114.3D6D6-G8 PolarHBondContact OD1-N 3.39Å
9E85.8Confident86.3Confident87 Ų8777.4 Ų77.441%0.40740%0.398SS..PPolyproline II helixtrans-68.5126.5179.6-174.4-169.9156.800110.4K110 R114 L206E9-K110 IonicContact OE1-NZ 3.17Å; E9-K110 PolarHBondContact OE1-NZ 3.37Å; E9-R114 IonicContact OE1-NH2 3.75Å; E9-R114 IonicContact OE2-NH2 3.42Å; E9-R114 PolarHBondContact OE2-NH2 3.26Å; E9-L206 HydrophobicContact CB-CD1 4.36Å; E9-L206 HydrophobicContact CB-CD2 4.12Å; E9-L206 HydrophobicContact CG-CD1 4.04Å
10K87.8Confident86.9Confident104 Ų10474.2 Ų74.245%0.45238%0.381SS..PPolyproline II helixtrans-82139.5166-167.4177.1-172.3162.10109.2E12 Y233 E234K10-E12 PolarHBondContact O-N 3.17Å; K10-Y233 HydrophobicContact CB-CD1 4.41Å; K10-Y233 HydrophobicContact CB-CD2 3.85Å; K10-Y233 HydrophobicContact CB-CE1 4.27Å; K10-Y233 HydrophobicContact CB-CE2 3.67Å; K10-Y233 HydrophobicContact CB-CG 4.2Å; K10-Y233 HydrophobicContact CD-CD1 3.72Å; K10-Y233 HydrophobicContact CD-CE1 3.56Å; K10-Y233 HydrophobicContact CD-CG 4.28Å; K10-Y233 HydrophobicContact CG-CD1 3.81Å; K10-Y233 HydrophobicContact CG-CD2 4.02Å; K10-Y233 HydrophobicContact CG-CE1 3.96Å; K10-Y233 HydrophobicContact CG-CE2 4.15Å; K10-Y233 HydrophobicContact CG-CG 3.84Å; K10-E234 WeakPolarHBondContact CE-OE1 3.44Å; K10-E234 IonicContact NZ-OE1 3.03Å; K10-E234 PolarHBondContact NZ-OE1 3.39Å
11H84.1Confident87.5Confident23 Ų2371.1 Ų71.111%0.10637%0.365CS..PPolyproline II helixtrans-51.7127.9167.9-71.9-73.8000111.1Q13 G14 F16 L205H11-Q13 WeakPolarHBondContact CB-O 3.47Å; H11-Q13 PolarHBondContact O-N 3.23Å; H11-G14 WeakPolarHBondContact CB-O 3.34Å; H11-F16 AromaticContact NE2-CE2 3.73Å; H11-L205 PolarHBondContact CE1-O 3.33Å; H11-L205 PolarHBondContact NE2-O 2.88Å
12E87.1Confident89.6Confident167 Ų16761.7 Ų61.778%0.7832%0.321SS*.SBendtrans-64.9-32.3174.3-64.2-179171.800111.5K10K10-E12 PolarHBondContact O-N 3.17Å
13Q87.3Confident90.9Very high107 Ų10761.1 Ų61.150%0.532%0.318SS..SBendtrans-145.5152.3178-177.6167.7-10.300109.7H11 D102 F105H11-Q13 WeakPolarHBondContact CB-O 3.47Å; H11-Q13 PolarHBondContact O-N 3.23Å; Q13-D102 HydrophobicContact CG-CB 4.48Å; Q13-D102 WeakPolarHBondContact CG-OD2 3.44Å; Q13-D102 PolarHBondContact NE2-OD2 3.35Å; Q13-F105 HydrophobicContact CB-CD1 4.14Å; Q13-F105 HydrophobicContact CB-CD2 4Å; Q13-F105 HydrophobicContact CB-CE1 4.14Å; Q13-F105 HydrophobicContact CB-CE2 3.99Å; Q13-F105 HydrophobicContact CB-CG 4.08Å; Q13-F105 HydrophobicContact CB-CZ 4.05Å; Q13-F105 HydrophobicContact CG-CD2 4.31Å; Q13-F105 HydrophobicContact CG-CG 4.22Å; Q13-F105 WeakPolarHBondContact O-CD1 3.23Å; Q13-F105 WeakPolarHBondContact O-CE1 3.44Å
14G90.8Very high91.9Very high19 Ų1958.3 Ų58.320%0.19630%0.3CS..  trans74.8155.7-176.300000114.1H11 E101H11-G14 WeakPolarHBondContact CB-O 3.34Å; G14-E101 CarbonylContact C-O 3.57Å; G14-E101 WeakPolarHBondContact CA-O 3.36Å
15R95Very high92.7Very high115 Ų11556.4 Ų56.443%0.43429%0.293SS..EExtended strand (participates in β ladder)trans-155.6148-17954.5170.1-179.3170.55.6112.9I17 V100 E101R15-I17 HydrophobicContact CB-CD1 4.48Å; R15-I17 HydrophobicContact CG-CD1 3.54Å; R15-V100 CarbonylContact O-C 3.6Å; R15-V100 WeakPolarHBondContact O-CA 3.24Å; R15-V100 WeakPolarHBondContact O-CB 3.38Å; R15-E101 HydrophobicContact CG-CB 3.8Å; R15-E101 HydrophobicContact CG-CG 4.14Å; R15-E101 IonicContact CZ-OE1 2.78Å; R15-E101 IonicContact CZ-OE2 3.93Å; R15-E101 VanDerWaalsContact CZ-OE2 3.31Å; R15-E101 PolarHBondContact N-O 3.49Å; R15-E101 IonicContact NE-OE1 3.66Å; R15-E101 PolarHBondContact NE-OE1 3.46Å; R15-E101 IonicContact NE-OE2 3.69Å; R15-E101 PolarHBondContact NE-OE2 3.42Å; R15-E101 IonicContact NH2-OE1 2.63Å; R15-E101 PolarHBondContact NH2-OE1 2.87Å; R15-E101 IonicContact NH2-OE2 2.87Å; R15-E101 PolarHBondContact NH2-OE2 3.48Å; R15-E101 PolarHBondContact O-N 3.06Å
16F96.8Very high93.5Very high5 Ų550.8 Ų50.82%0.02226%0.258CS..EExtended strand (participates in β ladder)trans-86.7122.8166.4-65.2-94.2000108.9H11 F98 V100 L106 F147 L205 F207 N232H11-F16 AromaticContact NE2-CE2 3.73Å; F16-F98 HydrophobicContact CD1-CB 3.97Å; F16-F98 HydrophobicContact CD1-CD2 4.07Å; F16-F98 HydrophobicContact CD1-CG 4.14Å; F16-F98 HydrophobicContact CE1-CB 4.45Å; F16-F98 AromaticContact CE1-CD2 3.98Å; F16-F98 HydrophobicContact CE1-CD2 3.98Å; F16-F98 HydrophobicContact CE1-CG 4.48Å; F16-V100 HydrophobicContact CD1-CG1 3.72Å; F16-V100 HydrophobicContact CE1-CG1 3.97Å; F16-V100 HydrophobicContact CG-CG1 4.36Å; F16-L106 HydrophobicContact CE2-CD1 4.19Å; F16-L106 HydrophobicContact CE2-CD2 3.88Å; F16-L106 HydrophobicContact CZ-CD1 4.21Å; F16-L106 HydrophobicContact CZ-CD2 4.4Å; F16-F147 HydrophobicContact CE1-CD1 4.2Å; F16-F147 AromaticContact CE1-CE1 3.68Å; F16-F147 HydrophobicContact CE1-CE1 3.68Å; F16-F147 HydrophobicContact CE1-CE2 4.42Å; F16-F147 AromaticContact CE1-CZ 3.8Å; F16-F147 HydrophobicContact CE1-CZ 3.8Å; F16-F147 HydrophobicContact CZ-CE1 4.18Å; F16-F147 HydrophobicContact CZ-CE2 4.27Å; F16-F147 AromaticContact CZ-CZ 3.82Å; F16-F147 HydrophobicContact CZ-CZ 3.82Å; F16-L205 HydrophobicContact CE1-CD1 4.39Å; F16-L205 HydrophobicContact CE2-CB 4.29Å; F16-L205 HydrophobicContact CZ-CB 4.08Å; F16-L205 HydrophobicContact CZ-CD1 4.21Å; F16-L205 HydrophobicContact CZ-CD2 4.19Å; F16-L205 HydrophobicContact CZ-CG 4.39Å; F16-F207 HydrophobicContact CB-CE1 4.48Å; F16-F207 HydrophobicContact CD1-CE1 4.12Å; F16-F207 HydrophobicContact CD1-CZ 4.22Å; F16-F207 AromaticContact CD2-CE1 3.69Å; F16-F207 HydrophobicContact CD2-CE1 3.69Å; F16-F207 HydrophobicContact CD2-CZ 4.5Å; F16-F207 HydrophobicContact CE1-CE1 4.28Å; F16-F207 AromaticContact CE2-CE1 3.86Å; F16-F207 HydrophobicContact CE2-CE1 3.86Å; F16-F207 AromaticContact CG-CE1 3.84Å; F16-F207 HydrophobicContact CG-CE1 3.84Å; F16-F207 HydrophobicContact CG-CZ 4.2Å; F16-F207 HydrophobicContact CZ-CE1 4.16Å; F16-N232 HydrophobicContact CB-CB 4Å; F16-N232 PolarHBondContact O-ND2 2.92Å; F16-N232 VanDerWaalsContact O-ND2 3.1Å
17I97.6Very high94Very high51 Ų5147 Ų4726%0.26225%0.249SC..EExtended strand (participates in β ladder)trans-90.9-59-174.8-51.7-60.8000110.5R15 T99 E101 T236R15-I17 HydrophobicContact CB-CD1 4.48Å; R15-I17 HydrophobicContact CG-CD1 3.54Å; I17-T99 HydrophobicContact CB-CG2 4.2Å; I17-T99 WeakPolarHBondContact CB-O 3.47Å; I17-T99 HydrophobicContact CG1-CG2 4.22Å; I17-T99 PolarHBondContact N-O 2.91Å; I17-E101 HydrophobicContact CD1-CG 4.14Å; I17-E101 HydrophobicContact CG1-CG 4.46Å; I17-T236 WeakPolarHBondContact O-CB 3.39Å; I17-T236 PolarHBondContact O-OG1 3.19Å
18C97.9Very high94.5Very high51 Ų5147.2 Ų47.235%0.34525%0.252SS..EExtended strand (participates in β ladder)trans-165.2178.1-17862.20000109.8F98 T99C18-F98 WeakPolarHBondContact O-CA 3.37Å; C18-T99 PolarHBondContact O-N 3.49Å
19F98.8Very high95.1Very high17 Ų1745 Ų458%0.07523%0.23CC..EExtended strand (participates in β ladder)trans-61.4132.6162.7-61.9-78.5000109.9V96 F98 I182 V185 V237 M239F19-V96 HydrophobicContact CD1-CG1 3.85Å; F19-V96 HydrophobicContact CE1-CG1 3.86Å; F19-F98 HydrophobicContact CD1-CD1 4.05Å; F19-F98 AromaticContact CD1-CE1 3.73Å; F19-F98 HydrophobicContact CD1-CE1 3.73Å; F19-F98 HydrophobicContact CE1-CD1 4.43Å; F19-F98 AromaticContact CE1-CE1 3.69Å; F19-F98 HydrophobicContact CE1-CE1 3.69Å; F19-I182 HydrophobicContact CB-CB 4.13Å; F19-I182 HydrophobicContact CB-CD1 4.17Å; F19-I182 HydrophobicContact CB-CG2 4.4Å; F19-I182 HydrophobicContact CD1-CG2 4.38Å; F19-I182 HydrophobicContact CD2-CB 3.89Å; F19-I182 HydrophobicContact CD2-CG2 3.64Å; F19-I182 WeakPolarHBondContact CD2-O 3.42Å; F19-I182 HydrophobicContact CE2-CG2 3.91Å; F19-I182 HydrophobicContact CG-CB 4.11Å; F19-I182 HydrophobicContact CG-CG2 3.9Å; F19-I182 HydrophobicContact CZ-CG2 4.37Å; F19-V185 HydrophobicContact CD1-CG2 4.23Å; F19-V185 HydrophobicContact CE1-CB 4.26Å; F19-V185 HydrophobicContact CE1-CG2 3.68Å; F19-V185 HydrophobicContact CZ-CB 4.44Å; F19-V185 HydrophobicContact CZ-CG2 3.96Å; F19-V237 HydrophobicContact CD1-CG1 4.48Å; F19-V237 HydrophobicContact CE1-CG1 3.86Å; F19-V237 HydrophobicContact CE2-CG1 4.2Å; F19-V237 HydrophobicContact CZ-CB 4.47Å; F19-V237 HydrophobicContact CZ-CG1 3.7Å; F19-M239 HydrophobicContact CE1-SD 3.62Å; F19-M239 HydrophobicContact CZ-SD 3.83Å
20D98.7Very high95.7Very high13 Ų1347.7 Ų47.77%0.0724%0.24CC..EExtended strand (participates in β ladder)trans-90.2-55.7176.9-168.3-93.1000110.8A97 T99 V148 R150D20-A97 HydrophobicContact CB-CB 4.12Å; D20-A97 PolarHBondContact N-O 3.48Å; D20-T99 WeakPolarHBondContact CB-OG1 3.48Å; D20-T99 PolarHBondContact OD2-OG1 3.41Å; D20-V148 HydrophobicContact CB-CB 4.35Å; D20-V148 HydrophobicContact CB-CG2 4.18Å; D20-R150 IonicContact OD1-CZ 2.83Å; D20-R150 IonicContact OD1-NE 3.46Å; D20-R150 IonicContact OD1-NH2 2.64Å; D20-R150 PolarHBondContact OD1-NH2 2.92Å; D20-R150 IonicContact OD2-CZ 3.67Å; D20-R150 IonicContact OD2-NE 3.54Å; D20-R150 PolarHBondContact OD2-NE 2.91Å; D20-R150 IonicContact OD2-NH2 3.74Å; D20-R150 PolarHBondContact OD2-NH2 3.47Å
21H98.9Very high96.3Very high9 Ų949.1 Ų49.14%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-164164.6176.562.4-81.3000109.7I68 V70 A97 F157H21-I68 CarbonylContact C-O 3.54Å; H21-I68 VanDerWaalsContact CA-O 3.24Å; H21-I68 WeakPolarHBondContact CA-O 3.37Å; H21-I68 HydrophobicContact CB-CB 3.74Å; H21-I68 HydrophobicContact CB-CG2 3.73Å; H21-I68 WeakPolarHBondContact CB-O 3.44Å; H21-V70 HydrophobicContact CB-CG2 4.48Å; H21-A97 VanDerWaalsContact CE1-CB 3.45Å; H21-A97 WeakPolarHBondContact CE1-CB 3.48Å; H21-A97 VanDerWaalsContact O-CB 3.27Å; H21-A97 WeakPolarHBondContact O-CB 3.38Å; H21-A97 PolarHBondContact O-N 3.23Å; H21-F157 HydrophobicContact CB-CE2 4.27Å; H21-F157 HydrophobicContact CB-CZ 4.21Å; H21-F157 AromaticContact CD2-CZ 3.98Å; H21-F157 AromaticContact CG-CZ 3.77Å; H21-F157 AromaticContact ND1-CE2 3.98Å; H21-F157 AromaticContact ND1-CZ 3.79Å
22L98.9Very high97Very high0 Ų048.6 Ų48.60%025%0.248CC..EExtended strand (participates in β ladder)trans-113.6136.3167.5-82.862.1000109.6F24 I68 Y69 V70 V93 D95 V96 I182 V185 I268L22-F24 HydrophobicContact CB-CE2 4.09Å; L22-I68 PolarHBondContact N-O 3.41Å; L22-Y69 HydrophobicContact CB-CD1 3.96Å; L22-Y69 HydrophobicContact CB-CE1 4.23Å; L22-Y69 HydrophobicContact CD2-CE1 4.37Å; L22-Y69 CarbonylContact O-C 3.6Å; L22-Y69 WeakPolarHBondContact O-CA 3.45Å; L22-V70 PolarHBondContact O-N 3.23Å; L22-V93 HydrophobicContact CD2-CG1 4.34Å; L22-V93 HydrophobicContact CG-CG1 4.46Å; L22-D95 WeakPolarHBondContact CA-O 3.25Å; L22-V96 HydrophobicContact CD1-CG1 4.17Å; L22-V96 HydrophobicContact CD2-CG2 4.46Å; L22-V96 HydrophobicContact CG-CG1 4.4Å; L22-V96 HydrophobicContact CG-CG2 4.22Å; L22-I182 HydrophobicContact CD1-CD1 3.37Å; L22-V185 HydrophobicContact CD1-CG2 4.45Å; L22-V185 HydrophobicContact CD2-CG1 4.37Å; L22-V185 HydrophobicContact CD2-CG2 4.04Å; L22-I268 HydrophobicContact CD2-CB 4.5Å; L22-I268 HydrophobicContact CD2-CD1 3.37Å; L22-I268 HydrophobicContact CD2-CG1 3.53Å; L22-I268 HydrophobicContact CD2-CG2 4.15Å
23T98.9Very high97.5Very high20 Ų2041 Ų4112%0.12321%0.214CC..EExtended strand (participates in β ladder)trans-103.2126.7174.4-58.40000109.9V70 K94 D95T23-V70 CarbonylContact C-O 3.55Å; T23-V70 WeakPolarHBondContact CA-O 3.38Å; T23-V70 HydrophobicContact CG2-CB 4.38Å; T23-V70 HydrophobicContact CG2-CG1 4.5Å; T23-K94 PolarHBondContact O-N 3.19Å; T23-D95 PolarHBondContact N-O 2.9Å; T23-D95 PolarHBondContact O-N 3.41Å; T23-D95 VanDerWaalsContact O-N 3.15Å
24F98.9Very high98.1Very high3 Ų338.4 Ų38.41%0.01321%0.208CC..EExtended strand (participates in β ladder)trans-103.1135.2173.1-66-106.9000109.5L22 V26 Y69 V70 F71 S72 G92 V93 I268 V347L22-F24 HydrophobicContact CB-CE2 4.09Å; F24-V26 HydrophobicContact CB-CG1 3.83Å; F24-Y69 AromaticContact CE2-CD1 3.79Å; F24-Y69 HydrophobicContact CE2-CD1 3.79Å; F24-Y69 HydrophobicContact CE2-CD2 4.24Å; F24-Y69 HydrophobicContact CE2-CE1 4.28Å; F24-Y69 AromaticContact CE2-CG 3.78Å; F24-Y69 HydrophobicContact CE2-CG 3.78Å; F24-V70 PolarHBondContact N-O 3.38Å; F24-F71 HydrophobicContact CB-CD1 3.69Å; F24-F71 HydrophobicContact CB-CE1 4Å; F24-F71 HydrophobicContact CD1-CE1 4.26Å; F24-F71 HydrophobicContact CD2-CD1 4.19Å; F24-F71 AromaticContact CD2-CE1 3.76Å; F24-F71 HydrophobicContact CD2-CE1 3.76Å; F24-F71 HydrophobicContact CD2-CZ 4.39Å; F24-F71 HydrophobicContact CE2-CE1 4.27Å; F24-F71 AromaticContact CG-CD1 4Å; F24-F71 HydrophobicContact CG-CD1 4Å; F24-F71 AromaticContact CG-CE1 3.76Å; F24-F71 HydrophobicContact CG-CE1 3.76Å; F24-S72 PolarHBondContact O-N 3.44Å; F24-G92 CarbonylContact C-O 3.53Å; F24-G92 WeakPolarHBondContact CA-O 3.38Å; F24-V93 HydrophobicContact CD1-CG2 3.87Å; F24-V93 HydrophobicContact CE1-CG2 3.42Å; F24-V93 VanDerWaalsContact CE1-CG2 3.42Å; F24-V93 HydrophobicContact CE2-CG2 4.34Å; F24-V93 HydrophobicContact CZ-CG2 3.7Å; F24-I268 HydrophobicContact CE1-CD1 4.28Å; F24-I268 HydrophobicContact CE2-CD1 4.33Å; F24-I268 HydrophobicContact CZ-CD1 3.5Å; F24-V347 HydrophobicContact CE1-CG1 4.39Å
25W98.9Very high98.4Very high35 Ų3541.6 Ų41.613%0.13321%0.214CC..EExtended strand (participates in β ladder)trans-98121.3164-77.77.8000108.3S72 E81 M82 H85 G92 K94W25-S72 WeakPolarHBondContact CA-O 3.21Å; W25-E81 HydrophobicContact CH2-CG 3.8Å; W25-E81 HydrophobicContact CZ3-CG 3.99Å; W25-M82 HydrophobicContact CB-CE 4.34Å; W25-M82 HydrophobicContact CD2-CE 3.87Å; W25-M82 HydrophobicContact CD2-CG 3.94Å; W25-M82 HydrophobicContact CE3-CB 4.19Å; W25-M82 HydrophobicContact CE3-CG 3.88Å; W25-M82 HydrophobicContact CG-CE 3.72Å; W25-M82 HydrophobicContact CH2-CG 3.85Å; W25-M82 HydrophobicContact CZ2-CG 3.9Å; W25-M82 HydrophobicContact CZ3-CB 4.3Å; W25-M82 HydrophobicContact CZ3-CG 3.85Å; W25-H85 HydrophobicContact CE3-CB 3.63Å; W25-H85 AromaticContact CE3-CD2 3.87Å; W25-H85 AromaticContact CE3-CG 3.56Å; W25-H85 HydrophobicContact CZ3-CB 3.9Å; W25-G92 PolarHBondContact N-O 3.24Å; W25-G92 PolarHBondContact O-N 2.83Å; W25-G92 VanDerWaalsContact O-N 3.08Å; W25-K94 HydrophobicContact CB-CB 4.22Å; W25-K94 HydrophobicContact CD2-CB 3.93Å; W25-K94 HydrophobicContact CD2-CD 4.08Å; W25-K94 HydrophobicContact CD2-CG 3.7Å; W25-K94 HydrophobicContact CE3-CD 3.96Å; W25-K94 HydrophobicContact CE3-CG 4.12Å; W25-K94 HydrophobicContact CG-CB 3.74Å; W25-K94 HydrophobicContact CG-CG 4.05Å; W25-K94 HydrophobicContact CH2-CD 4.18Å; W25-K94 HydrophobicContact CH2-CG 4.35Å; W25-K94 HydrophobicContact CZ2-CD 4.3Å; W25-K94 HydrophobicContact CZ2-CG 3.96Å; W25-K94 HydrophobicContact CZ3-CD 4.01Å; W25-K94 HydrophobicContact CZ3-CG 4.43Å
26V98.9Very high98.6Very high8 Ų836.7 Ų36.75%0.04820%0.196CC..  trans-137.1154.5-169.4-60.80000110.8F24 N28 A29 A32 F71 S72 S73 D91F24-V26 HydrophobicContact CB-CG1 3.83Å; V26-N28 VanDerWaalsContact C-N 3.28Å; V26-N28 PolarHBondContact O-N 2.81Å; V26-A29 HydrophobicContact CG2-CB 4.07Å; V26-A32 HydrophobicContact CB-CB 4.43Å; V26-A32 HydrophobicContact CG1-CB 4.38Å; V26-A32 HydrophobicContact CG2-CB 4.01Å; V26-F71 HydrophobicContact CG1-CD1 4.14Å; V26-F71 HydrophobicContact CG2-CB 4.12Å; V26-S72 PolarHBondContact N-O 3.48Å; V26-S73 WeakPolarHBondContact O-CB 3.31Å; V26-S73 PolarHBondContact O-OG 3.23Å; V26-D91 VanDerWaalsContact CA-OD1 3.24Å; V26-D91 WeakPolarHBondContact CA-OD1 3.37Å; V26-D91 HydrophobicContact CB-CB 4.14Å; V26-D91 VanDerWaalsContact CB-CG 3.47Å; V26-D91 WeakPolarHBondContact CB-OD2 3.41Å; V26-D91 HydrophobicContact CG1-CB 3.75Å
27G98.7Very high98.7Very high45 Ų4536.8 Ų36.846%0.46420%0.197SC..SBendtrans-65.3-32.5177.100000112.6D91G27-D91 PolarHBondContact N-OD1 2.93Å
28N98.8Very high98.8Very high65 Ų6535.8 Ų35.835%0.34819%0.192SC..  trans-142.392.5178.8-168.7-31.9000112.6V26 K30 Q31 A32V26-N28 VanDerWaalsContact C-N 3.28Å; V26-N28 PolarHBondContact O-N 2.81Å; N28-K30 PolarHBondContact O-N 2.92Å; N28-K30 PolarHBondContact OD1-N 2.76Å; N28-Q31 HydrophobicContact CB-CB 4.12Å; N28-Q31 HydrophobicContact CB-CG 4.45Å; N28-Q31 WeakPolarHBondContact ND2-CG 3.34Å; N28-Q31 PolarHBondContact ND2-OE1 2.96Å; N28-Q31 PolarHBondContact O-N 3.42Å; N28-Q31 PolarHBondContact OD1-N 3.01Å; N28-A32 WeakPolarHBondContact O-CB 3.29Å; N28-A32 PolarHBondContact O-N 2.86Å
29A98.8Very high98.8Very high2 Ų236.4 Ų36.42%0.01719%0.189CC..Hα-helixtrans-58.4-33.1-178.200000114V26 A33 V58 F71 S73V26-A29 HydrophobicContact CG2-CB 4.07Å; A29-A33 VanDerWaalsContact O-CB 3.26Å; A29-A33 WeakPolarHBondContact O-CB 3.38Å; A29-A33 PolarHBondContact O-N 2.99Å; A29-V58 HydrophobicContact CB-CG1 4.28Å; A29-F71 HydrophobicContact CB-CB 4.11Å; A29-F71 WeakPolarHBondContact CB-O 3.09Å; A29-S73 WeakPolarHBondContact CB-OG 3.46Å; A29-S73 PolarHBondContact N-OG 3.38Å
30K98.8Very high98.8Very high142 Ų14235.7 Ų35.762%0.61719%0.186SC*.Hα-helixtrans-69.3-45.9178.7-176.7-178.9-65.6-1800111.2N28 S34N28-K30 PolarHBondContact O-N 2.92Å; N28-K30 PolarHBondContact OD1-N 2.76Å; K30-S34 WeakPolarHBondContact O-CB 3.23Å; K30-S34 PolarHBondContact O-N 3.42Å
31Q98.8Very high98.7Very high135 Ų13535.5 Ų35.563%0.63119%0.187SC*.Hα-helixtrans-70.6-41178.3-72.9-179.5-4.100111.7N28 S34 Y35N28-Q31 HydrophobicContact CB-CB 4.12Å; N28-Q31 HydrophobicContact CB-CG 4.45Å; N28-Q31 WeakPolarHBondContact ND2-CG 3.34Å; N28-Q31 PolarHBondContact ND2-OE1 2.96Å; N28-Q31 PolarHBondContact O-N 3.42Å; N28-Q31 PolarHBondContact OD1-N 3.01Å; Q31-S34 WeakPolarHBondContact O-CB 3.49Å; Q31-S34 PolarHBondContact O-N 3.21Å; Q31-Y35 PolarHBondContact O-N 3.46Å
32A98.8Very high98.7Very high12 Ų1235.1 Ų35.110%0.09919%0.185CC..Hα-helixtrans-57.4-54173.400000110.5V26 N28 S34 Y35 Y36 F71V26-A32 HydrophobicContact CB-CB 4.43Å; V26-A32 HydrophobicContact CG1-CB 4.38Å; V26-A32 HydrophobicContact CG2-CB 4.01Å; N28-A32 WeakPolarHBondContact O-CB 3.29Å; N28-A32 PolarHBondContact O-N 2.86Å; A32-S34 VanDerWaalsContact C-N 3.26Å; A32-S34 PolarHBondContact O-N 3.18Å; A32-Y35 WeakPolarHBondContact O-CB 3.3Å; A32-Y35 PolarHBondContact O-N 2.95Å; A32-Y36 VanDerWaalsContact O-CD2 3.26Å; A32-Y36 WeakPolarHBondContact O-CD2 3.5Å; A32-Y36 PolarHBondContact O-N 2.97Å; A32-F71 HydrophobicContact CB-CB 4.19Å; A32-F71 HydrophobicContact CB-CD1 3.67Å; A32-F71 HydrophobicContact CB-CE1 4.24Å; A32-F71 HydrophobicContact CB-CG 3.86Å
33A98.8Very high98.7Very high7 Ų741 Ų416%0.05821%0.213CC..Hα-helixtrans-55.4-41.1176.600000112.8A29 C37 H60 V62 F71A29-A33 VanDerWaalsContact O-CB 3.26Å; A29-A33 WeakPolarHBondContact O-CB 3.38Å; A29-A33 PolarHBondContact O-N 2.99Å; A33-C37 WeakPolarHBondContact O-CB 3.04Å; A33-C37 PolarHBondContact O-N 2.97Å; A33-C37 PolarHBondContact O-SG 2.71Å; A33-H60 HydrophobicContact CB-CB 3.57Å; A33-V62 HydrophobicContact CB-CG1 3.9Å; A33-F71 HydrophobicContact CB-CD2 3.92Å
34S98.8Very high98.7Very high53 Ų5342.5 Ų42.537%0.37122%0.223SC..Hα-helixtrans-61.9-44.2174.8-1780000112.7K30 Q31 A32 C37 N38K30-S34 WeakPolarHBondContact O-CB 3.23Å; K30-S34 PolarHBondContact O-N 3.42Å; Q31-S34 WeakPolarHBondContact O-CB 3.49Å; Q31-S34 PolarHBondContact O-N 3.21Å; A32-S34 VanDerWaalsContact C-N 3.26Å; A32-S34 PolarHBondContact O-N 3.18Å; S34-C37 PolarHBondContact O-N 3.16Å; S34-N38 VanDerWaalsContact O-CB 3.28Å; S34-N38 WeakPolarHBondContact O-CB 3.43Å; S34-N38 PolarHBondContact O-N 3.42Å; S34-N38 PolarHBondContact O-ND2 2.79Å; S34-N38 PolarHBondContact OG-ND2 3.23Å; S34-N38 VanDerWaalsContact OG-ND2 3.08Å
35Y98.8Very high98.7Very high85 Ų8544 Ų4433%0.33323%0.231SC..Hα-helixtrans-58.3-51.8176.9175.1-92.7000111.1Q31 A32 C37 N38 K39 V341Q31-Y35 PolarHBondContact O-N 3.46Å; A32-Y35 WeakPolarHBondContact O-CB 3.3Å; A32-Y35 PolarHBondContact O-N 2.95Å; Y35-C37 PolarHBondContact O-N 3.06Å; Y35-N38 PolarHBondContact O-N 3.2Å; Y35-K39 HydrophobicContact CD2-CG 3.74Å; Y35-K39 HydrophobicContact CE2-CB 4.36Å; Y35-K39 HydrophobicContact CE2-CG 3.63Å; Y35-K39 HydrophobicContact CG-CG 4.27Å; Y35-K39 WeakPolarHBondContact O-CB 3.26Å; Y35-K39 WeakPolarHBondContact O-CG 3.39Å; Y35-K39 PolarHBondContact O-N 3.08Å; Y35-V341 HydrophobicContact CE1-CB 4.26Å; Y35-V341 HydrophobicContact CE1-CG1 4.37Å
36Y98.8Very high98.7Very high13 Ų1342.4 Ų42.45%0.05123%0.226CC..Hα-helixtrans-67-36.2-178.5-75.4-105.5000112.2A32 L40 G41 F42 Y69 F71 V341 L349A32-Y36 VanDerWaalsContact O-CD2 3.26Å; A32-Y36 WeakPolarHBondContact O-CD2 3.5Å; A32-Y36 PolarHBondContact O-N 2.97Å; Y36-L40 HydrophobicContact CD1-CD1 3.36Å; Y36-L40 HydrophobicContact CE1-CD1 3.84Å; Y36-L40 HydrophobicContact CG-CD1 4.04Å; Y36-L40 CarbonylContact O-C 3.52Å; Y36-L40 WeakPolarHBondContact O-CA 3.27Å; Y36-L40 VanDerWaalsContact O-CB 3.31Å; Y36-L40 WeakPolarHBondContact O-CB 3.31Å; Y36-L40 PolarHBondContact O-N 2.63Å; Y36-G41 PolarHBondContact O-N 3.11Å; Y36-F42 PolarHBondContact O-N 3.34Å; Y36-Y69 AromaticContact CD1-CD2 3.83Å; Y36-Y69 HydrophobicContact CD1-CD2 3.83Å; Y36-Y69 HydrophobicContact CD1-CE2 4.02Å; Y36-Y69 HydrophobicContact CE1-CD2 4.03Å; Y36-Y69 HydrophobicContact CE1-CE2 4.03Å; Y36-F71 AromaticContact CD1-CZ 3.78Å; Y36-F71 HydrophobicContact CD1-CZ 3.78Å; Y36-F71 AromaticContact CD2-CE1 3.7Å; Y36-F71 HydrophobicContact CD2-CE1 3.7Å; Y36-F71 AromaticContact CD2-CE2 3.89Å; Y36-F71 HydrophobicContact CD2-CE2 3.89Å; Y36-F71 AromaticContact CD2-CZ 3.2Å; Y36-F71 HydrophobicContact CD2-CZ 3.2Å; Y36-F71 HydrophobicContact CE1-CE1 4.4Å; Y36-F71 AromaticContact CE1-CZ 3.94Å; Y36-F71 HydrophobicContact CE1-CZ 3.94Å; Y36-F71 AromaticContact CE2-CE1 3.41Å; Y36-F71 HydrophobicContact CE2-CE1 3.41Å; Y36-F71 VanDerWaalsContact CE2-CE1 3.41Å; Y36-F71 HydrophobicContact CE2-CE2 4.44Å; Y36-F71 AromaticContact CE2-CZ 3.38Å; Y36-F71 HydrophobicContact CE2-CZ 3.38Å; Y36-F71 HydrophobicContact CG-CE1 4.31Å; Y36-F71 AromaticContact CG-CE2 3.96Å; Y36-F71 HydrophobicContact CG-CE2 3.96Å; Y36-F71 AromaticContact CG-CZ 3.41Å; Y36-F71 HydrophobicContact CG-CZ 3.41Å; Y36-F71 VanDerWaalsContact CG-CZ 3.41Å; Y36-F71 AromaticContact CZ-CE1 3.79Å; Y36-F71 AromaticContact CZ-CZ 3.74Å; Y36-V341 WeakPolarHBondContact OH-CG2 3.19Å; Y36-L349 HydrophobicContact CE1-CD1 4.02Å
37C98.8Very high98.7Very high6 Ų642.8 Ų42.84%0.04123%0.226CC..Hα-helixtrans-65.1-48.3174-70.20000112.1A33 S34 Y35 G41 F42 V62 L171 R285A33-C37 WeakPolarHBondContact O-CB 3.04Å; A33-C37 PolarHBondContact O-N 2.97Å; A33-C37 PolarHBondContact O-SG 2.71Å; S34-C37 PolarHBondContact O-N 3.16Å; Y35-C37 PolarHBondContact O-N 3.06Å; C37-G41 WeakPolarHBondContact O-CA 3.28Å; C37-G41 PolarHBondContact O-N 3.08Å; C37-F42 WeakPolarHBondContact CA-O 3.33Å; C37-F42 VanDerWaalsContact CB-O 3.29Å; C37-F42 WeakPolarHBondContact CB-O 2.93Å; C37-F42 PolarHBondContact SG-O 2.97Å; C37-F42 VanDerWaalsContact SG-O 3.42Å; C37-V62 VanDerWaalsContact SG-CG1 3.59Å; C37-L171 HydrophobicContact CB-CD1 3.97Å; C37-L171 HydrophobicContact CB-CD2 3.73Å; C37-R285 PolarHBondContact O-NH1 2.96Å
38N98.5Very high98.6Very high30 Ų3044.3 Ų44.316%0.1622%0.218CC..Hα-helixtrans-72.5-47.7-175.9-75.5-49.8000112.4S34 Y35 L171 R285S34-N38 VanDerWaalsContact O-CB 3.28Å; S34-N38 WeakPolarHBondContact O-CB 3.43Å; S34-N38 PolarHBondContact O-N 3.42Å; S34-N38 PolarHBondContact O-ND2 2.79Å; S34-N38 PolarHBondContact OG-ND2 3.23Å; S34-N38 VanDerWaalsContact OG-ND2 3.08Å; Y35-N38 PolarHBondContact O-N 3.2Å; N38-L171 WeakPolarHBondContact OD1-CD2 3.46Å; N38-R285 WeakPolarHBondContact O-CD 3.34Å; N38-R285 PolarHBondContact O-NH1 3.17Å
39K98.6Very high98.6Very high65 Ų6541.2 Ų41.228%0.28320%0.201SC..Hα-helixtrans-81.3-41-174.5-62.6-57.4-169.1165.60113.1Y35 L282 R285 G286 T287Y35-K39 HydrophobicContact CD2-CG 3.74Å; Y35-K39 HydrophobicContact CE2-CB 4.36Å; Y35-K39 HydrophobicContact CE2-CG 3.63Å; Y35-K39 HydrophobicContact CG-CG 4.27Å; Y35-K39 WeakPolarHBondContact O-CB 3.26Å; Y35-K39 WeakPolarHBondContact O-CG 3.39Å; Y35-K39 PolarHBondContact O-N 3.08Å; K39-L282 WeakPolarHBondContact O-CD2 3.31Å; K39-R285 WeakPolarHBondContact CD-O 3.44Å; K39-R285 PolarHBondContact NZ-O 2.82Å; K39-R285 WeakPolarHBondContact O-CB 3.23Å; K39-R285 WeakPolarHBondContact O-CD 3.19Å; K39-G286 PolarHBondContact NZ-O 3.16Å; K39-G286 VanDerWaalsContact NZ-O 3.08Å; K39-T287 PolarHBondContact O-OG1 2.83Å
40L98.4Very high98.6Very high1 Ų144.9 Ų44.91%0.00522%0.22CC..Hα-helixtrans-106.4-2.5-170.3-61.8163.4000114Y36 F42 Q64 L282 T287 L349Y36-L40 HydrophobicContact CD1-CD1 3.36Å; Y36-L40 HydrophobicContact CE1-CD1 3.84Å; Y36-L40 HydrophobicContact CG-CD1 4.04Å; Y36-L40 CarbonylContact O-C 3.52Å; Y36-L40 WeakPolarHBondContact O-CA 3.27Å; Y36-L40 VanDerWaalsContact O-CB 3.31Å; Y36-L40 WeakPolarHBondContact O-CB 3.31Å; Y36-L40 PolarHBondContact O-N 2.63Å; L40-F42 HydrophobicContact CB-CD2 3.77Å; L40-F42 HydrophobicContact CB-CE2 3.89Å; L40-Q64 PolarHBondContact O-NE2 3.47Å; L40-L282 HydrophobicContact CB-CD2 4.47Å; L40-L282 HydrophobicContact CD2-CD2 4.2Å; L40-T287 HydrophobicContact CD2-CG2 3.96Å; L40-L349 HydrophobicContact CD1-CD1 3.26Å; L40-L349 HydrophobicContact CD2-CD1 4.15Å; L40-L349 HydrophobicContact CG-CD1 4.35Å
41G98.3Very high98.6Very high9 Ų944.1 Ų44.19%0.09322%0.219CC..  trans79.420.7175.800000114.6Y36 C37 Q64Y36-G41 PolarHBondContact O-N 3.11Å; C37-G41 WeakPolarHBondContact O-CA 3.28Å; C37-G41 PolarHBondContact O-N 3.08Å; G41-Q64 PolarHBondContact O-NE2 3.01Å
42F98.7Very high98.5Very high1 Ų139.1 Ų39.10%0.00420%0.198CC..  trans-72.5160.8169.3-73.8-104.5000111.8Y36 C37 L40 V62 K63 Q64 I67 Y69 M270Y36-F42 PolarHBondContact O-N 3.34Å; C37-F42 WeakPolarHBondContact CA-O 3.33Å; C37-F42 VanDerWaalsContact CB-O 3.29Å; C37-F42 WeakPolarHBondContact CB-O 2.93Å; C37-F42 PolarHBondContact SG-O 2.97Å; C37-F42 VanDerWaalsContact SG-O 3.42Å; L40-F42 HydrophobicContact CB-CD2 3.77Å; L40-F42 HydrophobicContact CB-CE2 3.89Å; F42-V62 HydrophobicContact CB-CB 4.07Å; F42-V62 HydrophobicContact CB-CG2 3.99Å; F42-V62 HydrophobicContact CD1-CB 4.33Å; F42-V62 HydrophobicContact CD1-CG2 3.74Å; F42-V62 HydrophobicContact CG-CG2 4.07Å; F42-K63 VanDerWaalsContact CD1-C 3.49Å; F42-Q64 HydrophobicContact CD1-CB 3.8Å; F42-Q64 HydrophobicContact CD2-CB 4.37Å; F42-Q64 HydrophobicContact CE1-CB 3.96Å; F42-Q64 HydrophobicContact CG-CB 4.02Å; F42-Q64 HydrophobicContact CZ-CB 4.31Å; F42-I67 HydrophobicContact CE1-CB 3.99Å; F42-I67 HydrophobicContact CE1-CG2 3.66Å; F42-I67 HydrophobicContact CZ-CB 4.22Å; F42-I67 HydrophobicContact CZ-CG2 3.7Å; F42-Y69 AromaticContact CE1-CD2 3.82Å; F42-Y69 HydrophobicContact CE1-CD2 3.82Å; F42-Y69 HydrophobicContact CE1-CE2 4.02Å; F42-Y69 HydrophobicContact CE1-CG 4.34Å; F42-Y69 HydrophobicContact CE2-CD2 4.33Å; F42-Y69 HydrophobicContact CE2-CE2 4.07Å; F42-Y69 AromaticContact CZ-CD2 3.68Å; F42-Y69 HydrophobicContact CZ-CD2 3.68Å; F42-Y69 AromaticContact CZ-CE2 3.43Å; F42-Y69 HydrophobicContact CZ-CE2 3.43Å; F42-Y69 VanDerWaalsContact CZ-CE2 3.43Å; F42-M270 HydrophobicContact CE2-SD 4.29Å; F42-M270 HydrophobicContact CZ-SD 4.15Å
43E98.4Very high98.4Very high125 Ų12541.4 Ų41.458%0.58422%0.222SC*.EExtended strand (participates in β ladder)trans-124.8148.1173.3-64.3-175175.800110.9L45 V62 K63E43-L45 PolarHBondContact O-N 2.9Å; E43-V62 CarbonylContact O-C 3.52Å; E43-V62 VanDerWaalsContact O-CA 3.23Å; E43-V62 WeakPolarHBondContact O-CA 3.34Å; E43-K63 PolarHBondContact N-O 3.01Å; E43-K63 PolarHBondContact O-N 3.42Å
44P98.6Very high98.4Very high51 Ų5142.3 Ų42.333%0.33123%0.228SC..EExtended strand (participates in β ladder)trans-58.4123.1173.3-2434.4000111.8P164 L171P44-P164 HydrophobicContact CB-CB 3.66Å; P44-P164 HydrophobicContact CB-CG 3.58Å; P44-L171 HydrophobicContact CG-CD1 4.33Å
45L98.6Very high98.3Very high33 Ų3347.7 Ų47.717%0.17324%0.24CC..EExtended strand (participates in β ladder)trans-97.7-50.3176.7174.464.6000111.2E43 A61 K63 I68 F157 P164E43-L45 PolarHBondContact O-N 2.9Å; L45-A61 HydrophobicContact CB-CB 4.42Å; L45-A61 WeakPolarHBondContact CB-O 3.44Å; L45-A61 PolarHBondContact N-O 3.2Å; L45-K63 HydrophobicContact CB-CB 3.87Å; L45-K63 HydrophobicContact CD1-CB 4.46Å; L45-K63 HydrophobicContact CD1-CD 3.94Å; L45-K63 HydrophobicContact CD2-CB 4.15Å; L45-K63 HydrophobicContact CD2-CD 4.19Å; L45-K63 HydrophobicContact CG-CB 4.38Å; L45-I68 HydrophobicContact CD2-CD1 3.89Å; L45-I68 HydrophobicContact CD2-CG1 4.13Å; L45-I68 HydrophobicContact CD2-CG2 3.98Å; L45-F157 HydrophobicContact CD2-CB 4.12Å; L45-F157 HydrophobicContact CD2-CD2 4.07Å; L45-F157 HydrophobicContact CD2-CG 4.14Å; L45-F157 HydrophobicContact CG-CB 4.48Å; L45-P164 WeakPolarHBondContact O-CD 3.46Å
46A98.6Very high98.3Very high3 Ų348.9 Ų48.93%0.02525%0.252CS..EExtended strand (participates in β ladder)trans-155.1160.4-171.900000112.8A61 L156 F157 F161 H162A46-A61 HydrophobicContact CB-CB 3.88Å; A46-A61 PolarHBondContact N-O 3.22Å; A46-A61 VanDerWaalsContact N-O 3.08Å; A46-A61 PolarHBondContact O-N 2.64Å; A46-L156 HydrophobicContact CB-CD1 3.17Å; A46-F157 HydrophobicContact CB-CB 4.15Å; A46-F157 HydrophobicContact CB-CD1 4.45Å; A46-F161 HydrophobicContact CB-CB 3.91Å; A46-F161 HydrophobicContact CB-CD1 3.74Å; A46-F161 HydrophobicContact CB-CG 4.22Å; A46-H162 CarbonylContact C-O 3.55Å; A46-H162 WeakPolarHBondContact CA-O 3.39Å
47Y98.8Very high98.3Very high16 Ų1649.9 Ų49.96%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-137.7143.8177.8177.4-101.4000111.8E51 T52 V58 H60 H162 L165Y47-E51 VanDerWaalsContact CE1-OE2 3.32Å; Y47-E51 WeakPolarHBondContact CE1-OE2 3.33Å; Y47-E51 PolarHBondContact OH-OE2 2.98Å; Y47-T52 HydrophobicContact CD1-CG2 3.79Å; Y47-T52 HydrophobicContact CE1-CG2 4.06Å; Y47-V58 HydrophobicContact CE2-CG2 3.56Å; Y47-H60 AromaticContact CD2-CE1 3.58Å; Y47-H60 AromaticContact CD2-ND1 3.74Å; Y47-H60 AromaticContact CD2-NE2 3.9Å; Y47-H60 AromaticContact CE2-CE1 3.57Å; Y47-H60 AromaticContact CE2-NE2 3.53Å; Y47-H162 PolarHBondContact N-O 3.37Å; Y47-H162 PolarHBondContact O-N 3.41Å; Y47-L165 HydrophobicContact CD1-CD1 3.66Å; Y47-L165 HydrophobicContact CD1-CD2 4.23Å; Y47-L165 HydrophobicContact CD1-CG 3.58Å; Y47-L165 HydrophobicContact CE1-CD1 3.31Å; Y47-L165 HydrophobicContact CE1-CG 3.82Å; Y47-L165 HydrophobicContact CG-CD1 4.42Å; Y47-L165 HydrophobicContact CG-CG 4.14Å
48R98.4Very high98.3Very high77 Ų7750.5 Ų50.529%0.29126%0.263SS..EExtended strand (participates in β ladder)trans-139.6129.2167.3178.7-179.269-177.4-2.2108.3T52 S54 V58 S59 G160 F161R48-T52 WeakPolarHBondContact CA-OG1 2.76Å; R48-S54 VanDerWaalsContact CG-CB 3.45Å; R48-V58 CarbonylContact O-C 3.07Å; R48-V58 WeakPolarHBondContact O-CA 3.41Å; R48-S59 PolarHBondContact N-O 3.06Å; R48-S59 PolarHBondContact NH2-OG 3.1Å; R48-S59 VanDerWaalsContact NH2-OG 3.1Å; R48-S59 PolarHBondContact O-N 2.99Å; R48-G160 WeakPolarHBondContact CG-O 3.45Å; R48-F161 HydrophobicContact CB-CD1 3.96Å; R48-F161 HydrophobicContact CB-CE1 4.04Å; R48-F161 HydrophobicContact CB-CG 4.29Å; R48-F161 HydrophobicContact CB-CZ 4.43Å
49G98.6Very high98.3Very high0 Ų049 Ų490%026%0.255CS..SBendtrans-175.1-158.2179.100000112E51 T52 G53 S54G49-E51 VanDerWaalsContact C-N 3.28Å; G49-E51 PolarHBondContact O-N 3.02Å; G49-T52 PolarHBondContact N-OG1 3.2Å; G49-T52 CarbonylContact O-C 3.44Å; G49-T52 PolarHBondContact O-N 2.9Å; G49-T52 PolarHBondContact O-OG1 2.88Å; G49-T52 VanDerWaalsContact O-OG1 3.06Å; G49-G53 PolarHBondContact O-N 2.9Å; G49-S54 CarbonylContact C-O 3.49Å; G49-S54 PolarHBondContact O-N 3.08Å
50L98.4Very high98.3Very high78 Ų7847.7 Ų47.741%0.40825%0.25SS..G310 helixtrans-55.5-43.8-174.6-68.4176000112.5T52 G53 S54 L75L50-T52 PolarHBondContact O-N 3.19Å; L50-G53 PolarHBondContact O-N 2.85Å; L50-G53 VanDerWaalsContact O-N 3.17Å; L50-S54 WeakPolarHBondContact CA-O 3.17Å; L50-S54 PolarHBondContact N-O 3.44Å; L50-L75 HydrophobicContact CD1-CD2 4.32Å; L50-L75 HydrophobicContact CD2-CD1 3.81Å; L50-L75 HydrophobicContact CG-CD1 3.88Å; L50-L75 HydrophobicContact CG-CD2 4.15Å
51E98.1Very high98.4Very high126 Ų12647.7 Ų47.759%0.58925%0.25SS*.G310 helixtrans-67-17.7-179-54.884.2171.300112.6Y47 G49 L165Y47-E51 VanDerWaalsContact CE1-OE2 3.32Å; Y47-E51 WeakPolarHBondContact CE1-OE2 3.33Å; Y47-E51 PolarHBondContact OH-OE2 2.98Å; G49-E51 VanDerWaalsContact C-N 3.28Å; G49-E51 PolarHBondContact O-N 3.02Å; E51-L165 HydrophobicContact CB-CD1 3.99Å; E51-L165 HydrophobicContact CG-CD1 3.85Å
52T97.3Very high98.4Very high31 Ų3147.4 Ų47.419%0.1925%0.246CC..G310 helixtrans-112.214.5178.974.80000112.4Y47 R48 G49 L50 S54 H162Y47-T52 HydrophobicContact CD1-CG2 3.79Å; Y47-T52 HydrophobicContact CE1-CG2 4.06Å; R48-T52 WeakPolarHBondContact CA-OG1 2.76Å; G49-T52 PolarHBondContact N-OG1 3.2Å; G49-T52 CarbonylContact O-C 3.44Å; G49-T52 PolarHBondContact O-N 2.9Å; G49-T52 PolarHBondContact O-OG1 2.88Å; G49-T52 VanDerWaalsContact O-OG1 3.06Å; L50-T52 PolarHBondContact O-N 3.19Å; T52-S54 PolarHBondContact O-N 3.05Å; T52-H162 WeakPolarHBondContact CB-CD2 3.47Å; T52-H162 HydrophobicContact CG2-CB 3.84Å
53G96.9Very high98.4Very high59 Ų5951.4 Ų51.461%0.60826%0.264SS*.THydrogen-bonded Turntrans83.91.4176.500000115.8G49 L50 R55G49-G53 PolarHBondContact O-N 2.9Å; L50-G53 PolarHBondContact O-N 2.85Å; L50-G53 VanDerWaalsContact O-N 3.17Å; G53-R55 PolarHBondContact O-N 3.26Å
54S97.6Very high98.4Very high26 Ų2646.1 Ų46.118%0.18224%0.239CC..  trans-86.7110.5172.6-164.10000109.9R48 G49 L50 T52 V57 L75R48-S54 VanDerWaalsContact CG-CB 3.45Å; G49-S54 CarbonylContact C-O 3.49Å; G49-S54 PolarHBondContact O-N 3.08Å; L50-S54 WeakPolarHBondContact CA-O 3.17Å; L50-S54 PolarHBondContact N-O 3.44Å; T52-S54 PolarHBondContact O-N 3.05Å; S54-V57 PolarHBondContact OG-O 2.86Å; S54-L75 WeakPolarHBondContact O-CD1 3.43Å
55R97.9Very high98.3Very high166 Ų16645.7 Ų45.763%0.62624%0.244SC*.  trans-98-18.3-168.8-58.2-159.969.881.23115G53 N76G53-R55 PolarHBondContact O-N 3.26Å; R55-N76 PolarHBondContact O-ND2 3.43Å
56D98.2Very high98.3Very high110 Ų11051 Ų5159%0.58827%0.266SS*.SBendtrans-103-33.1-175.8-59.8-53.9000113.2L75 N76D56-L75 PolarHBondContact O-N 2.84Å; D56-N76 PolarHBondContact OD1-ND2 3.46Å
57V98.7Very high98.3Very high35 Ų3551 Ų5121%0.21227%0.265CS..EExtended strand (participates in β ladder)trans-134.7132.7-175.4-178.40000109.8S54 S73 M82S54-V57 PolarHBondContact OG-O 2.86Å; V57-S73 WeakPolarHBondContact CA-O 3.4Å; V57-M82 HydrophobicContact CG1-CE 4.4Å; V57-M82 HydrophobicContact CG1-SD 4.18Å; V57-M82 HydrophobicContact CG2-SD 3.76Å
58V98.8Very high98.3Very high18 Ų1851.2 Ų51.211%0.10927%0.267CS..EExtended strand (participates in β ladder)trans-98.1140.5166.460.20000109.1A29 Y47 R48 S72 S73 L75A29-V58 HydrophobicContact CB-CG1 4.28Å; Y47-V58 HydrophobicContact CE2-CG2 3.56Å; R48-V58 CarbonylContact O-C 3.07Å; R48-V58 WeakPolarHBondContact O-CA 3.41Å; V58-S72 CarbonylContact O-C 3.59Å; V58-S72 WeakPolarHBondContact O-CA 3.31Å; V58-S73 PolarHBondContact N-O 3.23Å; V58-S73 PolarHBondContact O-N 2.87Å; V58-L75 HydrophobicContact CB-CD1 4.21Å; V58-L75 HydrophobicContact CB-CD2 3.92Å; V58-L75 HydrophobicContact CB-CG 4.01Å; V58-L75 HydrophobicContact CG1-CD2 3.98Å; V58-L75 HydrophobicContact CG1-CG 4.2Å
59S98.9Very high98.4Very high0 Ų047.5 Ų47.50%025%0.253CS..EExtended strand (participates in β ladder)trans-135.6123.5178.6-57.50000110.6R48 F71 S72R48-S59 PolarHBondContact N-O 3.06Å; R48-S59 PolarHBondContact NH2-OG 3.1Å; R48-S59 VanDerWaalsContact NH2-OG 3.1Å; R48-S59 PolarHBondContact O-N 2.99Å; S59-F71 CarbonylContact C-O 3.47Å; S59-F71 VanDerWaalsContact CA-O 3.27Å; S59-F71 WeakPolarHBondContact CA-O 3.42Å; S59-S72 PolarHBondContact OG-OG 2.84Å
60H98.9Very high98.4Very high37 Ų3747.7 Ų47.717%0.17125%0.254CS..EExtended strand (participates in β ladder)trans-105.5110.9169.6-72.6-96.8000108.9A33 Y47 F71A33-H60 HydrophobicContact CB-CB 3.57Å; Y47-H60 AromaticContact CD2-CE1 3.58Å; Y47-H60 AromaticContact CD2-ND1 3.74Å; Y47-H60 AromaticContact CD2-NE2 3.9Å; Y47-H60 AromaticContact CE2-CE1 3.57Å; Y47-H60 AromaticContact CE2-NE2 3.53Å; H60-F71 PolarHBondContact N-O 2.97Å; H60-F71 PolarHBondContact O-N 2.84Å
61A98.9Very high98.4Very high1 Ų144 Ų441%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-91.4129.217200000109.6L45 A46 Y69 V70 F157 F161L45-A61 HydrophobicContact CB-CB 4.42Å; L45-A61 WeakPolarHBondContact CB-O 3.44Å; L45-A61 PolarHBondContact N-O 3.2Å; A46-A61 HydrophobicContact CB-CB 3.88Å; A46-A61 PolarHBondContact N-O 3.22Å; A46-A61 VanDerWaalsContact N-O 3.08Å; A46-A61 PolarHBondContact O-N 2.64Å; A61-Y69 CarbonylContact C-O 3.53Å; A61-Y69 VanDerWaalsContact CA-O 3.31Å; A61-Y69 WeakPolarHBondContact CA-O 3.35Å; A61-V70 HydrophobicContact CB-CG2 4.12Å; A61-F157 HydrophobicContact CB-CD1 4.18Å; A61-F157 HydrophobicContact CB-CE1 4.24Å; A61-F161 HydrophobicContact CB-CE1 4.31Å
62V98.8Very high98.5Very high2 Ų238.2 Ų38.21%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-123.5152.8176.6-560000109.8A33 C37 F42 E43 I68 Y69 F71A33-V62 HydrophobicContact CB-CG1 3.9Å; C37-V62 VanDerWaalsContact SG-CG1 3.59Å; F42-V62 HydrophobicContact CB-CB 4.07Å; F42-V62 HydrophobicContact CB-CG2 3.99Å; F42-V62 HydrophobicContact CD1-CB 4.33Å; F42-V62 HydrophobicContact CD1-CG2 3.74Å; F42-V62 HydrophobicContact CG-CG2 4.07Å; E43-V62 CarbonylContact O-C 3.52Å; E43-V62 VanDerWaalsContact O-CA 3.23Å; E43-V62 WeakPolarHBondContact O-CA 3.34Å; V62-I68 WeakPolarHBondContact O-CA 3.37Å; V62-Y69 PolarHBondContact N-O 3.42Å; V62-Y69 PolarHBondContact O-N 2.97Å; V62-F71 HydrophobicContact CG2-CD2 4.33Å; V62-F71 HydrophobicContact CG2-CE2 3.67Å
63K98.8Very high98.5Very high86 Ų8637.1 Ų37.137%0.37420%0.202SC..EExtended strand (participates in β ladder)trans-138.4144.8-173.9-179.2176.4176.1177.30112.4F42 E43 L45 G65 I67 I68F42-K63 VanDerWaalsContact CD1-C 3.49Å; E43-K63 PolarHBondContact N-O 3.01Å; E43-K63 PolarHBondContact O-N 3.42Å; L45-K63 HydrophobicContact CB-CB 3.87Å; L45-K63 HydrophobicContact CD1-CB 4.46Å; L45-K63 HydrophobicContact CD1-CD 3.94Å; L45-K63 HydrophobicContact CD2-CB 4.15Å; L45-K63 HydrophobicContact CD2-CD 4.19Å; L45-K63 HydrophobicContact CG-CB 4.38Å; K63-G65 WeakPolarHBondContact CE-O 3.48Å; K63-I67 CarbonylContact C-O 3.54Å; K63-I67 VanDerWaalsContact CA-O 3.22Å; K63-I67 WeakPolarHBondContact CA-O 3.4Å; K63-I68 HydrophobicContact CB-CG1 4.34Å; K63-I68 HydrophobicContact CD-CG1 4.29Å; K63-I68 HydrophobicContact CG-CG1 4.08Å
64Q98.4Very high98.6Very high14 Ų1436.2 Ų36.27%0.06519%0.188CC..EExtended strand (participates in β ladder)trans-143.8123.3164.8-168.4177176.200108.4L40 G41 F42 K66 I67 L179L40-Q64 PolarHBondContact O-NE2 3.47Å; G41-Q64 PolarHBondContact O-NE2 3.01Å; F42-Q64 HydrophobicContact CD1-CB 3.8Å; F42-Q64 HydrophobicContact CD2-CB 4.37Å; F42-Q64 HydrophobicContact CE1-CB 3.96Å; F42-Q64 HydrophobicContact CG-CB 4.02Å; F42-Q64 HydrophobicContact CZ-CB 4.31Å; Q64-K66 PolarHBondContact O-N 2.7Å; Q64-K66 VanDerWaalsContact O-N 3.13Å; Q64-I67 PolarHBondContact N-O 2.88Å; Q64-I67 WeakPolarHBondContact O-CB 3.44Å; Q64-I67 PolarHBondContact O-N 2.88Å; Q64-L179 HydrophobicContact CG-CB 4.26Å; Q64-L179 VanDerWaalsContact OE1-N 3.15Å
65G97.8Very high98.7Very high41 Ų4137.5 Ų37.542%0.42319%0.193SC..THydrogen-bonded Turntrans58.1-117.9-170.100000111K63 D180K63-G65 WeakPolarHBondContact CE-O 3.48Å; G65-D180 CarbonylContact C-O 3.49Å; G65-D180 WeakPolarHBondContact CA-O 3.2Å
66K98.3Very high98.7Very high146 Ų14633.2 Ų33.264%0.63518%0.183SC*.THydrogen-bonded Turntrans-100.5-5.9171.5-58.9175.4-172.4164.70113.4Q64 I68 D180 F181Q64-K66 PolarHBondContact O-N 2.7Å; Q64-K66 VanDerWaalsContact O-N 3.13Å; K66-I68 PolarHBondContact O-N 2.68Å; K66-D180 WeakPolarHBondContact CA-O 3.22Å; K66-D180 PolarHBondContact N-O 3.48Å; K66-F181 HydrophobicContact CB-CB 4.06Å; K66-F181 HydrophobicContact CD-CB 4.35Å
67I98.8Very high98.6Very high1 Ų134.3 Ų34.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-72.5127.2177.4-51.1160.1000108.6F42 K63 Q64 Y69 L179 D180 I182 M270F42-I67 HydrophobicContact CE1-CB 3.99Å; F42-I67 HydrophobicContact CE1-CG2 3.66Å; F42-I67 HydrophobicContact CZ-CB 4.22Å; F42-I67 HydrophobicContact CZ-CG2 3.7Å; K63-I67 CarbonylContact C-O 3.54Å; K63-I67 VanDerWaalsContact CA-O 3.22Å; K63-I67 WeakPolarHBondContact CA-O 3.4Å; Q64-I67 PolarHBondContact N-O 2.88Å; Q64-I67 WeakPolarHBondContact O-CB 3.44Å; Q64-I67 PolarHBondContact O-N 2.88Å; I67-Y69 HydrophobicContact CG2-CD1 4.18Å; I67-Y69 HydrophobicContact CG2-CE1 3.67Å; I67-Y69 HydrophobicContact CG2-CE2 4.29Å; I67-L179 HydrophobicContact CD1-CB 3.65Å; I67-D180 PolarHBondContact N-O 3.43Å; I67-I182 HydrophobicContact CB-CG1 4.35Å; I67-I182 HydrophobicContact CG1-CG1 4.14Å; I67-I182 HydrophobicContact CG2-CD1 4.12Å; I67-I182 HydrophobicContact CG2-CG1 3.79Å; I67-M270 HydrophobicContact CD1-CB 3.8Å; I67-M270 HydrophobicContact CD1-CG 3.83Å; I67-M270 HydrophobicContact CD1-SD 4.22Å
68I98.9Very high98.4Very high21 Ų2136.3 Ų36.311%0.10822%0.223CC..EExtended strand (participates in β ladder)trans-127.5124.9175.4-58.8174000108.8H21 L22 L45 V62 K63 K66 V70 F157H21-I68 CarbonylContact C-O 3.54Å; H21-I68 VanDerWaalsContact CA-O 3.24Å; H21-I68 WeakPolarHBondContact CA-O 3.37Å; H21-I68 HydrophobicContact CB-CB 3.74Å; H21-I68 HydrophobicContact CB-CG2 3.73Å; H21-I68 WeakPolarHBondContact CB-O 3.44Å; L22-I68 PolarHBondContact N-O 3.41Å; L45-I68 HydrophobicContact CD2-CD1 3.89Å; L45-I68 HydrophobicContact CD2-CG1 4.13Å; L45-I68 HydrophobicContact CD2-CG2 3.98Å; V62-I68 WeakPolarHBondContact O-CA 3.37Å; K63-I68 HydrophobicContact CB-CG1 4.34Å; K63-I68 HydrophobicContact CD-CG1 4.29Å; K63-I68 HydrophobicContact CG-CG1 4.08Å; K66-I68 PolarHBondContact O-N 2.68Å; I68-V70 HydrophobicContact CG2-CG2 4.43Å; I68-F157 HydrophobicContact CD1-CD2 4.2Å; I68-F157 HydrophobicContact CD1-CE2 4.16Å; I68-F157 HydrophobicContact CG2-CD2 4.43Å; I68-F157 HydrophobicContact CG2-CE2 3.88Å; I68-F157 HydrophobicContact CG2-CZ 4.16Å
69Y98.9Very high98.3Very high0 Ų037.4 Ų37.40%023%0.232CC..EExtended strand (participates in β ladder)trans-115.3137.2170.9-63.6-26.4000110.3L22 F24 Y36 F42 A61 V62 I67 F71 I182 I268 M270L22-Y69 HydrophobicContact CB-CD1 3.96Å; L22-Y69 HydrophobicContact CB-CE1 4.23Å; L22-Y69 HydrophobicContact CD2-CE1 4.37Å; L22-Y69 CarbonylContact O-C 3.6Å; L22-Y69 WeakPolarHBondContact O-CA 3.45Å; F24-Y69 AromaticContact CE2-CD1 3.79Å; F24-Y69 HydrophobicContact CE2-CD1 3.79Å; F24-Y69 HydrophobicContact CE2-CD2 4.24Å; F24-Y69 HydrophobicContact CE2-CE1 4.28Å; F24-Y69 AromaticContact CE2-CG 3.78Å; F24-Y69 HydrophobicContact CE2-CG 3.78Å; Y36-Y69 AromaticContact CD1-CD2 3.83Å; Y36-Y69 HydrophobicContact CD1-CD2 3.83Å; Y36-Y69 HydrophobicContact CD1-CE2 4.02Å; Y36-Y69 HydrophobicContact CE1-CD2 4.03Å; Y36-Y69 HydrophobicContact CE1-CE2 4.03Å; F42-Y69 AromaticContact CE1-CD2 3.82Å; F42-Y69 HydrophobicContact CE1-CD2 3.82Å; F42-Y69 HydrophobicContact CE1-CE2 4.02Å; F42-Y69 HydrophobicContact CE1-CG 4.34Å; F42-Y69 HydrophobicContact CE2-CD2 4.33Å; F42-Y69 HydrophobicContact CE2-CE2 4.07Å; F42-Y69 AromaticContact CZ-CD2 3.68Å; F42-Y69 HydrophobicContact CZ-CD2 3.68Å; F42-Y69 AromaticContact CZ-CE2 3.43Å; F42-Y69 HydrophobicContact CZ-CE2 3.43Å; F42-Y69 VanDerWaalsContact CZ-CE2 3.43Å; A61-Y69 CarbonylContact C-O 3.53Å; A61-Y69 VanDerWaalsContact CA-O 3.31Å; A61-Y69 WeakPolarHBondContact CA-O 3.35Å; V62-Y69 PolarHBondContact N-O 3.42Å; V62-Y69 PolarHBondContact O-N 2.97Å; I67-Y69 HydrophobicContact CG2-CD1 4.18Å; I67-Y69 HydrophobicContact CG2-CE1 3.67Å; I67-Y69 HydrophobicContact CG2-CE2 4.29Å; Y69-F71 HydrophobicContact CD2-CZ 4.23Å; Y69-F71 HydrophobicContact CG-CZ 4.47Å; Y69-I182 HydrophobicContact CE1-CD1 4.21Å; Y69-I268 HydrophobicContact CE1-CD1 4.33Å; Y69-I268 HydrophobicContact CE1-CG2 4.34Å; Y69-I268 WeakPolarHBondContact OH-CG2 3.5Å; Y69-M270 HydrophobicContact CE2-SD 4.39Å; Y69-M270 PolarHBondContact OH-SD 2.73Å; Y69-M270 VanDerWaalsContact OH-SD 3.41Å
70V98.9Very high98.2Very high4 Ų444.6 Ų44.62%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-116.6105.3178.1-174.20000108.6H21 L22 T23 F24 A61 I68 F157 F161H21-V70 HydrophobicContact CB-CG2 4.48Å; L22-V70 PolarHBondContact O-N 3.23Å; T23-V70 CarbonylContact C-O 3.55Å; T23-V70 WeakPolarHBondContact CA-O 3.38Å; T23-V70 HydrophobicContact CG2-CB 4.38Å; T23-V70 HydrophobicContact CG2-CG1 4.5Å; F24-V70 PolarHBondContact N-O 3.38Å; A61-V70 HydrophobicContact CB-CG2 4.12Å; I68-V70 HydrophobicContact CG2-CG2 4.43Å; V70-F157 HydrophobicContact CG2-CE1 3.78Å; V70-F157 HydrophobicContact CG2-CZ 3.73Å; V70-F161 HydrophobicContact CG1-CE1 4.42Å; V70-F161 HydrophobicContact CG1-CZ 4.2Å
71F98.9Very high98.2Very high1 Ų149 Ų490%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-87.7120.6175.3-59.5-74.2000109.2F24 V26 A29 A32 A33 Y36 S59 H60 V62 Y69F24-F71 HydrophobicContact CB-CD1 3.69Å; F24-F71 HydrophobicContact CB-CE1 4Å; F24-F71 HydrophobicContact CD1-CE1 4.26Å; F24-F71 HydrophobicContact CD2-CD1 4.19Å; F24-F71 AromaticContact CD2-CE1 3.76Å; F24-F71 HydrophobicContact CD2-CE1 3.76Å; F24-F71 HydrophobicContact CD2-CZ 4.39Å; F24-F71 HydrophobicContact CE2-CE1 4.27Å; F24-F71 AromaticContact CG-CD1 4Å; F24-F71 HydrophobicContact CG-CD1 4Å; F24-F71 AromaticContact CG-CE1 3.76Å; F24-F71 HydrophobicContact CG-CE1 3.76Å; V26-F71 HydrophobicContact CG1-CD1 4.14Å; V26-F71 HydrophobicContact CG2-CB 4.12Å; A29-F71 HydrophobicContact CB-CB 4.11Å; A29-F71 WeakPolarHBondContact CB-O 3.09Å; A32-F71 HydrophobicContact CB-CB 4.19Å; A32-F71 HydrophobicContact CB-CD1 3.67Å; A32-F71 HydrophobicContact CB-CE1 4.24Å; A32-F71 HydrophobicContact CB-CG 3.86Å; A33-F71 HydrophobicContact CB-CD2 3.92Å; Y36-F71 AromaticContact CD1-CZ 3.78Å; Y36-F71 HydrophobicContact CD1-CZ 3.78Å; Y36-F71 AromaticContact CD2-CE1 3.7Å; Y36-F71 HydrophobicContact CD2-CE1 3.7Å; Y36-F71 AromaticContact CD2-CE2 3.89Å; Y36-F71 HydrophobicContact CD2-CE2 3.89Å; Y36-F71 AromaticContact CD2-CZ 3.2Å; Y36-F71 HydrophobicContact CD2-CZ 3.2Å; Y36-F71 HydrophobicContact CE1-CE1 4.4Å; Y36-F71 AromaticContact CE1-CZ 3.94Å; Y36-F71 HydrophobicContact CE1-CZ 3.94Å; Y36-F71 AromaticContact CE2-CE1 3.41Å; Y36-F71 HydrophobicContact CE2-CE1 3.41Å; Y36-F71 VanDerWaalsContact CE2-CE1 3.41Å; Y36-F71 HydrophobicContact CE2-CE2 4.44Å; Y36-F71 AromaticContact CE2-CZ 3.38Å; Y36-F71 HydrophobicContact CE2-CZ 3.38Å; Y36-F71 HydrophobicContact CG-CE1 4.31Å; Y36-F71 AromaticContact CG-CE2 3.96Å; Y36-F71 HydrophobicContact CG-CE2 3.96Å; Y36-F71 AromaticContact CG-CZ 3.41Å; Y36-F71 HydrophobicContact CG-CZ 3.41Å; Y36-F71 VanDerWaalsContact CG-CZ 3.41Å; Y36-F71 AromaticContact CZ-CE1 3.79Å; Y36-F71 AromaticContact CZ-CZ 3.74Å; S59-F71 CarbonylContact C-O 3.47Å; S59-F71 VanDerWaalsContact CA-O 3.27Å; S59-F71 WeakPolarHBondContact CA-O 3.42Å; H60-F71 PolarHBondContact N-O 2.97Å; H60-F71 PolarHBondContact O-N 2.84Å; V62-F71 HydrophobicContact CG2-CD2 4.33Å; V62-F71 HydrophobicContact CG2-CE2 3.67Å; Y69-F71 HydrophobicContact CD2-CZ 4.23Å; Y69-F71 HydrophobicContact CG-CZ 4.47Å
72S98.9Very high98.2Very high4 Ų449.7 Ų49.73%0.02829%0.287CS..EExtended strand (participates in β ladder)trans-123.4141.1-178.7-58.80000112.6F24 W25 V26 V58 S59F24-S72 PolarHBondContact O-N 3.44Å; W25-S72 WeakPolarHBondContact CA-O 3.21Å; V26-S72 PolarHBondContact N-O 3.48Å; V58-S72 CarbonylContact O-C 3.59Å; V58-S72 WeakPolarHBondContact O-CA 3.31Å; S59-S72 PolarHBondContact OG-OG 2.84Å
73S98.9Very high98.1Very high8 Ų850.9 Ų50.96%0.05630%0.299CS..EExtended strand (participates in β ladder)trans-136.2148.3176-59.20000110.5V26 A29 V57 V58V26-S73 WeakPolarHBondContact O-CB 3.31Å; V26-S73 PolarHBondContact O-OG 3.23Å; A29-S73 WeakPolarHBondContact CB-OG 3.46Å; A29-S73 PolarHBondContact N-OG 3.38Å; V57-S73 WeakPolarHBondContact CA-O 3.4Å; V58-S73 PolarHBondContact N-O 3.23Å; V58-S73 PolarHBondContact O-N 2.87Å
74A98.7Very high98.1Very high39 Ų3950.8 Ų50.832%0.32230%0.303SS..EExtended strand (participates in β ladder)trans-64.9136.4168.800000110.3S79 M82A74-S79 VanDerWaalsContact CB-CB 3.47Å; A74-M82 HydrophobicContact CB-CB 4.2Å; A74-M82 HydrophobicContact CB-SD 4.12Å
75L98.5Very high98.1Very high54 Ų5450.6 Ų50.628%0.28330%0.302SS..  trans-88.4-31.1175.6-77.4167.1000112.4L50 S54 D56 V58L50-L75 HydrophobicContact CD1-CD2 4.32Å; L50-L75 HydrophobicContact CD2-CD1 3.81Å; L50-L75 HydrophobicContact CG-CD1 3.88Å; L50-L75 HydrophobicContact CG-CD2 4.15Å; S54-L75 WeakPolarHBondContact O-CD1 3.43Å; D56-L75 PolarHBondContact O-N 2.84Å; V58-L75 HydrophobicContact CB-CD1 4.21Å; V58-L75 HydrophobicContact CB-CD2 3.92Å; V58-L75 HydrophobicContact CB-CG 4.01Å; V58-L75 HydrophobicContact CG1-CD2 3.98Å; V58-L75 HydrophobicContact CG1-CG 4.2Å
76N98Very high98.2Very high76 Ų7651.5 Ų51.541%0.40630%0.297SS..SBendtrans-101141.2-173.3-63.3-47.3000111.5R55 D56R55-N76 PolarHBondContact O-ND2 3.43Å; D56-N76 PolarHBondContact OD1-ND2 3.46Å
77P97.7Very high98.2Very high132 Ų13250 Ų5086%0.85730%0.299SS*.THydrogen-bonded Turntrans-56.2146.6167.6-22.633.2000111.7S79P77-S79 VanDerWaalsContact C-N 3.31Å; P77-S79 PolarHBondContact O-N 3Å
78G93.8Very high98.2Very high77 Ų7754.2 Ų54.279%0.79432%0.318SS*.THydrogen-bonded Turntrans75.213.4175.200000115.3K80G78-K80 PolarHBondContact O-N 3Å
79S96.9Very high98.1Very high41 Ų4153.2 Ų53.229%0.28731%0.313SS..  trans-6197169.5170.80000110.4A74 P77 G83A74-S79 VanDerWaalsContact CB-CB 3.47Å; P77-S79 VanDerWaalsContact C-N 3.31Å; P77-S79 PolarHBondContact O-N 3Å; S79-G83 WeakPolarHBondContact O-CA 3.26Å; S79-G83 PolarHBondContact O-N 2.86Å
80K97.4Very high98.1Very high151 Ų15153.6 Ų53.666%0.65732%0.317SS*.Hα-helixtrans-60.1-52.7-170.9-169.3-178.1-171.8-50.80112.9G78 G83 D84G78-K80 PolarHBondContact O-N 3Å; K80-G83 PolarHBondContact O-N 3.08Å; K80-D84 WeakPolarHBondContact CG-OD2 3.28Å; K80-D84 IonicContact NZ-OD2 3.96Å; K80-D84 PolarHBondContact NZ-OD2 3.44Å; K80-D84 VanDerWaalsContact O-CB 3.23Å; K80-D84 WeakPolarHBondContact O-CB 3.45Å; K80-D84 PolarHBondContact O-N 2.8Å
81E97.4Very high98.1Very high129 Ų12956.1 Ų56.160%0.60333%0.33SS*.Hα-helixtrans-65-54.8-173.1-168.3-173.517400112.6W25 G83 H85W25-E81 HydrophobicContact CH2-CG 3.8Å; W25-E81 HydrophobicContact CZ3-CG 3.99Å; E81-G83 VanDerWaalsContact C-N 3.32Å; E81-G83 PolarHBondContact O-N 2.92Å; E81-H85 WeakPolarHBondContact O-CB 3.36Å; E81-H85 PolarHBondContact O-N 2.67Å; E81-H85 VanDerWaalsContact O-N 3.09Å
82M98.5Very high98.1Very high17 Ų1756 Ų568%0.08433%0.33CS..Hα-helixtrans-67-33.1177.7-63-17175.100112.5W25 V57 A74 L86W25-M82 HydrophobicContact CB-CE 4.34Å; W25-M82 HydrophobicContact CD2-CE 3.87Å; W25-M82 HydrophobicContact CD2-CG 3.94Å; W25-M82 HydrophobicContact CE3-CB 4.19Å; W25-M82 HydrophobicContact CE3-CG 3.88Å; W25-M82 HydrophobicContact CG-CE 3.72Å; W25-M82 HydrophobicContact CH2-CG 3.85Å; W25-M82 HydrophobicContact CZ2-CG 3.9Å; W25-M82 HydrophobicContact CZ3-CB 4.3Å; W25-M82 HydrophobicContact CZ3-CG 3.85Å; V57-M82 HydrophobicContact CG1-CE 4.4Å; V57-M82 HydrophobicContact CG1-SD 4.18Å; V57-M82 HydrophobicContact CG2-SD 3.76Å; A74-M82 HydrophobicContact CB-CB 4.2Å; A74-M82 HydrophobicContact CB-SD 4.12Å; M82-L86 VanDerWaalsContact O-CB 3.26Å; M82-L86 WeakPolarHBondContact O-CB 3.24Å; M82-L86 PolarHBondContact O-N 2.86Å
83G98.4Very high98.1Very high26 Ų2655.9 Ų55.927%0.26833%0.329SS..Hα-helixtrans-68.3-47.5177.900000112.2S79 K80 E81 H85 L86 V87S79-G83 WeakPolarHBondContact O-CA 3.26Å; S79-G83 PolarHBondContact O-N 2.86Å; K80-G83 PolarHBondContact O-N 3.08Å; E81-G83 VanDerWaalsContact C-N 3.32Å; E81-G83 PolarHBondContact O-N 2.92Å; G83-H85 VanDerWaalsContact C-N 3.34Å; G83-H85 PolarHBondContact O-N 3.03Å; G83-L86 PolarHBondContact O-N 3.04Å; G83-V87 WeakPolarHBondContact O-CG2 3.36Å; G83-V87 PolarHBondContact O-N 2.85Å
84D98.5Very high98.1Very high85 Ų8556.3 Ų56.346%0.45533%0.33SS..Hα-helixtrans-62.1-43.4177.1-69.3-10000110.7K80 V87 K88K80-D84 WeakPolarHBondContact CG-OD2 3.28Å; K80-D84 IonicContact NZ-OD2 3.96Å; K80-D84 PolarHBondContact NZ-OD2 3.44Å; K80-D84 VanDerWaalsContact O-CB 3.23Å; K80-D84 WeakPolarHBondContact O-CB 3.45Å; K80-D84 PolarHBondContact O-N 2.8Å; D84-V87 PolarHBondContact O-N 2.83Å; D84-K88 VanDerWaalsContact O-CB 3.25Å; D84-K88 WeakPolarHBondContact O-CB 3.48Å; D84-K88 PolarHBondContact O-N 3.13Å
85H98.4Very high98.1Very high9 Ų954.8 Ų54.84%0.04232%0.316CS..Hα-helixtrans-59.6-47.1174-177.7-70.7000111.6W25 E81 G83 V87 K88 H89W25-H85 HydrophobicContact CE3-CB 3.63Å; W25-H85 AromaticContact CE3-CD2 3.87Å; W25-H85 AromaticContact CE3-CG 3.56Å; W25-H85 HydrophobicContact CZ3-CB 3.9Å; E81-H85 WeakPolarHBondContact O-CB 3.36Å; E81-H85 PolarHBondContact O-N 2.67Å; E81-H85 VanDerWaalsContact O-N 3.09Å; G83-H85 VanDerWaalsContact C-N 3.34Å; G83-H85 PolarHBondContact O-N 3.03Å; H85-V87 PolarHBondContact O-N 2.86Å; H85-K88 PolarHBondContact O-N 2.84Å; H85-H89 AromaticContact CD2-CD2 3.41Å; H85-H89 PolarHBondContact CD2-CD2 3Å; H85-H89 VanDerWaalsContact CD2-CD2 3.41Å; H85-H89 AromaticContact CD2-NE2 3.97Å; H85-H89 AromaticContact CE1-CD2 3.61Å; H85-H89 AromaticContact CG-CD2 3.56Å; H85-H89 AromaticContact ND1-CD2 3.68Å; H85-H89 AromaticContact NE2-CD2 3.48Å; H85-H89 PolarHBondContact NE2-CD2 3.08Å; H85-H89 WeakPolarHBondContact O-CB 3.26Å; H85-H89 PolarHBondContact O-CD2 3.41Å; H85-H89 VanDerWaalsContact O-CD2 3.26Å; H85-H89 PolarHBondContact O-N 2.81Å
86L98.5Very high98.1Very high60 Ų6052.2 Ų52.231%0.31430%0.302SS..Hα-helixtrans-63-42.9-179.5-178.764.9000112M82 G83 G90 D91M82-L86 VanDerWaalsContact O-CB 3.26Å; M82-L86 WeakPolarHBondContact O-CB 3.24Å; M82-L86 PolarHBondContact O-N 2.86Å; G83-L86 PolarHBondContact O-N 3.04Å; L86-G90 VanDerWaalsContact O-CA 3.28Å; L86-G90 WeakPolarHBondContact O-CA 3.36Å; L86-G90 PolarHBondContact O-N 2.96Å; L86-D91 WeakPolarHBondContact CD1-OD1 3.23Å
87V98.6Very high98.2Very high114 Ų11448.6 Ų48.669%0.69128%0.283SS*.Hα-helixtrans-63.1-46.7177.31700000110.5G83 D84 H85 R344G83-V87 WeakPolarHBondContact O-CG2 3.36Å; G83-V87 PolarHBondContact O-N 2.85Å; D84-V87 PolarHBondContact O-N 2.83Å; H85-V87 PolarHBondContact O-N 2.86Å; V87-R344 PolarHBondContact O-NH2 3.27Å; V87-R344 VanDerWaalsContact O-NH2 3.12Å
88K98.6Very high98.2Very high90 Ų9042.3 Ų42.339%0.39124%0.242SC..Hα-helixtrans-65-52.7-178.3-175176.8172.1-165.50111.8D84 H85 D142 G261 R344D84-K88 VanDerWaalsContact O-CB 3.25Å; D84-K88 WeakPolarHBondContact O-CB 3.48Å; D84-K88 PolarHBondContact O-N 3.13Å; H85-K88 PolarHBondContact O-N 2.84Å; K88-D142 IonicContact NZ-OD2 3.69Å; K88-D142 PolarHBondContact NZ-OD2 3.42Å; K88-G261 WeakPolarHBondContact CE-O 3.24Å; K88-R344 PolarHBondContact O-NH1 3.34Å
89H98.5Very high98.4Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-100.5-22.8-166.6-59.7-60.1000115H85 D142 Y260 R344H85-H89 AromaticContact CD2-CD2 3.41Å; H85-H89 PolarHBondContact CD2-CD2 3Å; H85-H89 VanDerWaalsContact CD2-CD2 3.41Å; H85-H89 AromaticContact CD2-NE2 3.97Å; H85-H89 AromaticContact CE1-CD2 3.61Å; H85-H89 AromaticContact CG-CD2 3.56Å; H85-H89 AromaticContact ND1-CD2 3.68Å; H85-H89 AromaticContact NE2-CD2 3.48Å; H85-H89 PolarHBondContact NE2-CD2 3.08Å; H85-H89 WeakPolarHBondContact O-CB 3.26Å; H85-H89 PolarHBondContact O-CD2 3.41Å; H85-H89 VanDerWaalsContact O-CD2 3.26Å; H85-H89 PolarHBondContact O-N 2.81Å; H89-D142 IonicContact CE1-OD2 2.68Å; H89-D142 IonicContact NE2-OD2 3.82Å; H89-D142 PolarHBondContact NE2-OD2 2.89Å; H89-Y260 WeakPolarHBondContact CA-O 3.47Å; H89-Y260 HydrophobicContact CB-CD2 4.02Å; H89-Y260 HydrophobicContact CB-CE1 4.32Å; H89-Y260 HydrophobicContact CB-CE2 3.63Å; H89-Y260 AromaticContact CE1-CD1 3.89Å; H89-Y260 AromaticContact CE1-CE1 3.61Å; H89-Y260 AromaticContact CG-CE1 3.78Å; H89-Y260 AromaticContact CG-CZ 3.68Å; H89-Y260 AromaticContact ND1-CD1 3.27Å; H89-Y260 VanDerWaalsContact ND1-CD1 3.27Å; H89-Y260 WeakPolarHBondContact ND1-CD1 3.45Å; H89-Y260 AromaticContact ND1-CE1 3.13Å; H89-Y260 WeakPolarHBondContact ND1-CE1 3.3Å; H89-Y260 AromaticContact ND1-CG 3.77Å; H89-Y260 AromaticContact ND1-CZ 3.53Å; H89-Y260 PolarHBondContact ND1-O 2.76Å; H89-R344 VanDerWaalsContact C-NH1 3.28Å; H89-R344 PolarHBondContact O-NH1 2.89Å
90G98.6Very high98.5Very high9 Ų938.2 Ų38.29%0.09320%0.2CC..SBendtrans74-154.2-158.600000111.1L86L86-G90 VanDerWaalsContact O-CA 3.28Å; L86-G90 WeakPolarHBondContact O-CA 3.36Å; L86-G90 PolarHBondContact O-N 2.96Å
91D98.8Very high98.4Very high56 Ų5635 Ų3530%0.29919%0.188SC..SBendtrans-74.7126.5174.4-74.89.4000108.7V26 G27 L86 Q342V26-D91 VanDerWaalsContact CA-OD1 3.24Å; V26-D91 WeakPolarHBondContact CA-OD1 3.37Å; V26-D91 HydrophobicContact CB-CB 4.14Å; V26-D91 VanDerWaalsContact CB-CG 3.47Å; V26-D91 WeakPolarHBondContact CB-OD2 3.41Å; V26-D91 HydrophobicContact CG1-CB 3.75Å; G27-D91 PolarHBondContact N-OD1 2.93Å; L86-D91 WeakPolarHBondContact CD1-OD1 3.23Å; D91-Q342 VanDerWaalsContact O-CD 3.24Å; D91-Q342 PolarHBondContact O-NE2 3.49Å; D91-Q342 PolarHBondContact O-OE1 3.45Å; D91-Q342 VanDerWaalsContact O-OE1 3.13Å
92G98.4Very high98.3Very high0 Ų030.3 Ų30.30%017%0.166CC..EExtended strand (participates in β ladder)trans-159.6164.3-171.200000114F24 W25 K94F24-G92 CarbonylContact C-O 3.53Å; F24-G92 WeakPolarHBondContact CA-O 3.38Å; W25-G92 PolarHBondContact N-O 3.24Å; W25-G92 PolarHBondContact O-N 2.83Å; W25-G92 VanDerWaalsContact O-N 3.08Å; G92-K94 PolarHBondContact O-N 2.83Å
93V98.8Very high98.1Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-72.6121.8173.5-176.40000108.5L22 F24 V96 Y260 V265 I268L22-V93 HydrophobicContact CD2-CG1 4.34Å; L22-V93 HydrophobicContact CG-CG1 4.46Å; F24-V93 HydrophobicContact CD1-CG2 3.87Å; F24-V93 HydrophobicContact CE1-CG2 3.42Å; F24-V93 VanDerWaalsContact CE1-CG2 3.42Å; F24-V93 HydrophobicContact CE2-CG2 4.34Å; F24-V93 HydrophobicContact CZ-CG2 3.7Å; V93-V96 HydrophobicContact CG1-CG2 4.01Å; V93-Y260 PolarHBondContact O-OH 3.48Å; V93-V265 HydrophobicContact CB-CB 3.82Å; V93-V265 HydrophobicContact CB-CG1 4.35Å; V93-V265 HydrophobicContact CB-CG2 3.88Å; V93-V265 HydrophobicContact CG1-CB 4.35Å; V93-V265 HydrophobicContact CG1-CG2 3.9Å; V93-V265 HydrophobicContact CG2-CB 3.91Å; V93-V265 HydrophobicContact CG2-CG1 3.91Å; V93-V265 HydrophobicContact CG2-CG2 4.36Å; V93-I268 HydrophobicContact CG2-CD1 3.99Å
94K98.8Very high97.9Very high18 Ų1830.2 Ų30.28%0.07816%0.16CC..EExtended strand (participates in β ladder)trans-92.8-38.7173.1174.663-176.9173.70111.8T23 W25 G92 D142 T143 T144T23-K94 PolarHBondContact O-N 3.19Å; W25-K94 HydrophobicContact CB-CB 4.22Å; W25-K94 HydrophobicContact CD2-CB 3.93Å; W25-K94 HydrophobicContact CD2-CD 4.08Å; W25-K94 HydrophobicContact CD2-CG 3.7Å; W25-K94 HydrophobicContact CE3-CD 3.96Å; W25-K94 HydrophobicContact CE3-CG 4.12Å; W25-K94 HydrophobicContact CG-CB 3.74Å; W25-K94 HydrophobicContact CG-CG 4.05Å; W25-K94 HydrophobicContact CH2-CD 4.18Å; W25-K94 HydrophobicContact CH2-CG 4.35Å; W25-K94 HydrophobicContact CZ2-CD 4.3Å; W25-K94 HydrophobicContact CZ2-CG 3.96Å; W25-K94 HydrophobicContact CZ3-CD 4.01Å; W25-K94 HydrophobicContact CZ3-CG 4.43Å; G92-K94 PolarHBondContact O-N 2.83Å; K94-D142 WeakPolarHBondContact CD-O 3.39Å; K94-D142 WeakPolarHBondContact CE-O 3.45Å; K94-D142 PolarHBondContact NZ-O 3.45Å; K94-T143 WeakPolarHBondContact O-CA 3.24Å; K94-T144 PolarHBondContact O-N 3.12Å; K94-T144 PolarHBondContact O-OG1 2.95Å
95D98.9Very high97.6Very high6 Ų627.3 Ų27.33%0.03214%0.144CC..EExtended strand (participates in β ladder)trans-138.7137-173.7-174-90.8000111.9L22 T23 A97 T144 T146L22-D95 WeakPolarHBondContact CA-O 3.25Å; T23-D95 PolarHBondContact N-O 2.9Å; T23-D95 PolarHBondContact O-N 3.41Å; T23-D95 VanDerWaalsContact O-N 3.15Å; D95-A97 PolarHBondContact OD1-N 3.45Å; D95-T144 WeakPolarHBondContact CA-O 3.41Å; D95-T144 WeakPolarHBondContact CB-OG1 3.22Å; D95-T144 VanDerWaalsContact OD2-C 3.28Å; D95-T144 WeakPolarHBondContact OD2-CB 3.49Å; D95-T144 PolarHBondContact OD2-OG1 2.64Å; D95-T146 WeakPolarHBondContact OD1-CB 3.36Å; D95-T146 PolarHBondContact OD1-N 3.09Å; D95-T146 PolarHBondContact OD1-OG1 2.64Å; D95-T146 PolarHBondContact OD2-N 3.32Å; D95-T146 PolarHBondContact OD2-OG1 3.36Å
96V98.9Very high97.3Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-112104.2169-178.90000107.9F19 L22 V93 F98 T143 T144 H145 V185 M239 V265F19-V96 HydrophobicContact CD1-CG1 3.85Å; F19-V96 HydrophobicContact CE1-CG1 3.86Å; L22-V96 HydrophobicContact CD1-CG1 4.17Å; L22-V96 HydrophobicContact CD2-CG2 4.46Å; L22-V96 HydrophobicContact CG-CG1 4.4Å; L22-V96 HydrophobicContact CG-CG2 4.22Å; V93-V96 HydrophobicContact CG1-CG2 4.01Å; V96-F98 HydrophobicContact CG1-CE1 3.92Å; V96-F98 HydrophobicContact CG1-CZ 4.15Å; V96-T143 HydrophobicContact CG2-CG2 4.48Å; V96-T144 PolarHBondContact N-O 2.74Å; V96-H145 WeakPolarHBondContact O-CA 3.4Å; V96-H145 PolarHBondContact O-ND1 3.24Å; V96-V185 HydrophobicContact CG1-CG2 4.43Å; V96-V185 HydrophobicContact CG2-CG1 4.11Å; V96-M239 HydrophobicContact CG1-SD 4.49Å; V96-V265 HydrophobicContact CG2-CG2 4.04Å
97A98.9Very high96.8Very high0 Ų024.2 Ų24.20%013%0.128CC..EExtended strand (participates in β ladder)trans-88.9145.2-175.100000112.2D20 H21 D95 T146 V148D20-A97 HydrophobicContact CB-CB 4.12Å; D20-A97 PolarHBondContact N-O 3.48Å; H21-A97 VanDerWaalsContact CE1-CB 3.45Å; H21-A97 WeakPolarHBondContact CE1-CB 3.48Å; H21-A97 VanDerWaalsContact O-CB 3.27Å; H21-A97 WeakPolarHBondContact O-CB 3.38Å; H21-A97 PolarHBondContact O-N 3.23Å; D95-A97 PolarHBondContact OD1-N 3.45Å; A97-T146 CarbonylContact C-O 3.59Å; A97-T146 WeakPolarHBondContact CA-O 3.33Å; A97-T146 WeakPolarHBondContact CB-O 3.3Å; A97-V148 HydrophobicContact CB-CG2 4.14Å
98F98.7Very high96Very high0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-118.3133177.7-55.7-54.8000111F16 C18 F19 V96 V100 H145 T146 F147 V148 V237F16-F98 HydrophobicContact CD1-CB 3.97Å; F16-F98 HydrophobicContact CD1-CD2 4.07Å; F16-F98 HydrophobicContact CD1-CG 4.14Å; F16-F98 HydrophobicContact CE1-CB 4.45Å; F16-F98 AromaticContact CE1-CD2 3.98Å; F16-F98 HydrophobicContact CE1-CD2 3.98Å; F16-F98 HydrophobicContact CE1-CG 4.48Å; C18-F98 WeakPolarHBondContact O-CA 3.37Å; F19-F98 HydrophobicContact CD1-CD1 4.05Å; F19-F98 AromaticContact CD1-CE1 3.73Å; F19-F98 HydrophobicContact CD1-CE1 3.73Å; F19-F98 HydrophobicContact CE1-CD1 4.43Å; F19-F98 AromaticContact CE1-CE1 3.69Å; F19-F98 HydrophobicContact CE1-CE1 3.69Å; V96-F98 HydrophobicContact CG1-CE1 3.92Å; V96-F98 HydrophobicContact CG1-CZ 4.15Å; F98-V100 HydrophobicContact CB-CG1 4.09Å; F98-V100 PolarHBondContact O-N 3.34Å; F98-H145 HydrophobicContact CD2-CB 4.35Å; F98-H145 HydrophobicContact CE2-CB 4.02Å; F98-H145 AromaticContact CE2-CD2 3.96Å; F98-H145 AromaticContact CE2-CE1 3.62Å; F98-H145 AromaticContact CE2-CG 3.51Å; F98-H145 AromaticContact CE2-ND1 3.28Å; F98-H145 VanDerWaalsContact CE2-ND1 3.28Å; F98-H145 WeakPolarHBondContact CE2-ND1 3.23Å; F98-H145 AromaticContact CZ-CE1 3.48Å; F98-H145 VanDerWaalsContact CZ-CE1 3.48Å; F98-H145 WeakPolarHBondContact CZ-CE1 3.36Å; F98-H145 AromaticContact CZ-ND1 3.49Å; F98-H145 WeakPolarHBondContact CZ-ND1 3.28Å; F98-T146 PolarHBondContact N-O 2.98Å; F98-F147 HydrophobicContact CD2-CD1 4.18Å; F98-F147 AromaticContact CD2-CE1 3.99Å; F98-F147 HydrophobicContact CD2-CE1 3.99Å; F98-V148 PolarHBondContact O-N 2.79Å; F98-V237 HydrophobicContact CD1-CG1 4.02Å; F98-V237 HydrophobicContact CD1-CG2 4.22Å; F98-V237 HydrophobicContact CE1-CG1 3.49Å; F98-V237 VanDerWaalsContact CE1-CG1 3.49Å; F98-V237 HydrophobicContact CZ-CG1 4.15Å
99T98.5Very high94.5Very high29 Ų2924.2 Ų24.218%0.17812%0.121CC..EExtended strand (participates in β ladder)trans-73.4124.7166.3-55.10000107.2I17 C18 D20 V148I17-T99 HydrophobicContact CB-CG2 4.2Å; I17-T99 WeakPolarHBondContact CB-O 3.47Å; I17-T99 HydrophobicContact CG1-CG2 4.22Å; I17-T99 PolarHBondContact N-O 2.91Å; C18-T99 PolarHBondContact O-N 3.49Å; D20-T99 WeakPolarHBondContact CB-OG1 3.48Å; D20-T99 PolarHBondContact OD2-OG1 3.41Å; T99-V148 WeakPolarHBondContact CA-O 3.47Å
100V97.8Very high93Very high3 Ų325.1 Ų25.12%0.01813%0.125CC..EExtended strand (participates in β ladder)trans-128.1159.8-178.4-54.80000111.8R15 F16 F98 C103 L106 F147 V148 E149R15-V100 CarbonylContact O-C 3.6Å; R15-V100 WeakPolarHBondContact O-CA 3.24Å; R15-V100 WeakPolarHBondContact O-CB 3.38Å; F16-V100 HydrophobicContact CD1-CG1 3.72Å; F16-V100 HydrophobicContact CE1-CG1 3.97Å; F16-V100 HydrophobicContact CG-CG1 4.36Å; F98-V100 HydrophobicContact CB-CG1 4.09Å; F98-V100 PolarHBondContact O-N 3.34Å; V100-C103 HydrophobicContact CG2-CB 3.99Å; V100-L106 HydrophobicContact CB-CD1 3.65Å; V100-L106 HydrophobicContact CG1-CD1 3.85Å; V100-L106 HydrophobicContact CG2-CD1 4.07Å; V100-F147 HydrophobicContact CG1-CB 4.25Å; V100-F147 HydrophobicContact CG1-CD1 4.44Å; V100-F147 HydrophobicContact CG1-CG 4.23Å; V100-F147 HydrophobicContact CG2-CB 3.91Å; V100-V148 PolarHBondContact N-O 2.96Å; V100-E149 HydrophobicContact CG2-CB 4.15Å; V100-E149 WeakPolarHBondContact O-CA 3.35Å; V100-E149 WeakPolarHBondContact O-CB 3.48Å
101E95.9Very high91.6Very high84 Ų8424.7 Ų24.739%0.39312%0.121SC..EExtended strand (participates in β ladder)trans-109139.7159.5-68.6-177.5178.900109.6G14 R15 I17G14-E101 CarbonylContact C-O 3.57Å; G14-E101 WeakPolarHBondContact CA-O 3.36Å; R15-E101 HydrophobicContact CG-CB 3.8Å; R15-E101 HydrophobicContact CG-CG 4.14Å; R15-E101 IonicContact CZ-OE1 2.78Å; R15-E101 IonicContact CZ-OE2 3.93Å; R15-E101 VanDerWaalsContact CZ-OE2 3.31Å; R15-E101 PolarHBondContact N-O 3.49Å; R15-E101 IonicContact NE-OE1 3.66Å; R15-E101 PolarHBondContact NE-OE1 3.46Å; R15-E101 IonicContact NE-OE2 3.69Å; R15-E101 PolarHBondContact NE-OE2 3.42Å; R15-E101 IonicContact NH2-OE1 2.63Å; R15-E101 PolarHBondContact NH2-OE1 2.87Å; R15-E101 IonicContact NH2-OE2 2.87Å; R15-E101 PolarHBondContact NH2-OE2 3.48Å; R15-E101 PolarHBondContact O-N 3.06Å; I17-E101 HydrophobicContact CD1-CG 4.14Å; I17-E101 HydrophobicContact CG1-CG 4.46Å
102D94.8Very high90.3Very high30 Ų3025.3 Ų25.316%0.1613%0.13CC..  trans60.865.2-176.5-146.1-36.3000113.7Q13 D104 F105 L106 E149Q13-D102 HydrophobicContact CG-CB 4.48Å; Q13-D102 WeakPolarHBondContact CG-OD2 3.44Å; Q13-D102 PolarHBondContact NE2-OD2 3.35Å; D102-D104 PolarHBondContact O-N 2.67Å; D102-F105 HydrophobicContact CB-CB 4.07Å; D102-F105 VanDerWaalsContact CG-CB 3.49Å; D102-F105 PolarHBondContact O-N 3.36Å; D102-F105 VanDerWaalsContact OD1-CB 3.23Å; D102-F105 WeakPolarHBondContact OD1-CB 3.48Å; D102-F105 PolarHBondContact OD1-N 2.69Å; D102-F105 VanDerWaalsContact OD1-N 3.08Å; D102-L106 WeakPolarHBondContact O-CG 3.27Å; D102-L106 PolarHBondContact O-N 3.35Å; D102-L106 VanDerWaalsContact O-N 3.12Å; D102-E149 WeakPolarHBondContact CA-OE1 3.49Å; D102-E149 PolarHBondContact N-OE1 3.33Å
103C95.3Very high89.2Confident0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-59.9-37.8-179.8-178.10000111.8V100 V107 R133 E149V100-C103 HydrophobicContact CG2-CB 3.99Å; C103-V107 VanDerWaalsContact O-CG2 3.22Å; C103-V107 WeakPolarHBondContact O-CG2 3.45Å; C103-V107 PolarHBondContact O-N 3.13Å; C103-V107 VanDerWaalsContact O-N 3.15Å; C103-R133 HydrophobicContact CB-CB 4.41Å; C103-R133 HydrophobicContact CB-CG 3.98Å; C103-E149 HydrophobicContact CB-CB 3.95Å; C103-E149 WeakPolarHBondContact CB-OE2 3.45Å; C103-E149 PolarHBondContact N-OE2 3.39Å
104D93.4Very high88.4Confident42 Ų4235.2 Ų35.223%0.22517%0.173CC..Hα-helixtrans-64.9-46.2-179.8-71.4-63.7000111D102 V107 Q108 P122 R133D102-D104 PolarHBondContact O-N 2.67Å; D104-V107 PolarHBondContact O-N 2.86Å; D104-Q108 VanDerWaalsContact O-CB 3.31Å; D104-Q108 WeakPolarHBondContact O-CB 3.39Å; D104-Q108 WeakPolarHBondContact O-CG 3.39Å; D104-Q108 PolarHBondContact O-N 2.93Å; D104-P122 WeakPolarHBondContact OD1-CB 3.24Å; D104-R133 IonicContact OD1-CZ 3.37Å; D104-R133 IonicContact OD1-NE 3.53Å; D104-R133 PolarHBondContact OD1-NE 3.41Å; D104-R133 VanDerWaalsContact OD1-NE 3.12Å; D104-R133 IonicContact OD1-NH2 3.65Å; D104-R133 PolarHBondContact OD1-NH2 2.86Å; D104-R133 IonicContact OD2-CZ 2.64Å; D104-R133 IonicContact OD2-NE 2.82Å; D104-R133 PolarHBondContact OD2-NE 2.99Å; D104-R133 IonicContact OD2-NH2 2.81Å
105F91.8Very high87.7Confident24 Ų2436.7 Ų36.711%0.10519%0.194CC..Hα-helixtrans-59.8-49.8175.6178.8-90.3000112.1Q13 D102 V107 Q108 Q109 K110Q13-F105 HydrophobicContact CB-CD1 4.14Å; Q13-F105 HydrophobicContact CB-CD2 4Å; Q13-F105 HydrophobicContact CB-CE1 4.14Å; Q13-F105 HydrophobicContact CB-CE2 3.99Å; Q13-F105 HydrophobicContact CB-CG 4.08Å; Q13-F105 HydrophobicContact CB-CZ 4.05Å; Q13-F105 HydrophobicContact CG-CD2 4.31Å; Q13-F105 HydrophobicContact CG-CG 4.22Å; Q13-F105 WeakPolarHBondContact O-CD1 3.23Å; Q13-F105 WeakPolarHBondContact O-CE1 3.44Å; D102-F105 HydrophobicContact CB-CB 4.07Å; D102-F105 VanDerWaalsContact CG-CB 3.49Å; D102-F105 PolarHBondContact O-N 3.36Å; D102-F105 VanDerWaalsContact OD1-CB 3.23Å; D102-F105 WeakPolarHBondContact OD1-CB 3.48Å; D102-F105 PolarHBondContact OD1-N 2.69Å; D102-F105 VanDerWaalsContact OD1-N 3.08Å; F105-V107 PolarHBondContact O-N 2.92Å; F105-Q108 PolarHBondContact O-N 2.89Å; F105-Q109 HydrophobicContact CD2-CB 4.15Å; F105-Q109 HydrophobicContact CD2-CG 3.9Å; F105-Q109 HydrophobicContact CE2-CB 3.98Å; F105-Q109 HydrophobicContact CE2-CG 3.87Å; F105-Q109 HydrophobicContact CZ-CB 4.27Å; F105-Q109 WeakPolarHBondContact O-CB 3.41Å; F105-Q109 PolarHBondContact O-N 3.29Å; F105-K110 HydrophobicContact CE1-CG 4.29Å
106L92.3Very high87.3Confident3 Ų336.9 Ų36.92%0.01620%0.196CC..Iπ-helixtrans-58.9-33.8-177.8-69.7174.2000112.3F16 V100 D102 A111 F147F16-L106 HydrophobicContact CE2-CD1 4.19Å; F16-L106 HydrophobicContact CE2-CD2 3.88Å; F16-L106 HydrophobicContact CZ-CD1 4.21Å; F16-L106 HydrophobicContact CZ-CD2 4.4Å; V100-L106 HydrophobicContact CB-CD1 3.65Å; V100-L106 HydrophobicContact CG1-CD1 3.85Å; V100-L106 HydrophobicContact CG2-CD1 4.07Å; D102-L106 WeakPolarHBondContact O-CG 3.27Å; D102-L106 PolarHBondContact O-N 3.35Å; D102-L106 VanDerWaalsContact O-N 3.12Å; L106-A111 PolarHBondContact O-N 3.47Å; L106-F147 HydrophobicContact CB-CD2 4.23Å; L106-F147 HydrophobicContact CB-CE2 4.04Å
107V89.3Confident87.1Confident0 Ų042 Ų420%022%0.222CC..Iπ-helixtrans-83.8-52.8179.9177.50000112.2C103 D104 F105 A111 S112 I118 P122 A135 L137 F147C103-V107 VanDerWaalsContact O-CG2 3.22Å; C103-V107 WeakPolarHBondContact O-CG2 3.45Å; C103-V107 PolarHBondContact O-N 3.13Å; C103-V107 VanDerWaalsContact O-N 3.15Å; D104-V107 PolarHBondContact O-N 2.86Å; F105-V107 PolarHBondContact O-N 2.92Å; V107-A111 WeakPolarHBondContact O-CB 3.27Å; V107-A111 PolarHBondContact O-N 2.76Å; V107-S112 PolarHBondContact O-N 3.49Å; V107-I118 HydrophobicContact CG1-CD1 3.85Å; V107-I118 HydrophobicContact CG1-CG1 4.29Å; V107-I118 HydrophobicContact CG1-CG2 4.44Å; V107-P122 HydrophobicContact CB-CG 3.73Å; V107-P122 HydrophobicContact CG1-CG 3.69Å; V107-P122 HydrophobicContact CG2-CG 4.02Å; V107-A135 HydrophobicContact CG2-CB 3.48Å; V107-A135 VanDerWaalsContact CG2-CB 3.48Å; V107-L137 HydrophobicContact CG2-CD1 4.18Å; V107-F147 HydrophobicContact CG2-CD2 3.81Å; V107-F147 HydrophobicContact CG2-CE2 4.05Å
108Q80.7Confident86.9Confident114 Ų11443.6 Ų43.653%0.53323%0.23SC..Iπ-helixtrans-70.7-46-171-67.8177.34.800112.1D104 F105D104-Q108 VanDerWaalsContact O-CB 3.31Å; D104-Q108 WeakPolarHBondContact O-CB 3.39Å; D104-Q108 WeakPolarHBondContact O-CG 3.39Å; D104-Q108 PolarHBondContact O-N 2.93Å; F105-Q108 PolarHBondContact O-N 2.89Å
109Q67.6Low86.8Confident90 Ų9048 Ų4842%0.42125%0.253SS..Iπ-helixtrans-88.1-25-171.3-76.4-106.2-28.700114F105F105-Q109 HydrophobicContact CD2-CB 4.15Å; F105-Q109 HydrophobicContact CD2-CG 3.9Å; F105-Q109 HydrophobicContact CE2-CB 3.98Å; F105-Q109 HydrophobicContact CE2-CG 3.87Å; F105-Q109 HydrophobicContact CZ-CB 4.27Å; F105-Q109 WeakPolarHBondContact O-CB 3.41Å; F105-Q109 PolarHBondContact O-N 3.29Å
110K67.7Low86.7Confident19 Ų1951.5 Ų51.58%0.08327%0.266CS..Iπ-helixtrans-122.9-40.2-169.4-60.1-67178.6170.80113.1E9 F105 R114 N204 L206E9-K110 IonicContact OE1-NZ 3.17Å; E9-K110 PolarHBondContact OE1-NZ 3.37Å; F105-K110 HydrophobicContact CE1-CG 4.29Å; K110-R114 WeakPolarHBondContact O-CB 3.45Å; K110-R114 WeakPolarHBondContact O-CD 3.44Å; K110-R114 WeakPolarHBondContact O-CG 3.43Å; K110-N204 CarbonylContact C-O 3.59Å; K110-L206 HydrophobicContact CD-CD1 4.28Å
111A68.9Low86.6Confident0 Ų056.8 Ų56.80%029%0.29CS..Iπ-helixtrans-78.3-53.3178.200000112.2L106 V107 R114 G115 A116 I118 L137L106-A111 PolarHBondContact O-N 3.47Å; V107-A111 WeakPolarHBondContact O-CB 3.27Å; V107-A111 PolarHBondContact O-N 2.76Å; A111-R114 PolarHBondContact O-N 2.82Å; A111-G115 PolarHBondContact O-N 2.99Å; A111-A116 HydrophobicContact CB-CB 3.82Å; A111-A116 VanDerWaalsContact O-CB 3.25Å; A111-A116 WeakPolarHBondContact O-CB 3.45Å; A111-A116 PolarHBondContact O-N 2.99Å; A111-I118 HydrophobicContact CB-CD1 4Å; A111-L137 HydrophobicContact CB-CD2 3.5Å
112S71Confident86.6Confident69 Ų6953.6 Ų53.648%0.48328%0.277SS..Iπ-helixtrans-67.4-47.6-175.6-173.80000112.6V107 R114 G115V107-S112 PolarHBondContact O-N 3.49Å; S112-R114 PolarHBondContact O-N 2.81Å; S112-G115 PolarHBondContact O-N 2.9Å
113E75.4Confident86.6Confident141 Ų14154 Ų5466%0.65928%0.277SS*.THydrogen-bonded Turntrans-64.2-24.9-179.4-69-176.9-177.600113.1
114R81.6Confident86.7Confident68 Ų6857.1 Ų57.126%0.25730%0.297SS..THydrogen-bonded Turntrans-104.910.5-176.2-52.1-177.9171.8-179.7-6.1113.8E9 K110 A111 S112 R203 N204E9-R114 IonicContact OE1-NH2 3.75Å; E9-R114 IonicContact OE2-NH2 3.42Å; E9-R114 PolarHBondContact OE2-NH2 3.26Å; K110-R114 WeakPolarHBondContact O-CB 3.45Å; K110-R114 WeakPolarHBondContact O-CD 3.44Å; K110-R114 WeakPolarHBondContact O-CG 3.43Å; A111-R114 PolarHBondContact O-N 2.82Å; S112-R114 PolarHBondContact O-N 2.81Å; R114-R203 HydrophobicContact CB-CG 3.92Å; R114-R203 WeakPolarHBondContact CD-O 3.31Å; R114-R203 PolarHBondContact NH1-O 2.95Å; R114-R203 PolarHBondContact O-NE 2.84Å; R114-N204 PolarHBondContact O-OD1 3.07Å
115G83.6Confident86.9Confident49 Ų4957.7 Ų57.751%0.50530%0.299SS..THydrogen-bonded Turntrans87.621.916800000115.4A111 S112A111-G115 PolarHBondContact O-N 2.99Å; S112-G115 PolarHBondContact O-N 2.9Å
116A90.8Very high87.1Confident9 Ų962.4 Ų62.47%0.07432%0.322CS..  trans-71.3141.2165.300000110.3A111 I118 L137 W200 N204A111-A116 HydrophobicContact CB-CB 3.82Å; A111-A116 VanDerWaalsContact O-CB 3.25Å; A111-A116 WeakPolarHBondContact O-CB 3.45Å; A111-A116 PolarHBondContact O-N 2.99Å; A116-I118 PolarHBondContact O-N 2.92Å; A116-L137 HydrophobicContact CB-CD2 4.26Å; A116-W200 HydrophobicContact CB-CZ2 4.31Å; A116-N204 HydrophobicContact CB-CB 4.02Å
117I94.2Very high87.3Confident109 Ų10964.4 Ų64.456%0.55933%0.332SS*.  trans-83.4117.1175.9-61.8166.8000108.3I119 L137 Q138I117-I119 HydrophobicContact CG2-CD1 4.03Å; I117-L137 WeakPolarHBondContact O-CA 3.25Å; I117-Q138 HydrophobicContact CB-CB 4Å; I117-Q138 HydrophobicContact CG2-CB 4.21Å; I117-Q138 PolarHBondContact O-N 3.39Å
118I95.4Very high87.6Confident33 Ų3373.9 Ų73.917%0.16937%0.374CS..EExtended strand (participates in β ladder)trans-87.1111.2175.5-49.1-52.5000108.5V107 A111 A116 E121 L137V107-I118 HydrophobicContact CG1-CD1 3.85Å; V107-I118 HydrophobicContact CG1-CG1 4.29Å; V107-I118 HydrophobicContact CG1-CG2 4.44Å; A111-I118 HydrophobicContact CB-CD1 4Å; A116-I118 PolarHBondContact O-N 2.92Å; I118-E121 HydrophobicContact CG2-CG 4.44Å; I118-L137 HydrophobicContact CD1-CD1 4.34Å; I118-L137 HydrophobicContact CD1-CD2 4.14Å; I118-L137 HydrophobicContact CD1-CG 3.73Å
119I96.5Very high88.3Confident93 Ų9371.4 Ų71.448%0.47736%0.364SS..EExtended strand (participates in β ladder)trans-77.7-37.4176.9-61.2-60000110.4I117 V136 Q138 T144I117-I119 HydrophobicContact CG2-CD1 4.03Å; I119-V136 HydrophobicContact CB-CB 4.24Å; I119-V136 HydrophobicContact CB-CG1 4.02Å; I119-V136 HydrophobicContact CG2-CG1 4.3Å; I119-V136 PolarHBondContact N-O 2.73Å; I119-Q138 HydrophobicContact CD1-CB 4Å; I119-Q138 HydrophobicContact CG1-CB 3.93Å; I119-T144 HydrophobicContact CG1-CG2 4.4Å
120K96.2Very high89.7Confident102 Ų10268.3 Ų68.344%0.44336%0.357SS..EExtended strand (participates in β ladder)trans-142.4116.9175.9-164.3172.3-179.4-166.90110.2H123 A135 V136K120-H123 WeakPolarHBondContact CD-CE1 3.46Å; K120-H123 WeakPolarHBondContact CE-CE1 3.35Å; K120-H123 VanDerWaalsContact CE-NE2 3.28Å; K120-H123 WeakPolarHBondContact CE-NE2 3.41Å; K120-H123 PolarHBondContact NZ-CD2 3.03Å; K120-H123 PolarHBondContact NZ-CE1 3.12Å; K120-H123 PolarHBondContact NZ-NE2 2.78Å; K120-A135 WeakPolarHBondContact O-CA 3.42Å; K120-V136 HydrophobicContact CB-CB 3.89Å; K120-V136 HydrophobicContact CB-CG2 3.94Å; K120-V136 PolarHBondContact N-O 3.29Å; K120-V136 VanDerWaalsContact N-O 3.1Å; K120-V136 PolarHBondContact O-N 3.13Å
121E95.5Very high91.1Very high114 Ų11472.8 Ų72.853%0.53338%0.376SS..EExtended strand (participates in β ladder)trans-54.8154.6176.5-69.5-61.5159.800111.8I118 H123I118-E121 HydrophobicContact CG2-CG 4.44Å; E121-H123 PolarHBondContact O-N 2.87Å; E121-H123 PolarHBondContact O-ND1 2.96Å
122P96.1Very high92.4Very high17 Ų1772.9 Ų72.911%0.1138%0.376CS..EExtended strand (participates in β ladder)trans-49.4116.4174.7-3038.4000111.4D104 V107 R133 L134 A135D104-P122 WeakPolarHBondContact OD1-CB 3.24Å; V107-P122 HydrophobicContact CB-CG 3.73Å; V107-P122 HydrophobicContact CG1-CG 3.69Å; V107-P122 HydrophobicContact CG2-CG 4.02Å; P122-R133 VanDerWaalsContact C-NH1 3.28Å; P122-R133 VanDerWaalsContact C-NH2 3.27Å; P122-R133 PolarHBondContact O-NH1 2.82Å; P122-R133 PolarHBondContact O-NH2 3.02Å; P122-L134 CarbonylContact C-O 3.59Å; P122-L134 VanDerWaalsContact CA-O 3.24Å; P122-L134 WeakPolarHBondContact CA-O 3.42Å; P122-A135 HydrophobicContact CG-CB 4.07Å
123H96.3Very high93.7Very high37 Ų3772.4 Ų72.417%0.17136%0.364CS..EExtended strand (participates in β ladder)trans-135.2157.2-178.365.3-72.2000110.1K120 E121 L134K120-H123 WeakPolarHBondContact CD-CE1 3.46Å; K120-H123 WeakPolarHBondContact CE-CE1 3.35Å; K120-H123 VanDerWaalsContact CE-NE2 3.28Å; K120-H123 WeakPolarHBondContact CE-NE2 3.41Å; K120-H123 PolarHBondContact NZ-CD2 3.03Å; K120-H123 PolarHBondContact NZ-CE1 3.12Å; K120-H123 PolarHBondContact NZ-NE2 2.78Å; E121-H123 PolarHBondContact O-N 2.87Å; E121-H123 PolarHBondContact O-ND1 2.96Å; H123-L134 PolarHBondContact N-O 3.31Å; H123-L134 PolarHBondContact ND1-O 2.98Å; H123-L134 VanDerWaalsContact ND1-O 3.15Å; H123-L134 PolarHBondContact O-N 3.43Å
124T97.4Very high94.8Very high67 Ų6766.3 Ų66.341%0.41134%0.336SS..EExtended strand (participates in β ladder)trans-106.6129.7-176.9-57.40000109.6K131 I132 R133T124-K131 HydrophobicContact CG2-CB 3.95Å; T124-K131 HydrophobicContact CG2-CD 4.21Å; T124-K131 HydrophobicContact CG2-CG 4.07Å; T124-I132 WeakPolarHBondContact CA-O 3.44Å; T124-R133 WeakPolarHBondContact OG1-CD 3.24Å; T124-R133 PolarHBondContact OG1-NH1 3.15Å; T124-R133 VanDerWaalsContact OG1-NH1 3.13Å
125L96.3Very high95.6Very high53 Ų5363 Ų6328%0.27732%0.324SS..EExtended strand (participates in β ladder)trans-99138.4162.5-59.6-171.9000109K131 I132 L134 P159L125-K131 CarbonylContact O-C 3.57Å; L125-K131 WeakPolarHBondContact O-CA 3.35Å; L125-I132 PolarHBondContact N-O 2.85Å; L125-I132 PolarHBondContact O-N 3.15Å; L125-L134 HydrophobicContact CD1-CD1 3.41Å; L125-L134 VanDerWaalsContact CD1-CD1 3.41Å; L125-L134 HydrophobicContact CD1-CG 4.49Å; L125-L134 HydrophobicContact CG-CD1 3.83Å; L125-P159 HydrophobicContact CB-CB 3.93Å; L125-P159 HydrophobicContact CB-CG 3.76Å
126E96.4Very high96.3Very high124 Ų12461.8 Ų61.858%0.57931%0.306SS*.EExtended strand (participates in β ladder)trans-137.9138.3-176.3-177.6168.1-162.700110.8G130 K131E126-G130 WeakPolarHBondContact CA-O 3.28Å; E126-K131 HydrophobicContact CB-CG 4.08Å; E126-K131 HydrophobicContact CG-CG 3.85Å; E126-K131 WeakPolarHBondContact OE1-CE 3.3Å; E126-K131 IonicContact OE1-NZ 3.7Å; E126-K131 WeakPolarHBondContact OE2-CE 3.28Å; E126-K131 IonicContact OE2-NZ 3.75Å
127D95.6Very high96.6Very high44 Ų4461.3 Ų61.324%0.23530%0.302CS..EExtended strand (participates in β ladder)trans-143.1-173.1164.169.833000110N129 G130 Y153 P159D127-N129 PolarHBondContact O-N 2.81Å; D127-N129 WeakPolarHBondContact OD1-CA 3.19Å; D127-N129 VanDerWaalsContact OD1-CB 3.25Å; D127-N129 WeakPolarHBondContact OD1-CB 3.47Å; D127-N129 PolarHBondContact OD1-N 2.89Å; D127-N129 PolarHBondContact OD1-ND2 3.42Å; D127-G130 PolarHBondContact N-O 2.77Å; D127-G130 VanDerWaalsContact N-O 3.11Å; D127-G130 PolarHBondContact O-N 3.16Å; D127-Y153 VanDerWaalsContact OD1-CE2 3.31Å; D127-Y153 WeakPolarHBondContact OD1-CE2 3.46Å; D127-Y153 PolarHBondContact OD2-OH 2.64Å; D127-P159 HydrophobicContact CB-CB 4.11Å; D127-P159 VanDerWaalsContact OD2-CA 3.3Å; D127-P159 WeakPolarHBondContact OD2-CA 3.36Å
128K95.9Very high96.8Very high200 Ų20057.7 Ų57.787%0.8728%0.283SS*.THydrogen-bonded Turntrans-56.5-16.2179.566.6-179.7-178.6179.10115.4
129N96.6Very high96.9Very high61 Ų6156.7 Ų56.733%0.32628%0.279SS..THydrogen-bonded Turntrans-100.23.1-178.1-44.9-72.9000113.1D127 Y153 K154 G155D127-N129 PolarHBondContact O-N 2.81Å; D127-N129 WeakPolarHBondContact OD1-CA 3.19Å; D127-N129 VanDerWaalsContact OD1-CB 3.25Å; D127-N129 WeakPolarHBondContact OD1-CB 3.47Å; D127-N129 PolarHBondContact OD1-N 2.89Å; D127-N129 PolarHBondContact OD1-ND2 3.42Å; N129-Y153 HydrophobicContact CB-CD2 4.42Å; N129-Y153 HydrophobicContact CB-CE2 3.96Å; N129-K154 PolarHBondContact O-N 3.29Å; N129-G155 VanDerWaalsContact CB-N 3.35Å
130G96.3Very high96.9Very high26 Ų2652.4 Ų52.427%0.26826%0.256SS..EExtended strand (participates in β ladder)trans124.4-158.7174.100000113.6E126 D127E126-G130 WeakPolarHBondContact CA-O 3.28Å; D127-G130 PolarHBondContact N-O 2.77Å; D127-G130 VanDerWaalsContact N-O 3.11Å; D127-G130 PolarHBondContact O-N 3.16Å
131K96.6Very high96.9Very high113 Ų11349 Ų4949%0.49125%0.251SS..EExtended strand (participates in β ladder)trans-118.3146.3-175.7-67175.2175.6-178.30111.5T124 L125 E126T124-K131 HydrophobicContact CG2-CB 3.95Å; T124-K131 HydrophobicContact CG2-CD 4.21Å; T124-K131 HydrophobicContact CG2-CG 4.07Å; L125-K131 CarbonylContact O-C 3.57Å; L125-K131 WeakPolarHBondContact O-CA 3.35Å; E126-K131 HydrophobicContact CB-CG 4.08Å; E126-K131 HydrophobicContact CG-CG 3.85Å; E126-K131 WeakPolarHBondContact OE1-CE 3.3Å; E126-K131 IonicContact OE1-NZ 3.7Å; E126-K131 WeakPolarHBondContact OE2-CE 3.28Å; E126-K131 IonicContact OE2-NZ 3.75Å
132I97.8Very high97.1Very high1 Ų146.1 Ų46.11%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-126.9132.8168.6-59.5-174.6000107.9T124 L125 L134 V148 E149 R150 Y153 L158 P159T124-I132 WeakPolarHBondContact CA-O 3.44Å; L125-I132 PolarHBondContact N-O 2.85Å; L125-I132 PolarHBondContact O-N 3.15Å; I132-L134 HydrophobicContact CG2-CD2 3.65Å; I132-L134 HydrophobicContact CG2-CG 4.03Å; I132-V148 HydrophobicContact CG2-CG1 3.9Å; I132-E149 WeakPolarHBondContact CA-O 3.47Å; I132-E149 WeakPolarHBondContact CG2-O 3.21Å; I132-R150 HydrophobicContact CD1-CG 4.27Å; I132-R150 VanDerWaalsContact CD1-NH1 3.32Å; I132-R150 HydrophobicContact CG2-CG 4.47Å; I132-Y153 HydrophobicContact CD1-CD1 3.57Å; I132-Y153 HydrophobicContact CD1-CD2 4.23Å; I132-Y153 HydrophobicContact CD1-CE1 3.82Å; I132-Y153 HydrophobicContact CD1-CE2 4.48Å; I132-Y153 HydrophobicContact CD1-CG 3.77Å; I132-Y153 HydrophobicContact CG1-CD1 3.98Å; I132-Y153 HydrophobicContact CG1-CD2 3.86Å; I132-Y153 HydrophobicContact CG1-CE1 4.48Å; I132-Y153 HydrophobicContact CG1-CE2 4.42Å; I132-Y153 HydrophobicContact CG1-CG 3.61Å; I132-L158 HydrophobicContact CD1-CD2 3.43Å; I132-L158 VanDerWaalsContact CD1-CD2 3.43Å; I132-L158 HydrophobicContact CG2-CD2 4.35Å; I132-P159 HydrophobicContact CD1-CG 4.45Å; I132-P159 HydrophobicContact CG1-CG 4.48Å
133R97.8Very high97.2Very high59 Ų5945.4 Ų45.422%0.22323%0.234CC..EExtended strand (participates in β ladder)trans-95.5129.9172.8-167.474.2170.9142.49.2108.6C103 D104 P122 T124 E149C103-R133 HydrophobicContact CB-CB 4.41Å; C103-R133 HydrophobicContact CB-CG 3.98Å; D104-R133 IonicContact OD1-CZ 3.37Å; D104-R133 IonicContact OD1-NE 3.53Å; D104-R133 PolarHBondContact OD1-NE 3.41Å; D104-R133 VanDerWaalsContact OD1-NE 3.12Å; D104-R133 IonicContact OD1-NH2 3.65Å; D104-R133 PolarHBondContact OD1-NH2 2.86Å; D104-R133 IonicContact OD2-CZ 2.64Å; D104-R133 IonicContact OD2-NE 2.82Å; D104-R133 PolarHBondContact OD2-NE 2.99Å; D104-R133 IonicContact OD2-NH2 2.81Å; P122-R133 VanDerWaalsContact C-NH1 3.28Å; P122-R133 VanDerWaalsContact C-NH2 3.27Å; P122-R133 PolarHBondContact O-NH1 2.82Å; P122-R133 PolarHBondContact O-NH2 3.02Å; T124-R133 WeakPolarHBondContact OG1-CD 3.24Å; T124-R133 PolarHBondContact OG1-NH1 3.15Å; T124-R133 VanDerWaalsContact OG1-NH1 3.13Å; R133-E149 HydrophobicContact CB-CB 4.13Å; R133-E149 PolarHBondContact N-O 3.03Å; R133-E149 PolarHBondContact O-N 3.46Å
134L97.9Very high97.3Very high13 Ų1344.1 Ų44.17%0.06823%0.229CC..EExtended strand (participates in β ladder)trans-130147.9-176.5-62.9-177.1000111.4P122 H123 L125 I132 T146 F147 V148P122-L134 CarbonylContact C-O 3.59Å; P122-L134 VanDerWaalsContact CA-O 3.24Å; P122-L134 WeakPolarHBondContact CA-O 3.42Å; H123-L134 PolarHBondContact N-O 3.31Å; H123-L134 PolarHBondContact ND1-O 2.98Å; H123-L134 VanDerWaalsContact ND1-O 3.15Å; H123-L134 PolarHBondContact O-N 3.43Å; L125-L134 HydrophobicContact CD1-CD1 3.41Å; L125-L134 VanDerWaalsContact CD1-CD1 3.41Å; L125-L134 HydrophobicContact CD1-CG 4.49Å; L125-L134 HydrophobicContact CG-CD1 3.83Å; I132-L134 HydrophobicContact CG2-CD2 3.65Å; I132-L134 HydrophobicContact CG2-CG 4.03Å; L134-T146 HydrophobicContact CD2-CG2 4.26Å; L134-F147 VanDerWaalsContact CA-O 3.27Å; L134-F147 WeakPolarHBondContact CA-O 3.33Å; L134-F147 WeakPolarHBondContact CD2-O 3.46Å; L134-V148 HydrophobicContact CD2-CB 4.02Å; L134-V148 HydrophobicContact CD2-CG1 3.81Å; L134-V148 HydrophobicContact CD2-CG2 3.82Å
135A97.9Very high97.4Very high0 Ų040.9 Ų40.90%021%0.209CC..EExtended strand (participates in β ladder)trans-144156.3164.800000109.9V107 K120 P122 L137 T146 F147V107-A135 HydrophobicContact CG2-CB 3.48Å; V107-A135 VanDerWaalsContact CG2-CB 3.48Å; K120-A135 WeakPolarHBondContact O-CA 3.42Å; P122-A135 HydrophobicContact CG-CB 4.07Å; A135-L137 HydrophobicContact CB-CD1 4.39Å; A135-T146 CarbonylContact O-C 3.59Å; A135-T146 VanDerWaalsContact O-CA 3.3Å; A135-T146 WeakPolarHBondContact O-CA 3.35Å; A135-F147 PolarHBondContact N-O 3.03Å; A135-F147 PolarHBondContact O-N 2.98Å
136V98.3Very high97.5Very high22 Ų2239.4 Ų39.413%0.13320%0.202CC..EExtended strand (participates in β ladder)trans-128.7126.3-179.4-172.80000110I119 K120 T144 H145 T146I119-V136 HydrophobicContact CB-CB 4.24Å; I119-V136 HydrophobicContact CB-CG1 4.02Å; I119-V136 HydrophobicContact CG2-CG1 4.3Å; I119-V136 PolarHBondContact N-O 2.73Å; K120-V136 HydrophobicContact CB-CB 3.89Å; K120-V136 HydrophobicContact CB-CG2 3.94Å; K120-V136 PolarHBondContact N-O 3.29Å; K120-V136 VanDerWaalsContact N-O 3.1Å; K120-V136 PolarHBondContact O-N 3.13Å; V136-T144 HydrophobicContact CG1-CG2 4.11Å; V136-H145 WeakPolarHBondContact CA-O 3.43Å; V136-T146 HydrophobicContact CG2-CG2 4.36Å
137L97.7Very high97.6Very high0 Ų033.5 Ų33.50%018%0.175CC..EExtended strand (participates in β ladder)trans-117.8145.9179.5-69.371.1000110.2V107 A111 A116 I117 I118 A135 T144 H145 F147 L205V107-L137 HydrophobicContact CG2-CD1 4.18Å; A111-L137 HydrophobicContact CB-CD2 3.5Å; A116-L137 HydrophobicContact CB-CD2 4.26Å; I117-L137 WeakPolarHBondContact O-CA 3.25Å; I118-L137 HydrophobicContact CD1-CD1 4.34Å; I118-L137 HydrophobicContact CD1-CD2 4.14Å; I118-L137 HydrophobicContact CD1-CG 3.73Å; A135-L137 HydrophobicContact CB-CD1 4.39Å; L137-T144 CarbonylContact O-C 3.46Å; L137-T144 VanDerWaalsContact O-CA 3.24Å; L137-T144 WeakPolarHBondContact O-CA 3.33Å; L137-T144 WeakPolarHBondContact O-CB 3.23Å; L137-H145 PolarHBondContact N-O 2.84Å; L137-H145 PolarHBondContact O-N 2.79Å; L137-F147 HydrophobicContact CD1-CD2 4.12Å; L137-F147 HydrophobicContact CD1-CE1 4.3Å; L137-F147 HydrophobicContact CD1-CE2 3.84Å; L137-F147 HydrophobicContact CD1-CG 4.46Å; L137-F147 HydrophobicContact CD1-CZ 3.93Å; L137-F147 HydrophobicContact CD2-CE2 4.05Å; L137-F147 HydrophobicContact CD2-CZ 3.76Å; L137-F147 HydrophobicContact CG-CZ 4.45Å; L137-L205 HydrophobicContact CD2-CD2 4.2Å
138Q97.7Very high97.7Very high33 Ų3331.4 Ų31.415%0.15416%0.163CC..EExtended strand (participates in β ladder)trans-84134.5171.4-178.45857.900110.6I117 I119 G141 T143 W200I117-Q138 HydrophobicContact CB-CB 4Å; I117-Q138 HydrophobicContact CG2-CB 4.21Å; I117-Q138 PolarHBondContact O-N 3.39Å; I119-Q138 HydrophobicContact CD1-CB 4Å; I119-Q138 HydrophobicContact CG1-CB 3.93Å; Q138-G141 PolarHBondContact NE2-O 3.1Å; Q138-T143 PolarHBondContact NE2-O 3.41Å; Q138-W200 WeakPolarHBondContact O-CZ2 3.48Å; Q138-W200 PolarHBondContact O-NE1 2.92Å
139T97.3Very high97.8Very high12 Ų1222.3 Ų22.37%0.07412%0.124CC..  trans-117.8-137.9169.5-171.10000109.9T143T139-T143 HydrophobicContact CG2-CG2 4.08Å; T139-T143 WeakPolarHBondContact CG2-O 3.37Å; T139-T143 PolarHBondContact N-O 3.26Å
140Y97.5Very high97.7Very high2 Ų222.8 Ų22.81%0.00812%0.121CC..SBendtrans-65.9144.6177.949.2-97.9000114.7D142 T143 I197 Y201 M239 I241 V265Y140-D142 PolarHBondContact O-N 2.7Å; Y140-T143 HydrophobicContact CE2-CG2 3.97Å; Y140-T143 WeakPolarHBondContact CE2-OG1 3.32Å; Y140-T143 VanDerWaalsContact O-CB 3.25Å; Y140-T143 WeakPolarHBondContact O-CB 3.33Å; Y140-T143 PolarHBondContact O-N 3.48Å; Y140-T143 PolarHBondContact O-OG1 2.73Å; Y140-I197 HydrophobicContact CD1-CG2 3.58Å; Y140-I197 HydrophobicContact CE1-CG2 4.41Å; Y140-I197 HydrophobicContact CG-CG2 4.32Å; Y140-Y201 HydrophobicContact CD1-CE2 4.28Å; Y140-Y201 HydrophobicContact CE1-CE2 4.08Å; Y140-Y201 WeakPolarHBondContact CE1-OH 3.34Å; Y140-M239 WeakPolarHBondContact OH-CE 3.41Å; Y140-I241 HydrophobicContact CE1-CD1 3.97Å; Y140-V265 HydrophobicContact CE2-CG2 4.41Å
141G97.2Very high97.3Very high32 Ų3228.5 Ų28.533%0.3314%0.139SC..THydrogen-bonded Turntrans54.4-131.7177.900000111.7Q138Q138-G141 PolarHBondContact NE2-O 3.1Å
142D98.1Very high96.9Very high53 Ų5326.1 Ų26.128%0.28315%0.146SC..THydrogen-bonded Turntrans-95.110.5173.9-66.8-60.6000112.6K88 H89 K94 Y140K88-D142 IonicContact NZ-OD2 3.69Å; K88-D142 PolarHBondContact NZ-OD2 3.42Å; H89-D142 IonicContact CE1-OD2 2.68Å; H89-D142 IonicContact NE2-OD2 3.82Å; H89-D142 PolarHBondContact NE2-OD2 2.89Å; K94-D142 WeakPolarHBondContact CD-O 3.39Å; K94-D142 WeakPolarHBondContact CE-O 3.45Å; K94-D142 PolarHBondContact NZ-O 3.45Å; Y140-D142 PolarHBondContact O-N 2.7Å
143T98.8Very high96.8Very high1 Ų127.4 Ų27.41%0.00615%0.151CC..  trans-81.6135.2-176.4-50.20000111.3K94 V96 Q138 T139 Y140 V265K94-T143 WeakPolarHBondContact O-CA 3.24Å; V96-T143 HydrophobicContact CG2-CG2 4.48Å; Q138-T143 PolarHBondContact NE2-O 3.41Å; T139-T143 HydrophobicContact CG2-CG2 4.08Å; T139-T143 WeakPolarHBondContact CG2-O 3.37Å; T139-T143 PolarHBondContact N-O 3.26Å; Y140-T143 HydrophobicContact CE2-CG2 3.97Å; Y140-T143 WeakPolarHBondContact CE2-OG1 3.32Å; Y140-T143 VanDerWaalsContact O-CB 3.25Å; Y140-T143 WeakPolarHBondContact O-CB 3.33Å; Y140-T143 PolarHBondContact O-N 3.48Å; Y140-T143 PolarHBondContact O-OG1 2.73Å; T143-V265 HydrophobicContact CG2-CG2 4.35Å
144T98.8Very high96.7Very high10 Ų1033.3 Ų33.36%0.06118%0.178CC..EExtended strand (participates in β ladder)trans-112.2162.7175.258.80000112.6K94 D95 V96 I119 V136 L137K94-T144 PolarHBondContact O-N 3.12Å; K94-T144 PolarHBondContact O-OG1 2.95Å; D95-T144 WeakPolarHBondContact CA-O 3.41Å; D95-T144 WeakPolarHBondContact CB-OG1 3.22Å; D95-T144 VanDerWaalsContact OD2-C 3.28Å; D95-T144 WeakPolarHBondContact OD2-CB 3.49Å; D95-T144 PolarHBondContact OD2-OG1 2.64Å; V96-T144 PolarHBondContact N-O 2.74Å; I119-T144 HydrophobicContact CG1-CG2 4.4Å; V136-T144 HydrophobicContact CG1-CG2 4.11Å; L137-T144 CarbonylContact O-C 3.46Å; L137-T144 VanDerWaalsContact O-CA 3.24Å; L137-T144 WeakPolarHBondContact O-CA 3.33Å; L137-T144 WeakPolarHBondContact O-CB 3.23Å
145H98.8Very high96.5Very high0 Ų033.6 Ų33.60%019%0.185CC..EExtended strand (participates in β ladder)trans-116.6121.1165.5-71.4-50.1000110.3V96 F98 V136 L137 F147 W200 Y201V96-H145 WeakPolarHBondContact O-CA 3.4Å; V96-H145 PolarHBondContact O-ND1 3.24Å; F98-H145 HydrophobicContact CD2-CB 4.35Å; F98-H145 HydrophobicContact CE2-CB 4.02Å; F98-H145 AromaticContact CE2-CD2 3.96Å; F98-H145 AromaticContact CE2-CE1 3.62Å; F98-H145 AromaticContact CE2-CG 3.51Å; F98-H145 AromaticContact CE2-ND1 3.28Å; F98-H145 VanDerWaalsContact CE2-ND1 3.28Å; F98-H145 WeakPolarHBondContact CE2-ND1 3.23Å; F98-H145 AromaticContact CZ-CE1 3.48Å; F98-H145 VanDerWaalsContact CZ-CE1 3.48Å; F98-H145 WeakPolarHBondContact CZ-CE1 3.36Å; F98-H145 AromaticContact CZ-ND1 3.49Å; F98-H145 WeakPolarHBondContact CZ-ND1 3.28Å; V136-H145 WeakPolarHBondContact CA-O 3.43Å; L137-H145 PolarHBondContact N-O 2.84Å; L137-H145 PolarHBondContact O-N 2.79Å; H145-F147 HydrophobicContact CB-CE1 4.19Å; H145-W200 AromaticContact CD2-CH2 3.9Å; H145-W200 AromaticContact CD2-CZ3 3.95Å; H145-Y201 PolarHBondContact CE1-OH 3.39Å; H145-Y201 AromaticContact NE2-CE1 3.38Å; H145-Y201 WeakPolarHBondContact NE2-CE1 2.91Å; H145-Y201 AromaticContact NE2-CZ 3.39Å; H145-Y201 PolarHBondContact NE2-OH 2.96Å
146T98.8Very high96.4Very high21 Ų2137.2 Ų37.213%0.12920%0.204CC..EExtended strand (participates in β ladder)trans-94.9121.8169.8-61.90000110.2D95 A97 F98 L134 A135 V136 V148D95-T146 WeakPolarHBondContact OD1-CB 3.36Å; D95-T146 PolarHBondContact OD1-N 3.09Å; D95-T146 PolarHBondContact OD1-OG1 2.64Å; D95-T146 PolarHBondContact OD2-N 3.32Å; D95-T146 PolarHBondContact OD2-OG1 3.36Å; A97-T146 CarbonylContact C-O 3.59Å; A97-T146 WeakPolarHBondContact CA-O 3.33Å; A97-T146 WeakPolarHBondContact CB-O 3.3Å; F98-T146 PolarHBondContact N-O 2.98Å; L134-T146 HydrophobicContact CD2-CG2 4.26Å; A135-T146 CarbonylContact O-C 3.59Å; A135-T146 VanDerWaalsContact O-CA 3.3Å; A135-T146 WeakPolarHBondContact O-CA 3.35Å; V136-T146 HydrophobicContact CG2-CG2 4.36Å; T146-V148 HydrophobicContact CG2-CG2 3.97Å
147F98.5Very high96.3Very high0 Ų036.5 Ų36.50%020%0.199CC..EExtended strand (participates in β ladder)trans-85.3132.5170.9-65.5-3000109.2F16 F98 V100 L106 V107 L134 A135 L137 H145 L205F16-F147 HydrophobicContact CE1-CD1 4.2Å; F16-F147 AromaticContact CE1-CE1 3.68Å; F16-F147 HydrophobicContact CE1-CE1 3.68Å; F16-F147 HydrophobicContact CE1-CE2 4.42Å; F16-F147 AromaticContact CE1-CZ 3.8Å; F16-F147 HydrophobicContact CE1-CZ 3.8Å; F16-F147 HydrophobicContact CZ-CE1 4.18Å; F16-F147 HydrophobicContact CZ-CE2 4.27Å; F16-F147 AromaticContact CZ-CZ 3.82Å; F16-F147 HydrophobicContact CZ-CZ 3.82Å; F98-F147 HydrophobicContact CD2-CD1 4.18Å; F98-F147 AromaticContact CD2-CE1 3.99Å; F98-F147 HydrophobicContact CD2-CE1 3.99Å; V100-F147 HydrophobicContact CG1-CB 4.25Å; V100-F147 HydrophobicContact CG1-CD1 4.44Å; V100-F147 HydrophobicContact CG1-CG 4.23Å; V100-F147 HydrophobicContact CG2-CB 3.91Å; L106-F147 HydrophobicContact CB-CD2 4.23Å; L106-F147 HydrophobicContact CB-CE2 4.04Å; V107-F147 HydrophobicContact CG2-CD2 3.81Å; V107-F147 HydrophobicContact CG2-CE2 4.05Å; L134-F147 VanDerWaalsContact CA-O 3.27Å; L134-F147 WeakPolarHBondContact CA-O 3.33Å; L134-F147 WeakPolarHBondContact CD2-O 3.46Å; A135-F147 PolarHBondContact N-O 3.03Å; A135-F147 PolarHBondContact O-N 2.98Å; L137-F147 HydrophobicContact CD1-CD2 4.12Å; L137-F147 HydrophobicContact CD1-CE1 4.3Å; L137-F147 HydrophobicContact CD1-CE2 3.84Å; L137-F147 HydrophobicContact CD1-CG 4.46Å; L137-F147 HydrophobicContact CD1-CZ 3.93Å; L137-F147 HydrophobicContact CD2-CE2 4.05Å; L137-F147 HydrophobicContact CD2-CZ 3.76Å; L137-F147 HydrophobicContact CG-CZ 4.45Å; H145-F147 HydrophobicContact CB-CE1 4.19Å; F147-L205 HydrophobicContact CZ-CD2 3.71Å
148V98.6Very high96.3Very high0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-126.9105.4-174.1-170.30000110.2D20 A97 F98 T99 V100 I132 L134 T146 R150 L158D20-V148 HydrophobicContact CB-CB 4.35Å; D20-V148 HydrophobicContact CB-CG2 4.18Å; A97-V148 HydrophobicContact CB-CG2 4.14Å; F98-V148 PolarHBondContact O-N 2.79Å; T99-V148 WeakPolarHBondContact CA-O 3.47Å; V100-V148 PolarHBondContact N-O 2.96Å; I132-V148 HydrophobicContact CG2-CG1 3.9Å; L134-V148 HydrophobicContact CD2-CB 4.02Å; L134-V148 HydrophobicContact CD2-CG1 3.81Å; L134-V148 HydrophobicContact CD2-CG2 3.82Å; T146-V148 HydrophobicContact CG2-CG2 3.97Å; V148-R150 HydrophobicContact CG1-CG 3.87Å; V148-L158 HydrophobicContact CG1-CD2 4.22Å
149E98.1Very high96.3Very high9 Ų936.2 Ų36.24%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-106.3111.3175.7173.9176-15000110.7V100 D102 C103 I132 R133 K151V100-E149 HydrophobicContact CG2-CB 4.15Å; V100-E149 WeakPolarHBondContact O-CA 3.35Å; V100-E149 WeakPolarHBondContact O-CB 3.48Å; D102-E149 WeakPolarHBondContact CA-OE1 3.49Å; D102-E149 PolarHBondContact N-OE1 3.33Å; C103-E149 HydrophobicContact CB-CB 3.95Å; C103-E149 WeakPolarHBondContact CB-OE2 3.45Å; C103-E149 PolarHBondContact N-OE2 3.39Å; I132-E149 WeakPolarHBondContact CA-O 3.47Å; I132-E149 WeakPolarHBondContact CG2-O 3.21Å; R133-E149 HydrophobicContact CB-CB 4.13Å; R133-E149 PolarHBondContact N-O 3.03Å; R133-E149 PolarHBondContact O-N 3.46Å; E149-K151 HydrophobicContact CG-CD 4.28Å; E149-K151 HydrophobicContact CG-CG 4.06Å; E149-K151 VanDerWaalsContact OE1-CD 3.3Å; E149-K151 WeakPolarHBondContact OE1-CD 3.48Å; E149-K151 WeakPolarHBondContact OE1-CE 3.43Å; E149-K151 IonicContact OE1-NZ 3.81Å; E149-K151 PolarHBondContact OE1-NZ 3.09Å
150R94.3Very high96.3Very high71 Ų7137.5 Ų37.527%0.26822%0.215SC..  trans-103.363.8-173.9-56.9173.1176.7-81.72.4110.7D20 I132 V148 G152 F157 L158D20-R150 IonicContact OD1-CZ 2.83Å; D20-R150 IonicContact OD1-NE 3.46Å; D20-R150 IonicContact OD1-NH2 2.64Å; D20-R150 PolarHBondContact OD1-NH2 2.92Å; D20-R150 IonicContact OD2-CZ 3.67Å; D20-R150 IonicContact OD2-NE 3.54Å; D20-R150 PolarHBondContact OD2-NE 2.91Å; D20-R150 IonicContact OD2-NH2 3.74Å; D20-R150 PolarHBondContact OD2-NH2 3.47Å; I132-R150 HydrophobicContact CD1-CG 4.27Å; I132-R150 VanDerWaalsContact CD1-NH1 3.32Å; I132-R150 HydrophobicContact CG2-CG 4.47Å; V148-R150 HydrophobicContact CG1-CG 3.87Å; R150-G152 PolarHBondContact O-N 2.85Å; R150-F157 PolarHBondContact NH1-O 3.37Å; R150-L158 VanDerWaalsContact NH2-CD2 3.31Å
151K87.7Confident96.3Very high147 Ų14738.2 Ų38.264%0.63922%0.218SC*.SBendtrans-71.292.4177.2-85175.6169.3150.20111.1E149 Y153E149-K151 HydrophobicContact CG-CD 4.28Å; E149-K151 HydrophobicContact CG-CG 4.06Å; E149-K151 VanDerWaalsContact OE1-CD 3.3Å; E149-K151 WeakPolarHBondContact OE1-CD 3.48Å; E149-K151 WeakPolarHBondContact OE1-CE 3.43Å; E149-K151 IonicContact OE1-NZ 3.81Å; E149-K151 PolarHBondContact OE1-NZ 3.09Å; K151-Y153 VanDerWaalsContact C-N 3.33Å; K151-Y153 PolarHBondContact O-N 3.35Å
152G87.3Confident96.4Very high63 Ų6340.7 Ų40.765%0.64922%0.221SC*.SBendtrans75.713.5173.200000115.5R150R150-G152 PolarHBondContact O-N 2.85Å
153Y96.6Very high96.4Very high27 Ų2742.4 Ų42.411%0.10624%0.235CC..  trans-71.9129.1176-174.2-103.4000111.3D127 N129 I132 K151 F157 P159D127-Y153 VanDerWaalsContact OD1-CE2 3.31Å; D127-Y153 WeakPolarHBondContact OD1-CE2 3.46Å; D127-Y153 PolarHBondContact OD2-OH 2.64Å; N129-Y153 HydrophobicContact CB-CD2 4.42Å; N129-Y153 HydrophobicContact CB-CE2 3.96Å; I132-Y153 HydrophobicContact CD1-CD1 3.57Å; I132-Y153 HydrophobicContact CD1-CD2 4.23Å; I132-Y153 HydrophobicContact CD1-CE1 3.82Å; I132-Y153 HydrophobicContact CD1-CE2 4.48Å; I132-Y153 HydrophobicContact CD1-CG 3.77Å; I132-Y153 HydrophobicContact CG1-CD1 3.98Å; I132-Y153 HydrophobicContact CG1-CD2 3.86Å; I132-Y153 HydrophobicContact CG1-CE1 4.48Å; I132-Y153 HydrophobicContact CG1-CE2 4.42Å; I132-Y153 HydrophobicContact CG1-CG 3.61Å; K151-Y153 VanDerWaalsContact C-N 3.33Å; K151-Y153 PolarHBondContact O-N 3.35Å; Y153-F157 WeakPolarHBondContact CE1-O 3.3Å; Y153-P159 HydrophobicContact CE2-CG 3.7Å
154K94.9Very high96.3Very high183 Ų18344 Ų4480%0.79625%0.245SC*.  trans-1148.9-176.2-61.3-177.6-178.1178.70113.9N129N129-K154 PolarHBondContact O-N 3.29Å
155G94.3Very high96Very high20 Ų2048.4 Ų48.421%0.20627%0.268CS..SBendtrans-73.3170.8178.700000112.2N129 F157N129-G155 VanDerWaalsContact CB-N 3.35Å; G155-F157 PolarHBondContact O-N 2.83Å
156L95Very high95.8Very high76 Ų7655 Ų5540%0.39830%0.297SS..SBendtrans-65.9-36.5-174.369.494.3000113.6A46 F161 P163A46-L156 HydrophobicContact CB-CD1 3.17Å; L156-F161 HydrophobicContact CD1-CB 4.48Å; L156-P163 HydrophobicContact CD2-CG 4.31Å
157F97.6Very high95.6Very high6 Ų662.4 Ų62.43%0.02633%0.327CS..SBendtrans-151.3-87.8-179.7178.9-129.2000110.7H21 L45 A46 A61 I68 V70 R150 Y153 G155 F161H21-F157 HydrophobicContact CB-CE2 4.27Å; H21-F157 HydrophobicContact CB-CZ 4.21Å; H21-F157 AromaticContact CD2-CZ 3.98Å; H21-F157 AromaticContact CG-CZ 3.77Å; H21-F157 AromaticContact ND1-CE2 3.98Å; H21-F157 AromaticContact ND1-CZ 3.79Å; L45-F157 HydrophobicContact CD2-CB 4.12Å; L45-F157 HydrophobicContact CD2-CD2 4.07Å; L45-F157 HydrophobicContact CD2-CG 4.14Å; L45-F157 HydrophobicContact CG-CB 4.48Å; A46-F157 HydrophobicContact CB-CB 4.15Å; A46-F157 HydrophobicContact CB-CD1 4.45Å; A61-F157 HydrophobicContact CB-CD1 4.18Å; A61-F157 HydrophobicContact CB-CE1 4.24Å; I68-F157 HydrophobicContact CD1-CD2 4.2Å; I68-F157 HydrophobicContact CD1-CE2 4.16Å; I68-F157 HydrophobicContact CG2-CD2 4.43Å; I68-F157 HydrophobicContact CG2-CE2 3.88Å; I68-F157 HydrophobicContact CG2-CZ 4.16Å; V70-F157 HydrophobicContact CG2-CE1 3.78Å; V70-F157 HydrophobicContact CG2-CZ 3.73Å; R150-F157 PolarHBondContact NH1-O 3.37Å; Y153-F157 WeakPolarHBondContact CE1-O 3.3Å; G155-F157 PolarHBondContact O-N 2.83Å; F157-F161 HydrophobicContact CD1-CB 4.46Å; F157-F161 HydrophobicContact CD1-CD1 4.05Å; F157-F161 AromaticContact CD1-CD2 3.97Å; F157-F161 HydrophobicContact CD1-CD2 3.97Å; F157-F161 HydrophobicContact CD1-CE1 4.21Å; F157-F161 HydrophobicContact CD1-CE2 4.14Å; F157-F161 AromaticContact CD1-CG 3.91Å; F157-F161 HydrophobicContact CD1-CG 3.91Å; F157-F161 HydrophobicContact CD1-CZ 4.26Å; F157-F161 HydrophobicContact CE1-CD2 4.34Å; F157-F161 HydrophobicContact CE1-CE1 4.26Å; F157-F161 HydrophobicContact CE1-CE2 4.04Å; F157-F161 AromaticContact CE1-CZ 4Å; F157-F161 HydrophobicContact CE1-CZ 4Å
158L97.3Very high95.5Very high15 Ų1564.1 Ų64.18%0.07934%0.337CS..SBendtrans-129.6153.9177.3-66.8174.2000109.8I132 V148 R150 G160 F161I132-L158 HydrophobicContact CD1-CD2 3.43Å; I132-L158 VanDerWaalsContact CD1-CD2 3.43Å; I132-L158 HydrophobicContact CG2-CD2 4.35Å; V148-L158 HydrophobicContact CG1-CD2 4.22Å; R150-L158 VanDerWaalsContact NH2-CD2 3.31Å; L158-G160 PolarHBondContact O-N 2.64Å; L158-F161 HydrophobicContact CB-CD2 3.9Å; L158-F161 HydrophobicContact CB-CE2 4.29Å; L158-F161 HydrophobicContact CD1-CE2 4.44Å; L158-F161 WeakPolarHBondContact O-CB 3.24Å; L158-F161 PolarHBondContact O-N 3.3Å; L158-F161 VanDerWaalsContact O-N 3.08Å
159P97.4Very high95.5Very high12 Ų1268.1 Ų68.18%0.07836%0.363CS..THydrogen-bonded Turntrans-53.3138.8171.1-26.333.5000112.5L125 D127 I132 Y153 F161L125-P159 HydrophobicContact CB-CB 3.93Å; L125-P159 HydrophobicContact CB-CG 3.76Å; D127-P159 HydrophobicContact CB-CB 4.11Å; D127-P159 VanDerWaalsContact OD2-CA 3.3Å; D127-P159 WeakPolarHBondContact OD2-CA 3.36Å; I132-P159 HydrophobicContact CD1-CG 4.45Å; I132-P159 HydrophobicContact CG1-CG 4.48Å; Y153-P159 HydrophobicContact CE2-CG 3.7Å; P159-F161 VanDerWaalsContact C-N 3.3Å
160G96.4Very high95.5Very high40 Ų4071.6 Ų71.641%0.41238%0.381SS..THydrogen-bonded Turntrans84.4-3.6-174.900000114.9R48 L158 H162R48-G160 WeakPolarHBondContact CG-O 3.45Å; L158-G160 PolarHBondContact O-N 2.64Å; G160-H162 PolarHBondContact O-CD2 2.79Å
161F98.3Very high95.7Very high17 Ų1768.9 Ų68.98%0.07537%0.372CS..  trans-94.9142.9165.9-77.1-100.2000111.1A46 R48 A61 V70 L156 F157 L158 P159A46-F161 HydrophobicContact CB-CB 3.91Å; A46-F161 HydrophobicContact CB-CD1 3.74Å; A46-F161 HydrophobicContact CB-CG 4.22Å; R48-F161 HydrophobicContact CB-CD1 3.96Å; R48-F161 HydrophobicContact CB-CE1 4.04Å; R48-F161 HydrophobicContact CB-CG 4.29Å; R48-F161 HydrophobicContact CB-CZ 4.43Å; A61-F161 HydrophobicContact CB-CE1 4.31Å; V70-F161 HydrophobicContact CG1-CE1 4.42Å; V70-F161 HydrophobicContact CG1-CZ 4.2Å; L156-F161 HydrophobicContact CD1-CB 4.48Å; F157-F161 HydrophobicContact CD1-CB 4.46Å; F157-F161 HydrophobicContact CD1-CD1 4.05Å; F157-F161 AromaticContact CD1-CD2 3.97Å; F157-F161 HydrophobicContact CD1-CD2 3.97Å; F157-F161 HydrophobicContact CD1-CE1 4.21Å; F157-F161 HydrophobicContact CD1-CE2 4.14Å; F157-F161 AromaticContact CD1-CG 3.91Å; F157-F161 HydrophobicContact CD1-CG 3.91Å; F157-F161 HydrophobicContact CD1-CZ 4.26Å; F157-F161 HydrophobicContact CE1-CD2 4.34Å; F157-F161 HydrophobicContact CE1-CE1 4.26Å; F157-F161 HydrophobicContact CE1-CE2 4.04Å; F157-F161 AromaticContact CE1-CZ 4Å; F157-F161 HydrophobicContact CE1-CZ 4Å; L158-F161 HydrophobicContact CB-CD2 3.9Å; L158-F161 HydrophobicContact CB-CE2 4.29Å; L158-F161 HydrophobicContact CD1-CE2 4.44Å; L158-F161 WeakPolarHBondContact O-CB 3.24Å; L158-F161 PolarHBondContact O-N 3.3Å; L158-F161 VanDerWaalsContact O-N 3.08Å; P159-F161 VanDerWaalsContact C-N 3.3Å
162H98.1Very high96.2Very high83 Ų8367.2 Ų67.238%0.38438%0.376SS..BIsolated β-bridgetrans-118.7166-178.1-63.6-102.1000110.3A46 Y47 T52 G160A46-H162 CarbonylContact C-O 3.55Å; A46-H162 WeakPolarHBondContact CA-O 3.39Å; Y47-H162 PolarHBondContact N-O 3.37Å; Y47-H162 PolarHBondContact O-N 3.41Å; T52-H162 WeakPolarHBondContact CB-CD2 3.47Å; T52-H162 HydrophobicContact CG2-CB 3.84Å; G160-H162 PolarHBondContact O-CD2 2.79Å
163P98.2Very high96.7Very high89 Ų8972.3 Ų72.358%0.57838%0.38SS*.  trans-53.1146.9170.7-26.936.1000112L156 L165L156-P163 HydrophobicContact CD2-CG 4.31Å; P163-L165 PolarHBondContact O-N 2.86Å
164P96.9Very high96.8Very high34 Ų3473.1 Ų73.122%0.22139%0.386CS..  trans-54.6135.2177.9-24.232.8000111.8P44 L45 F166P44-P164 HydrophobicContact CB-CB 3.66Å; P44-P164 HydrophobicContact CB-CG 3.58Å; L45-P164 WeakPolarHBondContact O-CD 3.46Å; P164-F166 PolarHBondContact O-N 2.91Å
165L93.5Very high96.9Very high103 Ų10366 Ų6654%0.53936%0.358SS..SBendtrans-69.4-24.9178.7-61.3-176.3000113Y47 E51 P163Y47-L165 HydrophobicContact CD1-CD1 3.66Å; Y47-L165 HydrophobicContact CD1-CD2 4.23Å; Y47-L165 HydrophobicContact CD1-CG 3.58Å; Y47-L165 HydrophobicContact CE1-CD1 3.31Å; Y47-L165 HydrophobicContact CE1-CG 3.82Å; Y47-L165 HydrophobicContact CG-CD1 4.42Å; Y47-L165 HydrophobicContact CG-CG 4.14Å; E51-L165 HydrophobicContact CB-CD1 3.99Å; E51-L165 HydrophobicContact CG-CD1 3.85Å; P163-L165 PolarHBondContact O-N 2.86Å
166F94.4Very high97Very high138 Ų13868.9 Ų68.961%0.60538%0.375SS*.  trans-136.1133.9-176.4178.3-115.6000110.1P164 D168P164-F166 PolarHBondContact O-N 2.91Å; F166-D168 HydrophobicContact CD1-CB 4.29Å; F166-D168 VanDerWaalsContact CE1-CA 3.49Å; F166-D168 HydrophobicContact CE1-CB 3.63Å; F166-D168 HydrophobicContact CZ-CB 4.26Å
167K94.5Very high97.2Very high178 Ų17865.3 Ų65.377%0.77436%0.356SS*.  trans-108.8110.1169.5-66.8-174.4179-174.90107.5P169K167-P169 WeakPolarHBondContact O-CD 3.21Å
168D97Very high97.2Very high36 Ų3668.8 Ų68.819%0.19337%0.371CS..  trans-68.2116.6-178.6-177.2-14.2000110.2F166 L170 L171F166-D168 HydrophobicContact CD1-CB 4.29Å; F166-D168 VanDerWaalsContact CE1-CA 3.49Å; F166-D168 HydrophobicContact CE1-CB 3.63Å; F166-D168 HydrophobicContact CZ-CB 4.26Å; D168-L170 PolarHBondContact O-N 2.94Å; D168-L170 VanDerWaalsContact OD1-CB 3.23Å; D168-L170 WeakPolarHBondContact OD1-CB 3.16Å; D168-L170 PolarHBondContact OD1-N 3.42Å; D168-L171 HydrophobicContact CB-CD1 3.95Å; D168-L171 HydrophobicContact CB-CG 3.86Å; D168-L171 PolarHBondContact O-N 2.67Å
169P97.7Very high97.2Very high84 Ų8468.4 Ų68.455%0.54537%0.369SS..THydrogen-bonded Turntrans-70.7-8.3-176.731.5-37.2000113.4K167K167-P169 WeakPolarHBondContact O-CD 3.21Å
170L98.1Very high97.3Very high81 Ų8170.9 Ų70.942%0.42438%0.381SS..THydrogen-bonded Turntrans-74.5-37.1172.6-178.660.1000111.6D168 K173 L174D168-L170 PolarHBondContact O-N 2.94Å; D168-L170 VanDerWaalsContact OD1-CB 3.23Å; D168-L170 WeakPolarHBondContact OD1-CB 3.16Å; D168-L170 PolarHBondContact OD1-N 3.42Å; L170-K173 WeakPolarHBondContact O-CA 3.05Å; L170-K173 WeakPolarHBondContact O-CB 3.22Å; L170-K173 PolarHBondContact O-N 2.82Å; L170-L174 HydrophobicContact CD1-CD2 4.16Å; L170-L174 HydrophobicContact CD1-CG 4.23Å; L170-L174 HydrophobicContact CD2-CD1 4.23Å; L170-L174 HydrophobicContact CG-CD1 3.9Å; L170-L174 HydrophobicContact CG-CD2 4.33Å; L170-L174 HydrophobicContact CG-CG 4.01Å; L170-L174 PolarHBondContact O-N 2.9Å
171L98.1Very high97.4Very high15 Ų1572.4 Ų72.48%0.07938%0.377CS..G310 helixtrans-56.6-44.4-170.4-57.3176.6000113.8C37 N38 P44 D168 K173 L174C37-L171 HydrophobicContact CB-CD1 3.97Å; C37-L171 HydrophobicContact CB-CD2 3.73Å; N38-L171 WeakPolarHBondContact OD1-CD2 3.46Å; P44-L171 HydrophobicContact CG-CD1 4.33Å; D168-L171 HydrophobicContact CB-CD1 3.95Å; D168-L171 HydrophobicContact CB-CG 3.86Å; D168-L171 PolarHBondContact O-N 2.67Å; L171-K173 PolarHBondContact O-N 2.97Å; L171-K173 VanDerWaalsContact O-N 3.16Å; L171-L174 PolarHBondContact O-N 2.94Å
172P97.8Very high97.4Very high111 Ų11172.1 Ų72.172%0.72138%0.376SS*.G310 helixtrans-67.1-14.1177.9-20.334.2000114.2
173K98.4Very high97.4Very high170 Ų17068.6 Ų68.674%0.73936%0.36SS*.G310 helixtrans-92-13.5178.9-55.9177.9-177.8176.10112.7L170 L171L170-K173 WeakPolarHBondContact O-CA 3.05Å; L170-K173 WeakPolarHBondContact O-CB 3.22Å; L170-K173 PolarHBondContact O-N 2.82Å; L171-K173 PolarHBondContact O-N 2.97Å; L171-K173 VanDerWaalsContact O-N 3.16Å
174L98.4Very high97.4Very high45 Ų4564.6 Ų64.624%0.23633%0.333CS..SBendtrans-91.1146.6-179.7-62.8175.8000110.3L170 L171 R285L170-L174 HydrophobicContact CD1-CD2 4.16Å; L170-L174 HydrophobicContact CD1-CG 4.23Å; L170-L174 HydrophobicContact CD2-CD1 4.23Å; L170-L174 HydrophobicContact CG-CD1 3.9Å; L170-L174 HydrophobicContact CG-CD2 4.33Å; L170-L174 HydrophobicContact CG-CG 4.01Å; L170-L174 PolarHBondContact O-N 2.9Å; L171-L174 PolarHBondContact O-N 2.94Å; L174-R285 VanDerWaalsContact CD1-NH1 3.28Å; L174-R285 PolarHBondContact O-NH2 2.83Å
175P98.1Very high97.5Very high33 Ų3363 Ų6321%0.21432%0.323CS..PPolyproline II helixtrans-65.5136-176.828.1-37000111.8G177 N281 E284 R285P175-G177 PolarHBondContact O-N 3.42Å; P175-N281 HydrophobicContact CB-CB 3.94Å; P175-N281 HydrophobicContact CG-CB 4.08Å; P175-E284 HydrophobicContact CG-CB 4.34Å; P175-E284 HydrophobicContact CG-CG 4.34Å; P175-R285 HydrophobicContact CG-CG 4.3Å; P175-R285 PolarHBondContact O-NE 2.94Å; P175-R285 PolarHBondContact O-NH2 3.09Å
176C96.6Very high97.8Very high81 Ų8158.1 Ų58.155%0.54730%0.298SS..PPolyproline II helixtrans-56.9137.6-175.6177.60000113.1K178 N281C176-K178 VanDerWaalsContact C-N 3.26Å; C176-K178 PolarHBondContact O-N 3.34Å; C176-K178 PolarHBondContact SG-N 2.86Å; C176-N281 WeakPolarHBondContact O-CB 3.5Å; C176-N281 PolarHBondContact O-ND2 2.81Å
177G97.5Very high97.9Very high0 Ų051.6 Ų51.60%027%0.269CS..  trans-69.5-19.7-179.200000114.6P175 L179 S278P175-G177 PolarHBondContact O-N 3.42Å; G177-L179 VanDerWaalsContact C-N 3.28Å; G177-L179 PolarHBondContact O-N 2.82Å; G177-S278 WeakPolarHBondContact O-CB 3.27Å; G177-S278 PolarHBondContact O-OG 2.72Å
178K98.1Very high98.1Very high79 Ų7943.1 Ų43.134%0.34323%0.232SC..  trans56.232.8-179.3-65.5-161.7178.8-1740114.8C176 T272 D274 T277C176-K178 VanDerWaalsContact C-N 3.26Å; C176-K178 PolarHBondContact O-N 3.34Å; C176-K178 PolarHBondContact SG-N 2.86Å; K178-T272 VanDerWaalsContact O-CB 3.23Å; K178-T272 WeakPolarHBondContact O-CB 3.41Å; K178-T272 PolarHBondContact O-OG1 3.3Å; K178-D274 HydrophobicContact CD-CB 4.26Å; K178-D274 IonicContact NZ-OD2 3.69Å; K178-D274 PolarHBondContact NZ-OD2 3.15Å; K178-T277 HydrophobicContact CD-CG2 3.76Å
179L98.5Very high98.2Very high8 Ų841.4 Ų41.44%0.04222%0.223CC..  trans-93.3141.5172.7-52178.1000110.5Q64 I67 G177 M270 S278 V351Q64-L179 HydrophobicContact CG-CB 4.26Å; Q64-L179 VanDerWaalsContact OE1-N 3.15Å; I67-L179 HydrophobicContact CD1-CB 3.65Å; G177-L179 VanDerWaalsContact C-N 3.28Å; G177-L179 PolarHBondContact O-N 2.82Å; L179-M270 HydrophobicContact CB-CB 4.46Å; L179-M270 HydrophobicContact CD1-CB 4.11Å; L179-M270 HydrophobicContact CD1-CE 3.65Å; L179-M270 HydrophobicContact CD1-CG 4.49Å; L179-M270 HydrophobicContact CD1-SD 3.65Å; L179-M270 HydrophobicContact CD2-CB 4.25Å; L179-S278 WeakPolarHBondContact CD2-OG 3.4Å; L179-V351 HydrophobicContact CD2-CG1 3.85Å; L179-V351 HydrophobicContact CD2-CG2 4.04Å
180D98.2Very high98.1Very high63 Ų6338.8 Ų38.834%0.33721%0.207SC..  trans-108.6-68.7-175.4-171.314.3000112.7G65 K66 I67 N271G65-D180 CarbonylContact C-O 3.49Å; G65-D180 WeakPolarHBondContact CA-O 3.2Å; K66-D180 WeakPolarHBondContact CA-O 3.22Å; K66-D180 PolarHBondContact N-O 3.48Å; I67-D180 PolarHBondContact N-O 3.43Å; D180-N271 PolarHBondContact N-O 2.81Å
181F98.6Very high97.8Very high73 Ų7338.9 Ų38.932%0.3221%0.208SC..  trans-140.9167.2-17565.3-88.8000112.1K66 D183 N271K66-F181 HydrophobicContact CB-CB 4.06Å; K66-F181 HydrophobicContact CD-CB 4.35Å; F181-D183 PolarHBondContact O-N 2.98Å; F181-N271 HydrophobicContact CD1-CB 3.91Å; F181-N271 HydrophobicContact CD2-CB 4.17Å; F181-N271 HydrophobicContact CE1-CB 3.61Å; F181-N271 VanDerWaalsContact CE1-CG 3.43Å; F181-N271 VanDerWaalsContact CE1-OD1 3.29Å; F181-N271 WeakPolarHBondContact CE1-OD1 3.47Å; F181-N271 HydrophobicContact CE2-CB 3.87Å; F181-N271 HydrophobicContact CG-CB 4.17Å; F181-N271 HydrophobicContact CZ-CB 3.58Å; F181-N271 VanDerWaalsContact CZ-CG 3.45Å; F181-N271 WeakPolarHBondContact O-CB 3.32Å; F181-N271 PolarHBondContact O-N 3.49Å
182I98.8Very high97.5Very high11 Ų1143.5 Ų43.56%0.05623%0.233CC..EExtended strand (participates in β ladder)trans-76.2115.8175.4-60.2175.9000108.5F19 L22 I67 Y69 V185 I268 A269F19-I182 HydrophobicContact CB-CB 4.13Å; F19-I182 HydrophobicContact CB-CD1 4.17Å; F19-I182 HydrophobicContact CB-CG2 4.4Å; F19-I182 HydrophobicContact CD1-CG2 4.38Å; F19-I182 HydrophobicContact CD2-CB 3.89Å; F19-I182 HydrophobicContact CD2-CG2 3.64Å; F19-I182 WeakPolarHBondContact CD2-O 3.42Å; F19-I182 HydrophobicContact CE2-CG2 3.91Å; F19-I182 HydrophobicContact CG-CB 4.11Å; F19-I182 HydrophobicContact CG-CG2 3.9Å; F19-I182 HydrophobicContact CZ-CG2 4.37Å; L22-I182 HydrophobicContact CD1-CD1 3.37Å; I67-I182 HydrophobicContact CB-CG1 4.35Å; I67-I182 HydrophobicContact CG1-CG1 4.14Å; I67-I182 HydrophobicContact CG2-CD1 4.12Å; I67-I182 HydrophobicContact CG2-CG1 3.79Å; Y69-I182 HydrophobicContact CE1-CD1 4.21Å; I182-V185 HydrophobicContact CG2-CG2 3.73Å; I182-I268 HydrophobicContact CG1-CG2 4.49Å; I182-I268 HydrophobicContact CG2-CG2 4.03Å; I182-A269 CarbonylContact C-O 3.59Å; I182-A269 WeakPolarHBondContact CA-O 3.17Å
183D98.4Very high97.4Very high8 Ų842 Ų424%0.04322%0.216CC..EExtended strand (participates in β ladder)trans-77-48-179.6-172.9-93.5000111.3F181 A269 N271 I352 R354F181-D183 PolarHBondContact O-N 2.98Å; D183-A269 HydrophobicContact CB-CB 4.11Å; D183-A269 PolarHBondContact N-O 2.76Å; D183-N271 HydrophobicContact CB-CB 4.34Å; D183-I352 HydrophobicContact CB-CG2 3.61Å; D183-R354 IonicContact OD1-CZ 2.95Å; D183-R354 IonicContact OD1-NE 3.25Å; D183-R354 PolarHBondContact OD1-NE 3.43Å; D183-R354 IonicContact OD1-NH2 2.69Å; D183-R354 PolarHBondContact OD1-NH2 3.18Å; D183-R354 WeakPolarHBondContact OD2-CD 3.39Å; D183-R354 IonicContact OD2-CZ 2.72Å; D183-R354 IonicContact OD2-NE 3.31Å; D183-R354 PolarHBondContact OD2-NE 3.19Å; D183-R354 IonicContact OD2-NH2 3.54Å
184H98.5Very high97.3Very high5 Ų534.3 Ų34.32%0.02318%0.182CC..EExtended strand (participates in β ladder)trans-161.7163.1177.963.1-94000111.4K238 H267 A269 E350 F360H184-K238 WeakPolarHBondContact CA-O 3.42Å; H184-K238 HydrophobicContact CB-CB 4.14Å; H184-K238 VanDerWaalsContact CB-O 3.25Å; H184-K238 WeakPolarHBondContact CB-O 3.33Å; H184-H267 AromaticContact NE2-NE2 3.63Å; H184-A269 WeakPolarHBondContact CE1-CB 3.5Å; H184-A269 VanDerWaalsContact ND1-CB 3.31Å; H184-A269 WeakPolarHBondContact ND1-CB 3.43Å; H184-A269 PolarHBondContact O-N 2.73Å; H184-E350 IonicContact CE1-OE1 3.82Å; H184-E350 IonicContact CE1-OE2 3.43Å; H184-E350 PolarHBondContact CE1-OE2 3.15Å; H184-E350 IonicContact NE2-OE2 2.76Å; H184-E350 PolarHBondContact NE2-OE2 3.21Å; H184-E350 VanDerWaalsContact NE2-OE2 3.16Å; H184-F360 HydrophobicContact CB-CE1 4Å; H184-F360 HydrophobicContact CB-CZ 4.21Å; H184-F360 AromaticContact CD2-CE1 3.78Å; H184-F360 AromaticContact CE1-CE1 3.83Å; H184-F360 AromaticContact CG-CE1 3.58Å; H184-F360 AromaticContact ND1-CE1 3.61Å; H184-F360 AromaticContact NE2-CE1 3.89Å
185V98.8Very high97.2Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-132.3129.4177.5-178.80000109F19 L22 V96 I182 K238 M239 P240 V265 I268F19-V185 HydrophobicContact CD1-CG2 4.23Å; F19-V185 HydrophobicContact CE1-CB 4.26Å; F19-V185 HydrophobicContact CE1-CG2 3.68Å; F19-V185 HydrophobicContact CZ-CB 4.44Å; F19-V185 HydrophobicContact CZ-CG2 3.96Å; L22-V185 HydrophobicContact CD1-CG2 4.45Å; L22-V185 HydrophobicContact CD2-CG1 4.37Å; L22-V185 HydrophobicContact CD2-CG2 4.04Å; V96-V185 HydrophobicContact CG1-CG2 4.43Å; V96-V185 HydrophobicContact CG2-CG1 4.11Å; I182-V185 HydrophobicContact CG2-CG2 3.73Å; V185-K238 PolarHBondContact N-O 2.99Å; V185-M239 HydrophobicContact CB-CE 3.89Å; V185-M239 HydrophobicContact CB-SD 3.71Å; V185-M239 HydrophobicContact CG1-CE 4.06Å; V185-M239 HydrophobicContact CG2-SD 4.49Å; V185-M239 WeakPolarHBondContact O-CA 3.3Å; V185-M239 WeakPolarHBondContact O-CE 3.44Å; V185-P240 WeakPolarHBondContact O-CD 3.35Å; V185-V265 HydrophobicContact CG1-CB 4.38Å; V185-V265 HydrophobicContact CG1-CG1 3.47Å; V185-V265 VanDerWaalsContact CG1-CG1 3.47Å; V185-V265 HydrophobicContact CG1-CG2 3.97Å; V185-I268 HydrophobicContact CG1-CG1 4.26Å; V185-I268 HydrophobicContact CG2-CG1 4.48Å; V185-I268 HydrophobicContact CG2-CG2 4.24Å
186V98.4Very high97.2Very high2 Ų236.9 Ų36.91%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-105127.3-171.7178.70000111.6P240 N242 V265 Q266 H267V186-P240 CarbonylContact C-O 3.46Å; V186-P240 VanDerWaalsContact CA-O 3.32Å; V186-P240 WeakPolarHBondContact CA-O 3.42Å; V186-P240 HydrophobicContact CB-CB 4.37Å; V186-P240 HydrophobicContact CG1-CB 4.17Å; V186-P240 HydrophobicContact CG2-CB 3.7Å; V186-P240 HydrophobicContact CG2-CG 3.62Å; V186-N242 WeakPolarHBondContact CG1-ND2 3.34Å; V186-V265 CarbonylContact O-C 3.57Å; V186-V265 VanDerWaalsContact O-CA 3.3Å; V186-V265 WeakPolarHBondContact O-CA 3.5Å; V186-Q266 HydrophobicContact CG1-CB 4.47Å; V186-Q266 PolarHBondContact O-N 3.48Å; V186-H267 VanDerWaalsContact CB-CE1 3.48Å; V186-H267 WeakPolarHBondContact CB-CE1 3.12Å; V186-H267 WeakPolarHBondContact CG2-CE1 3.25Å; V186-H267 WeakPolarHBondContact CG2-NE2 3.47Å; V186-H267 PolarHBondContact N-O 2.84Å
187G98.3Very high97.2Very high0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-107.4118.6177.100000112.2Q189 P240 I241 N242 G264G187-Q189 PolarHBondContact O-NE2 2.84Å; G187-P240 PolarHBondContact N-O 3.26Å; G187-I241 WeakPolarHBondContact O-CA 3.25Å; G187-N242 PolarHBondContact O-N 3.46Å; G187-G264 CarbonylContact C-O 3.53Å; G187-G264 WeakPolarHBondContact CA-O 3.43Å
188N98.3Very high97.2Very high0 Ų034.4 Ų34.40%018%0.182CC..EExtended strand (participates in β ladder)trans-87.1137.8172.9-783.4000110.9N242 I253 Y256 P263 G264 Q266N188-N242 WeakPolarHBondContact OD1-CB 3.43Å; N188-N242 PolarHBondContact OD1-ND2 3.04Å; N188-N242 VanDerWaalsContact OD1-ND2 3.15Å; N188-I253 HydrophobicContact CB-CG2 3.98Å; N188-I253 WeakPolarHBondContact OD1-CD1 3.25Å; N188-Y256 HydrophobicContact CB-CD1 3.51Å; N188-Y256 HydrophobicContact CB-CE1 3.85Å; N188-Y256 HydrophobicContact CB-CG 4.04Å; N188-Y256 WeakPolarHBondContact ND2-CB 3.46Å; N188-P263 WeakPolarHBondContact O-CA 3.19Å; N188-P263 WeakPolarHBondContact O-CB 3.43Å; N188-G264 PolarHBondContact N-O 2.86Å; N188-G264 PolarHBondContact O-N 3.05Å; N188-Q266 HydrophobicContact CB-CB 4.4Å; N188-Q266 VanDerWaalsContact ND2-CD 3.32Å; N188-Q266 WeakPolarHBondContact ND2-CG 3.48Å; N188-Q266 PolarHBondContact ND2-NE2 2.98Å
189Q98Very high97.1Very high1 Ų135.3 Ų35.31%0.00519%0.187CC..  trans-118.3162.4-178.8-44.7-52.6-46.900110.6G187 E193 I197 I241 N242 P244 V257G187-Q189 PolarHBondContact O-NE2 2.84Å; Q189-E193 HydrophobicContact CB-CB 3.81Å; Q189-I197 HydrophobicContact CG-CG1 4.37Å; Q189-I241 HydrophobicContact CG-CG2 3.48Å; Q189-I241 VanDerWaalsContact CG-CG2 3.48Å; Q189-N242 WeakPolarHBondContact CB-O 3.48Å; Q189-N242 WeakPolarHBondContact CG-O 3.35Å; Q189-N242 PolarHBondContact N-O 2.78Å; Q189-P244 WeakPolarHBondContact O-CD 3.25Å; Q189-V257 WeakPolarHBondContact O-CG2 3.18Å
190S95.3Very high97Very high28 Ų2836.3 Ų36.320%0.19619%0.19CC..  trans-69173.8170-35.60000110.6D192 E193S190-D192 PolarHBondContact O-N 2.65Å; S190-E193 WeakPolarHBondContact CB-OE2 3.35Å; S190-E193 PolarHBondContact N-OE2 2.97Å; S190-E193 PolarHBondContact O-N 3Å; S190-E193 PolarHBondContact OG-OE2 2.84Å
191D92.3Very high96.9Very high84 Ų8433.3 Ų33.345%0.44917%0.174SC..THydrogen-bonded Turntrans-56.6135.4175.8-162.529.1000111.2E193 P244D191-E193 PolarHBondContact O-N 2.9Å; D191-P244 HydrophobicContact CB-CG 4.01Å
192D92.8Very high96.7Very high112 Ų11233.5 Ų33.560%0.59918%0.176SC*.THydrogen-bonded Turntrans57.118.8-176.2-63.2-34.2000116.3S190 R226 E243S190-D192 PolarHBondContact O-N 2.65Å; D192-R226 IonicContact OD1-NH2 3.16Å; D192-R226 PolarHBondContact OD1-NH2 3.34Å; D192-E243 WeakPolarHBondContact CA-OE2 3.38Å
193E95.6Very high96.4Very high78 Ų7839.1 Ų39.136%0.36420%0.197SC..  trans-101.7-5.9177.6-69.1-173.516000114.5Q189 S190 D191 I197 E243 P263Q189-E193 HydrophobicContact CB-CB 3.81Å; S190-E193 WeakPolarHBondContact CB-OE2 3.35Å; S190-E193 PolarHBondContact N-OE2 2.97Å; S190-E193 PolarHBondContact O-N 3Å; S190-E193 PolarHBondContact OG-OE2 2.84Å; D191-E193 PolarHBondContact O-N 2.9Å; E193-I197 WeakPolarHBondContact O-CG1 3.46Å; E193-I197 PolarHBondContact O-N 2.97Å; E193-E243 PolarHBondContact N-OE2 3.27Å; E193-P263 WeakPolarHBondContact OE2-CG 3.31Å
194M96.6Very high96.2Very high9 Ų938.8 Ų38.84%0.04420%0.195CC..Hα-helixtrans-63.4-49.1179.2178.5-17665.600112.2I197 V198 R226 I228 I241 E243M194-I197 PolarHBondContact O-N 3.06Å; M194-V198 HydrophobicContact CG-CG2 4.19Å; M194-V198 VanDerWaalsContact O-CG2 3.27Å; M194-V198 WeakPolarHBondContact O-CG2 3.48Å; M194-V198 PolarHBondContact O-N 3.37Å; M194-R226 HydrophobicContact CE-CB 3.82Å; M194-R226 HydrophobicContact SD-CB 4.17Å; M194-I228 HydrophobicContact CE-CD1 3.64Å; M194-I228 HydrophobicContact CE-CG1 3.79Å; M194-I228 HydrophobicContact CG-CB 4.5Å; M194-I228 HydrophobicContact SD-CB 4.13Å; M194-I228 HydrophobicContact SD-CD1 4.18Å; M194-I228 HydrophobicContact SD-CG1 3.83Å; M194-I228 PolarHBondContact SD-N 3.06Å; M194-I241 HydrophobicContact CB-CG2 4.41Å; M194-I241 HydrophobicContact CG-CB 4.28Å; M194-I241 HydrophobicContact CG-CG2 3.93Å; M194-I241 WeakPolarHBondContact CG-O 3.31Å; M194-E243 HydrophobicContact CB-CB 3.75Å; M194-E243 HydrophobicContact CB-CG 3.52Å; M194-E243 WeakPolarHBondContact CB-OE2 3.24Å; M194-E243 HydrophobicContact CE-CG 4.14Å; M194-E243 WeakPolarHBondContact CE-OE1 3.22Å; M194-E243 HydrophobicContact CG-CG 4.36Å; M194-E243 PolarHBondContact N-OE2 3.4Å; M194-E243 HydrophobicContact SD-CG 4.05Å
195V96.7Very high96Very high63 Ų6338.6 Ų38.638%0.38219%0.194SC..Hα-helixtrans-64.1-47.8-174.2176.30000111.9I197 V198 E199V195-I197 PolarHBondContact O-N 3.39Å; V195-V198 PolarHBondContact O-N 3.38Å; V195-E199 HydrophobicContact CG1-CG 4.3Å; V195-E199 WeakPolarHBondContact O-CG 3.4Å; V195-E199 PolarHBondContact O-N 3.06Å
196P96.9Very high95.7Very high69 Ų6939.4 Ų39.445%0.44820%0.198SC..Hα-helixtrans-54.2-37.7174.5-28.535.4000113.9W200P196-W200 PolarHBondContact O-N 2.94Å
197I97.4Very high95.6Very high26 Ų2639.6 Ų39.613%0.13320%0.199CC..Hα-helixtrans-75.1-40.1179.5-64.8-54.3000111.8Y140 Q189 E193 M194 V195 E199 W200 Y201 I241Y140-I197 HydrophobicContact CD1-CG2 3.58Å; Y140-I197 HydrophobicContact CE1-CG2 4.41Å; Y140-I197 HydrophobicContact CG-CG2 4.32Å; Q189-I197 HydrophobicContact CG-CG1 4.37Å; E193-I197 WeakPolarHBondContact O-CG1 3.46Å; E193-I197 PolarHBondContact O-N 2.97Å; M194-I197 PolarHBondContact O-N 3.06Å; V195-I197 PolarHBondContact O-N 3.39Å; I197-E199 VanDerWaalsContact C-N 3.3Å; I197-E199 PolarHBondContact O-N 2.93Å; I197-W200 VanDerWaalsContact O-CB 3.29Å; I197-W200 WeakPolarHBondContact O-CB 3.13Å; I197-W200 PolarHBondContact O-N 2.83Å; I197-W200 VanDerWaalsContact O-N 3.15Å; I197-Y201 HydrophobicContact CG2-CD2 4.2Å; I197-Y201 HydrophobicContact CG2-CE2 3.91Å; I197-Y201 VanDerWaalsContact O-CD2 3.23Å; I197-Y201 WeakPolarHBondContact O-CD2 3.4Å; I197-Y201 PolarHBondContact O-N 2.82Å; I197-Y201 VanDerWaalsContact O-N 3.15Å; I197-I241 HydrophobicContact CB-CG2 4.19Å; I197-I241 HydrophobicContact CG2-CD1 4.19Å; I197-I241 HydrophobicContact CG2-CG1 4.32Å; I197-I241 HydrophobicContact CG2-CG2 3.91Å
198V97.1Very high95.5Very high4 Ų439.8 Ų39.82%0.02420%0.2CC..Hα-helixtrans-57.4-47.6171.2167.90000110.4M194 V195 W200 Y201 Q202 I228 V230 I241M194-V198 HydrophobicContact CG-CG2 4.19Å; M194-V198 VanDerWaalsContact O-CG2 3.27Å; M194-V198 WeakPolarHBondContact O-CG2 3.48Å; M194-V198 PolarHBondContact O-N 3.37Å; V195-V198 PolarHBondContact O-N 3.38Å; V198-W200 VanDerWaalsContact C-N 3.27Å; V198-W200 PolarHBondContact O-N 2.89Å; V198-Y201 PolarHBondContact O-N 2.75Å; V198-Y201 VanDerWaalsContact O-N 3.14Å; V198-Q202 HydrophobicContact CG1-CG 4.47Å; V198-Q202 WeakPolarHBondContact O-CG 3.27Å; V198-Q202 PolarHBondContact O-N 3.1Å; V198-I228 HydrophobicContact CB-CG2 4.39Å; V198-I228 HydrophobicContact CG1-CG2 3.8Å; V198-I228 HydrophobicContact CG2-CB 3.64Å; V198-I228 HydrophobicContact CG2-CD1 4.13Å; V198-I228 HydrophobicContact CG2-CG1 4.46Å; V198-I228 HydrophobicContact CG2-CG2 3.62Å; V198-V230 HydrophobicContact CB-CG1 4.29Å; V198-V230 HydrophobicContact CG1-CG1 3.84Å; V198-V230 HydrophobicContact CG2-CG1 4.25Å; V198-I241 HydrophobicContact CG2-CB 4.12Å; V198-I241 HydrophobicContact CG2-CG1 4.28Å; V198-I241 HydrophobicContact CG2-CG2 4.45Å
199E96Very high95.3Very high98 Ų9843.5 Ų43.546%0.45821%0.214SC..Hα-helixtrans-61.9-35.1176.7-71.8179.7173.800112.1V195 I197 Y201 Q202 R203V195-E199 HydrophobicContact CG1-CG 4.3Å; V195-E199 WeakPolarHBondContact O-CG 3.4Å; V195-E199 PolarHBondContact O-N 3.06Å; I197-E199 VanDerWaalsContact C-N 3.3Å; I197-E199 PolarHBondContact O-N 2.93Å; E199-Y201 PolarHBondContact O-N 2.7Å; E199-Q202 PolarHBondContact O-N 3.14Å; E199-R203 WeakPolarHBondContact O-CB 3.43Å; E199-R203 PolarHBondContact O-N 2.87Å
200W96.2Very high95Very high28 Ų2844.1 Ų44.111%0.10622%0.217CC..Hα-helixtrans-57.8-47172.8-177.9103.4000111.4A116 Q138 H145 P196 I197 V198 N204 L205A116-W200 HydrophobicContact CB-CZ2 4.31Å; Q138-W200 WeakPolarHBondContact O-CZ2 3.48Å; Q138-W200 PolarHBondContact O-NE1 2.92Å; H145-W200 AromaticContact CD2-CH2 3.9Å; H145-W200 AromaticContact CD2-CZ3 3.95Å; P196-W200 PolarHBondContact O-N 2.94Å; I197-W200 VanDerWaalsContact O-CB 3.29Å; I197-W200 WeakPolarHBondContact O-CB 3.13Å; I197-W200 PolarHBondContact O-N 2.83Å; I197-W200 VanDerWaalsContact O-N 3.15Å; V198-W200 VanDerWaalsContact C-N 3.27Å; V198-W200 PolarHBondContact O-N 2.89Å; W200-N204 VanDerWaalsContact CE2-ND2 3.34Å; W200-N204 VanDerWaalsContact CG-ND2 3.26Å; W200-N204 PolarHBondContact NE1-ND2 2.86Å; W200-N204 WeakPolarHBondContact O-CB 3.15Å; W200-N204 VanDerWaalsContact O-CG 3.27Å; W200-N204 PolarHBondContact O-N 2.69Å; W200-N204 PolarHBondContact O-ND2 3.36Å; W200-N204 VanDerWaalsContact O-ND2 3.16Å; W200-L205 HydrophobicContact CH2-CD1 4.07Å; W200-L205 HydrophobicContact CH2-CD2 4.28Å; W200-L205 HydrophobicContact CH2-CG 4.18Å; W200-L205 HydrophobicContact CZ3-CD1 3.78Å; W200-L205 HydrophobicContact CZ3-CG 3.97Å
201Y96.6Very high94.7Very high0 Ų043 Ų430%021%0.208CC..Hα-helixtrans-65.2-44.1176.9-79-80.6000112.2Y140 H145 I197 V198 E199 L205 L206 F207 V230 I241Y140-Y201 HydrophobicContact CD1-CE2 4.28Å; Y140-Y201 HydrophobicContact CE1-CE2 4.08Å; Y140-Y201 WeakPolarHBondContact CE1-OH 3.34Å; H145-Y201 PolarHBondContact CE1-OH 3.39Å; H145-Y201 AromaticContact NE2-CE1 3.38Å; H145-Y201 WeakPolarHBondContact NE2-CE1 2.91Å; H145-Y201 AromaticContact NE2-CZ 3.39Å; H145-Y201 PolarHBondContact NE2-OH 2.96Å; I197-Y201 HydrophobicContact CG2-CD2 4.2Å; I197-Y201 HydrophobicContact CG2-CE2 3.91Å; I197-Y201 VanDerWaalsContact O-CD2 3.23Å; I197-Y201 WeakPolarHBondContact O-CD2 3.4Å; I197-Y201 PolarHBondContact O-N 2.82Å; I197-Y201 VanDerWaalsContact O-N 3.15Å; V198-Y201 PolarHBondContact O-N 2.75Å; V198-Y201 VanDerWaalsContact O-N 3.14Å; E199-Y201 PolarHBondContact O-N 2.7Å; Y201-L205 HydrophobicContact CD1-CD1 3.91Å; Y201-L205 HydrophobicContact CE1-CD1 4.2Å; Y201-L205 CarbonylContact O-C 3.42Å; Y201-L205 WeakPolarHBondContact O-CA 2.94Å; Y201-L205 WeakPolarHBondContact O-CB 3.35Å; Y201-L205 PolarHBondContact O-N 3.21Å; Y201-L206 PolarHBondContact O-N 3.43Å; Y201-F207 HydrophobicContact CD1-CD2 4.1Å; Y201-F207 HydrophobicContact CD1-CE2 4.41Å; Y201-F207 PolarHBondContact O-N 2.85Å; Y201-V230 HydrophobicContact CD1-CG2 4.09Å; Y201-V230 HydrophobicContact CD2-CG2 3.81Å; Y201-V230 HydrophobicContact CE2-CG2 4.36Å; Y201-V230 HydrophobicContact CG-CG2 3.68Å; Y201-I241 HydrophobicContact CE2-CD1 3.86Å; Y201-I241 HydrophobicContact CE2-CG1 4.43Å
202Q94.3Very high94.5Very high77 Ų7739.3 Ų39.336%0.3619%0.189SC..Hα-helixtrans-65-46.3-179.7-65.1-175.1-82.900111.9V198 E199 L206 F207V198-Q202 HydrophobicContact CG1-CG 4.47Å; V198-Q202 WeakPolarHBondContact O-CG 3.27Å; V198-Q202 PolarHBondContact O-N 3.1Å; E199-Q202 PolarHBondContact O-N 3.14Å; Q202-L206 VanDerWaalsContact O-CA 3.3Å; Q202-L206 WeakPolarHBondContact O-CA 3.44Å; Q202-L206 PolarHBondContact O-N 3Å; Q202-F207 VanDerWaalsContact CA-O 3.28Å; Q202-F207 WeakPolarHBondContact CA-O 3.47Å; Q202-F207 WeakPolarHBondContact CG-O 3.5Å
203R92.5Very high94Very high129 Ų12934.3 Ų34.349%0.48716%0.162SC..Hα-helixtrans-70.4-51.8-177.4-175.9173.273-152.91.2111.2R114 E199R114-R203 HydrophobicContact CB-CG 3.92Å; R114-R203 WeakPolarHBondContact CD-O 3.31Å; R114-R203 PolarHBondContact NH1-O 2.95Å; R114-R203 PolarHBondContact O-NE 2.84Å; E199-R203 WeakPolarHBondContact O-CB 3.43Å; E199-R203 PolarHBondContact O-N 2.87Å
204N93.3Very high93.4Very high1 Ų133.4 Ų33.41%0.00516%0.16CC..Hα-helixtrans-87.3-33.9-166.7-56.4-30.2000112.8K110 R114 A116 W200K110-N204 CarbonylContact C-O 3.59Å; R114-N204 PolarHBondContact O-OD1 3.07Å; A116-N204 HydrophobicContact CB-CB 4.02Å; W200-N204 VanDerWaalsContact CE2-ND2 3.34Å; W200-N204 VanDerWaalsContact CG-ND2 3.26Å; W200-N204 PolarHBondContact NE1-ND2 2.86Å; W200-N204 WeakPolarHBondContact O-CB 3.15Å; W200-N204 VanDerWaalsContact O-CG 3.27Å; W200-N204 PolarHBondContact O-N 2.69Å; W200-N204 PolarHBondContact O-ND2 3.36Å; W200-N204 VanDerWaalsContact O-ND2 3.16Å
205L94.3Very high92.4Very high2 Ų235.4 Ų35.41%0.0117%0.171CC..Hα-helixtrans-110.6-2.5-175.2-51.1-165.4000113.5H11 F16 L137 F147 W200 Y201 F207H11-L205 PolarHBondContact CE1-O 3.33Å; H11-L205 PolarHBondContact NE2-O 2.88Å; F16-L205 HydrophobicContact CE1-CD1 4.39Å; F16-L205 HydrophobicContact CE2-CB 4.29Å; F16-L205 HydrophobicContact CZ-CB 4.08Å; F16-L205 HydrophobicContact CZ-CD1 4.21Å; F16-L205 HydrophobicContact CZ-CD2 4.19Å; F16-L205 HydrophobicContact CZ-CG 4.39Å; L137-L205 HydrophobicContact CD2-CD2 4.2Å; F147-L205 HydrophobicContact CZ-CD2 3.71Å; W200-L205 HydrophobicContact CH2-CD1 4.07Å; W200-L205 HydrophobicContact CH2-CD2 4.28Å; W200-L205 HydrophobicContact CH2-CG 4.18Å; W200-L205 HydrophobicContact CZ3-CD1 3.78Å; W200-L205 HydrophobicContact CZ3-CG 3.97Å; Y201-L205 HydrophobicContact CD1-CD1 3.91Å; Y201-L205 HydrophobicContact CE1-CD1 4.2Å; Y201-L205 CarbonylContact O-C 3.42Å; Y201-L205 WeakPolarHBondContact O-CA 2.94Å; Y201-L205 WeakPolarHBondContact O-CB 3.35Å; Y201-L205 PolarHBondContact O-N 3.21Å; L205-F207 HydrophobicContact CB-CD1 3.66Å; L205-F207 HydrophobicContact CB-CE1 3.91Å; L205-F207 HydrophobicContact CB-CG 4.38Å; L205-F207 HydrophobicContact CD1-CE1 4.36Å; L205-F207 WeakPolarHBondContact O-CD1 3.31Å; L205-F207 PolarHBondContact O-N 3.36Å
206L93.7Very high91.5Very high16 Ų1640.4 Ų40.48%0.08419%0.188CC..  trans52.737.6-171.8-67.1179000112.8E9 K110 Y201 Q202E9-L206 HydrophobicContact CB-CD1 4.36Å; E9-L206 HydrophobicContact CB-CD2 4.12Å; E9-L206 HydrophobicContact CG-CD1 4.04Å; K110-L206 HydrophobicContact CD-CD1 4.28Å; Y201-L206 PolarHBondContact O-N 3.43Å; Q202-L206 VanDerWaalsContact O-CA 3.3Å; Q202-L206 WeakPolarHBondContact O-CA 3.44Å; Q202-L206 PolarHBondContact O-N 3Å
207F95.9Very high90.2Very high6 Ų641.6 Ų41.63%0.02619%0.187CC..  trans-75.9157.4166.9-80.833000108.8F16 Y201 Q202 L205 V230 A231 N232 V237F16-F207 HydrophobicContact CB-CE1 4.48Å; F16-F207 HydrophobicContact CD1-CE1 4.12Å; F16-F207 HydrophobicContact CD1-CZ 4.22Å; F16-F207 AromaticContact CD2-CE1 3.69Å; F16-F207 HydrophobicContact CD2-CE1 3.69Å; F16-F207 HydrophobicContact CD2-CZ 4.5Å; F16-F207 HydrophobicContact CE1-CE1 4.28Å; F16-F207 AromaticContact CE2-CE1 3.86Å; F16-F207 HydrophobicContact CE2-CE1 3.86Å; F16-F207 AromaticContact CG-CE1 3.84Å; F16-F207 HydrophobicContact CG-CE1 3.84Å; F16-F207 HydrophobicContact CG-CZ 4.2Å; F16-F207 HydrophobicContact CZ-CE1 4.16Å; Y201-F207 HydrophobicContact CD1-CD2 4.1Å; Y201-F207 HydrophobicContact CD1-CE2 4.41Å; Y201-F207 PolarHBondContact O-N 2.85Å; Q202-F207 VanDerWaalsContact CA-O 3.28Å; Q202-F207 WeakPolarHBondContact CA-O 3.47Å; Q202-F207 WeakPolarHBondContact CG-O 3.5Å; L205-F207 HydrophobicContact CB-CD1 3.66Å; L205-F207 HydrophobicContact CB-CE1 3.91Å; L205-F207 HydrophobicContact CB-CG 4.38Å; L205-F207 HydrophobicContact CD1-CE1 4.36Å; L205-F207 WeakPolarHBondContact O-CD1 3.31Å; L205-F207 PolarHBondContact O-N 3.36Å; F207-V230 HydrophobicContact CB-CB 4.3Å; F207-V230 HydrophobicContact CD2-CB 4.39Å; F207-V230 HydrophobicContact CD2-CG2 4.19Å; F207-A231 CarbonylContact C-O 3.48Å; F207-A231 WeakPolarHBondContact CA-O 3.05Å; F207-A231 WeakPolarHBondContact CB-O 3.43Å; F207-A231 WeakPolarHBondContact CG-O 3.44Å; F207-N232 HydrophobicContact CD1-CB 4.05Å; F207-N232 HydrophobicContact CE1-CB 3.63Å; F207-N232 HydrophobicContact CE2-CB 4.27Å; F207-N232 HydrophobicContact CZ-CB 3.75Å; F207-V237 HydrophobicContact CE2-CB 4.39Å; F207-V237 HydrophobicContact CE2-CG1 3.88Å; F207-V237 HydrophobicContact CZ-CB 4.4Å; F207-V237 HydrophobicContact CZ-CG1 4.1Å
208H95.1Very high88.8Confident5 Ų540.6 Ų40.62%0.02318%0.182CC..EExtended strand (participates in β ladder)trans-114.8156.2174.863.5-80.2000111K7 F210 V230 A231 N232 E235K7-H208 WeakPolarHBondContact O-CB 3.28Å; H208-F210 PolarHBondContact O-N 2.87Å; H208-V230 CarbonylContact O-C 3.6Å; H208-V230 VanDerWaalsContact O-CA 3.3Å; H208-V230 WeakPolarHBondContact O-CA 3.45Å; H208-A231 PolarHBondContact N-O 2.9Å; H208-A231 PolarHBondContact ND1-O 2.72Å; H208-A231 PolarHBondContact O-N 3.37Å; H208-N232 PolarHBondContact CE1-O 2.79Å; H208-E235 IonicContact CE1-OE1 3.65Å; H208-E235 IonicContact NE2-OE1 3.56Å; H208-E235 PolarHBondContact NE2-OE1 3.2Å
209R95.1Very high87.7Confident78 Ų7845.3 Ų45.329%0.29420%0.204SC..EExtended strand (participates in β ladder)trans-65.7115.9167.3-176.9170.3-177.6167.3-2.2107.4Y4 S212 I228Y4-R209 WeakPolarHBondContact CB-O 3.47Å; Y4-R209 HydrophobicContact CD1-CG 4.37Å; Y4-R209 HydrophobicContact CD2-CB 4.47Å; Y4-R209 HydrophobicContact CD2-CG 3.62Å; Y4-R209 HydrophobicContact CE1-CG 4.41Å; Y4-R209 HydrophobicContact CE2-CG 3.69Å; Y4-R209 HydrophobicContact CG-CB 4.43Å; Y4-R209 HydrophobicContact CG-CG 4.01Å; Y4-R209 PolarHBondContact OH-NE 3.25Å; Y4-R209 VanDerWaalsContact OH-NE 3.08Å; Y4-R209 PolarHBondContact OH-NH2 2.66Å; R209-S212 PolarHBondContact NE-OG 3.35Å; R209-S212 PolarHBondContact NH2-OG 2.98Å; R209-I228 HydrophobicContact CG-CG2 3.81Å
210F91.7Very high86.7Confident13 Ų1341.2 Ų41.26%0.05719%0.186CC..EExtended strand (participates in β ladder)trans-91.2-44.6179.7176.1-103.9000110.8Y4 H208 V229 A231 E235 K238 Q358 F360Y4-F210 PolarHBondContact N-O 2.66Å; H208-F210 PolarHBondContact O-N 2.87Å; F210-V229 HydrophobicContact CB-CB 4.45Å; F210-V229 HydrophobicContact CB-CG1 4.26Å; F210-V229 HydrophobicContact CD1-CB 4.49Å; F210-V229 HydrophobicContact CD1-CG1 4.15Å; F210-V229 PolarHBondContact N-O 3.34Å; F210-A231 HydrophobicContact CB-CB 3.84Å; F210-A231 HydrophobicContact CD2-CB 4.44Å; F210-A231 HydrophobicContact CG-CB 4.28Å; F210-E235 HydrophobicContact CD2-CG 3.95Å; F210-E235 VanDerWaalsContact CD2-OE1 3.28Å; F210-E235 WeakPolarHBondContact CD2-OE1 3.26Å; F210-E235 HydrophobicContact CE2-CB 4.44Å; F210-E235 VanDerWaalsContact CE2-CD 3.5Å; F210-E235 HydrophobicContact CE2-CG 4.11Å; F210-E235 WeakPolarHBondContact CE2-OE1 3.29Å; F210-K238 HydrophobicContact CD1-CD 4.47Å; F210-K238 HydrophobicContact CE1-CD 4.22Å; F210-Q358 WeakPolarHBondContact CE1-O 3.5Å; F210-Q358 WeakPolarHBondContact CZ-O 3.42Å; F210-F360 HydrophobicContact CD1-CD2 4.28Å; F210-F360 AromaticContact CD1-CE2 3.83Å; F210-F360 HydrophobicContact CD1-CE2 3.83Å; F210-F360 HydrophobicContact CE1-CD2 4.11Å; F210-F360 AromaticContact CE1-CE2 3.77Å; F210-F360 HydrophobicContact CE1-CE2 3.77Å
211W89.2Confident85.6Confident5 Ų546 Ų462%0.01921%0.209CC..EExtended strand (participates in β ladder)trans-152.4156.4-174.8-171.791.6000110.8T2 V213 V229 F360 A362 F365T2-W211 CarbonylContact O-C 3.56Å; T2-W211 WeakPolarHBondContact O-CA 3.32Å; W211-V213 HydrophobicContact CE3-CG1 4.47Å; W211-V213 HydrophobicContact CE3-CG2 4.33Å; W211-V213 HydrophobicContact CH2-CB 3.87Å; W211-V213 HydrophobicContact CH2-CG1 3.11Å; W211-V213 HydrophobicContact CH2-CG2 3.46Å; W211-V213 VanDerWaalsContact CH2-CG2 3.46Å; W211-V213 HydrophobicContact CZ2-CG1 3.38Å; W211-V213 HydrophobicContact CZ3-CB 4.07Å; W211-V213 HydrophobicContact CZ3-CG1 3.73Å; W211-V213 HydrophobicContact CZ3-CG2 3.33Å; W211-V229 HydrophobicContact CB-CB 4.1Å; W211-V229 HydrophobicContact CB-CG2 4.11Å; W211-V229 HydrophobicContact CE3-CG2 3.85Å; W211-V229 PolarHBondContact N-O 2.88Å; W211-V229 PolarHBondContact O-N 3.19Å; W211-F360 HydrophobicContact CB-CD2 4.48Å; W211-F360 HydrophobicContact CD2-CB 4.48Å; W211-F360 HydrophobicContact CE3-CB 4.42Å; W211-F360 HydrophobicContact CZ3-CB 4.42Å; W211-A362 HydrophobicContact CZ2-CB 3.95Å; W211-F365 AromaticContact CH2-CD2 3.52Å; W211-F365 HydrophobicContact CH2-CD2 3.52Å; W211-F365 AromaticContact CH2-CE2 3.26Å; W211-F365 HydrophobicContact CH2-CE2 3.26Å; W211-F365 HydrophobicContact CH2-CZ 4.2Å; W211-F365 HydrophobicContact CZ2-CD2 4.27Å; W211-F365 HydrophobicContact CZ2-CE2 4.11Å; W211-F365 HydrophobicContact CZ3-CD2 4.26Å; W211-F365 AromaticContact CZ3-CE2 3.6Å; W211-F365 HydrophobicContact CZ3-CE2 3.6Å; W211-F365 HydrophobicContact CZ3-CZ 4.13Å
212S86.7Confident84.1Confident7 Ų749 Ų495%0.04922%0.222CC..EExtended strand (participates in β ladder)trans-160.3160.6170.765.40000113.3T2 Y4 R209 S227T2-S212 WeakPolarHBondContact CA-O 3.36Å; T2-S212 WeakPolarHBondContact CB-O 3.34Å; T2-S212 PolarHBondContact O-N 3.12Å; Y4-S212 VanDerWaalsContact CE2-OG 3.28Å; Y4-S212 WeakPolarHBondContact CE2-OG 3.48Å; Y4-S212 PolarHBondContact OH-OG 3.48Å; Y4-S212 VanDerWaalsContact OH-OG 3.13Å; R209-S212 PolarHBondContact NE-OG 3.35Å; R209-S212 PolarHBondContact NH2-OG 2.98Å; S212-S227 CarbonylContact C-O 3.57Å; S212-S227 WeakPolarHBondContact CA-O 3.48Å; S212-S227 WeakPolarHBondContact CB-O 3.31Å
213V83.4Confident83.4Confident6 Ų645.3 Ų45.34%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-144.3145.2174-79.30000109.9T2 W211 Q217 L218 S227 A362T2-V213 HydrophobicContact CG2-CG1 4.05Å; W211-V213 HydrophobicContact CE3-CG1 4.47Å; W211-V213 HydrophobicContact CE3-CG2 4.33Å; W211-V213 HydrophobicContact CH2-CB 3.87Å; W211-V213 HydrophobicContact CH2-CG1 3.11Å; W211-V213 HydrophobicContact CH2-CG2 3.46Å; W211-V213 VanDerWaalsContact CH2-CG2 3.46Å; W211-V213 HydrophobicContact CZ2-CG1 3.38Å; W211-V213 HydrophobicContact CZ3-CB 4.07Å; W211-V213 HydrophobicContact CZ3-CG1 3.73Å; W211-V213 HydrophobicContact CZ3-CG2 3.33Å; V213-Q217 HydrophobicContact CB-CB 4.38Å; V213-Q217 HydrophobicContact CG1-CB 4.3Å; V213-L218 HydrophobicContact CB-CD1 4.07Å; V213-L218 HydrophobicContact CB-CG 3.88Å; V213-L218 HydrophobicContact CG1-CG 4.35Å; V213-L218 HydrophobicContact CG2-CD1 3.28Å; V213-L218 HydrophobicContact CG2-CG 3.69Å; V213-S227 PolarHBondContact N-O 3.12Å; V213-S227 PolarHBondContact O-N 3.46Å; V213-A362 HydrophobicContact CG1-CB 4.47Å
214D82.4Confident82.9Confident60 Ų6039.2 Ų39.232%0.32118%0.183SC..  trans-102.7177.3172.466.522000111.3K216 Q217 L218D214-K216 PolarHBondContact O-N 3.43Å; D214-K216 WeakPolarHBondContact OD1-CB 3.49Å; D214-K216 PolarHBondContact OD1-N 3.42Å; D214-Q217 PolarHBondContact O-N 2.9Å; D214-Q217 VanDerWaalsContact O-N 3.08Å; D214-Q217 WeakPolarHBondContact OD1-CG 3.17Å; D214-Q217 PolarHBondContact OD1-N 3.11Å; D214-Q217 VanDerWaalsContact OD1-N 3.08Å; D214-L218 PolarHBondContact O-N 3.14Å
215D76.6Confident82.5Confident50 Ų5039.5 Ų39.527%0.26718%0.184SC..THydrogen-bonded Turntrans-65.7-22.2-179.956.3-52000113.3Q217 L218 Q219 A224 R226 A245D215-Q217 VanDerWaalsContact C-N 3.29Å; D215-L218 CarbonylContact O-C 3.41Å; D215-Q219 WeakPolarHBondContact O-CB 3.29Å; D215-Q219 WeakPolarHBondContact O-CG 3.35Å; D215-A224 HydrophobicContact CB-CB 4.08Å; D215-R226 HydrophobicContact CB-CG 4.35Å; D215-A245 HydrophobicContact CB-CB 3.74Å
216K76.2Confident82.3Confident168 Ų16842.5 Ų42.573%0.7320%0.195SC*.THydrogen-bonded Turntrans-71.7-31.3173.3-60.9176.7-179.9172.10111.2D214D214-K216 PolarHBondContact O-N 3.43Å; D214-K216 WeakPolarHBondContact OD1-CB 3.49Å; D214-K216 PolarHBondContact OD1-N 3.42Å
217Q69.9Low82.2Confident95 Ų9541.8 Ų41.844%0.44419%0.191SC..THydrogen-bonded Turntrans-87.7-36.4177.8-61.1-174.9-67.300111.9T2 V213 D214 D215T2-Q217 VanDerWaalsContact CG2-NE2 3.34Å; V213-Q217 HydrophobicContact CB-CB 4.38Å; V213-Q217 HydrophobicContact CG1-CB 4.3Å; D214-Q217 PolarHBondContact O-N 2.9Å; D214-Q217 VanDerWaalsContact O-N 3.08Å; D214-Q217 WeakPolarHBondContact OD1-CG 3.17Å; D214-Q217 PolarHBondContact OD1-N 3.11Å; D214-Q217 VanDerWaalsContact OD1-N 3.08Å; D215-Q217 VanDerWaalsContact C-N 3.29Å
218L69.3Low82.2Confident5 Ų541.9 Ų41.93%0.02619%0.192CC..SBendtrans-118.286.9-178.9-68.4-161.7000113V213 D214 D215 A224 L225 F365V213-L218 HydrophobicContact CB-CD1 4.07Å; V213-L218 HydrophobicContact CB-CG 3.88Å; V213-L218 HydrophobicContact CG1-CG 4.35Å; V213-L218 HydrophobicContact CG2-CD1 3.28Å; V213-L218 HydrophobicContact CG2-CG 3.69Å; D214-L218 PolarHBondContact O-N 3.14Å; D215-L218 CarbonylContact O-C 3.41Å; L218-A224 WeakPolarHBondContact O-CA 3.38Å; L218-A224 WeakPolarHBondContact O-CB 3.15Å; L218-L225 HydrophobicContact CB-CD1 4.36Å; L218-L225 HydrophobicContact CD1-CD1 3.64Å; L218-L225 HydrophobicContact CD1-CG 4.47Å; L218-L225 PolarHBondContact O-N 2.99Å; L218-F365 HydrophobicContact CD1-CB 3.76Å; L218-F365 HydrophobicContact CD1-CD1 3.92Å; L218-F365 HydrophobicContact CD1-CD2 4.39Å; L218-F365 HydrophobicContact CD1-CG 3.81Å; L218-F365 HydrophobicContact CD2-CB 3.28Å; L218-F365 HydrophobicContact CD2-CG 4.16Å; L218-F365 HydrophobicContact CG-CB 4.2Å
219Q73.6Confident82.2Confident103 Ų10341.7 Ų41.748%0.48119%0.191SC..BIsolated β-bridgetrans-144.1144.317157.1-178.7-8.500110.8D215 S223 A224D215-Q219 WeakPolarHBondContact O-CB 3.29Å; D215-Q219 WeakPolarHBondContact O-CG 3.35Å; Q219-S223 CarbonylContact C-O 3.53Å; Q219-S223 WeakPolarHBondContact CA-O 3.44Å; Q219-A224 HydrophobicContact CB-CB 3.84Å
220T74.9Confident82.3Confident12 Ų1238 Ų387%0.07418%0.177CC..  trans-87.9-172.5159.664.60000109.5F222 S223 F369 E370 E373T220-F222 PolarHBondContact O-N 2.8Å; T220-F222 PolarHBondContact OG1-N 2.81Å; T220-S223 PolarHBondContact N-O 3Å; T220-S223 PolarHBondContact OG1-N 3.1Å; T220-S223 PolarHBondContact OG1-O 2.87Å; T220-F369 HydrophobicContact CG2-CD1 3.22Å; T220-F369 HydrophobicContact CG2-CE1 3.6Å; T220-F369 HydrophobicContact CG2-CG 4.22Å; T220-E370 HydrophobicContact CG2-CG 3.65Å; T220-E373 WeakPolarHBondContact CB-OE2 3.43Å; T220-E373 VanDerWaalsContact OG1-CD 3.28Å; T220-E373 PolarHBondContact OG1-OE1 3.02Å; T220-E373 PolarHBondContact OG1-OE2 3.32Å
221E72.9Confident82.6Confident128 Ų12837.3 Ų37.360%0.59817%0.174SC*.SBendtrans-60.5-24.7167.4-163.7-168.515300112.1K248E221-K248 WeakPolarHBondContact O-CD 3.49Å; E221-K248 IonicContact OE1-NZ 2.72Å; E221-K248 PolarHBondContact OE1-NZ 2.66Å
222F66Low83Confident62 Ų6237.2 Ų37.227%0.27217%0.174SC..SBendtrans-113.4-43-166.1-57.8-60.7000113.9T220 G247 K248 R249 E373T220-F222 PolarHBondContact O-N 2.8Å; T220-F222 PolarHBondContact OG1-N 2.81Å; F222-G247 CarbonylContact O-C 3.59Å; F222-K248 CarbonylContact O-C 3.55Å; F222-K248 WeakPolarHBondContact O-CA 3.38Å; F222-K248 PolarHBondContact O-N 3.08Å; F222-R249 HydrophobicContact CB-CB 4.07Å; F222-R249 HydrophobicContact CB-CG 3.88Å; F222-R249 HydrophobicContact CD1-CG 4.21Å; F222-R249 HydrophobicContact CG-CG 4.36Å; F222-R249 PolarHBondContact O-N 2.87Å; F222-E373 WeakPolarHBondContact CB-OE1 3.39Å
223S78.3Confident83.4Confident1 Ų140.4 Ų40.41%0.00719%0.186CC..  trans-141.8166.8-175.4690000113Q219 T220 R249 F369 E373Q219-S223 CarbonylContact C-O 3.53Å; Q219-S223 WeakPolarHBondContact CA-O 3.44Å; T220-S223 PolarHBondContact N-O 3Å; T220-S223 PolarHBondContact OG1-N 3.1Å; T220-S223 PolarHBondContact OG1-O 2.87Å; S223-R249 WeakPolarHBondContact CB-O 3.34Å; S223-F369 WeakPolarHBondContact OG-CE1 3.17Å; S223-F369 WeakPolarHBondContact OG-CZ 3.13Å; S223-E373 PolarHBondContact N-OE1 2.73Å; S223-E373 PolarHBondContact OG-OE1 3.13Å
224A82.7Confident84Confident1 Ų143.8 Ų43.81%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-144.2165.9-173.300000111.4D215 L218 Q219 A245 S251D215-A224 HydrophobicContact CB-CB 4.08Å; L218-A224 WeakPolarHBondContact O-CA 3.38Å; L218-A224 WeakPolarHBondContact O-CB 3.15Å; Q219-A224 HydrophobicContact CB-CB 3.84Å; A224-A245 HydrophobicContact CB-CB 3.85Å; A224-A245 PolarHBondContact O-N 3.17Å; A224-S251 VanDerWaalsContact O-CB 3.31Å; A224-S251 WeakPolarHBondContact O-CB 3.43Å; A224-S251 PolarHBondContact O-OG 3.16Å
225L85.3Confident84.6Confident7 Ų743 Ų434%0.03720%0.195CC..EExtended strand (participates in β ladder)trans-145.9164169.464.477.5000110.8L218 I253 F369L218-L225 HydrophobicContact CB-CD1 4.36Å; L218-L225 HydrophobicContact CD1-CD1 3.64Å; L218-L225 HydrophobicContact CD1-CG 4.47Å; L218-L225 PolarHBondContact O-N 2.99Å; L225-I253 HydrophobicContact CB-CG1 3.83Å; L225-I253 HydrophobicContact CD2-CD1 3.88Å; L225-I253 HydrophobicContact CD2-CG1 3.98Å; L225-F369 HydrophobicContact CB-CE2 4.29Å; L225-F369 HydrophobicContact CD2-CD2 3.72Å; L225-F369 HydrophobicContact CD2-CE2 3.67Å; L225-F369 HydrophobicContact CG-CD2 4.14Å; L225-F369 HydrophobicContact CG-CE2 3.9Å
226R89.8Confident85.6Confident65 Ų6543.8 Ų43.825%0.24520%0.202CC..EExtended strand (participates in β ladder)trans-114.6145.7165.4-62.8-178-66-125.74.6108.5D192 M194 D215 N242 E243 A245D192-R226 IonicContact OD1-NH2 3.16Å; D192-R226 PolarHBondContact OD1-NH2 3.34Å; M194-R226 HydrophobicContact CE-CB 3.82Å; M194-R226 HydrophobicContact SD-CB 4.17Å; D215-R226 HydrophobicContact CB-CG 4.35Å; R226-N242 WeakPolarHBondContact O-CA 3.32Å; R226-E243 HydrophobicContact CB-CG 4.01Å; R226-E243 IonicContact CZ-OE1 2.7Å; R226-E243 PolarHBondContact N-O 2.93Å; R226-E243 VanDerWaalsContact N-O 3.13Å; R226-E243 IonicContact NE-OE1 2.75Å; R226-E243 PolarHBondContact NE-OE1 2.74Å; R226-E243 IonicContact NH2-OE1 3.4Å; R226-E243 PolarHBondContact NH2-OE1 3.05Å; R226-E243 PolarHBondContact O-N 3.47Å; R226-E243 VanDerWaalsContact O-N 3.09Å; R226-A245 HydrophobicContact CG-CB 4.18Å
227S92.1Very high86.6Confident0 Ų035.8 Ų35.80%017%0.167CC..EExtended strand (participates in β ladder)trans-142.2134.5-179.8-171.80000111.4S212 V213 I241 N242S212-S227 CarbonylContact C-O 3.57Å; S212-S227 WeakPolarHBondContact CA-O 3.48Å; S212-S227 WeakPolarHBondContact CB-O 3.31Å; V213-S227 PolarHBondContact N-O 3.12Å; V213-S227 PolarHBondContact O-N 3.46Å; S227-I241 WeakPolarHBondContact CA-O 3.3Å; S227-N242 WeakPolarHBondContact CB-OD1 3.21Å; S227-N242 PolarHBondContact OG-OD1 3.32Å
228I95.1Very high87.9Confident9 Ų931.9 Ų31.95%0.04615%0.149CC..EExtended strand (participates in β ladder)trans-125.1124.7169.5-65173.6000108.3M194 V198 R209 I241M194-I228 HydrophobicContact CE-CD1 3.64Å; M194-I228 HydrophobicContact CE-CG1 3.79Å; M194-I228 HydrophobicContact CG-CB 4.5Å; M194-I228 HydrophobicContact SD-CB 4.13Å; M194-I228 HydrophobicContact SD-CD1 4.18Å; M194-I228 HydrophobicContact SD-CG1 3.83Å; M194-I228 PolarHBondContact SD-N 3.06Å; V198-I228 HydrophobicContact CB-CG2 4.39Å; V198-I228 HydrophobicContact CG1-CG2 3.8Å; V198-I228 HydrophobicContact CG2-CB 3.64Å; V198-I228 HydrophobicContact CG2-CD1 4.13Å; V198-I228 HydrophobicContact CG2-CG1 4.46Å; V198-I228 HydrophobicContact CG2-CG2 3.62Å; R209-I228 HydrophobicContact CG-CG2 3.81Å; I228-I241 PolarHBondContact N-O 3.5Å; I228-I241 PolarHBondContact O-N 2.89Å
229V95.9Very high89.3Confident0 Ų031.7 Ų31.70%015%0.148CC..EExtended strand (participates in β ladder)trans-92.2121.7173.6-1740000109F210 W211 K238 P240 F360F210-V229 HydrophobicContact CB-CB 4.45Å; F210-V229 HydrophobicContact CB-CG1 4.26Å; F210-V229 HydrophobicContact CD1-CB 4.49Å; F210-V229 HydrophobicContact CD1-CG1 4.15Å; F210-V229 PolarHBondContact N-O 3.34Å; W211-V229 HydrophobicContact CB-CB 4.1Å; W211-V229 HydrophobicContact CB-CG2 4.11Å; W211-V229 HydrophobicContact CE3-CG2 3.85Å; W211-V229 PolarHBondContact N-O 2.88Å; W211-V229 PolarHBondContact O-N 3.19Å; V229-K238 HydrophobicContact CG1-CB 4.2Å; V229-P240 HydrophobicContact CG1-CG 4.29Å; V229-P240 HydrophobicContact CG2-CB 3.94Å; V229-P240 HydrophobicContact CG2-CG 3.9Å; V229-F360 HydrophobicContact CB-CE2 4.24Å; V229-F360 HydrophobicContact CG1-CD2 4.37Å; V229-F360 HydrophobicContact CG1-CE2 3.59Å; V229-F360 HydrophobicContact CG1-CZ 3.76Å; V229-F360 HydrophobicContact CG2-CD2 3.91Å; V229-F360 HydrophobicContact CG2-CE2 3.94Å; V229-F360 HydrophobicContact CG2-CG 4.27Å; V229-F360 HydrophobicContact CG2-CZ 4.29Å
230V97.3Very high90.4Very high0 Ų026.9 Ų26.90%013%0.126CC..EExtended strand (participates in β ladder)trans-96.9145.3166.8-61.50000110.2V198 Y201 F207 H208 K238 M239V198-V230 HydrophobicContact CB-CG1 4.29Å; V198-V230 HydrophobicContact CG1-CG1 3.84Å; V198-V230 HydrophobicContact CG2-CG1 4.25Å; Y201-V230 HydrophobicContact CD1-CG2 4.09Å; Y201-V230 HydrophobicContact CD2-CG2 3.81Å; Y201-V230 HydrophobicContact CE2-CG2 4.36Å; Y201-V230 HydrophobicContact CG-CG2 3.68Å; F207-V230 HydrophobicContact CB-CB 4.3Å; F207-V230 HydrophobicContact CD2-CB 4.39Å; F207-V230 HydrophobicContact CD2-CG2 4.19Å; H208-V230 CarbonylContact O-C 3.6Å; H208-V230 VanDerWaalsContact O-CA 3.3Å; H208-V230 WeakPolarHBondContact O-CA 3.45Å; V230-K238 WeakPolarHBondContact O-CA 3.32Å; V230-M239 HydrophobicContact CG2-CB 3.79Å; V230-M239 WeakPolarHBondContact CG2-O 3.49Å; V230-M239 PolarHBondContact N-O 3.15Å; V230-M239 PolarHBondContact O-N 3.32Å
231A97.8Very high91.5Very high0 Ų026.3 Ų26.30%012%0.122CC..EExtended strand (participates in β ladder)trans-137.9153.4176.300000111.4F207 H208 F210 E235 V237 K238F207-A231 CarbonylContact C-O 3.48Å; F207-A231 WeakPolarHBondContact CA-O 3.05Å; F207-A231 WeakPolarHBondContact CB-O 3.43Å; F207-A231 WeakPolarHBondContact CG-O 3.44Å; H208-A231 PolarHBondContact N-O 2.9Å; H208-A231 PolarHBondContact ND1-O 2.72Å; H208-A231 PolarHBondContact O-N 3.37Å; F210-A231 HydrophobicContact CB-CB 3.84Å; F210-A231 HydrophobicContact CD2-CB 4.44Å; F210-A231 HydrophobicContact CG-CB 4.28Å; A231-E235 HydrophobicContact CB-CB 4.5Å; A231-E235 HydrophobicContact CB-CG 4.17Å; A231-V237 WeakPolarHBondContact CA-O 3.14Å; A231-V237 WeakPolarHBondContact CB-O 3.31Å; A231-K238 HydrophobicContact CB-CG 4.24Å
232N97.1Very high92.6Very high2 Ų220.6 Ų20.61%0.01110%0.095CC..  trans-67.2165.5166.373-51.8000110.1F16 F207 H208 E234 E235 T236 V237F16-N232 HydrophobicContact CB-CB 4Å; F16-N232 PolarHBondContact O-ND2 2.92Å; F16-N232 VanDerWaalsContact O-ND2 3.1Å; F207-N232 HydrophobicContact CD1-CB 4.05Å; F207-N232 HydrophobicContact CE1-CB 3.63Å; F207-N232 HydrophobicContact CE2-CB 4.27Å; F207-N232 HydrophobicContact CZ-CB 3.75Å; H208-N232 PolarHBondContact CE1-O 2.79Å; N232-E234 VanDerWaalsContact C-N 3.31Å; N232-E234 PolarHBondContact ND2-OE2 3.39Å; N232-E234 PolarHBondContact O-N 2.69Å; N232-E235 WeakPolarHBondContact O-CA 3.38Å; N232-E235 PolarHBondContact O-N 2.98Å; N232-E235 WeakPolarHBondContact OD1-CA 3.5Å; N232-E235 PolarHBondContact OD1-N 3.36Å; N232-T236 PolarHBondContact ND2-OG1 3.35Å; N232-T236 PolarHBondContact OD1-N 3.38Å; N232-T236 PolarHBondContact OD1-OG1 2.83Å; N232-V237 PolarHBondContact N-O 3.47Å; N232-V237 PolarHBondContact OD1-N 3.5Å; N232-V237 PolarHBondContact OD1-O 3.28Å
233Y94.9Very high94Very high75 Ų7517.9 Ų17.929%0.2948%0.084SC..THydrogen-bonded Turntrans-53.3-43-176.5-169.1-91.4000114.2K7 K10 E235K7-Y233 HydrophobicContact CB-CD2 3.89Å; K7-Y233 HydrophobicContact CB-CE2 3.74Å; K7-Y233 WeakPolarHBondContact CD-O 3.23Å; K7-Y233 PolarHBondContact NZ-O 3.22Å; K10-Y233 HydrophobicContact CB-CD1 4.41Å; K10-Y233 HydrophobicContact CB-CD2 3.85Å; K10-Y233 HydrophobicContact CB-CE1 4.27Å; K10-Y233 HydrophobicContact CB-CE2 3.67Å; K10-Y233 HydrophobicContact CB-CG 4.2Å; K10-Y233 HydrophobicContact CD-CD1 3.72Å; K10-Y233 HydrophobicContact CD-CE1 3.56Å; K10-Y233 HydrophobicContact CD-CG 4.28Å; K10-Y233 HydrophobicContact CG-CD1 3.81Å; K10-Y233 HydrophobicContact CG-CD2 4.02Å; K10-Y233 HydrophobicContact CG-CE1 3.96Å; K10-Y233 HydrophobicContact CG-CE2 4.15Å; K10-Y233 HydrophobicContact CG-CG 3.84Å; Y233-E235 PolarHBondContact O-N 2.62Å
234E95.1Very high94.7Very high76 Ų7618.3 Ų18.336%0.3559%0.086SC..THydrogen-bonded Turntrans-76.9-4.3176.2-68.972.2-156.600114K10 N232 T236K10-E234 WeakPolarHBondContact CE-OE1 3.44Å; K10-E234 IonicContact NZ-OE1 3.03Å; K10-E234 PolarHBondContact NZ-OE1 3.39Å; N232-E234 VanDerWaalsContact C-N 3.31Å; N232-E234 PolarHBondContact ND2-OE2 3.39Å; N232-E234 PolarHBondContact O-N 2.69Å; E234-T236 HydrophobicContact CB-CG2 4.16Å; E234-T236 PolarHBondContact O-N 2.99Å
235E96Very high94.9Very high44 Ų4418.6 Ų18.621%0.2069%0.089CC..SBendtrans58.227.7178.5-61.2168.1159.700114K7 H208 F210 A231 N232 Y233 K238K7-E235 VanDerWaalsContact CE-CD 3.46Å; K7-E235 WeakPolarHBondContact CE-OE1 3.34Å; K7-E235 IonicContact NZ-OE1 2.66Å; K7-E235 PolarHBondContact NZ-OE1 2.96Å; K7-E235 IonicContact NZ-OE2 2.62Å; K7-E235 PolarHBondContact NZ-OE2 3.13Å; H208-E235 IonicContact CE1-OE1 3.65Å; H208-E235 IonicContact NE2-OE1 3.56Å; H208-E235 PolarHBondContact NE2-OE1 3.2Å; F210-E235 HydrophobicContact CD2-CG 3.95Å; F210-E235 VanDerWaalsContact CD2-OE1 3.28Å; F210-E235 WeakPolarHBondContact CD2-OE1 3.26Å; F210-E235 HydrophobicContact CE2-CB 4.44Å; F210-E235 VanDerWaalsContact CE2-CD 3.5Å; F210-E235 HydrophobicContact CE2-CG 4.11Å; F210-E235 WeakPolarHBondContact CE2-OE1 3.29Å; A231-E235 HydrophobicContact CB-CB 4.5Å; A231-E235 HydrophobicContact CB-CG 4.17Å; N232-E235 WeakPolarHBondContact O-CA 3.38Å; N232-E235 PolarHBondContact O-N 2.98Å; N232-E235 WeakPolarHBondContact OD1-CA 3.5Å; N232-E235 PolarHBondContact OD1-N 3.36Å; Y233-E235 PolarHBondContact O-N 2.62Å; E235-K238 WeakPolarHBondContact O-CE 3.48Å; E235-K238 PolarHBondContact O-NZ 3.26Å
236T96.3Very high94.8Very high66 Ų6627.1 Ų27.141%0.40513%0.125SC..  trans-86.6-20.8176.653.60000113.2I17 N232 E234I17-T236 WeakPolarHBondContact O-CB 3.39Å; I17-T236 PolarHBondContact O-OG1 3.19Å; N232-T236 PolarHBondContact ND2-OG1 3.35Å; N232-T236 PolarHBondContact OD1-N 3.38Å; N232-T236 PolarHBondContact OD1-OG1 2.83Å; E234-T236 HydrophobicContact CB-CG2 4.16Å; E234-T236 PolarHBondContact O-N 2.99Å
237V97.8Very high94.4Very high0 Ų025.5 Ų25.50%013%0.129CC..SBendtrans-117.9123.3172.9175.40000107F19 F98 F207 A231 N232 M239F19-V237 HydrophobicContact CD1-CG1 4.48Å; F19-V237 HydrophobicContact CE1-CG1 3.86Å; F19-V237 HydrophobicContact CE2-CG1 4.2Å; F19-V237 HydrophobicContact CZ-CB 4.47Å; F19-V237 HydrophobicContact CZ-CG1 3.7Å; F98-V237 HydrophobicContact CD1-CG1 4.02Å; F98-V237 HydrophobicContact CD1-CG2 4.22Å; F98-V237 HydrophobicContact CE1-CG1 3.49Å; F98-V237 VanDerWaalsContact CE1-CG1 3.49Å; F98-V237 HydrophobicContact CZ-CG1 4.15Å; F207-V237 HydrophobicContact CE2-CB 4.39Å; F207-V237 HydrophobicContact CE2-CG1 3.88Å; F207-V237 HydrophobicContact CZ-CB 4.4Å; F207-V237 HydrophobicContact CZ-CG1 4.1Å; A231-V237 WeakPolarHBondContact CA-O 3.14Å; A231-V237 WeakPolarHBondContact CB-O 3.31Å; N232-V237 PolarHBondContact N-O 3.47Å; N232-V237 PolarHBondContact OD1-N 3.5Å; N232-V237 PolarHBondContact OD1-O 3.28Å; V237-M239 HydrophobicContact CG1-CG 4.36Å
238K98.1Very high93.8Very high14 Ų1431.6 Ų31.66%0.06116%0.156CC..EExtended strand (participates in β ladder)trans-128.3129.1178.4-54.5-176.3-177.969.50109.6H184 V185 F210 V229 V230 A231 E235 F360H184-K238 WeakPolarHBondContact CA-O 3.42Å; H184-K238 HydrophobicContact CB-CB 4.14Å; H184-K238 VanDerWaalsContact CB-O 3.25Å; H184-K238 WeakPolarHBondContact CB-O 3.33Å; V185-K238 PolarHBondContact N-O 2.99Å; F210-K238 HydrophobicContact CD1-CD 4.47Å; F210-K238 HydrophobicContact CE1-CD 4.22Å; V229-K238 HydrophobicContact CG1-CB 4.2Å; V230-K238 WeakPolarHBondContact O-CA 3.32Å; A231-K238 HydrophobicContact CB-CG 4.24Å; E235-K238 WeakPolarHBondContact O-CE 3.48Å; E235-K238 PolarHBondContact O-NZ 3.26Å; K238-F360 HydrophobicContact CB-CE2 4.43Å; K238-F360 HydrophobicContact CB-CZ 3.81Å; K238-F360 HydrophobicContact CD-CE2 3.77Å; K238-F360 HydrophobicContact CD-CZ 3.71Å; K238-F360 HydrophobicContact CG-CZ 4.42Å
239M98.2Very high93.3Very high0 Ų034 Ų340%016%0.164CC..EExtended strand (participates in β ladder)trans-12896.4-178.1-58.5-70.1-62.200109.7F19 V96 Y140 V185 V230 V237 I241F19-M239 HydrophobicContact CE1-SD 3.62Å; F19-M239 HydrophobicContact CZ-SD 3.83Å; V96-M239 HydrophobicContact CG1-SD 4.49Å; Y140-M239 WeakPolarHBondContact OH-CE 3.41Å; V185-M239 HydrophobicContact CB-CE 3.89Å; V185-M239 HydrophobicContact CB-SD 3.71Å; V185-M239 HydrophobicContact CG1-CE 4.06Å; V185-M239 HydrophobicContact CG2-SD 4.49Å; V185-M239 WeakPolarHBondContact O-CA 3.3Å; V185-M239 WeakPolarHBondContact O-CE 3.44Å; V230-M239 HydrophobicContact CG2-CB 3.79Å; V230-M239 WeakPolarHBondContact CG2-O 3.49Å; V230-M239 PolarHBondContact N-O 3.15Å; V230-M239 PolarHBondContact O-N 3.32Å; V237-M239 HydrophobicContact CG1-CG 4.36Å; M239-I241 HydrophobicContact CB-CD1 4.41Å; M239-I241 PolarHBondContact O-N 2.83Å
240P97.1Very high92.8Very high3 Ų334.5 Ų34.52%0.01917%0.166CC..EExtended strand (participates in β ladder)trans-63.3127.6166-20.832.1000111.2V185 V186 G187 V229 F360V185-P240 WeakPolarHBondContact O-CD 3.35Å; V186-P240 CarbonylContact C-O 3.46Å; V186-P240 VanDerWaalsContact CA-O 3.32Å; V186-P240 WeakPolarHBondContact CA-O 3.42Å; V186-P240 HydrophobicContact CB-CB 4.37Å; V186-P240 HydrophobicContact CG1-CB 4.17Å; V186-P240 HydrophobicContact CG2-CB 3.7Å; V186-P240 HydrophobicContact CG2-CG 3.62Å; G187-P240 PolarHBondContact N-O 3.26Å; V229-P240 HydrophobicContact CG1-CG 4.29Å; V229-P240 HydrophobicContact CG2-CB 3.94Å; V229-P240 HydrophobicContact CG2-CG 3.9Å; P240-F360 HydrophobicContact CG-CD1 4.11Å; P240-F360 HydrophobicContact CG-CE1 3.56Å; P240-F360 HydrophobicContact CG-CZ 4.05Å
241I98Very high92.5Very high0 Ų034.7 Ų34.70%017%0.168CC..EExtended strand (participates in β ladder)trans-113.1121.3175.4-51.3-58000107.4Y140 G187 Q189 M194 I197 V198 Y201 S227 I228 M239Y140-I241 HydrophobicContact CE1-CD1 3.97Å; G187-I241 WeakPolarHBondContact O-CA 3.25Å; Q189-I241 HydrophobicContact CG-CG2 3.48Å; Q189-I241 VanDerWaalsContact CG-CG2 3.48Å; M194-I241 HydrophobicContact CB-CG2 4.41Å; M194-I241 HydrophobicContact CG-CB 4.28Å; M194-I241 HydrophobicContact CG-CG2 3.93Å; M194-I241 WeakPolarHBondContact CG-O 3.31Å; I197-I241 HydrophobicContact CB-CG2 4.19Å; I197-I241 HydrophobicContact CG2-CD1 4.19Å; I197-I241 HydrophobicContact CG2-CG1 4.32Å; I197-I241 HydrophobicContact CG2-CG2 3.91Å; V198-I241 HydrophobicContact CG2-CB 4.12Å; V198-I241 HydrophobicContact CG2-CG1 4.28Å; V198-I241 HydrophobicContact CG2-CG2 4.45Å; Y201-I241 HydrophobicContact CE2-CD1 3.86Å; Y201-I241 HydrophobicContact CE2-CG1 4.43Å; S227-I241 WeakPolarHBondContact CA-O 3.3Å; I228-I241 PolarHBondContact N-O 3.5Å; I228-I241 PolarHBondContact O-N 2.89Å; M239-I241 HydrophobicContact CB-CD1 4.41Å; M239-I241 PolarHBondContact O-N 2.83Å
242N95.8Very high92.2Very high7 Ų735 Ų354%0.03717%0.169CC..EExtended strand (participates in β ladder)trans-114.3149.4-175.4-56.9-29.2000111.4V186 G187 N188 Q189 R226 S227 I253V186-N242 WeakPolarHBondContact CG1-ND2 3.34Å; G187-N242 PolarHBondContact O-N 3.46Å; N188-N242 WeakPolarHBondContact OD1-CB 3.43Å; N188-N242 PolarHBondContact OD1-ND2 3.04Å; N188-N242 VanDerWaalsContact OD1-ND2 3.15Å; Q189-N242 WeakPolarHBondContact CB-O 3.48Å; Q189-N242 WeakPolarHBondContact CG-O 3.35Å; Q189-N242 PolarHBondContact N-O 2.78Å; R226-N242 WeakPolarHBondContact O-CA 3.32Å; S227-N242 WeakPolarHBondContact CB-OD1 3.21Å; S227-N242 PolarHBondContact OG-OD1 3.32Å; N242-I253 HydrophobicContact CB-CD1 3.88Å; N242-I253 HydrophobicContact CB-CG1 4.33Å; N242-I253 HydrophobicContact CB-CG2 4.49Å
243E94.9Very high92Very high6 Ų635 Ų353%0.02817%0.169CC..EExtended strand (participates in β ladder)trans-133.2156.416559.9-177-168.500110.3D192 E193 M194 R226D192-E243 WeakPolarHBondContact CA-OE2 3.38Å; E193-E243 PolarHBondContact N-OE2 3.27Å; M194-E243 HydrophobicContact CB-CB 3.75Å; M194-E243 HydrophobicContact CB-CG 3.52Å; M194-E243 WeakPolarHBondContact CB-OE2 3.24Å; M194-E243 HydrophobicContact CE-CG 4.14Å; M194-E243 WeakPolarHBondContact CE-OE1 3.22Å; M194-E243 HydrophobicContact CG-CG 4.36Å; M194-E243 PolarHBondContact N-OE2 3.4Å; M194-E243 HydrophobicContact SD-CG 4.05Å; R226-E243 HydrophobicContact CB-CG 4.01Å; R226-E243 IonicContact CZ-OE1 2.7Å; R226-E243 PolarHBondContact N-O 2.93Å; R226-E243 VanDerWaalsContact N-O 3.13Å; R226-E243 IonicContact NE-OE1 2.75Å; R226-E243 PolarHBondContact NE-OE1 2.74Å; R226-E243 IonicContact NH2-OE1 3.4Å; R226-E243 PolarHBondContact NH2-OE1 3.05Å; R226-E243 PolarHBondContact O-N 3.47Å; R226-E243 VanDerWaalsContact O-N 3.09Å
244P92.8Very high92Very high9 Ų934 Ų346%0.05817%0.167CC..EExtended strand (participates in β ladder)trans-60.7153.5172.828.1-35.9000111.1Q189 D191 I253 Q254Q189-P244 WeakPolarHBondContact O-CD 3.25Å; D191-P244 HydrophobicContact CB-CG 4.01Å; P244-I253 HydrophobicContact CB-CB 4.3Å; P244-Q254 HydrophobicContact CB-CB 4.25Å
245A88Confident92Very high7 Ų730.6 Ų30.66%0.05815%0.151CC..EExtended strand (participates in β ladder)trans-131158.7168.900000110.6D215 A224 R226 G247D215-A245 HydrophobicContact CB-CB 3.74Å; A224-A245 HydrophobicContact CB-CB 3.85Å; A224-A245 PolarHBondContact O-N 3.17Å; R226-A245 HydrophobicContact CG-CB 4.18Å; A245-G247 PolarHBondContact O-N 3.29Å
246K82.7Confident92.1Very high186 Ų18628.6 Ų28.681%0.80914%0.142SC*.  trans-66.7128.6-176.8-66.6-175.8-179.6179.50110.5
247G81.9Confident92.1Very high32 Ų3226.1 Ų26.133%0.3313%0.126SC..  trans-143.5-178.8172.400000111.2F222 A245 R249F222-G247 CarbonylContact O-C 3.59Å; A245-G247 PolarHBondContact O-N 3.29Å; G247-R249 PolarHBondContact O-N 3.36Å
248K78.5Confident92.1Very high127 Ų12730 Ų3055%0.55215%0.145SC*.SBendtrans-64.3-26.5173.4-62.2-177.6-173163.80112.4E221 F222E221-K248 WeakPolarHBondContact O-CD 3.49Å; E221-K248 IonicContact OE1-NZ 2.72Å; E221-K248 PolarHBondContact OE1-NZ 2.66Å; F222-K248 CarbonylContact O-C 3.55Å; F222-K248 WeakPolarHBondContact O-CA 3.38Å; F222-K248 PolarHBondContact O-N 3.08Å
249R84.1Confident92.1Very high61 Ų6133.6 Ų33.623%0.2316%0.158CC..BIsolated β-bridgetrans-133164.2-176.9-57.1-166.9-180-118.52.4110.7F222 S223 G247 S251 L382 T383F222-R249 HydrophobicContact CB-CB 4.07Å; F222-R249 HydrophobicContact CB-CG 3.88Å; F222-R249 HydrophobicContact CD1-CG 4.21Å; F222-R249 HydrophobicContact CG-CG 4.36Å; F222-R249 PolarHBondContact O-N 2.87Å; S223-R249 WeakPolarHBondContact CB-O 3.34Å; G247-R249 PolarHBondContact O-N 3.36Å; R249-S251 PolarHBondContact O-N 3.36Å; R249-L382 HydrophobicContact CB-CD1 3.84Å; R249-L382 HydrophobicContact CB-CG 4.1Å; R249-L382 WeakPolarHBondContact CD-O 3.45Å; R249-L382 HydrophobicContact CG-CG 4.49Å; R249-L382 PolarHBondContact NH1-O 3.37Å; R249-T383 CarbonylContact C-O 3.51Å; R249-T383 VanDerWaalsContact CA-O 3.25Å; R249-T383 WeakPolarHBondContact CA-O 3.4Å; R249-T383 WeakPolarHBondContact CB-O 3.42Å
250K86.6Confident92.1Very high9 Ų933.7 Ų33.74%0.03916%0.159CC..  trans-56.4127.2179.4-174.3-173.2-57.9-166.80111.3Q254 E258 Q376 T383 L385K250-Q254 HydrophobicContact CD-CB 4.36Å; K250-Q254 HydrophobicContact CD-CG 4.23Å; K250-Q254 HydrophobicContact CG-CB 3.9Å; K250-Q254 HydrophobicContact CG-CG 4.04Å; K250-E258 WeakPolarHBondContact CE-OE1 3.28Å; K250-E258 IonicContact NZ-OE1 2.66Å; K250-E258 PolarHBondContact NZ-OE1 2.79Å; K250-E258 IonicContact NZ-OE2 2.85Å; K250-E258 PolarHBondContact NZ-OE2 3.27Å; K250-Q376 PolarHBondContact O-NE2 2.79Å; K250-T383 WeakPolarHBondContact CE-OG1 3.49Å; K250-T383 PolarHBondContact N-O 3.46Å; K250-L385 HydrophobicContact CB-CD2 4.31Å
251S90.5Very high92.1Very high4 Ų435.3 Ų35.33%0.02818%0.176CC..  trans-63.1139170.8-177.30000111.2A224 R249 I253 Q254 E255A224-S251 VanDerWaalsContact O-CB 3.31Å; A224-S251 WeakPolarHBondContact O-CB 3.43Å; A224-S251 PolarHBondContact O-OG 3.16Å; R249-S251 PolarHBondContact O-N 3.36Å; S251-I253 PolarHBondContact O-N 3.46Å; S251-I253 VanDerWaalsContact O-N 3.14Å; S251-I253 PolarHBondContact OG-N 3.46Å; S251-Q254 WeakPolarHBondContact O-CA 3.46Å; S251-Q254 VanDerWaalsContact O-CB 3.31Å; S251-Q254 WeakPolarHBondContact O-CB 3.39Å; S251-Q254 PolarHBondContact O-N 2.99Å; S251-E255 PolarHBondContact O-N 3.04Å; S251-E255 VanDerWaalsContact O-N 3.09Å
252Q90.9Very high92.1Very high8 Ų835.8 Ų35.84%0.03718%0.181CC..Hα-helixtrans-56.9-24171.368.4-15315.900113.6Q254 E255 Y256 F369 I372Q252-Q254 VanDerWaalsContact C-N 3.33Å; Q252-E255 PolarHBondContact O-N 2.87Å; Q252-Y256 PolarHBondContact O-N 3.14Å; Q252-F369 HydrophobicContact CG-CE2 4.11Å; Q252-F369 HydrophobicContact CG-CZ 4.43Å; Q252-I372 HydrophobicContact CB-CG2 3.85Å; Q252-I372 HydrophobicContact CG-CG2 4.08Å; Q252-I372 VanDerWaalsContact OE1-CG2 3.23Å
253I93.6Very high92.2Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-68-38.4173.5-50.6-57.1000110.2N188 L225 N242 P244 S251 Y256 V257N188-I253 HydrophobicContact CB-CG2 3.98Å; N188-I253 WeakPolarHBondContact OD1-CD1 3.25Å; L225-I253 HydrophobicContact CB-CG1 3.83Å; L225-I253 HydrophobicContact CD2-CD1 3.88Å; L225-I253 HydrophobicContact CD2-CG1 3.98Å; N242-I253 HydrophobicContact CB-CD1 3.88Å; N242-I253 HydrophobicContact CB-CG1 4.33Å; N242-I253 HydrophobicContact CB-CG2 4.49Å; P244-I253 HydrophobicContact CB-CB 4.3Å; S251-I253 PolarHBondContact O-N 3.46Å; S251-I253 VanDerWaalsContact O-N 3.14Å; S251-I253 PolarHBondContact OG-N 3.46Å; I253-Y256 WeakPolarHBondContact O-CB 3.36Å; I253-Y256 PolarHBondContact O-N 3.34Å; I253-V257 WeakPolarHBondContact O-CG2 3Å; I253-V257 PolarHBondContact O-N 3.22Å
254Q94.6Very high92.4Very high56 Ų5636 Ų3626%0.26218%0.184SC..Hα-helixtrans-69-39173.9-172.761.953.900111.6P244 K250 S251 Q252 Y256 V257 E258P244-Q254 HydrophobicContact CB-CB 4.25Å; K250-Q254 HydrophobicContact CD-CB 4.36Å; K250-Q254 HydrophobicContact CD-CG 4.23Å; K250-Q254 HydrophobicContact CG-CB 3.9Å; K250-Q254 HydrophobicContact CG-CG 4.04Å; S251-Q254 WeakPolarHBondContact O-CA 3.46Å; S251-Q254 VanDerWaalsContact O-CB 3.31Å; S251-Q254 WeakPolarHBondContact O-CB 3.39Å; S251-Q254 PolarHBondContact O-N 2.99Å; Q252-Q254 VanDerWaalsContact C-N 3.33Å; Q254-Y256 VanDerWaalsContact C-N 3.32Å; Q254-Y256 PolarHBondContact O-N 2.99Å; Q254-V257 PolarHBondContact O-N 3Å; Q254-E258 VanDerWaalsContact O-CG 3.3Å; Q254-E258 WeakPolarHBondContact O-CG 3.43Å; Q254-E258 PolarHBondContact O-N 3.19Å
255E95.7Very high92.7Very high3 Ų335.6 Ų35.61%0.01418%0.181CC..Hα-helixtrans-55.6-49.1171-179.9-174.3-143.200110.4S251 Q252 V257 E258 Y259 P345 Q376 R379 N381S251-E255 PolarHBondContact O-N 3.04Å; S251-E255 VanDerWaalsContact O-N 3.09Å; Q252-E255 PolarHBondContact O-N 2.87Å; E255-V257 PolarHBondContact O-N 3.04Å; E255-E258 PolarHBondContact O-N 2.81Å; E255-Y259 HydrophobicContact CG-CD2 3.95Å; E255-Y259 HydrophobicContact CG-CE2 4.09Å; E255-Y259 WeakPolarHBondContact O-CD2 3.37Å; E255-Y259 PolarHBondContact O-N 2.98Å; E255-Y259 VanDerWaalsContact O-N 3.14Å; E255-P345 HydrophobicContact CG-CB 4.4Å; E255-P345 HydrophobicContact CG-CG 3.89Å; E255-Q376 WeakPolarHBondContact OE2-CG 3.5Å; E255-R379 IonicContact OE1-CZ 2.78Å; E255-R379 IonicContact OE1-NE 2.64Å; E255-R379 PolarHBondContact OE1-NE 2.88Å; E255-R379 IonicContact OE1-NH2 3.97Å; E255-R379 PolarHBondContact OE1-NH2 3.31Å; E255-R379 IonicContact OE2-CZ 3.12Å; E255-R379 IonicContact OE2-NE 3.35Å; E255-R379 IonicContact OE2-NH2 3.03Å; E255-R379 PolarHBondContact OE2-NH2 3.24Å; E255-N381 HydrophobicContact CG-CB 4.16Å; E255-N381 WeakPolarHBondContact OE1-CB 3.5Å; E255-N381 PolarHBondContact OE1-ND2 2.63Å
256Y97.5Very high93.2Very high2 Ų235.7 Ų35.71%0.00818%0.18CC..Hα-helixtrans-54.4-52.2176.2174.5-80.7000111.6N188 Q252 I253 Q254 E258 Y259 Y260 G264 V265 Q266 T346N188-Y256 HydrophobicContact CB-CD1 3.51Å; N188-Y256 HydrophobicContact CB-CE1 3.85Å; N188-Y256 HydrophobicContact CB-CG 4.04Å; N188-Y256 WeakPolarHBondContact ND2-CB 3.46Å; Q252-Y256 PolarHBondContact O-N 3.14Å; I253-Y256 WeakPolarHBondContact O-CB 3.36Å; I253-Y256 PolarHBondContact O-N 3.34Å; Q254-Y256 VanDerWaalsContact C-N 3.32Å; Q254-Y256 PolarHBondContact O-N 2.99Å; Y256-E258 VanDerWaalsContact C-N 3.31Å; Y256-E258 PolarHBondContact O-N 3.01Å; Y256-Y259 PolarHBondContact O-N 3.22Å; Y256-Y260 AromaticContact CE1-CD1 3.87Å; Y256-Y260 HydrophobicContact CE1-CD1 3.87Å; Y256-Y260 AromaticContact CE1-CG 3.77Å; Y256-Y260 HydrophobicContact CE1-CG 3.77Å; Y256-Y260 HydrophobicContact CE2-CD2 4.42Å; Y256-Y260 HydrophobicContact CE2-CG 4.41Å; Y256-Y260 AromaticContact CZ-CD1 3.89Å; Y256-Y260 AromaticContact CZ-CD2 3.89Å; Y256-Y260 AromaticContact CZ-CG 3.58Å; Y256-Y260 WeakPolarHBondContact O-CB 3.41Å; Y256-Y260 PolarHBondContact O-N 2.81Å; Y256-Y260 VanDerWaalsContact OH-CD1 3.31Å; Y256-Y260 WeakPolarHBondContact OH-CD1 3.19Å; Y256-Y260 WeakPolarHBondContact OH-CD2 3.34Å; Y256-Y260 WeakPolarHBondContact OH-CE1 3.24Å; Y256-Y260 WeakPolarHBondContact OH-CE2 3.49Å; Y256-Y260 VanDerWaalsContact OH-CG 3.25Å; Y256-G264 WeakPolarHBondContact OH-CA 3.37Å; Y256-G264 PolarHBondContact OH-O 3.23Å; Y256-V265 PolarHBondContact OH-N 2.87Å; Y256-V265 PolarHBondContact OH-O 3.37Å; Y256-V265 VanDerWaalsContact OH-O 3.06Å; Y256-Q266 HydrophobicContact CD2-CB 4.1Å; Y256-Q266 HydrophobicContact CD2-CG 3.91Å; Y256-Q266 HydrophobicContact CE2-CB 4.06Å; Y256-Q266 HydrophobicContact CE2-CG 4.29Å; Y256-T346 HydrophobicContact CD2-CG2 4.27Å; Y256-T346 HydrophobicContact CE2-CG2 4.29Å
257V97.4Very high93.9Very high14 Ų1427.5 Ų27.59%0.08515%0.145CC..Hα-helixtrans-62.2-38.7-175.4170.50000111.5Q189 I253 Q254 E255 G261 G262Q189-V257 WeakPolarHBondContact O-CG2 3.18Å; I253-V257 WeakPolarHBondContact O-CG2 3Å; I253-V257 PolarHBondContact O-N 3.22Å; Q254-V257 PolarHBondContact O-N 3Å; E255-V257 PolarHBondContact O-N 3.04Å; V257-G261 CarbonylContact O-C 3.52Å; V257-G261 WeakPolarHBondContact O-CA 3.5Å; V257-G261 PolarHBondContact O-N 3Å; V257-G262 PolarHBondContact O-N 2.6Å
258E96.9Very high94.7Very high82 Ų8226 Ų2638%0.38313%0.129SC..Hα-helixtrans-63.3-47.4176.9-73.1170.3-177.200112.4K250 Q254 E255 Y256K250-E258 WeakPolarHBondContact CE-OE1 3.28Å; K250-E258 IonicContact NZ-OE1 2.66Å; K250-E258 PolarHBondContact NZ-OE1 2.79Å; K250-E258 IonicContact NZ-OE2 2.85Å; K250-E258 PolarHBondContact NZ-OE2 3.27Å; Q254-E258 VanDerWaalsContact O-CG 3.3Å; Q254-E258 WeakPolarHBondContact O-CG 3.43Å; Q254-E258 PolarHBondContact O-N 3.19Å; E255-E258 PolarHBondContact O-N 2.81Å; Y256-E258 VanDerWaalsContact C-N 3.31Å; Y256-E258 PolarHBondContact O-N 3.01Å
259Y97.9Very high95.7Very high89 Ų8919.9 Ų19.935%0.34910%0.103SC..Hα-helixtrans-82.6-27.6-176.8-77.2-88.1000113.5E255 Y256 R344 P345 N381E255-Y259 HydrophobicContact CG-CD2 3.95Å; E255-Y259 HydrophobicContact CG-CE2 4.09Å; E255-Y259 WeakPolarHBondContact O-CD2 3.37Å; E255-Y259 PolarHBondContact O-N 2.98Å; E255-Y259 VanDerWaalsContact O-N 3.14Å; Y256-Y259 PolarHBondContact O-N 3.22Å; Y259-R344 WeakPolarHBondContact O-CD 3.47Å; Y259-R344 PolarHBondContact O-NH1 3.09Å; Y259-P345 HydrophobicContact CD1-CG 4.29Å; Y259-P345 HydrophobicContact CD2-CG 3.64Å; Y259-P345 HydrophobicContact CE2-CG 4.07Å; Y259-P345 HydrophobicContact CG-CG 3.76Å; Y259-N381 VanDerWaalsContact CE2-ND2 3.28Å; Y259-N381 WeakPolarHBondContact CE2-ND2 3.49Å; Y259-N381 PolarHBondContact OH-ND2 2.85Å; Y259-N381 VanDerWaalsContact OH-ND2 3.14Å; Y259-N381 PolarHBondContact OH-OD1 2.68Å; Y259-N381 VanDerWaalsContact OH-OD1 3.1Å
260Y98.2Very high96.4Very high2 Ų217 Ų171%0.0089%0.092CC..Hα-helixtrans-79.5-23.1172.2-161.4-109.4000111.6H89 V93 Y256 G262 P263 T346H89-Y260 WeakPolarHBondContact CA-O 3.47Å; H89-Y260 HydrophobicContact CB-CD2 4.02Å; H89-Y260 HydrophobicContact CB-CE1 4.32Å; H89-Y260 HydrophobicContact CB-CE2 3.63Å; H89-Y260 AromaticContact CE1-CD1 3.89Å; H89-Y260 AromaticContact CE1-CE1 3.61Å; H89-Y260 AromaticContact CG-CE1 3.78Å; H89-Y260 AromaticContact CG-CZ 3.68Å; H89-Y260 AromaticContact ND1-CD1 3.27Å; H89-Y260 VanDerWaalsContact ND1-CD1 3.27Å; H89-Y260 WeakPolarHBondContact ND1-CD1 3.45Å; H89-Y260 AromaticContact ND1-CE1 3.13Å; H89-Y260 WeakPolarHBondContact ND1-CE1 3.3Å; H89-Y260 AromaticContact ND1-CG 3.77Å; H89-Y260 AromaticContact ND1-CZ 3.53Å; H89-Y260 PolarHBondContact ND1-O 2.76Å; V93-Y260 PolarHBondContact O-OH 3.48Å; Y256-Y260 AromaticContact CE1-CD1 3.87Å; Y256-Y260 HydrophobicContact CE1-CD1 3.87Å; Y256-Y260 AromaticContact CE1-CG 3.77Å; Y256-Y260 HydrophobicContact CE1-CG 3.77Å; Y256-Y260 HydrophobicContact CE2-CD2 4.42Å; Y256-Y260 HydrophobicContact CE2-CG 4.41Å; Y256-Y260 AromaticContact CZ-CD1 3.89Å; Y256-Y260 AromaticContact CZ-CD2 3.89Å; Y256-Y260 AromaticContact CZ-CG 3.58Å; Y256-Y260 WeakPolarHBondContact O-CB 3.41Å; Y256-Y260 PolarHBondContact O-N 2.81Å; Y256-Y260 VanDerWaalsContact OH-CD1 3.31Å; Y256-Y260 WeakPolarHBondContact OH-CD1 3.19Å; Y256-Y260 WeakPolarHBondContact OH-CD2 3.34Å; Y256-Y260 WeakPolarHBondContact OH-CE1 3.24Å; Y256-Y260 WeakPolarHBondContact OH-CE2 3.49Å; Y256-Y260 VanDerWaalsContact OH-CG 3.25Å; Y260-G262 WeakPolarHBondContact CD1-O 3.28Å; Y260-P263 WeakPolarHBondContact CE1-O 3.3Å; Y260-T346 HydrophobicContact CD2-CG2 3.99Å; Y260-T346 HydrophobicContact CG-CG2 4.36Å
261G97.6Very high96.9Very high37 Ų3717.5 Ų17.538%0.38110%0.095SC..THydrogen-bonded Turntrans77.430.6-17700000113.7K88 V257K88-G261 WeakPolarHBondContact CE-O 3.24Å; V257-G261 CarbonylContact O-C 3.52Å; V257-G261 WeakPolarHBondContact O-CA 3.5Å; V257-G261 PolarHBondContact O-N 3Å
262G97.8Very high97.3Very high10 Ų1017.4 Ų17.410%0.1039%0.094CC..SBendtrans140.3-167.3178.500000113.9V257 Y260V257-G262 PolarHBondContact O-N 2.6Å; Y260-G262 WeakPolarHBondContact CD1-O 3.28Å
263P98.4Very high97.6Very high19 Ų1922 Ų2212%0.12313%0.127CC..SBendtrans-65.7149.6176.3-22.634.1000113.9N188 E193 Y260N188-P263 WeakPolarHBondContact O-CA 3.19Å; N188-P263 WeakPolarHBondContact O-CB 3.43Å; E193-P263 WeakPolarHBondContact OE2-CG 3.31Å; Y260-P263 WeakPolarHBondContact CE1-O 3.3Å
264G98.6Very high97.9Very high0 Ų024.4 Ų24.40%014%0.14CC..EExtended strand (participates in β ladder)trans175.5-178.6176.800000114G187 N188 Y256 Q266G187-G264 CarbonylContact C-O 3.53Å; G187-G264 WeakPolarHBondContact CA-O 3.43Å; N188-G264 PolarHBondContact N-O 2.86Å; N188-G264 PolarHBondContact O-N 3.05Å; Y256-G264 WeakPolarHBondContact OH-CA 3.37Å; Y256-G264 PolarHBondContact OH-O 3.23Å; G264-Q266 PolarHBondContact O-N 2.73Å
265V98.8Very high98Very high0 Ų021.8 Ų21.80%013%0.128CC..EExtended strand (participates in β ladder)trans-74.1119.3179.2177.10000110.7V93 V96 Y140 T143 V185 V186 Y256 I268V93-V265 HydrophobicContact CB-CB 3.82Å; V93-V265 HydrophobicContact CB-CG1 4.35Å; V93-V265 HydrophobicContact CB-CG2 3.88Å; V93-V265 HydrophobicContact CG1-CB 4.35Å; V93-V265 HydrophobicContact CG1-CG2 3.9Å; V93-V265 HydrophobicContact CG2-CB 3.91Å; V93-V265 HydrophobicContact CG2-CG1 3.91Å; V93-V265 HydrophobicContact CG2-CG2 4.36Å; V96-V265 HydrophobicContact CG2-CG2 4.04Å; Y140-V265 HydrophobicContact CE2-CG2 4.41Å; T143-V265 HydrophobicContact CG2-CG2 4.35Å; V185-V265 HydrophobicContact CG1-CB 4.38Å; V185-V265 HydrophobicContact CG1-CG1 3.47Å; V185-V265 VanDerWaalsContact CG1-CG1 3.47Å; V185-V265 HydrophobicContact CG1-CG2 3.97Å; V186-V265 CarbonylContact O-C 3.57Å; V186-V265 VanDerWaalsContact O-CA 3.3Å; V186-V265 WeakPolarHBondContact O-CA 3.5Å; Y256-V265 PolarHBondContact OH-N 2.87Å; Y256-V265 PolarHBondContact OH-O 3.37Å; Y256-V265 VanDerWaalsContact OH-O 3.06Å; V265-I268 HydrophobicContact CG1-CG1 4.11Å
266Q98.4Very high98.2Very high9 Ų923.1 Ų23.14%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-82-53.1175.2-173.2-161.550.700112V186 N188 Y256 G264 V347 F348V186-Q266 HydrophobicContact CG1-CB 4.47Å; V186-Q266 PolarHBondContact O-N 3.48Å; N188-Q266 HydrophobicContact CB-CB 4.4Å; N188-Q266 VanDerWaalsContact ND2-CD 3.32Å; N188-Q266 WeakPolarHBondContact ND2-CG 3.48Å; N188-Q266 PolarHBondContact ND2-NE2 2.98Å; Y256-Q266 HydrophobicContact CD2-CB 4.1Å; Y256-Q266 HydrophobicContact CD2-CG 3.91Å; Y256-Q266 HydrophobicContact CE2-CB 4.06Å; Y256-Q266 HydrophobicContact CE2-CG 4.29Å; G264-Q266 PolarHBondContact O-N 2.73Å; Q266-V347 CarbonylContact O-C 3.55Å; Q266-V347 VanDerWaalsContact O-CA 3.25Å; Q266-V347 WeakPolarHBondContact O-CA 3.08Å; Q266-F348 VanDerWaalsContact CD-CE1 3.5Å; Q266-F348 HydrophobicContact CG-CD1 4.18Å; Q266-F348 HydrophobicContact CG-CE1 3.44Å; Q266-F348 VanDerWaalsContact CG-CE1 3.44Å; Q266-F348 HydrophobicContact CG-CZ 4.01Å; Q266-F348 PolarHBondContact O-N 2.93Å
267H98.4Very high98.2Very high13 Ų1324.9 Ų24.96%0.0615%0.146CC..EExtended strand (participates in β ladder)trans-147160.4-178.570.1-93.8000113.7H184 V186 F348 E350H184-H267 AromaticContact NE2-NE2 3.63Å; V186-H267 VanDerWaalsContact CB-CE1 3.48Å; V186-H267 WeakPolarHBondContact CB-CE1 3.12Å; V186-H267 WeakPolarHBondContact CG2-CE1 3.25Å; V186-H267 WeakPolarHBondContact CG2-NE2 3.47Å; V186-H267 PolarHBondContact N-O 2.84Å; H267-F348 WeakPolarHBondContact CA-O 3.05Å; H267-F348 HydrophobicContact CB-CD1 4.36Å; H267-F348 HydrophobicContact CB-CD2 3.59Å; H267-F348 HydrophobicContact CB-CE1 4.27Å; H267-F348 HydrophobicContact CB-CE2 3.44Å; H267-F348 VanDerWaalsContact CB-CE2 3.44Å; H267-F348 HydrophobicContact CB-CG 4.05Å; H267-F348 HydrophobicContact CB-CZ 3.81Å; H267-F348 VanDerWaalsContact CB-O 3.27Å; H267-F348 WeakPolarHBondContact CB-O 3.34Å; H267-F348 AromaticContact CG-CE2 3.64Å; H267-F348 AromaticContact CG-CZ 3.91Å; H267-F348 AromaticContact ND1-CE2 3.75Å; H267-F348 AromaticContact ND1-CZ 3.58Å; H267-E350 IonicContact CD2-OE2 2.74Å; H267-E350 IonicContact NE2-OE2 3.77Å
268I98.8Very high98.3Very high0 Ų024.2 Ų24.20%014%0.142CC..EExtended strand (participates in β ladder)trans-126.4120.2-179.7-56.4152.3000107.4L22 F24 Y69 V93 I182 V185 V265 F348 L349 E350L22-I268 HydrophobicContact CD2-CB 4.5Å; L22-I268 HydrophobicContact CD2-CD1 3.37Å; L22-I268 HydrophobicContact CD2-CG1 3.53Å; L22-I268 HydrophobicContact CD2-CG2 4.15Å; F24-I268 HydrophobicContact CE1-CD1 4.28Å; F24-I268 HydrophobicContact CE2-CD1 4.33Å; F24-I268 HydrophobicContact CZ-CD1 3.5Å; Y69-I268 HydrophobicContact CE1-CD1 4.33Å; Y69-I268 HydrophobicContact CE1-CG2 4.34Å; Y69-I268 WeakPolarHBondContact OH-CG2 3.5Å; V93-I268 HydrophobicContact CG2-CD1 3.99Å; I182-I268 HydrophobicContact CG1-CG2 4.49Å; I182-I268 HydrophobicContact CG2-CG2 4.03Å; V185-I268 HydrophobicContact CG1-CG1 4.26Å; V185-I268 HydrophobicContact CG2-CG1 4.48Å; V185-I268 HydrophobicContact CG2-CG2 4.24Å; V265-I268 HydrophobicContact CG1-CG1 4.11Å; I268-F348 PolarHBondContact N-O 2.89Å; I268-L349 HydrophobicContact CB-CD2 4.01Å; I268-L349 HydrophobicContact CD1-CD2 4.12Å; I268-E350 PolarHBondContact O-N 2.74Å
269A98.4Very high98.4Very high0 Ų020.3 Ų20.30%012%0.124CC..EExtended strand (participates in β ladder)trans-91.5129.2177.900000111.3I182 D183 H184 E350 I352I182-A269 CarbonylContact C-O 3.59Å; I182-A269 WeakPolarHBondContact CA-O 3.17Å; D183-A269 HydrophobicContact CB-CB 4.11Å; D183-A269 PolarHBondContact N-O 2.76Å; H184-A269 WeakPolarHBondContact CE1-CB 3.5Å; H184-A269 VanDerWaalsContact ND1-CB 3.31Å; H184-A269 WeakPolarHBondContact ND1-CB 3.43Å; H184-A269 PolarHBondContact O-N 2.73Å; A269-E350 CarbonylContact C-O 3.55Å; A269-E350 WeakPolarHBondContact CA-O 3.47Å; A269-E350 HydrophobicContact CB-CB 3.86Å; A269-E350 HydrophobicContact CB-CG 4.03Å; A269-E350 WeakPolarHBondContact CB-OE2 3.27Å; A269-I352 HydrophobicContact CB-CG2 4.19Å
270M98.6Very high98.4Very high0 Ų021.3 Ų21.30%013%0.127CC..EExtended strand (participates in β ladder)trans-113.5117.9-177.4-60.7172.9-61.500108.5F42 I67 Y69 L179 L349 E350 V351 I352F42-M270 HydrophobicContact CE2-SD 4.29Å; F42-M270 HydrophobicContact CZ-SD 4.15Å; I67-M270 HydrophobicContact CD1-CB 3.8Å; I67-M270 HydrophobicContact CD1-CG 3.83Å; I67-M270 HydrophobicContact CD1-SD 4.22Å; Y69-M270 HydrophobicContact CE2-SD 4.39Å; Y69-M270 PolarHBondContact OH-SD 2.73Å; Y69-M270 VanDerWaalsContact OH-SD 3.41Å; L179-M270 HydrophobicContact CB-CB 4.46Å; L179-M270 HydrophobicContact CD1-CB 4.11Å; L179-M270 HydrophobicContact CD1-CE 3.65Å; L179-M270 HydrophobicContact CD1-CG 4.49Å; L179-M270 HydrophobicContact CD1-SD 3.65Å; L179-M270 HydrophobicContact CD2-CB 4.25Å; M270-L349 HydrophobicContact CE-CB 3.88Å; M270-L349 HydrophobicContact CE-CD1 4.04Å; M270-L349 HydrophobicContact CE-CG 4.42Å; M270-E350 PolarHBondContact N-O 3.28Å; M270-V351 HydrophobicContact CE-CG2 4.37Å; M270-V351 WeakPolarHBondContact O-CA 3.39Å; M270-I352 PolarHBondContact O-N 2.66Å
271N98.4Very high98.4Very high19 Ų1922.4 Ų22.410%0.10213%0.132CC..EExtended strand (participates in β ladder)trans-70145.5-179.5-173.7-90.5000111.5D180 F181 D183 I352D180-N271 PolarHBondContact N-O 2.81Å; F181-N271 HydrophobicContact CD1-CB 3.91Å; F181-N271 HydrophobicContact CD2-CB 4.17Å; F181-N271 HydrophobicContact CE1-CB 3.61Å; F181-N271 VanDerWaalsContact CE1-CG 3.43Å; F181-N271 VanDerWaalsContact CE1-OD1 3.29Å; F181-N271 WeakPolarHBondContact CE1-OD1 3.47Å; F181-N271 HydrophobicContact CE2-CB 3.87Å; F181-N271 HydrophobicContact CG-CB 4.17Å; F181-N271 HydrophobicContact CZ-CB 3.58Å; F181-N271 VanDerWaalsContact CZ-CG 3.45Å; F181-N271 WeakPolarHBondContact O-CB 3.32Å; F181-N271 PolarHBondContact O-N 3.49Å; D183-N271 HydrophobicContact CB-CB 4.34Å; N271-I352 CarbonylContact C-O 3.57Å; N271-I352 VanDerWaalsContact CA-O 3.26Å; N271-I352 WeakPolarHBondContact CA-O 3.46Å
272T98.6Very high98.5Very high2 Ų220.6 Ų20.61%0.01211%0.114CC..  trans-140.5152.9166.6-175.70000110.8K178 D274 I275 V351 I352 Q353K178-T272 VanDerWaalsContact O-CB 3.23Å; K178-T272 WeakPolarHBondContact O-CB 3.41Å; K178-T272 PolarHBondContact O-OG1 3.3Å; T272-D274 PolarHBondContact OG1-N 2.99Å; T272-I275 HydrophobicContact CG2-CB 3.68Å; T272-I275 HydrophobicContact CG2-CG1 4Å; T272-V351 HydrophobicContact CG2-CG1 3.64Å; T272-I352 PolarHBondContact N-O 3.38Å; T272-Q353 HydrophobicContact CG2-CB 4.21Å; T272-Q353 WeakPolarHBondContact O-CA 3.41Å; T272-Q353 VanDerWaalsContact O-CB 3.28Å; T272-Q353 WeakPolarHBondContact O-CB 3.48Å; T272-Q353 VanDerWaalsContact O-CG 3.31Å; T272-Q353 WeakPolarHBondContact O-CG 3.31Å
273S97.6Very high98.5Very high106 Ų10623.7 Ų23.774%0.74113%0.125SC*.SBendtrans-95.1-3.6171.657.20000113.6Q353S273-Q353 PolarHBondContact O-NE2 3.27Å
274D98.3Very high98.5Very high49 Ų4929.5 Ų29.526%0.26215%0.15SC..  trans-149.377179.8179-1.4000110K178 T272 I276 T277 S278K178-D274 HydrophobicContact CD-CB 4.26Å; K178-D274 IonicContact NZ-OD2 3.69Å; K178-D274 PolarHBondContact NZ-OD2 3.15Å; T272-D274 PolarHBondContact OG1-N 2.99Å; D274-I276 VanDerWaalsContact C-N 3.34Å; D274-I276 PolarHBondContact O-N 2.89Å; D274-T277 VanDerWaalsContact CG-CB 3.49Å; D274-T277 PolarHBondContact O-N 2.8Å; D274-T277 WeakPolarHBondContact OD1-CB 3.39Å; D274-T277 PolarHBondContact OD1-N 3.32Å; D274-T277 PolarHBondContact OD1-OG1 3.13Å; D274-T277 VanDerWaalsContact OD2-CB 3.24Å; D274-T277 WeakPolarHBondContact OD2-CB 3.39Å; D274-T277 PolarHBondContact OD2-OG1 2.83Å; D274-S278 WeakPolarHBondContact O-CB 2.89Å; D274-S278 PolarHBondContact O-N 3.29Å
275I98.6Very high98.5Very high1 Ų130.7 Ų30.71%0.00516%0.155CC..Hα-helixtrans-66.8-34.1-175.3-163.4164.4000112T272 T277 S278 I279 I323 L334 V351 Q353T272-I275 HydrophobicContact CG2-CB 3.68Å; T272-I275 HydrophobicContact CG2-CG1 4Å; I275-T277 PolarHBondContact O-N 3.48Å; I275-S278 PolarHBondContact O-N 3.38Å; I275-I279 HydrophobicContact CG1-CD1 4.42Å; I275-I279 HydrophobicContact CG1-CG1 3.79Å; I275-I279 WeakPolarHBondContact O-CB 2.93Å; I275-I279 VanDerWaalsContact O-CG1 3.23Å; I275-I279 WeakPolarHBondContact O-CG1 3.27Å; I275-I279 PolarHBondContact O-N 2.81Å; I275-I323 HydrophobicContact CD1-CG2 4.18Å; I275-I323 HydrophobicContact CG1-CD1 4.19Å; I275-I323 HydrophobicContact CG2-CD1 4.2Å; I275-L334 HydrophobicContact CD1-CB 3.92Å; I275-L334 HydrophobicContact CG2-CB 3.99Å; I275-L334 HydrophobicContact CG2-CD1 3.51Å; I275-L334 HydrophobicContact CG2-CG 4.41Å; I275-V351 HydrophobicContact CD1-CG1 4.16Å; I275-V351 HydrophobicContact CG1-CG1 3.99Å; I275-Q353 HydrophobicContact CB-CB 3.96Å; I275-Q353 VanDerWaalsContact CB-OE1 3.31Å; I275-Q353 HydrophobicContact CD1-CB 4.36Å; I275-Q353 HydrophobicContact CG2-CB 4.22Å; I275-Q353 VanDerWaalsContact CG2-OE1 3.26Å
276I98.6Very high98.5Very high31 Ų3132.4 Ų32.416%0.15917%0.173CC..Hα-helixtrans-59.7-50.5176.9-73.6177.4000109.8D274 R280 E313 V317 L318 L321D274-I276 VanDerWaalsContact C-N 3.34Å; D274-I276 PolarHBondContact O-N 2.89Å; I276-R280 WeakPolarHBondContact O-CB 3.16Å; I276-R280 WeakPolarHBondContact O-CG 3.33Å; I276-R280 PolarHBondContact O-N 3.42Å; I276-R280 VanDerWaalsContact O-N 3.09Å; I276-E313 HydrophobicContact CD1-CB 3.86Å; I276-E313 HydrophobicContact CD1-CG 3.85Å; I276-E313 HydrophobicContact CG1-CG 4.39Å; I276-V317 HydrophobicContact CB-CG1 4.5Å; I276-V317 HydrophobicContact CD1-CB 4.26Å; I276-V317 HydrophobicContact CD1-CG1 3.85Å; I276-V317 HydrophobicContact CG1-CG1 4.06Å; I276-V317 HydrophobicContact CG2-CG1 3.66Å; I276-L318 HydrophobicContact CD1-CD2 4.25Å; I276-L318 HydrophobicContact CG1-CD2 4.05Å; I276-L321 HydrophobicContact CB-CD1 4.33Å; I276-L321 HydrophobicContact CG1-CD1 4.41Å; I276-L321 HydrophobicContact CG2-CD1 4.03Å
277T98.7Very high98.5Very high40 Ų4032.4 Ų32.425%0.24517%0.173CC..Hα-helixtrans-70.2-39.8179.3-54.10000111.4K178 D274 I275 I279 R280 N281K178-T277 HydrophobicContact CD-CG2 3.76Å; D274-T277 VanDerWaalsContact CG-CB 3.49Å; D274-T277 PolarHBondContact O-N 2.8Å; D274-T277 WeakPolarHBondContact OD1-CB 3.39Å; D274-T277 PolarHBondContact OD1-N 3.32Å; D274-T277 PolarHBondContact OD1-OG1 3.13Å; D274-T277 VanDerWaalsContact OD2-CB 3.24Å; D274-T277 WeakPolarHBondContact OD2-CB 3.39Å; D274-T277 PolarHBondContact OD2-OG1 2.83Å; I275-T277 PolarHBondContact O-N 3.48Å; T277-I279 PolarHBondContact O-N 3.45Å; T277-R280 PolarHBondContact O-N 3.02Å; T277-N281 WeakPolarHBondContact O-CB 3.39Å; T277-N281 PolarHBondContact O-N 3.08Å; T277-N281 PolarHBondContact O-OD1 3.46Å
278S98.7Very high98.5Very high0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-56-52.4176.7-176.80000111.1G177 L179 D274 I275 R280 N281 L282G177-S278 WeakPolarHBondContact O-CB 3.27Å; G177-S278 PolarHBondContact O-OG 2.72Å; L179-S278 WeakPolarHBondContact CD2-OG 3.4Å; D274-S278 WeakPolarHBondContact O-CB 2.89Å; D274-S278 PolarHBondContact O-N 3.29Å; I275-S278 PolarHBondContact O-N 3.38Å; S278-R280 PolarHBondContact O-N 3.2Å; S278-N281 PolarHBondContact O-N 3.34Å; S278-L282 WeakPolarHBondContact O-CB 3.25Å; S278-L282 WeakPolarHBondContact O-CG 3.48Å; S278-L282 PolarHBondContact O-N 3.3Å
279I98.6Very high98.4Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-68.2-37.2-177.7-60.3-51.1000112.4I275 T277 L282 K283 F289 L321 I323 I336 V351I275-I279 HydrophobicContact CG1-CD1 4.42Å; I275-I279 HydrophobicContact CG1-CG1 3.79Å; I275-I279 WeakPolarHBondContact O-CB 2.93Å; I275-I279 VanDerWaalsContact O-CG1 3.23Å; I275-I279 WeakPolarHBondContact O-CG1 3.27Å; I275-I279 PolarHBondContact O-N 2.81Å; T277-I279 PolarHBondContact O-N 3.45Å; I279-L282 HydrophobicContact CD1-CD1 4.3Å; I279-L282 PolarHBondContact O-N 2.89Å; I279-K283 HydrophobicContact CG2-CD 4.01Å; I279-K283 HydrophobicContact CG2-CG 4.33Å; I279-K283 WeakPolarHBondContact O-CB 3.11Å; I279-K283 WeakPolarHBondContact O-CG 3.48Å; I279-K283 PolarHBondContact O-N 2.98Å; I279-F289 HydrophobicContact CD1-CE1 3.71Å; I279-F289 HydrophobicContact CD1-CZ 3.76Å; I279-F289 HydrophobicContact CG2-CE2 4.45Å; I279-L321 HydrophobicContact CB-CD1 4.46Å; I279-L321 HydrophobicContact CG2-CB 4.06Å; I279-L321 HydrophobicContact CG2-CD2 4.35Å; I279-I323 HydrophobicContact CB-CD1 4.26Å; I279-I323 HydrophobicContact CG1-CD1 4Å; I279-I323 HydrophobicContact CG1-CG1 4.19Å; I279-I336 HydrophobicContact CD1-CG2 3.29Å; I279-I336 HydrophobicContact CG1-CG2 3.79Å; I279-I336 HydrophobicContact CG2-CD1 4.24Å; I279-V351 HydrophobicContact CD1-CB 3.8Å; I279-V351 HydrophobicContact CD1-CG1 3.95Å; I279-V351 HydrophobicContact CD1-CG2 3.88Å
280R98.7Very high98.1Very high110 Ų11038.5 Ų38.542%0.41520%0.202SC..Hα-helixtrans-57.6-50.1171.8-78.4177.6174.4-155.4-5.5111.2I276 T277 S278 L282 K283 E284 E320 L321I276-R280 WeakPolarHBondContact O-CB 3.16Å; I276-R280 WeakPolarHBondContact O-CG 3.33Å; I276-R280 PolarHBondContact O-N 3.42Å; I276-R280 VanDerWaalsContact O-N 3.09Å; T277-R280 PolarHBondContact O-N 3.02Å; S278-R280 PolarHBondContact O-N 3.2Å; R280-L282 PolarHBondContact O-N 3Å; R280-K283 PolarHBondContact O-N 3.21Å; R280-E284 WeakPolarHBondContact O-CB 3.45Å; R280-E284 PolarHBondContact O-N 3.29Å; R280-E320 IonicContact NH2-OE1 3.73Å; R280-E320 IonicContact NH2-OE2 2.84Å; R280-E320 PolarHBondContact NH2-OE2 3.21Å; R280-L321 HydrophobicContact CG-CD1 3.92Å; R280-L321 HydrophobicContact CG-CD2 3.63Å; R280-L321 HydrophobicContact CG-CG 4.4Å
281N98.7Very high97.5Very high24 Ų2442.8 Ų42.813%0.12823%0.228CC..Hα-helixtrans-66.7-39.3-178-66.4-1.8000112P175 C176 T277 S278 E284 R285P175-N281 HydrophobicContact CB-CB 3.94Å; P175-N281 HydrophobicContact CG-CB 4.08Å; C176-N281 WeakPolarHBondContact O-CB 3.5Å; C176-N281 PolarHBondContact O-ND2 2.81Å; T277-N281 WeakPolarHBondContact O-CB 3.39Å; T277-N281 PolarHBondContact O-N 3.08Å; T277-N281 PolarHBondContact O-OD1 3.46Å; S278-N281 PolarHBondContact O-N 3.34Å; N281-E284 PolarHBondContact O-N 3.36Å; N281-R285 VanDerWaalsContact O-CG 3.31Å; N281-R285 WeakPolarHBondContact O-CG 3.46Å; N281-R285 PolarHBondContact O-N 2.82Å
282L98.8Very high96.9Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-67-39.9176.7-69.4177.9000111.9K39 L40 S278 I279 R280 R285 G286 T287 F289 V351K39-L282 WeakPolarHBondContact O-CD2 3.31Å; L40-L282 HydrophobicContact CB-CD2 4.47Å; L40-L282 HydrophobicContact CD2-CD2 4.2Å; S278-L282 WeakPolarHBondContact O-CB 3.25Å; S278-L282 WeakPolarHBondContact O-CG 3.48Å; S278-L282 PolarHBondContact O-N 3.3Å; I279-L282 HydrophobicContact CD1-CD1 4.3Å; I279-L282 PolarHBondContact O-N 2.89Å; R280-L282 PolarHBondContact O-N 3Å; L282-R285 PolarHBondContact O-N 3.09Å; L282-G286 PolarHBondContact O-N 3.01Å; L282-T287 VanDerWaalsContact O-CB 3.24Å; L282-T287 WeakPolarHBondContact O-CB 3.44Å; L282-T287 PolarHBondContact O-N 3.04Å; L282-T287 PolarHBondContact O-OG1 3.45Å; L282-F289 HydrophobicContact CB-CE2 3.96Å; L282-F289 HydrophobicContact CB-CZ 3.75Å; L282-F289 HydrophobicContact CD1-CZ 3.94Å; L282-V351 HydrophobicContact CD1-CG2 3.87Å
283K98.6Very high96.3Very high74 Ų7446.3 Ų46.332%0.32225%0.252SS..Hα-helixtrans-65.2-39.9172.4-75.5175.7-178.1-87.30111.7I279 R280 R285 G286 F289 L321I279-K283 HydrophobicContact CG2-CD 4.01Å; I279-K283 HydrophobicContact CG2-CG 4.33Å; I279-K283 WeakPolarHBondContact O-CB 3.11Å; I279-K283 WeakPolarHBondContact O-CG 3.48Å; I279-K283 PolarHBondContact O-N 2.98Å; R280-K283 PolarHBondContact O-N 3.21Å; K283-R285 VanDerWaalsContact C-N 3.31Å; K283-R285 PolarHBondContact O-N 3.15Å; K283-G286 VanDerWaalsContact O-CA 3.28Å; K283-G286 WeakPolarHBondContact O-CA 3.14Å; K283-G286 PolarHBondContact O-N 2.82Å; K283-F289 HydrophobicContact CG-CD2 3.81Å; K283-F289 HydrophobicContact CG-CE2 3.82Å; K283-L321 HydrophobicContact CD-CD2 4.21Å; K283-L321 WeakPolarHBondContact CE-O 3.1Å
284E98.6Very high96Very high142 Ų14245.2 Ų45.266%0.66424%0.238SC*.Hα-helixtrans-63.6-35.6175.6-172.3178.7165.200112.2P175 R280 N281 G286P175-E284 HydrophobicContact CG-CB 4.34Å; P175-E284 HydrophobicContact CG-CG 4.34Å; R280-E284 WeakPolarHBondContact O-CB 3.45Å; R280-E284 PolarHBondContact O-N 3.29Å; N281-E284 PolarHBondContact O-N 3.36Å; E284-G286 PolarHBondContact O-N 2.77Å
285R98.6Very high95.6Very high24 Ų2446.6 Ų46.69%0.09125%0.248CC..THydrogen-bonded Turntrans-69.3-8.3169.4-70.9170.9173.1-92.82113.3C37 N38 K39 L174 P175 N281 L282 K283C37-R285 PolarHBondContact O-NH1 2.96Å; N38-R285 WeakPolarHBondContact O-CD 3.34Å; N38-R285 PolarHBondContact O-NH1 3.17Å; K39-R285 WeakPolarHBondContact CD-O 3.44Å; K39-R285 PolarHBondContact NZ-O 2.82Å; K39-R285 WeakPolarHBondContact O-CB 3.23Å; K39-R285 WeakPolarHBondContact O-CD 3.19Å; L174-R285 VanDerWaalsContact CD1-NH1 3.28Å; L174-R285 PolarHBondContact O-NH2 2.83Å; P175-R285 HydrophobicContact CG-CG 4.3Å; P175-R285 PolarHBondContact O-NE 2.94Å; P175-R285 PolarHBondContact O-NH2 3.09Å; N281-R285 VanDerWaalsContact O-CG 3.31Å; N281-R285 WeakPolarHBondContact O-CG 3.46Å; N281-R285 PolarHBondContact O-N 2.82Å; L282-R285 PolarHBondContact O-N 3.09Å; K283-R285 VanDerWaalsContact C-N 3.31Å; K283-R285 PolarHBondContact O-N 3.15Å
286G98.4Very high95.2Very high37 Ų3747.5 Ų47.538%0.38125%0.252SS..THydrogen-bonded Turntrans77.435.9-179.100000113.3K39 L282 K283 E284K39-G286 PolarHBondContact NZ-O 3.16Å; K39-G286 VanDerWaalsContact NZ-O 3.08Å; L282-G286 PolarHBondContact O-N 3.01Å; K283-G286 VanDerWaalsContact O-CA 3.28Å; K283-G286 WeakPolarHBondContact O-CA 3.14Å; K283-G286 PolarHBondContact O-N 2.82Å; E284-G286 PolarHBondContact O-N 2.77Å
287T98.5Very high94.9Very high8 Ų846 Ų465%0.04924%0.244CC..  trans-77.7130163.1-61.30000109.1K39 L40 L282 F289 T338K39-T287 PolarHBondContact O-OG1 2.83Å; L40-T287 HydrophobicContact CD2-CG2 3.96Å; L282-T287 VanDerWaalsContact O-CB 3.24Å; L282-T287 WeakPolarHBondContact O-CB 3.44Å; L282-T287 PolarHBondContact O-N 3.04Å; L282-T287 PolarHBondContact O-OG1 3.45Å; T287-F289 HydrophobicContact CG2-CD2 4.37Å; T287-F289 HydrophobicContact CG2-CE1 4.47Å; T287-F289 HydrophobicContact CG2-CE2 3.75Å; T287-F289 HydrophobicContact CG2-CZ 3.81Å; T287-F289 WeakPolarHBondContact O-CD2 3.18Å; T287-T338 HydrophobicContact CG2-CG2 3.84Å
288E97.5Very high94.7Very high117 Ų11748.3 Ų48.355%0.54726%0.255SS..  trans-88.9140.3176.1-68.7-175.97300111.3T338 K339E288-T338 CarbonylContact O-C 3.56Å; E288-T338 VanDerWaalsContact O-CA 3.24Å; E288-T338 WeakPolarHBondContact O-CA 3.4Å; E288-T338 WeakPolarHBondContact O-CB 3.36Å; E288-K339 HydrophobicContact CB-CB 4.22Å; E288-K339 HydrophobicContact CB-CD 3.96Å; E288-K339 HydrophobicContact CB-CG 4.12Å; E288-K339 PolarHBondContact O-N 3.48Å; E288-K339 IonicContact OE1-NZ 3.68Å; E288-K339 PolarHBondContact OE1-NZ 3.14Å
289F96.3Very high94.3Very high11 Ų1153.5 Ų53.55%0.04828%0.279CS..BIsolated β-bridgetrans-121.5150178.3-65.6-92000110.2I279 L282 K283 T287 I336 F337 T338 V351I279-F289 HydrophobicContact CD1-CE1 3.71Å; I279-F289 HydrophobicContact CD1-CZ 3.76Å; I279-F289 HydrophobicContact CG2-CE2 4.45Å; L282-F289 HydrophobicContact CB-CE2 3.96Å; L282-F289 HydrophobicContact CB-CZ 3.75Å; L282-F289 HydrophobicContact CD1-CZ 3.94Å; K283-F289 HydrophobicContact CG-CD2 3.81Å; K283-F289 HydrophobicContact CG-CE2 3.82Å; T287-F289 HydrophobicContact CG2-CD2 4.37Å; T287-F289 HydrophobicContact CG2-CE1 4.47Å; T287-F289 HydrophobicContact CG2-CE2 3.75Å; T287-F289 HydrophobicContact CG2-CZ 3.81Å; T287-F289 WeakPolarHBondContact O-CD2 3.18Å; F289-I336 HydrophobicContact CB-CD1 3.77Å; F289-I336 HydrophobicContact CB-CG1 4.15Å; F289-I336 HydrophobicContact CD1-CB 4.46Å; F289-I336 HydrophobicContact CD1-CD1 3.75Å; F289-I336 HydrophobicContact CD1-CG1 3.79Å; F289-I336 HydrophobicContact CD1-CG2 3.99Å; F289-I336 HydrophobicContact CE1-CG2 4.01Å; F289-I336 HydrophobicContact CG-CD1 3.84Å; F289-I336 HydrophobicContact CG-CG1 4.27Å; F289-F337 CarbonylContact C-O 3.54Å; F289-F337 VanDerWaalsContact CA-O 3.3Å; F289-F337 WeakPolarHBondContact CA-O 3.2Å; F289-F337 WeakPolarHBondContact CB-O 3.5Å; F289-F337 WeakPolarHBondContact CD1-O 3.4Å; F289-T338 HydrophobicContact CD1-CG2 4.12Å; F289-T338 HydrophobicContact CE1-CG2 3.82Å; F289-T338 HydrophobicContact CZ-CG2 4.41Å; F289-V351 HydrophobicContact CE1-CG2 4.47Å
290M92.5Very high94Very high13 Ų1353.8 Ų53.86%0.06428%0.28CS..  trans-63.6155.8168-63.4-178.4-178.600109.9F337 F348 A371 I372M290-F337 HydrophobicContact CG-CB 4.34Å; M290-F337 PolarHBondContact N-O 2.8Å; M290-F337 HydrophobicContact SD-CB 3.91Å; M290-F337 HydrophobicContact SD-CD2 4.28Å; M290-F348 HydrophobicContact CE-CG 4.5Å; M290-A371 HydrophobicContact CB-CB 4.42Å; M290-I372 HydrophobicContact CE-CG1 4.15Å; M290-I372 HydrophobicContact SD-CB 4.42Å; M290-I372 HydrophobicContact SD-CG1 3.63Å
291T87.4Confident93.8Very high91 Ų9151 Ų5156%0.55827%0.27SS*.  trans-125.5146.2-174.458.60000111.2K322T291-K322 HydrophobicContact CG2-CG 4.38Å
292V84.8Confident93.6Very high12 Ų1254.7 Ų54.77%0.07329%0.286CS..  trans-113.5153.2168.2-71.50000111.1Y296 Y297 L324 A371V292-Y296 HydrophobicContact CG2-CD1 4.12Å; V292-Y296 HydrophobicContact CG2-CG 4.33Å; V292-Y297 HydrophobicContact CG2-CE2 3.83Å; V292-L324 HydrophobicContact CB-CD2 4.22Å; V292-L324 HydrophobicContact CG1-CD1 4.41Å; V292-L324 HydrophobicContact CG1-CD2 3.75Å; V292-L324 HydrophobicContact CG2-CD2 3.6Å; V292-A371 HydrophobicContact CG1-CB 3.73Å
293P86.6Confident93.2Very high83 Ų8360.5 Ų60.554%0.53931%0.312SS..  trans-64.6150.117728-36.1000111.5T295 Y296P293-T295 PolarHBondContact O-N 3.15Å; P293-T295 VanDerWaalsContact O-N 3.13Å; P293-Y296 VanDerWaalsContact O-CB 3.27Å; P293-Y296 WeakPolarHBondContact O-CB 3.43Å; P293-Y296 PolarHBondContact O-N 2.98Å
294D90.1Very high92.9Very high82 Ų8258.2 Ų58.244%0.43930%0.303SS..THydrogen-bonded Turntrans-60.2-27.1-179.4-73.7-28.8000113.2Y296 Y297 D298 Q319 K322D294-Y296 PolarHBondContact O-N 2.87Å; D294-Y296 VanDerWaalsContact O-N 3.11Å; D294-Y297 WeakPolarHBondContact O-CB 3.38Å; D294-Y297 PolarHBondContact O-N 3.26Å; D294-D298 PolarHBondContact O-N 3.23Å; D294-Q319 PolarHBondContact OD1-NE2 3.21Å; D294-K322 IonicContact OD1-NZ 3.78Å; D294-K322 PolarHBondContact OD1-NZ 3.38Å
295T89.8Confident92.7Very high78 Ų7857.9 Ų57.948%0.47930%0.299SS..Hα-helixtrans-58-24.3175.1540000113.4P293 Y297 Q299P293-T295 PolarHBondContact O-N 3.15Å; P293-T295 VanDerWaalsContact O-N 3.13Å; T295-Y297 VanDerWaalsContact C-N 3.33Å; T295-Q299 VanDerWaalsContact O-CG 3.31Å; T295-Q299 WeakPolarHBondContact O-CG 3.41Å; T295-Q299 PolarHBondContact O-N 3.14Å; T295-Q299 VanDerWaalsContact O-N 3.12Å
296Y90.4Very high92.2Very high21 Ų2164.9 Ų64.98%0.08233%0.332CS..Hα-helixtrans-59.4-44.3171167.9-96.3000111.5V292 P293 D294 Q299 L300 L324 V325 N364 S367V292-Y296 HydrophobicContact CG2-CD1 4.12Å; V292-Y296 HydrophobicContact CG2-CG 4.33Å; P293-Y296 VanDerWaalsContact O-CB 3.27Å; P293-Y296 WeakPolarHBondContact O-CB 3.43Å; P293-Y296 PolarHBondContact O-N 2.98Å; D294-Y296 PolarHBondContact O-N 2.87Å; D294-Y296 VanDerWaalsContact O-N 3.11Å; Y296-Q299 PolarHBondContact O-N 3.32Å; Y296-L300 HydrophobicContact CE1-CD2 4.18Å; Y296-L300 WeakPolarHBondContact O-CB 3.31Å; Y296-L300 PolarHBondContact O-N 2.95Å; Y296-L324 HydrophobicContact CD1-CD2 3.95Å; Y296-L324 HydrophobicContact CD2-CD2 4.36Å; Y296-L324 HydrophobicContact CE1-CD2 3.5Å; Y296-L324 HydrophobicContact CE2-CD2 3.95Å; Y296-L324 HydrophobicContact CG-CD2 4.36Å; Y296-L324 VanDerWaalsContact CZ-CD2 3.49Å; Y296-V325 PolarHBondContact OH-N 2.9Å; Y296-V325 PolarHBondContact OH-O 3.27Å; Y296-V325 VanDerWaalsContact OH-O 3.12Å; Y296-N364 PolarHBondContact OH-OD1 3.1Å; Y296-S367 WeakPolarHBondContact CD2-OG 3.5Å; Y296-S367 WeakPolarHBondContact CE2-OG 3.3Å
297Y93Very high91.7Very high0 Ų064.6 Ų64.60%033%0.325CS..Hα-helixtrans-74.3-30.4-176.1-66.5-77.3000112.9V292 D294 T295 L300 R301 L318 Q319 K322 I323V292-Y297 HydrophobicContact CG2-CE2 3.83Å; D294-Y297 WeakPolarHBondContact O-CB 3.38Å; D294-Y297 PolarHBondContact O-N 3.26Å; T295-Y297 VanDerWaalsContact C-N 3.33Å; Y297-L300 HydrophobicContact CD1-CD2 4.34Å; Y297-R301 WeakPolarHBondContact O-CB 3.39Å; Y297-R301 WeakPolarHBondContact O-CG 3.49Å; Y297-R301 PolarHBondContact O-N 3.09Å; Y297-R301 PolarHBondContact O-NH1 3.14Å; Y297-L318 PolarHBondContact OH-O 3.43Å; Y297-Q319 HydrophobicContact CD1-CB 3.68Å; Y297-Q319 HydrophobicContact CD1-CG 4.29Å; Y297-Q319 HydrophobicContact CD2-CB 3.78Å; Y297-Q319 HydrophobicContact CD2-CG 3.46Å; Y297-Q319 VanDerWaalsContact CD2-CG 3.46Å; Y297-Q319 HydrophobicContact CE1-CB 4.01Å; Y297-Q319 HydrophobicContact CE2-CB 4.09Å; Y297-Q319 HydrophobicContact CE2-CG 3.97Å; Y297-Q319 HydrophobicContact CG-CB 3.56Å; Y297-Q319 HydrophobicContact CG-CG 3.65Å; Y297-K322 HydrophobicContact CE2-CD 4.39Å; Y297-K322 WeakPolarHBondContact OH-CA 3.4Å; Y297-I323 VanDerWaalsContact CE1-O 3.25Å; Y297-I323 WeakPolarHBondContact CE1-O 3.18Å; Y297-I323 PolarHBondContact OH-N 3.45Å; Y297-I323 VanDerWaalsContact OH-N 3.11Å; Y297-I323 PolarHBondContact OH-O 3.44Å
298D93.6Very high91.3Very high88 Ų8872.9 Ų72.947%0.47136%0.36SS..Hα-helixtrans-62.9-50.2170.2-61.3-31000109.9D294 L300 R301 E302D294-D298 PolarHBondContact O-N 3.23Å; D298-L300 VanDerWaalsContact C-N 3.34Å; D298-L300 PolarHBondContact O-N 3.04Å; D298-R301 PolarHBondContact O-N 2.92Å; D298-E302 PolarHBondContact O-N 3.24Å; D298-E302 VanDerWaalsContact O-N 3.1Å
299Q91.6Very high90.9Very high108 Ų10868.2 Ų68.251%0.50534%0.339SS..Hα-helixtrans-62.8-40.1176.8-68.8174.520.500112.2T295 Y296 E302 K303T295-Q299 VanDerWaalsContact O-CG 3.31Å; T295-Q299 WeakPolarHBondContact O-CG 3.41Å; T295-Q299 PolarHBondContact O-N 3.14Å; T295-Q299 VanDerWaalsContact O-N 3.12Å; Y296-Q299 PolarHBondContact O-N 3.32Å; Q299-E302 PolarHBondContact O-N 3.03Å; Q299-K303 VanDerWaalsContact O-CG 3.3Å; Q299-K303 WeakPolarHBondContact O-CG 3.29Å; Q299-K303 PolarHBondContact O-N 2.72Å
300L92Very high90.7Very high7 Ų776.6 Ų76.64%0.03738%0.376CS..Hα-helixtrans-60.4-45.9176.1176.264.4000111.2Y296 Y297 D298 E302 K303 L304 L315 V325 Y327Y296-L300 HydrophobicContact CE1-CD2 4.18Å; Y296-L300 WeakPolarHBondContact O-CB 3.31Å; Y296-L300 PolarHBondContact O-N 2.95Å; Y297-L300 HydrophobicContact CD1-CD2 4.34Å; D298-L300 VanDerWaalsContact C-N 3.34Å; D298-L300 PolarHBondContact O-N 3.04Å; L300-E302 VanDerWaalsContact C-N 3.35Å; L300-E302 PolarHBondContact O-N 2.87Å; L300-K303 PolarHBondContact O-N 3.41Å; L300-L304 HydrophobicContact CD1-CD1 3.97Å; L300-L304 HydrophobicContact CD1-CG 4.07Å; L300-L304 HydrophobicContact CG-CD1 3.91Å; L300-L304 HydrophobicContact CG-CG 4.4Å; L300-L304 WeakPolarHBondContact O-CB 3.43Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 3.4Å; L300-L315 HydrophobicContact CD2-CD2 4.47Å; L300-V325 HydrophobicContact CD1-CB 4.13Å; L300-V325 HydrophobicContact CD1-CG1 4.47Å; L300-V325 HydrophobicContact CD2-CB 3.74Å; L300-V325 HydrophobicContact CD2-CG2 3.66Å; L300-Y327 HydrophobicContact CD1-CE1 4.01Å
301R94.9Very high90.9Very high51 Ų5177.3 Ų77.319%0.19238%0.379CS..Hα-helixtrans-58.1-46.7176.2-81.7162.9177.759.1-6.3111.6Y297 D298 L304 K305 L315 D316Y297-R301 WeakPolarHBondContact O-CB 3.39Å; Y297-R301 WeakPolarHBondContact O-CG 3.49Å; Y297-R301 PolarHBondContact O-N 3.09Å; Y297-R301 PolarHBondContact O-NH1 3.14Å; D298-R301 PolarHBondContact O-N 2.92Å; R301-L304 PolarHBondContact O-N 3.47Å; R301-K305 WeakPolarHBondContact O-CG 3.5Å; R301-K305 PolarHBondContact O-N 2.95Å; R301-L315 HydrophobicContact CG-CD1 3.88Å; R301-L315 VanDerWaalsContact CZ-CB 3.48Å; R301-L315 VanDerWaalsContact NH2-CB 3.31Å; R301-L315 PolarHBondContact NH2-O 3.36Å; R301-D316 IonicContact CZ-OD1 2.91Å; R301-D316 IonicContact NE-OD1 3.59Å; R301-D316 VanDerWaalsContact NH2-N 3.12Å; R301-D316 IonicContact NH2-OD1 3.31Å; R301-D316 PolarHBondContact NH2-OD1 2.88Å
302E94.1Very high91.3Very high101 Ų10177 Ų7747%0.47239%0.386SS..Hα-helixtrans-62.5-44.2177.5-66.3-50.6131.300112.2D298 Q299 L300 L304 K305 H306D298-E302 PolarHBondContact O-N 3.24Å; D298-E302 VanDerWaalsContact O-N 3.1Å; Q299-E302 PolarHBondContact O-N 3.03Å; L300-E302 VanDerWaalsContact C-N 3.35Å; L300-E302 PolarHBondContact O-N 2.87Å; E302-L304 VanDerWaalsContact C-N 3.35Å; E302-L304 PolarHBondContact O-N 3.05Å; E302-K305 WeakPolarHBondContact O-CB 3.33Å; E302-K305 PolarHBondContact O-N 2.79Å; E302-K305 WeakPolarHBondContact OE1-CE 3.41Å; E302-K305 IonicContact OE1-NZ 3.36Å; E302-K305 PolarHBondContact OE1-NZ 2.85Å; E302-K305 WeakPolarHBondContact OE2-CE 3.41Å; E302-K305 IonicContact OE2-NZ 2.62Å; E302-K305 PolarHBondContact OE2-NZ 3.25Å; E302-H306 PolarHBondContact O-CD2 2.82Å
303K90.8Very high91.9Very high123 Ų12377.9 Ų77.954%0.53539%0.39SS..Hα-helixtrans-63.9-38.7177.5-68.5173.7-177.9174.90112.4Q299 L300 K305 H306 S307 Y327Q299-K303 VanDerWaalsContact O-CG 3.3Å; Q299-K303 WeakPolarHBondContact O-CG 3.29Å; Q299-K303 PolarHBondContact O-N 2.72Å; L300-K303 PolarHBondContact O-N 3.41Å; K303-K305 VanDerWaalsContact C-N 3.3Å; K303-K305 PolarHBondContact O-N 3.26Å; K303-H306 PolarHBondContact O-N 3.02Å; K303-H306 VanDerWaalsContact O-N 3.17Å; K303-S307 PolarHBondContact O-N 3.31Å; K303-Y327 VanDerWaalsContact CB-OH 3.27Å; K303-Y327 WeakPolarHBondContact CB-OH 3.31Å
304L91.8Very high92.5Very high25 Ų2578.1 Ų78.113%0.13139%0.386CS..Hα-helixtrans-67.2-26.8179.3-75173.3000113.2L300 R301 E302 H306 S307 I311 L315 Y327L300-L304 HydrophobicContact CD1-CD1 3.97Å; L300-L304 HydrophobicContact CD1-CG 4.07Å; L300-L304 HydrophobicContact CG-CD1 3.91Å; L300-L304 HydrophobicContact CG-CG 4.4Å; L300-L304 WeakPolarHBondContact O-CB 3.43Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 3.4Å; R301-L304 PolarHBondContact O-N 3.47Å; E302-L304 VanDerWaalsContact C-N 3.35Å; E302-L304 PolarHBondContact O-N 3.05Å; L304-H306 PolarHBondContact O-N 2.88Å; L304-H306 VanDerWaalsContact O-N 3.16Å; L304-S307 PolarHBondContact O-N 3.35Å; L304-S307 VanDerWaalsContact O-N 3.1Å; L304-I311 HydrophobicContact CD1-CG1 3.8Å; L304-I311 HydrophobicContact CD2-CD1 4.36Å; L304-I311 HydrophobicContact CD2-CG1 3.97Å; L304-L315 HydrophobicContact CD1-CD1 3.8Å; L304-L315 HydrophobicContact CD1-CD2 4.02Å; L304-Y327 HydrophobicContact CD2-CD1 3.95Å; L304-Y327 HydrophobicContact CD2-CE1 3.64Å; L304-Y327 HydrophobicContact CD2-CE2 4.47Å; L304-Y327 HydrophobicContact CD2-CG 4.48Å; L304-Y327 HydrophobicContact CG-CE1 4.26Å
305K93.3Very high92.8Very high135 Ų13576 Ų7659%0.58738%0.375SS*.Hα-helixtrans-58.4-27.1172.6-68.6175.5-170.1170.50112.8R301 E302 K303R301-K305 WeakPolarHBondContact O-CG 3.5Å; R301-K305 PolarHBondContact O-N 2.95Å; E302-K305 WeakPolarHBondContact O-CB 3.33Å; E302-K305 PolarHBondContact O-N 2.79Å; E302-K305 WeakPolarHBondContact OE1-CE 3.41Å; E302-K305 IonicContact OE1-NZ 3.36Å; E302-K305 PolarHBondContact OE1-NZ 2.85Å; E302-K305 WeakPolarHBondContact OE2-CE 3.41Å; E302-K305 IonicContact OE2-NZ 2.62Å; E302-K305 PolarHBondContact OE2-NZ 3.25Å; K303-K305 VanDerWaalsContact C-N 3.3Å; K303-K305 PolarHBondContact O-N 3.26Å
306H89.7Confident93.2Very high171 Ų17177 Ų7779%0.79238%0.378SS*.THydrogen-bonded Turntrans-104.51.3-179.4-58.5-64.8000113.2E302 K303 L304E302-H306 PolarHBondContact O-CD2 2.82Å; K303-H306 PolarHBondContact O-N 3.02Å; K303-H306 VanDerWaalsContact O-N 3.17Å; L304-H306 PolarHBondContact O-N 2.88Å; L304-H306 VanDerWaalsContact O-N 3.16Å
307S87.8Confident93.6Very high31 Ų3177.3 Ų77.322%0.21738%0.381CS..  trans-93.8150.7179.8-173.20000111.8K303 L304 V309 Y327K303-S307 PolarHBondContact O-N 3.31Å; L304-S307 PolarHBondContact O-N 3.35Å; L304-S307 VanDerWaalsContact O-N 3.1Å; S307-V309 PolarHBondContact OG-N 3.34Å; S307-Y327 WeakPolarHBondContact OG-CD2 3.28Å; S307-Y327 WeakPolarHBondContact OG-CE2 3.44Å
308K88.4Confident93.8Very high183 Ų18377.3 Ų77.380%0.79638%0.381SS*.SBendtrans-81.4-22.4170.8-67.1179.2-178171.70112.4
309V90.4Very high93.9Very high18 Ų1875 Ų7511%0.10937%0.367CS..  trans-71.8136.7177.6146.80000110.2S307 I311 Y327 D328 Y332S307-V309 PolarHBondContact OG-N 3.34Å; V309-I311 HydrophobicContact CG1-CD1 3.69Å; V309-Y327 HydrophobicContact CB-CD2 4.39Å; V309-Y327 HydrophobicContact CG1-CG 4.25Å; V309-D328 WeakPolarHBondContact CG2-O 3.08Å; V309-Y332 HydrophobicContact CG1-CD1 4.01Å; V309-Y332 HydrophobicContact CG1-CG 4.41Å
310K92.2Very high94.2Very high187 Ų18775.3 Ų75.381%0.81337%0.369SS*.  trans-110.8117.9171.2-65.2-173.6179.3-176.70108.9A312 Y332K310-A312 PolarHBondContact O-N 3.41Å; K310-Y332 WeakPolarHBondContact O-CE1 3.14Å
311I95.7Very high94.5Very high28 Ų2875.3 Ų75.314%0.14437%0.369CS..  trans-73.3122.5171.5-50.1-55.7000107.4L304 V309 E313 L315 L318 V325 Y332L304-I311 HydrophobicContact CD1-CG1 3.8Å; L304-I311 HydrophobicContact CD2-CD1 4.36Å; L304-I311 HydrophobicContact CD2-CG1 3.97Å; V309-I311 HydrophobicContact CG1-CD1 3.69Å; I311-E313 HydrophobicContact CG2-CB 4.3Å; I311-L315 HydrophobicContact CB-CD2 4.12Å; I311-L315 HydrophobicContact CG1-CD2 4.3Å; I311-L315 HydrophobicContact CG2-CD2 4.01Å; I311-L318 HydrophobicContact CG2-CD1 4.11Å; I311-V325 HydrophobicContact CD1-CG1 3.52Å; I311-V325 HydrophobicContact CG1-CG1 4.03Å; I311-Y332 HydrophobicContact CD1-CD1 3.79Å; I311-Y332 HydrophobicContact CD1-CD2 3.59Å; I311-Y332 HydrophobicContact CD1-CE1 4.29Å; I311-Y332 HydrophobicContact CD1-CE2 4.09Å; I311-Y332 HydrophobicContact CD1-CG 3.41Å; I311-Y332 VanDerWaalsContact CD1-CG 3.41Å; I311-Y332 HydrophobicContact CG2-CD2 4.42Å; I311-Y332 HydrophobicContact CG2-CE2 3.96Å
312A96.7Very high94.5Very high85 Ų8575 Ų7570%0.70237%0.369SS*.  trans-75.9-32.1-178.100000112.1K310 Y332K310-A312 PolarHBondContact O-N 3.41Å; A312-Y332 VanDerWaalsContact CB-OH 3.24Å; A312-Y332 WeakPolarHBondContact CB-OH 3.48Å; A312-Y332 PolarHBondContact N-OH 2.78Å
313E97.9Very high94.6Very high31 Ų3170.1 Ų70.115%0.14535%0.346CS..SBendtrans-71.5147.4177.7-69.779.2-176.100112.1I276 I311 L315 L318 Y332 L334 Q353 H355I276-E313 HydrophobicContact CD1-CB 3.86Å; I276-E313 HydrophobicContact CD1-CG 3.85Å; I276-E313 HydrophobicContact CG1-CG 4.39Å; I311-E313 HydrophobicContact CG2-CB 4.3Å; E313-L315 PolarHBondContact O-N 2.81Å; E313-L318 HydrophobicContact CB-CD1 4.12Å; E313-L318 HydrophobicContact CB-CD2 3.97Å; E313-L318 HydrophobicContact CB-CG 4.18Å; E313-L318 HydrophobicContact CG-CD2 4.48Å; E313-Y332 VanDerWaalsContact OE2-CE2 3.24Å; E313-Y332 WeakPolarHBondContact OE2-CE2 3.48Å; E313-Y332 PolarHBondContact OE2-OH 3.11Å; E313-L334 HydrophobicContact CB-CD1 4.41Å; E313-L334 VanDerWaalsContact CD-CD1 3.44Å; E313-L334 HydrophobicContact CG-CD1 3.79Å; E313-Q353 PolarHBondContact OE1-NE2 2.93Å; E313-H355 IonicContact OE1-CD2 3.78Å; E313-H355 IonicContact OE1-CE1 2.67Å; E313-H355 IonicContact OE1-NE2 3.3Å; E313-H355 PolarHBondContact OE1-NE2 3.16Å; E313-H355 IonicContact OE2-NE2 2.82Å
314N97.6Very high94.7Very high87 Ų8764.6 Ų64.647%0.46532%0.322SS..  trans-68.7117.1176.5-177.3-35.9000110.2D316 V317 L318N314-D316 PolarHBondContact O-N 2.92Å; N314-D316 WeakPolarHBondContact OD1-CA 3.38Å; N314-D316 VanDerWaalsContact OD1-CB 3.3Å; N314-D316 WeakPolarHBondContact OD1-CB 3.15Å; N314-D316 PolarHBondContact OD1-N 2.91Å; N314-V317 HydrophobicContact CB-CB 4.24Å; N314-V317 HydrophobicContact CB-CG2 3.91Å; N314-V317 WeakPolarHBondContact O-CB 3.11Å; N314-V317 PolarHBondContact O-N 2.85Å; N314-L318 WeakPolarHBondContact O-CG 3.09Å; N314-L318 PolarHBondContact O-N 3.35Å
315L96.9Very high94.8Very high37 Ų3763.5 Ų63.519%0.19432%0.317CS..Hα-helixtrans-62-26.3-177.8-62-179.2000113.9L300 R301 L304 I311 E313 L318 Q319L300-L315 HydrophobicContact CD2-CD2 4.47Å; R301-L315 HydrophobicContact CG-CD1 3.88Å; R301-L315 VanDerWaalsContact CZ-CB 3.48Å; R301-L315 VanDerWaalsContact NH2-CB 3.31Å; R301-L315 PolarHBondContact NH2-O 3.36Å; L304-L315 HydrophobicContact CD1-CD1 3.8Å; L304-L315 HydrophobicContact CD1-CD2 4.02Å; I311-L315 HydrophobicContact CB-CD2 4.12Å; I311-L315 HydrophobicContact CG1-CD2 4.3Å; I311-L315 HydrophobicContact CG2-CD2 4.01Å; E313-L315 PolarHBondContact O-N 2.81Å; L315-L318 HydrophobicContact CD2-CD1 3.99Å; L315-Q319 WeakPolarHBondContact O-CB 3.45Å; L315-Q319 PolarHBondContact O-N 3.17Å
316D97.9Very high94.6Very high101 Ų10157.7 Ų57.754%0.5429%0.292SS..Hα-helixtrans-71-37.5175.5-59.4-33000110.1R301 N314 Q319 E320R301-D316 IonicContact CZ-OD1 2.91Å; R301-D316 IonicContact NE-OD1 3.59Å; R301-D316 VanDerWaalsContact NH2-N 3.12Å; R301-D316 IonicContact NH2-OD1 3.31Å; R301-D316 PolarHBondContact NH2-OD1 2.88Å; N314-D316 PolarHBondContact O-N 2.92Å; N314-D316 WeakPolarHBondContact OD1-CA 3.38Å; N314-D316 VanDerWaalsContact OD1-CB 3.3Å; N314-D316 WeakPolarHBondContact OD1-CB 3.15Å; N314-D316 PolarHBondContact OD1-N 2.91Å; D316-Q319 PolarHBondContact O-N 3.12Å; D316-E320 WeakPolarHBondContact O-CB 3.36Å; D316-E320 PolarHBondContact O-N 3.18Å
317V98.2Very high94.6Very high26 Ų2652.2 Ų52.216%0.15827%0.265CS..Hα-helixtrans-70-38.5174.6-179.40000110.9I276 N314 Q319 E320 L321I276-V317 HydrophobicContact CB-CG1 4.5Å; I276-V317 HydrophobicContact CD1-CB 4.26Å; I276-V317 HydrophobicContact CD1-CG1 3.85Å; I276-V317 HydrophobicContact CG1-CG1 4.06Å; I276-V317 HydrophobicContact CG2-CG1 3.66Å; N314-V317 HydrophobicContact CB-CB 4.24Å; N314-V317 HydrophobicContact CB-CG2 3.91Å; N314-V317 WeakPolarHBondContact O-CB 3.11Å; N314-V317 PolarHBondContact O-N 2.85Å; V317-Q319 VanDerWaalsContact C-N 3.28Å; V317-Q319 PolarHBondContact O-N 3.12Å; V317-E320 WeakPolarHBondContact O-CB 3.47Å; V317-E320 PolarHBondContact O-N 3.28Å; V317-L321 HydrophobicContact CG1-CD1 3.88Å; V317-L321 HydrophobicContact CG1-CG 4.38Å; V317-L321 WeakPolarHBondContact O-CB 3.27Å; V317-L321 WeakPolarHBondContact O-CG 3.25Å; V317-L321 PolarHBondContact O-N 3.06Å
318L97.7Very high94.5Very high0 Ų053.7 Ų53.70%027%0.271CS..Hα-helixtrans-61.2-40173.2-60.8-176000111.3I276 Y297 I311 E313 N314 L315 L321 K322 I323 V325 L334I276-L318 HydrophobicContact CD1-CD2 4.25Å; I276-L318 HydrophobicContact CG1-CD2 4.05Å; Y297-L318 PolarHBondContact OH-O 3.43Å; I311-L318 HydrophobicContact CG2-CD1 4.11Å; E313-L318 HydrophobicContact CB-CD1 4.12Å; E313-L318 HydrophobicContact CB-CD2 3.97Å; E313-L318 HydrophobicContact CB-CG 4.18Å; E313-L318 HydrophobicContact CG-CD2 4.48Å; N314-L318 WeakPolarHBondContact O-CG 3.09Å; N314-L318 PolarHBondContact O-N 3.35Å; L315-L318 HydrophobicContact CD2-CD1 3.99Å; L318-L321 PolarHBondContact O-N 3.28Å; L318-K322 PolarHBondContact O-N 3.06Å; L318-I323 HydrophobicContact CB-CB 4.37Å; L318-I323 HydrophobicContact CD2-CB 4.07Å; L318-I323 HydrophobicContact CD2-CD1 3.95Å; L318-I323 HydrophobicContact CD2-CG2 4.03Å; L318-I323 PolarHBondContact O-N 2.91Å; L318-V325 HydrophobicContact CD1-CG2 3.56Å; L318-L334 HydrophobicContact CD1-CD2 4Å; L318-L334 HydrophobicContact CD2-CD1 4.34Å
319Q97.1Very high94.2Very high39 Ų3951.6 Ų51.618%0.18227%0.268CS..Hα-helixtrans-67.3-41.7175.6175.8168.2-0.300113.5D294 Y297 L315 D316 V317 L321 K322D294-Q319 PolarHBondContact OD1-NE2 3.21Å; Y297-Q319 HydrophobicContact CD1-CB 3.68Å; Y297-Q319 HydrophobicContact CD1-CG 4.29Å; Y297-Q319 HydrophobicContact CD2-CB 3.78Å; Y297-Q319 HydrophobicContact CD2-CG 3.46Å; Y297-Q319 VanDerWaalsContact CD2-CG 3.46Å; Y297-Q319 HydrophobicContact CE1-CB 4.01Å; Y297-Q319 HydrophobicContact CE2-CB 4.09Å; Y297-Q319 HydrophobicContact CE2-CG 3.97Å; Y297-Q319 HydrophobicContact CG-CB 3.56Å; Y297-Q319 HydrophobicContact CG-CG 3.65Å; L315-Q319 WeakPolarHBondContact O-CB 3.45Å; L315-Q319 PolarHBondContact O-N 3.17Å; D316-Q319 PolarHBondContact O-N 3.12Å; V317-Q319 VanDerWaalsContact C-N 3.28Å; V317-Q319 PolarHBondContact O-N 3.12Å; Q319-L321 VanDerWaalsContact C-N 3.29Å; Q319-L321 PolarHBondContact O-N 3.15Å; Q319-K322 WeakPolarHBondContact O-CD 3.48Å; Q319-K322 WeakPolarHBondContact O-CE 3.49Å; Q319-K322 PolarHBondContact O-N 2.83Å; Q319-K322 PolarHBondContact O-NZ 3.19Å; Q319-K322 VanDerWaalsContact O-NZ 3.12Å
320E97.2Very high94Very high116 Ų11658.9 Ų58.954%0.54230%0.298SS..Hα-helixtrans-56.6-46.2173.3-176.8-161.4167.400110.5R280 D316 V317 K322R280-E320 IonicContact NH2-OE1 3.73Å; R280-E320 IonicContact NH2-OE2 2.84Å; R280-E320 PolarHBondContact NH2-OE2 3.21Å; D316-E320 WeakPolarHBondContact O-CB 3.36Å; D316-E320 PolarHBondContact O-N 3.18Å; V317-E320 WeakPolarHBondContact O-CB 3.47Å; V317-E320 PolarHBondContact O-N 3.28Å; E320-K322 VanDerWaalsContact C-N 3.33Å; E320-K322 PolarHBondContact O-N 2.9Å
321L97.3Very high94Very high6 Ų650.2 Ų50.23%0.03126%0.262CS..Hα-helixtrans-84.2-6.3-175.5-62.6176.5000114.2I276 I279 R280 K283 V317 L318 Q319 I323 I336I276-L321 HydrophobicContact CB-CD1 4.33Å; I276-L321 HydrophobicContact CG1-CD1 4.41Å; I276-L321 HydrophobicContact CG2-CD1 4.03Å; I279-L321 HydrophobicContact CB-CD1 4.46Å; I279-L321 HydrophobicContact CG2-CB 4.06Å; I279-L321 HydrophobicContact CG2-CD2 4.35Å; R280-L321 HydrophobicContact CG-CD1 3.92Å; R280-L321 HydrophobicContact CG-CD2 3.63Å; R280-L321 HydrophobicContact CG-CG 4.4Å; K283-L321 HydrophobicContact CD-CD2 4.21Å; K283-L321 WeakPolarHBondContact CE-O 3.1Å; V317-L321 HydrophobicContact CG1-CD1 3.88Å; V317-L321 HydrophobicContact CG1-CG 4.38Å; V317-L321 WeakPolarHBondContact O-CB 3.27Å; V317-L321 WeakPolarHBondContact O-CG 3.25Å; V317-L321 PolarHBondContact O-N 3.06Å; L318-L321 PolarHBondContact O-N 3.28Å; Q319-L321 VanDerWaalsContact C-N 3.29Å; Q319-L321 PolarHBondContact O-N 3.15Å; L321-I323 VanDerWaalsContact C-N 3.3Å; L321-I323 HydrophobicContact CB-CD1 3.75Å; L321-I323 HydrophobicContact CB-CG1 3.89Å; L321-I323 HydrophobicContact CD1-CD1 3.9Å; L321-I336 VanDerWaalsContact O-CD1 3.29Å; L321-I336 WeakPolarHBondContact O-CD1 2.75Å
322K95.7Very high93.8Very high44 Ų4449.5 Ų49.519%0.19126%0.257CS..THydrogen-bonded Turntrans61.434.1-175.4-51.4-62.1173.6-154.80113.5T291 D294 Y297 L318 Q319 E320 I336T291-K322 HydrophobicContact CG2-CG 4.38Å; D294-K322 IonicContact OD1-NZ 3.78Å; D294-K322 PolarHBondContact OD1-NZ 3.38Å; Y297-K322 HydrophobicContact CE2-CD 4.39Å; Y297-K322 WeakPolarHBondContact OH-CA 3.4Å; L318-K322 PolarHBondContact O-N 3.06Å; Q319-K322 WeakPolarHBondContact O-CD 3.48Å; Q319-K322 WeakPolarHBondContact O-CE 3.49Å; Q319-K322 PolarHBondContact O-N 2.83Å; Q319-K322 PolarHBondContact O-NZ 3.19Å; Q319-K322 VanDerWaalsContact O-NZ 3.12Å; E320-K322 VanDerWaalsContact C-N 3.33Å; E320-K322 PolarHBondContact O-N 2.9Å; K322-I336 HydrophobicContact CB-CD1 4.46Å; K322-I336 WeakPolarHBondContact O-CD1 3.43Å
323I95.9Very high93.7Very high0 Ų045.5 Ų45.50%022%0.224CC..  trans-82.7132.9176.5-62.7166.2000109.5I275 I279 Y297 L318 L321 L334 I336I275-I323 HydrophobicContact CD1-CG2 4.18Å; I275-I323 HydrophobicContact CG1-CD1 4.19Å; I275-I323 HydrophobicContact CG2-CD1 4.2Å; I279-I323 HydrophobicContact CB-CD1 4.26Å; I279-I323 HydrophobicContact CG1-CD1 4Å; I279-I323 HydrophobicContact CG1-CG1 4.19Å; Y297-I323 VanDerWaalsContact CE1-O 3.25Å; Y297-I323 WeakPolarHBondContact CE1-O 3.18Å; Y297-I323 PolarHBondContact OH-N 3.45Å; Y297-I323 VanDerWaalsContact OH-N 3.11Å; Y297-I323 PolarHBondContact OH-O 3.44Å; L318-I323 HydrophobicContact CB-CB 4.37Å; L318-I323 HydrophobicContact CD2-CB 4.07Å; L318-I323 HydrophobicContact CD2-CD1 3.95Å; L318-I323 HydrophobicContact CD2-CG2 4.03Å; L318-I323 PolarHBondContact O-N 2.91Å; L321-I323 VanDerWaalsContact C-N 3.3Å; L321-I323 HydrophobicContact CB-CD1 3.75Å; L321-I323 HydrophobicContact CB-CG1 3.89Å; L321-I323 HydrophobicContact CD1-CD1 3.9Å; I323-L334 HydrophobicContact CG2-CB 3.92Å; I323-I336 HydrophobicContact CG1-CD1 4.39Å
324L93.9Very high93.6Very high6 Ų644 Ų443%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-93146.3-179.7-61.5168.2000110.6V292 Y296 L334 Q335 L368V292-L324 HydrophobicContact CB-CD2 4.22Å; V292-L324 HydrophobicContact CG1-CD1 4.41Å; V292-L324 HydrophobicContact CG1-CD2 3.75Å; V292-L324 HydrophobicContact CG2-CD2 3.6Å; Y296-L324 HydrophobicContact CD1-CD2 3.95Å; Y296-L324 HydrophobicContact CD2-CD2 4.36Å; Y296-L324 HydrophobicContact CE1-CD2 3.5Å; Y296-L324 HydrophobicContact CE2-CD2 3.95Å; Y296-L324 HydrophobicContact CG-CD2 4.36Å; Y296-L324 VanDerWaalsContact CZ-CD2 3.49Å; L324-L334 VanDerWaalsContact O-CA 3.31Å; L324-L334 WeakPolarHBondContact O-CA 3.4Å; L324-Q335 HydrophobicContact CB-CG 4.1Å; L324-Q335 WeakPolarHBondContact CB-O 3.44Å; L324-Q335 PolarHBondContact N-O 2.79Å; L324-Q335 PolarHBondContact O-N 2.86Å; L324-L368 HydrophobicContact CD1-CD2 3.24Å; L324-L368 HydrophobicContact CD1-CG 3.91Å
325V92.8Very high93.5Very high2 Ų240.2 Ų40.21%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-124.1121.3-176.2-172.70000111Y296 L300 I311 L318 L333 L334 N364Y296-V325 PolarHBondContact OH-N 2.9Å; Y296-V325 PolarHBondContact OH-O 3.27Å; Y296-V325 VanDerWaalsContact OH-O 3.12Å; L300-V325 HydrophobicContact CD1-CB 4.13Å; L300-V325 HydrophobicContact CD1-CG1 4.47Å; L300-V325 HydrophobicContact CD2-CB 3.74Å; L300-V325 HydrophobicContact CD2-CG2 3.66Å; I311-V325 HydrophobicContact CD1-CG1 3.52Å; I311-V325 HydrophobicContact CG1-CG1 4.03Å; L318-V325 HydrophobicContact CD1-CG2 3.56Å; V325-L333 WeakPolarHBondContact CA-O 3.28Å; V325-L334 HydrophobicContact CB-CD2 4.15Å; V325-L334 HydrophobicContact CG1-CD2 3.97Å; V325-L334 HydrophobicContact CG2-CD2 3.62Å; V325-N364 VanDerWaalsContact C-CG 3.46Å; V325-N364 WeakPolarHBondContact CA-ND2 3.49Å; V325-N364 PolarHBondContact N-ND2 3.19Å; V325-N364 VanDerWaalsContact N-ND2 3.12Å; V325-N364 VanDerWaalsContact O-CG 3.27Å; V325-N364 PolarHBondContact O-ND2 3.03Å; V325-N364 PolarHBondContact O-OD1 3.28Å
326D89.2Confident93.4Very high14 Ų1438.6 Ų38.68%0.07519%0.188CC..EExtended strand (participates in β ladder)trans-118.3155.3167.3-149.2-9.8000110.5Y332 L333 G361 G363 N364D326-Y332 CarbonylContact O-C 3.57Å; D326-Y332 WeakPolarHBondContact O-CA 3.3Å; D326-Y332 WeakPolarHBondContact O-CB 3.14Å; D326-L333 HydrophobicContact CB-CD1 3.81Å; D326-L333 HydrophobicContact CB-CD2 3.82Å; D326-L333 HydrophobicContact CB-CG 3.66Å; D326-L333 PolarHBondContact N-O 3.32Å; D326-L333 PolarHBondContact O-N 3.29Å; D326-G361 WeakPolarHBondContact OD2-CA 3.31Å; D326-G363 PolarHBondContact OD2-N 2.82Å; D326-N364 HydrophobicContact CB-CB 3.65Å; D326-N364 PolarHBondContact N-ND2 3.36Å; D326-N364 PolarHBondContact OD2-N 3.21Å
327Y89.5Confident93.3Very high55 Ų5534.3 Ų34.322%0.21617%0.165CC..EExtended strand (participates in β ladder)trans-154.1153.2-177.758.4-88.9000112.3L300 K303 L304 S307 V309 G331L300-Y327 HydrophobicContact CD1-CE1 4.01Å; K303-Y327 VanDerWaalsContact CB-OH 3.27Å; K303-Y327 WeakPolarHBondContact CB-OH 3.31Å; L304-Y327 HydrophobicContact CD2-CD1 3.95Å; L304-Y327 HydrophobicContact CD2-CE1 3.64Å; L304-Y327 HydrophobicContact CD2-CE2 4.47Å; L304-Y327 HydrophobicContact CD2-CG 4.48Å; L304-Y327 HydrophobicContact CG-CE1 4.26Å; S307-Y327 WeakPolarHBondContact OG-CD2 3.28Å; S307-Y327 WeakPolarHBondContact OG-CE2 3.44Å; V309-Y327 HydrophobicContact CB-CD2 4.39Å; V309-Y327 HydrophobicContact CG1-CG 4.25Å; Y327-G331 VanDerWaalsContact CA-O 3.3Å; Y327-G331 WeakPolarHBondContact CA-O 3.11Å; Y327-G331 WeakPolarHBondContact CB-O 3.21Å
328D85.4Confident93.3Very high63 Ų6333.2 Ų33.234%0.33716%0.158SC..  trans-121.1-167.4166.770.66.1000109.5V309 K330 G331 H357V309-D328 WeakPolarHBondContact CG2-O 3.08Å; D328-K330 PolarHBondContact O-N 2.91Å; D328-K330 WeakPolarHBondContact OD1-CA 3.4Å; D328-K330 WeakPolarHBondContact OD1-CB 3.34Å; D328-K330 PolarHBondContact OD1-N 2.67Å; D328-G331 PolarHBondContact N-O 3.48Å; D328-G331 PolarHBondContact OD1-N 2.95Å; D328-H357 VanDerWaalsContact CG-CD2 3.46Å; D328-H357 IonicContact OD1-CD2 3.78Å; D328-H357 IonicContact OD2-CD2 3.61Å; D328-H357 IonicContact OD2-NE2 3.8Å
329D83Confident93.3Very high139 Ų13936.9 Ų36.974%0.74317%0.174SC*.SBendtrans-70.4-12.6178.8-71.8-38.4000113.9
330K85.6Confident93.3Very high171 Ų17136.4 Ų36.474%0.74317%0.174SC*.SBendtrans-109.1-26.9-171.9-63.1-178.7-178.7176.80113.1D328 N356D328-K330 PolarHBondContact O-N 2.91Å; D328-K330 WeakPolarHBondContact OD1-CA 3.4Å; D328-K330 WeakPolarHBondContact OD1-CB 3.34Å; D328-K330 PolarHBondContact OD1-N 2.67Å; K330-N356 WeakPolarHBondContact O-CB 3.43Å
331G91.8Very high93.4Very high4 Ų432.3 Ų32.34%0.04116%0.157CC..  trans-174.4-173-172.400000113.5Y327 D328 H355Y327-G331 VanDerWaalsContact CA-O 3.3Å; Y327-G331 WeakPolarHBondContact CA-O 3.11Å; Y327-G331 WeakPolarHBondContact CB-O 3.21Å; D328-G331 PolarHBondContact N-O 3.48Å; D328-G331 PolarHBondContact OD1-N 2.95Å; G331-H355 CarbonylContact C-O 3.52Å; G331-H355 WeakPolarHBondContact CA-O 3.49Å
332Y93.5Very high93.4Very high13 Ų1334 Ų345%0.05117%0.165CC..EExtended strand (participates in β ladder)trans-143.1163.7179.266.4-86.6000111.8V309 K310 I311 A312 E313 D326 L334 H355 H357V309-Y332 HydrophobicContact CG1-CD1 4.01Å; V309-Y332 HydrophobicContact CG1-CG 4.41Å; K310-Y332 WeakPolarHBondContact O-CE1 3.14Å; I311-Y332 HydrophobicContact CD1-CD1 3.79Å; I311-Y332 HydrophobicContact CD1-CD2 3.59Å; I311-Y332 HydrophobicContact CD1-CE1 4.29Å; I311-Y332 HydrophobicContact CD1-CE2 4.09Å; I311-Y332 HydrophobicContact CD1-CG 3.41Å; I311-Y332 VanDerWaalsContact CD1-CG 3.41Å; I311-Y332 HydrophobicContact CG2-CD2 4.42Å; I311-Y332 HydrophobicContact CG2-CE2 3.96Å; A312-Y332 VanDerWaalsContact CB-OH 3.24Å; A312-Y332 WeakPolarHBondContact CB-OH 3.48Å; A312-Y332 PolarHBondContact N-OH 2.78Å; E313-Y332 VanDerWaalsContact OE2-CE2 3.24Å; E313-Y332 WeakPolarHBondContact OE2-CE2 3.48Å; E313-Y332 PolarHBondContact OE2-OH 3.11Å; D326-Y332 CarbonylContact O-C 3.57Å; D326-Y332 WeakPolarHBondContact O-CA 3.3Å; D326-Y332 WeakPolarHBondContact O-CB 3.14Å; Y332-L334 HydrophobicContact CD2-CD2 3.96Å; Y332-L334 HydrophobicContact CD2-CG 4.11Å; Y332-L334 HydrophobicContact CE2-CD1 4.18Å; Y332-L334 HydrophobicContact CE2-CD2 4.06Å; Y332-L334 HydrophobicContact CE2-CG 4.01Å; Y332-H355 HydrophobicContact CD1-CB 3.76Å; Y332-H355 HydrophobicContact CD2-CB 4.23Å; Y332-H355 AromaticContact CD2-CD2 3.97Å; Y332-H355 HydrophobicContact CE1-CB 3.52Å; Y332-H355 AromaticContact CE1-CG 3.79Å; Y332-H355 HydrophobicContact CE2-CB 4.03Å; Y332-H355 AromaticContact CE2-CD2 3.19Å; Y332-H355 WeakPolarHBondContact CE2-CD2 3.47Å; Y332-H355 AromaticContact CE2-CG 3.81Å; Y332-H355 AromaticContact CE2-NE2 3.83Å; Y332-H355 HydrophobicContact CG-CB 4.11Å; Y332-H355 AromaticContact CZ-CD2 3.21Å; Y332-H355 AromaticContact CZ-CG 3.43Å; Y332-H355 VanDerWaalsContact CZ-CG 3.43Å; Y332-H355 AromaticContact CZ-NE2 3.66Å; Y332-H355 PolarHBondContact N-O 2.96Å; Y332-H355 PolarHBondContact O-N 2.94Å; Y332-H355 PolarHBondContact OH-CD2 3.12Å; Y332-H355 VanDerWaalsContact OH-CD2 3.27Å; Y332-H355 PolarHBondContact OH-NE2 3.1Å; Y332-H357 WeakPolarHBondContact O-CB 3.08Å
333L93.7Very high93.5Very high2 Ų240 Ų401%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-132.3140.8176.963105.2000109.6V325 D326 Q335 Q353 H357V325-L333 WeakPolarHBondContact CA-O 3.28Å; D326-L333 HydrophobicContact CB-CD1 3.81Å; D326-L333 HydrophobicContact CB-CD2 3.82Å; D326-L333 HydrophobicContact CB-CG 3.66Å; D326-L333 PolarHBondContact N-O 3.32Å; D326-L333 PolarHBondContact O-N 3.29Å; L333-Q335 HydrophobicContact CD1-CG 4.02Å; L333-Q353 WeakPolarHBondContact CA-O 3.25Å; L333-H357 WeakPolarHBondContact CD2-CE1 3.37Å; L333-H357 VanDerWaalsContact CD2-ND1 3.27Å; L333-H357 WeakPolarHBondContact CD2-ND1 3.45Å
334L95.9Very high93.6Very high0 Ų044 Ų440%021%0.214CC..EExtended strand (participates in β ladder)trans-113.3131.9176.2-55.3-179.9000107.8I275 E313 L318 I323 L324 V325 Y332 I352 Q353I275-L334 HydrophobicContact CD1-CB 3.92Å; I275-L334 HydrophobicContact CG2-CB 3.99Å; I275-L334 HydrophobicContact CG2-CD1 3.51Å; I275-L334 HydrophobicContact CG2-CG 4.41Å; E313-L334 HydrophobicContact CB-CD1 4.41Å; E313-L334 VanDerWaalsContact CD-CD1 3.44Å; E313-L334 HydrophobicContact CG-CD1 3.79Å; L318-L334 HydrophobicContact CD1-CD2 4Å; L318-L334 HydrophobicContact CD2-CD1 4.34Å; I323-L334 HydrophobicContact CG2-CB 3.92Å; L324-L334 VanDerWaalsContact O-CA 3.31Å; L324-L334 WeakPolarHBondContact O-CA 3.4Å; V325-L334 HydrophobicContact CB-CD2 4.15Å; V325-L334 HydrophobicContact CG1-CD2 3.97Å; V325-L334 HydrophobicContact CG2-CD2 3.62Å; Y332-L334 HydrophobicContact CD2-CD2 3.96Å; Y332-L334 HydrophobicContact CD2-CG 4.11Å; Y332-L334 HydrophobicContact CE2-CD1 4.18Å; Y332-L334 HydrophobicContact CE2-CD2 4.06Å; Y332-L334 HydrophobicContact CE2-CG 4.01Å; L334-I352 CarbonylContact O-C 3.44Å; L334-I352 VanDerWaalsContact O-CA 3.31Å; L334-I352 WeakPolarHBondContact O-CA 3.49Å; L334-Q353 HydrophobicContact CB-CB 4.31Å; L334-Q353 PolarHBondContact N-O 2.93Å; L334-Q353 PolarHBondContact O-N 2.79Å
335Q94.9Very high93.7Very high6 Ų644.3 Ų44.33%0.02822%0.216CC..EExtended strand (participates in β ladder)trans-149.1152.9-175.557.3176.6-55.100112.5L324 L333 E350 V351 I352 L368L324-Q335 HydrophobicContact CB-CG 4.1Å; L324-Q335 WeakPolarHBondContact CB-O 3.44Å; L324-Q335 PolarHBondContact N-O 2.79Å; L324-Q335 PolarHBondContact O-N 2.86Å; L333-Q335 HydrophobicContact CD1-CG 4.02Å; Q335-E350 WeakPolarHBondContact CB-OE1 3.3Å; Q335-V351 WeakPolarHBondContact CA-O 3.11Å; Q335-I352 HydrophobicContact CB-CG1 4.48Å; Q335-L368 VanDerWaalsContact CD-CD1 3.44Å; Q335-L368 HydrophobicContact CG-CD2 4.04Å
336I95.7Very high94Very high3 Ų344.2 Ų44.22%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-156.9141.4174.2-169.1176.6000109.8I279 F289 L321 K322 I323 E350 V351I279-I336 HydrophobicContact CD1-CG2 3.29Å; I279-I336 HydrophobicContact CG1-CG2 3.79Å; I279-I336 HydrophobicContact CG2-CD1 4.24Å; F289-I336 HydrophobicContact CB-CD1 3.77Å; F289-I336 HydrophobicContact CB-CG1 4.15Å; F289-I336 HydrophobicContact CD1-CB 4.46Å; F289-I336 HydrophobicContact CD1-CD1 3.75Å; F289-I336 HydrophobicContact CD1-CG1 3.79Å; F289-I336 HydrophobicContact CD1-CG2 3.99Å; F289-I336 HydrophobicContact CE1-CG2 4.01Å; F289-I336 HydrophobicContact CG-CD1 3.84Å; F289-I336 HydrophobicContact CG-CG1 4.27Å; L321-I336 VanDerWaalsContact O-CD1 3.29Å; L321-I336 WeakPolarHBondContact O-CD1 2.75Å; K322-I336 HydrophobicContact CB-CD1 4.46Å; K322-I336 WeakPolarHBondContact O-CD1 3.43Å; I323-I336 HydrophobicContact CG1-CD1 4.39Å; I336-E350 WeakPolarHBondContact O-CA 3.33Å; I336-V351 HydrophobicContact CG2-CB 4.16Å; I336-V351 PolarHBondContact N-O 3.42Å; I336-V351 VanDerWaalsContact N-O 3.14Å; I336-V351 PolarHBondContact O-N 2.94Å
337F96.2Very high94.4Very high12 Ų1243.7 Ų43.75%0.05321%0.213CC..EExtended strand (participates in β ladder)trans-100.2138178.4-62-26.8000111.6F289 M290 F348 L349 E350 L368 I372F289-F337 CarbonylContact C-O 3.54Å; F289-F337 VanDerWaalsContact CA-O 3.3Å; F289-F337 WeakPolarHBondContact CA-O 3.2Å; F289-F337 WeakPolarHBondContact CB-O 3.5Å; F289-F337 WeakPolarHBondContact CD1-O 3.4Å; M290-F337 HydrophobicContact CG-CB 4.34Å; M290-F337 PolarHBondContact N-O 2.8Å; M290-F337 HydrophobicContact SD-CB 3.91Å; M290-F337 HydrophobicContact SD-CD2 4.28Å; F337-F348 HydrophobicContact CB-CD2 4.1Å; F337-F348 HydrophobicContact CB-CE2 4.17Å; F337-F348 HydrophobicContact CD1-CD2 4.47Å; F337-F348 HydrophobicContact CD1-CE2 4.02Å; F337-F348 AromaticContact CD2-CE2 3.85Å; F337-F348 HydrophobicContact CD2-CE2 3.85Å; F337-F348 HydrophobicContact CD2-CZ 4.48Å; F337-F348 HydrophobicContact CE1-CE2 4.32Å; F337-F348 HydrophobicContact CE2-CE2 4.16Å; F337-F348 HydrophobicContact CG-CD2 4.17Å; F337-F348 AromaticContact CG-CE2 3.76Å; F337-F348 HydrophobicContact CG-CE2 3.76Å; F337-F348 HydrophobicContact CZ-CE2 4.37Å; F337-L349 CarbonylContact C-O 3.6Å; F337-L349 WeakPolarHBondContact CA-O 3.35Å; F337-E350 HydrophobicContact CD1-CB 3.56Å; F337-E350 HydrophobicContact CD1-CG 3.73Å; F337-E350 HydrophobicContact CE1-CB 3.63Å; F337-E350 HydrophobicContact CE1-CG 3.58Å; F337-E350 WeakPolarHBondContact CE1-OE2 3.08Å; F337-L368 HydrophobicContact CD2-CD2 3.98Å; F337-L368 HydrophobicContact CE1-CD2 4.15Å; F337-L368 HydrophobicContact CE2-CB 3.85Å; F337-L368 HydrophobicContact CE2-CD1 4.28Å; F337-L368 HydrophobicContact CE2-CD2 3.52Å; F337-L368 HydrophobicContact CE2-CG 4.08Å; F337-L368 HydrophobicContact CG-CD2 4.49Å; F337-L368 HydrophobicContact CZ-CB 4.37Å; F337-L368 HydrophobicContact CZ-CD1 3.98Å; F337-L368 HydrophobicContact CZ-CD2 3.63Å; F337-L368 HydrophobicContact CZ-CG 4.2Å; F337-I372 HydrophobicContact CD2-CD1 3.89Å; F337-I372 HydrophobicContact CD2-CG1 4.06Å; F337-I372 HydrophobicContact CE2-CD1 3.67Å; F337-I372 HydrophobicContact CE2-CG1 4.31Å
338T98Very high94.8Very high3 Ų341.4 Ų41.42%0.01821%0.205CC..BIsolated β-bridgetrans-66.8161.5164.270.30000109.3T287 E288 F289 L349T287-T338 HydrophobicContact CG2-CG2 3.84Å; E288-T338 CarbonylContact O-C 3.56Å; E288-T338 VanDerWaalsContact O-CA 3.24Å; E288-T338 WeakPolarHBondContact O-CA 3.4Å; E288-T338 WeakPolarHBondContact O-CB 3.36Å; F289-T338 HydrophobicContact CD1-CG2 4.12Å; F289-T338 HydrophobicContact CE1-CG2 3.82Å; F289-T338 HydrophobicContact CZ-CG2 4.41Å; T338-L349 HydrophobicContact CG2-CB 3.92Å; T338-L349 PolarHBondContact N-O 3.37Å; T338-L349 PolarHBondContact OG1-N 3.35Å; T338-L349 PolarHBondContact OG1-O 3.18Å
339K96.8Very high95.4Very high77 Ų7738.4 Ų38.434%0.33519%0.189SC..PPolyproline II helixtrans-61.3164.7155.9-76.4-169.4-178.9168.80110.5E288 V341E288-K339 HydrophobicContact CB-CB 4.22Å; E288-K339 HydrophobicContact CB-CD 3.96Å; E288-K339 HydrophobicContact CB-CG 4.12Å; E288-K339 PolarHBondContact O-N 3.48Å; E288-K339 IonicContact OE1-NZ 3.68Å; E288-K339 PolarHBondContact OE1-NZ 3.14Å; K339-V341 PolarHBondContact O-N 3.01Å
340P97.8Very high96.2Very high29 Ų2932 Ų3219%0.18815%0.154CC..PPolyproline II helixtrans-48.2138169.3-28.436.9000111.7Q342 V347P340-Q342 WeakPolarHBondContact CB-O 2.95Å; P340-Q342 PolarHBondContact O-N 2.99Å; P340-V347 WeakPolarHBondContact CA-O 3.07Å
341V98Very high96.8Very high29 Ų2923.8 Ų23.818%0.17612%0.118CC..SBendtrans-83.88.5-178.1-62.80000112.9Y35 Y36 K339 V347 L349Y35-V341 HydrophobicContact CE1-CB 4.26Å; Y35-V341 HydrophobicContact CE1-CG1 4.37Å; Y36-V341 WeakPolarHBondContact OH-CG2 3.19Å; K339-V341 PolarHBondContact O-N 3.01Å; V341-V347 HydrophobicContact CG2-CB 4.21Å; V341-V347 HydrophobicContact CG2-CG1 4.13Å; V341-V347 WeakPolarHBondContact CG2-O 3.41Å; V341-V347 PolarHBondContact N-O 2.89Å; V341-L349 HydrophobicContact CG1-CD1 4Å; V341-L349 HydrophobicContact CG1-CG 4.06Å
342Q97.8Very high97.1Very high41 Ų4123.8 Ų23.819%0.19212%0.117CC..SBendtrans-151.5171.3173.563.6-178.7-18.100109D91 P340 R344 T346D91-Q342 VanDerWaalsContact O-CD 3.24Å; D91-Q342 PolarHBondContact O-NE2 3.49Å; D91-Q342 PolarHBondContact O-OE1 3.45Å; D91-Q342 VanDerWaalsContact O-OE1 3.13Å; P340-Q342 WeakPolarHBondContact CB-O 2.95Å; P340-Q342 PolarHBondContact O-N 2.99Å; Q342-R344 VanDerWaalsContact C-N 3.34Å; Q342-R344 HydrophobicContact CG-CB 4.35Å; Q342-R344 PolarHBondContact O-N 2.99Å; Q342-T346 PolarHBondContact NE2-OG1 3.06Å
343D97.8Very high97.3Very high172 Ų17223.7 Ų23.792%0.9212%0.117SC*.SBendtrans-67.2-33.5-177.1-60.8-57.3000113.4
344R97.9Very high97.4Very high83 Ų8325.2 Ų25.231%0.31312%0.123SC..SBendtrans-66.1133.9173.5-63.8-170.7-175.8-167.511.1108.8V87 K88 H89 Y259 Q342 T346V87-R344 PolarHBondContact O-NH2 3.27Å; V87-R344 VanDerWaalsContact O-NH2 3.12Å; K88-R344 PolarHBondContact O-NH1 3.34Å; H89-R344 VanDerWaalsContact C-NH1 3.28Å; H89-R344 PolarHBondContact O-NH1 2.89Å; Y259-R344 WeakPolarHBondContact O-CD 3.47Å; Y259-R344 PolarHBondContact O-NH1 3.09Å; Q342-R344 VanDerWaalsContact C-N 3.34Å; Q342-R344 HydrophobicContact CG-CB 4.35Å; Q342-R344 PolarHBondContact O-N 2.99Å; R344-T346 HydrophobicContact CB-CG2 4.07Å; R344-T346 PolarHBondContact O-N 2.85Å
345P97.2Very high97.4Very high12 Ų1228 Ų288%0.07814%0.136CC..SBendtrans-76.460.4179.833.8-37.6000111.7E255 Y259 R379E255-P345 HydrophobicContact CG-CB 4.4Å; E255-P345 HydrophobicContact CG-CG 3.89Å; Y259-P345 HydrophobicContact CD1-CG 4.29Å; Y259-P345 HydrophobicContact CD2-CG 3.64Å; Y259-P345 HydrophobicContact CE2-CG 4.07Å; Y259-P345 HydrophobicContact CG-CG 3.76Å; P345-R379 VanDerWaalsContact CB-NE 3.34Å
346T97.9Very high97.2Very high1 Ų134.4 Ų34.41%0.00617%0.17CC..  trans-116.5-93-174.357.30000110.8Y256 Y260 Q342 R344 F348Y256-T346 HydrophobicContact CD2-CG2 4.27Å; Y256-T346 HydrophobicContact CE2-CG2 4.29Å; Y260-T346 HydrophobicContact CD2-CG2 3.99Å; Y260-T346 HydrophobicContact CG-CG2 4.36Å; Q342-T346 PolarHBondContact NE2-OG1 3.06Å; R344-T346 HydrophobicContact CB-CG2 4.07Å; R344-T346 PolarHBondContact O-N 2.85Å; T346-F348 PolarHBondContact O-N 3.45Å
347V98Very high96.8Very high2 Ų234.9 Ų34.91%0.01217%0.172CC..  trans-74.5127.2-176.3-1740000110.9F24 Q266 P340 V341F24-V347 HydrophobicContact CE1-CG1 4.39Å; Q266-V347 CarbonylContact O-C 3.55Å; Q266-V347 VanDerWaalsContact O-CA 3.25Å; Q266-V347 WeakPolarHBondContact O-CA 3.08Å; P340-V347 WeakPolarHBondContact CA-O 3.07Å; V341-V347 HydrophobicContact CG2-CB 4.21Å; V341-V347 HydrophobicContact CG2-CG1 4.13Å; V341-V347 WeakPolarHBondContact CG2-O 3.41Å; V341-V347 PolarHBondContact N-O 2.89Å
348F98.3Very high96.1Very high8 Ų839.6 Ų39.64%0.03520%0.195CC..EExtended strand (participates in β ladder)trans-133.5178.2164.961.9-90.9000110.5Q266 H267 I268 M290 F337 T346 I372Q266-F348 VanDerWaalsContact CD-CE1 3.5Å; Q266-F348 HydrophobicContact CG-CD1 4.18Å; Q266-F348 HydrophobicContact CG-CE1 3.44Å; Q266-F348 VanDerWaalsContact CG-CE1 3.44Å; Q266-F348 HydrophobicContact CG-CZ 4.01Å; Q266-F348 PolarHBondContact O-N 2.93Å; H267-F348 WeakPolarHBondContact CA-O 3.05Å; H267-F348 HydrophobicContact CB-CD1 4.36Å; H267-F348 HydrophobicContact CB-CD2 3.59Å; H267-F348 HydrophobicContact CB-CE1 4.27Å; H267-F348 HydrophobicContact CB-CE2 3.44Å; H267-F348 VanDerWaalsContact CB-CE2 3.44Å; H267-F348 HydrophobicContact CB-CG 4.05Å; H267-F348 HydrophobicContact CB-CZ 3.81Å; H267-F348 VanDerWaalsContact CB-O 3.27Å; H267-F348 WeakPolarHBondContact CB-O 3.34Å; H267-F348 AromaticContact CG-CE2 3.64Å; H267-F348 AromaticContact CG-CZ 3.91Å; H267-F348 AromaticContact ND1-CE2 3.75Å; H267-F348 AromaticContact ND1-CZ 3.58Å; I268-F348 PolarHBondContact N-O 2.89Å; M290-F348 HydrophobicContact CE-CG 4.5Å; F337-F348 HydrophobicContact CB-CD2 4.1Å; F337-F348 HydrophobicContact CB-CE2 4.17Å; F337-F348 HydrophobicContact CD1-CD2 4.47Å; F337-F348 HydrophobicContact CD1-CE2 4.02Å; F337-F348 AromaticContact CD2-CE2 3.85Å; F337-F348 HydrophobicContact CD2-CE2 3.85Å; F337-F348 HydrophobicContact CD2-CZ 4.48Å; F337-F348 HydrophobicContact CE1-CE2 4.32Å; F337-F348 HydrophobicContact CE2-CE2 4.16Å; F337-F348 HydrophobicContact CG-CD2 4.17Å; F337-F348 AromaticContact CG-CE2 3.76Å; F337-F348 HydrophobicContact CG-CE2 3.76Å; F337-F348 HydrophobicContact CZ-CE2 4.37Å; T346-F348 PolarHBondContact O-N 3.45Å; F348-I372 HydrophobicContact CZ-CD1 4.06Å
349L98.6Very high95.3Very high0 Ų040.1 Ų40.10%020%0.201CC..EExtended strand (participates in β ladder)trans-125.2153-176.5-56.6172.6000110.7Y36 L40 I268 M270 F337 T338 V341Y36-L349 HydrophobicContact CE1-CD1 4.02Å; L40-L349 HydrophobicContact CD1-CD1 3.26Å; L40-L349 HydrophobicContact CD2-CD1 4.15Å; L40-L349 HydrophobicContact CG-CD1 4.35Å; I268-L349 HydrophobicContact CB-CD2 4.01Å; I268-L349 HydrophobicContact CD1-CD2 4.12Å; M270-L349 HydrophobicContact CE-CB 3.88Å; M270-L349 HydrophobicContact CE-CD1 4.04Å; M270-L349 HydrophobicContact CE-CG 4.42Å; F337-L349 CarbonylContact C-O 3.6Å; F337-L349 WeakPolarHBondContact CA-O 3.35Å; T338-L349 HydrophobicContact CG2-CB 3.92Å; T338-L349 PolarHBondContact N-O 3.37Å; T338-L349 PolarHBondContact OG1-N 3.35Å; T338-L349 PolarHBondContact OG1-O 3.18Å; V341-L349 HydrophobicContact CG1-CD1 4Å; V341-L349 HydrophobicContact CG1-CG 4.06Å
350E98.1Very high94.4Very high3 Ų337 Ų371%0.01419%0.187CC..EExtended strand (participates in β ladder)trans-117.2141.9172.9174.2-174.317300109.9H184 H267 I268 A269 M270 Q335 I336 F337 I352H184-E350 IonicContact CE1-OE1 3.82Å; H184-E350 IonicContact CE1-OE2 3.43Å; H184-E350 PolarHBondContact CE1-OE2 3.15Å; H184-E350 IonicContact NE2-OE2 2.76Å; H184-E350 PolarHBondContact NE2-OE2 3.21Å; H184-E350 VanDerWaalsContact NE2-OE2 3.16Å; H267-E350 IonicContact CD2-OE2 2.74Å; H267-E350 IonicContact NE2-OE2 3.77Å; I268-E350 PolarHBondContact O-N 2.74Å; A269-E350 CarbonylContact C-O 3.55Å; A269-E350 WeakPolarHBondContact CA-O 3.47Å; A269-E350 HydrophobicContact CB-CB 3.86Å; A269-E350 HydrophobicContact CB-CG 4.03Å; A269-E350 WeakPolarHBondContact CB-OE2 3.27Å; M270-E350 PolarHBondContact N-O 3.28Å; Q335-E350 WeakPolarHBondContact CB-OE1 3.3Å; I336-E350 WeakPolarHBondContact O-CA 3.33Å; F337-E350 HydrophobicContact CD1-CB 3.56Å; F337-E350 HydrophobicContact CD1-CG 3.73Å; F337-E350 HydrophobicContact CE1-CB 3.63Å; F337-E350 HydrophobicContact CE1-CG 3.58Å; F337-E350 WeakPolarHBondContact CE1-OE2 3.08Å; E350-I352 HydrophobicContact CG-CB 4.34Å; E350-I352 WeakPolarHBondContact OE1-CB 3.31Å
351V98.5Very high93Very high0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-109.4125.5163.3-178.60000107.9L179 M270 T272 I275 I279 L282 F289 Q335 I336L179-V351 HydrophobicContact CD2-CG1 3.85Å; L179-V351 HydrophobicContact CD2-CG2 4.04Å; M270-V351 HydrophobicContact CE-CG2 4.37Å; M270-V351 WeakPolarHBondContact O-CA 3.39Å; T272-V351 HydrophobicContact CG2-CG1 3.64Å; I275-V351 HydrophobicContact CD1-CG1 4.16Å; I275-V351 HydrophobicContact CG1-CG1 3.99Å; I279-V351 HydrophobicContact CD1-CB 3.8Å; I279-V351 HydrophobicContact CD1-CG1 3.95Å; I279-V351 HydrophobicContact CD1-CG2 3.88Å; L282-V351 HydrophobicContact CD1-CG2 3.87Å; F289-V351 HydrophobicContact CE1-CG2 4.47Å; Q335-V351 WeakPolarHBondContact CA-O 3.11Å; I336-V351 HydrophobicContact CG2-CB 4.16Å; I336-V351 PolarHBondContact N-O 3.42Å; I336-V351 VanDerWaalsContact N-O 3.14Å; I336-V351 PolarHBondContact O-N 2.94Å
352I97.6Very high91.5Very high4 Ų436.3 Ų36.32%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-128.9138.3-174.7-170.3173000111.8D183 A269 M270 N271 T272 L334 Q335 E350 R354D183-I352 HydrophobicContact CB-CG2 3.61Å; A269-I352 HydrophobicContact CB-CG2 4.19Å; M270-I352 PolarHBondContact O-N 2.66Å; N271-I352 CarbonylContact C-O 3.57Å; N271-I352 VanDerWaalsContact CA-O 3.26Å; N271-I352 WeakPolarHBondContact CA-O 3.46Å; T272-I352 PolarHBondContact N-O 3.38Å; L334-I352 CarbonylContact O-C 3.44Å; L334-I352 VanDerWaalsContact O-CA 3.31Å; L334-I352 WeakPolarHBondContact O-CA 3.49Å; Q335-I352 HydrophobicContact CB-CG1 4.48Å; E350-I352 HydrophobicContact CG-CB 4.34Å; E350-I352 WeakPolarHBondContact OE1-CB 3.31Å; I352-R354 HydrophobicContact CD1-CG 4.33Å; I352-R354 HydrophobicContact CG1-CG 4.36Å
353Q98.1Very high90Very high10 Ų1036.7 Ų36.75%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-125.3133.1168.5176.2173.7-17.800109.7T272 S273 I275 E313 L333 L334 H355T272-Q353 HydrophobicContact CG2-CB 4.21Å; T272-Q353 WeakPolarHBondContact O-CA 3.41Å; T272-Q353 VanDerWaalsContact O-CB 3.28Å; T272-Q353 WeakPolarHBondContact O-CB 3.48Å; T272-Q353 VanDerWaalsContact O-CG 3.31Å; T272-Q353 WeakPolarHBondContact O-CG 3.31Å; S273-Q353 PolarHBondContact O-NE2 3.27Å; I275-Q353 HydrophobicContact CB-CB 3.96Å; I275-Q353 VanDerWaalsContact CB-OE1 3.31Å; I275-Q353 HydrophobicContact CD1-CB 4.36Å; I275-Q353 HydrophobicContact CG2-CB 4.22Å; I275-Q353 VanDerWaalsContact CG2-OE1 3.26Å; E313-Q353 PolarHBondContact OE1-NE2 2.93Å; L333-Q353 WeakPolarHBondContact CA-O 3.25Å; L334-Q353 HydrophobicContact CB-CB 4.31Å; L334-Q353 PolarHBondContact N-O 2.93Å; L334-Q353 PolarHBondContact O-N 2.79Å; Q353-H355 PolarHBondContact NE2-NE2 3.38Å
354R96.2Very high88.4Confident34 Ų3428.8 Ų28.813%0.12816%0.161CC..EExtended strand (participates in β ladder)trans-113.6129.4-176.3-64.4178.7176-76-1.6110.5D183 I352 H357 G359D183-R354 IonicContact OD1-CZ 2.95Å; D183-R354 IonicContact OD1-NE 3.25Å; D183-R354 PolarHBondContact OD1-NE 3.43Å; D183-R354 IonicContact OD1-NH2 2.69Å; D183-R354 PolarHBondContact OD1-NH2 3.18Å; D183-R354 WeakPolarHBondContact OD2-CD 3.39Å; D183-R354 IonicContact OD2-CZ 2.72Å; D183-R354 IonicContact OD2-NE 3.31Å; D183-R354 PolarHBondContact OD2-NE 3.19Å; D183-R354 IonicContact OD2-NH2 3.54Å; I352-R354 HydrophobicContact CD1-CG 4.33Å; I352-R354 HydrophobicContact CG1-CG 4.36Å; R354-H357 WeakPolarHBondContact CD-O 3.46Å; R354-H357 PolarHBondContact NH1-O 3.22Å; R354-G359 PolarHBondContact NH1-O 3.47Å
355H95.9Very high87Confident58 Ų5826.4 Ų26.427%0.26915%0.152SC..EExtended strand (participates in β ladder)trans-119.697.4172-76-86.2000109.2E313 G331 Y332 Q353 H357E313-H355 IonicContact OE1-CD2 3.78Å; E313-H355 IonicContact OE1-CE1 2.67Å; E313-H355 IonicContact OE1-NE2 3.3Å; E313-H355 PolarHBondContact OE1-NE2 3.16Å; E313-H355 IonicContact OE2-NE2 2.82Å; G331-H355 CarbonylContact C-O 3.52Å; G331-H355 WeakPolarHBondContact CA-O 3.49Å; Y332-H355 HydrophobicContact CD1-CB 3.76Å; Y332-H355 HydrophobicContact CD2-CB 4.23Å; Y332-H355 AromaticContact CD2-CD2 3.97Å; Y332-H355 HydrophobicContact CE1-CB 3.52Å; Y332-H355 AromaticContact CE1-CG 3.79Å; Y332-H355 HydrophobicContact CE2-CB 4.03Å; Y332-H355 AromaticContact CE2-CD2 3.19Å; Y332-H355 WeakPolarHBondContact CE2-CD2 3.47Å; Y332-H355 AromaticContact CE2-CG 3.81Å; Y332-H355 AromaticContact CE2-NE2 3.83Å; Y332-H355 HydrophobicContact CG-CB 4.11Å; Y332-H355 AromaticContact CZ-CD2 3.21Å; Y332-H355 AromaticContact CZ-CG 3.43Å; Y332-H355 VanDerWaalsContact CZ-CG 3.43Å; Y332-H355 AromaticContact CZ-NE2 3.66Å; Y332-H355 PolarHBondContact N-O 2.96Å; Y332-H355 PolarHBondContact O-N 2.94Å; Y332-H355 PolarHBondContact OH-CD2 3.12Å; Y332-H355 VanDerWaalsContact OH-CD2 3.27Å; Y332-H355 PolarHBondContact OH-NE2 3.1Å; Q353-H355 PolarHBondContact NE2-NE2 3.38Å; H355-H357 PolarHBondContact O-N 2.81Å
356N91.4Very high85.8Confident142 Ų14230.5 Ų30.576%0.75917%0.169SC*.SBendtrans52.626.4-177.1-66.6-23.9000115K330K330-N356 WeakPolarHBondContact O-CB 3.43Å
357H87.1Confident84.8Confident12 Ų1231.2 Ų31.26%0.05617%0.174CC..  trans-128.9113.6-179.5-168.7-68.6000111.7D328 Y332 L333 R354 H355 G359D328-H357 VanDerWaalsContact CG-CD2 3.46Å; D328-H357 IonicContact OD1-CD2 3.78Å; D328-H357 IonicContact OD2-CD2 3.61Å; D328-H357 IonicContact OD2-NE2 3.8Å; Y332-H357 WeakPolarHBondContact O-CB 3.08Å; L333-H357 WeakPolarHBondContact CD2-CE1 3.37Å; L333-H357 VanDerWaalsContact CD2-ND1 3.27Å; L333-H357 WeakPolarHBondContact CD2-ND1 3.45Å; R354-H357 WeakPolarHBondContact CD-O 3.46Å; R354-H357 PolarHBondContact NH1-O 3.22Å; H355-H357 PolarHBondContact O-N 2.81Å; H357-G359 VanDerWaalsContact CE1-C 3.44Å; H357-G359 PolarHBondContact CE1-O 3.28Å; H357-G359 PolarHBondContact ND1-N 2.82Å; H357-G359 PolarHBondContact ND1-O 2.79Å
358Q82.1Confident83.8Confident111 Ų11131.3 Ų31.352%0.51917%0.174SC..  trans-102.4-8.4-176.7-60.8-58.6-35.500113.9F210F210-Q358 WeakPolarHBondContact CE1-O 3.5Å; F210-Q358 WeakPolarHBondContact CZ-O 3.42Å
359G80.8Confident82.9Confident15 Ų1531.3 Ų31.316%0.15517%0.174CC..SBendtrans-81.4-173.8175.200000113.3R354 H357R354-G359 PolarHBondContact NH1-O 3.47Å; H357-G359 VanDerWaalsContact CE1-C 3.44Å; H357-G359 PolarHBondContact CE1-O 3.28Å; H357-G359 PolarHBondContact ND1-N 2.82Å; H357-G359 PolarHBondContact ND1-O 2.79Å
360F78.1Confident82.1Confident10 Ų1035 Ų354%0.04419%0.192CC..  trans-107-1-176.4-69.9-99.8000114.4H184 F210 W211 V229 K238 P240 F365H184-F360 HydrophobicContact CB-CE1 4Å; H184-F360 HydrophobicContact CB-CZ 4.21Å; H184-F360 AromaticContact CD2-CE1 3.78Å; H184-F360 AromaticContact CE1-CE1 3.83Å; H184-F360 AromaticContact CG-CE1 3.58Å; H184-F360 AromaticContact ND1-CE1 3.61Å; H184-F360 AromaticContact NE2-CE1 3.89Å; F210-F360 HydrophobicContact CD1-CD2 4.28Å; F210-F360 AromaticContact CD1-CE2 3.83Å; F210-F360 HydrophobicContact CD1-CE2 3.83Å; F210-F360 HydrophobicContact CE1-CD2 4.11Å; F210-F360 AromaticContact CE1-CE2 3.77Å; F210-F360 HydrophobicContact CE1-CE2 3.77Å; W211-F360 HydrophobicContact CB-CD2 4.48Å; W211-F360 HydrophobicContact CD2-CB 4.48Å; W211-F360 HydrophobicContact CE3-CB 4.42Å; W211-F360 HydrophobicContact CZ3-CB 4.42Å; V229-F360 HydrophobicContact CB-CE2 4.24Å; V229-F360 HydrophobicContact CG1-CD2 4.37Å; V229-F360 HydrophobicContact CG1-CE2 3.59Å; V229-F360 HydrophobicContact CG1-CZ 3.76Å; V229-F360 HydrophobicContact CG2-CD2 3.91Å; V229-F360 HydrophobicContact CG2-CE2 3.94Å; V229-F360 HydrophobicContact CG2-CG 4.27Å; V229-F360 HydrophobicContact CG2-CZ 4.29Å; K238-F360 HydrophobicContact CB-CE2 4.43Å; K238-F360 HydrophobicContact CB-CZ 3.81Å; K238-F360 HydrophobicContact CD-CE2 3.77Å; K238-F360 HydrophobicContact CD-CZ 3.71Å; K238-F360 HydrophobicContact CG-CZ 4.42Å; P240-F360 HydrophobicContact CG-CD1 4.11Å; P240-F360 HydrophobicContact CG-CE1 3.56Å; P240-F360 HydrophobicContact CG-CZ 4.05Å; F360-F365 HydrophobicContact CB-CE2 3.48Å; F360-F365 VanDerWaalsContact CB-CE2 3.48Å; F360-F365 HydrophobicContact CB-CZ 3.92Å; F360-F365 WeakPolarHBondContact O-CE2 3.19Å
361G67.4Low81.4Confident5 Ų535.1 Ų35.15%0.05219%0.194CC..  trans73.383.1171.600000114.5D326 G363 N364 F365D326-G361 WeakPolarHBondContact OD2-CA 3.31Å; G361-G363 PolarHBondContact O-N 2.62Å; G361-N364 PolarHBondContact O-N 3.37Å; G361-F365 WeakPolarHBondContact O-CD2 3.27Å; G361-F365 PolarHBondContact O-N 2.98Å; G361-F365 VanDerWaalsContact O-N 3.15Å
362A66.9Low80.7Confident39 Ų3935.7 Ų35.732%0.32220%0.197SC..Hα-helixtrans-59.5-27.8176.700000113.1W211 V213W211-A362 HydrophobicContact CZ2-CB 3.95Å; V213-A362 HydrophobicContact CG1-CB 4.47Å
363G65.2Low80.1Confident50 Ų5036.2 Ų36.252%0.51520%0.199SC..Hα-helixtrans-73-38.9-176.500000112.6D326 G361D326-G363 PolarHBondContact OD2-N 2.82Å; G361-G363 PolarHBondContact O-N 2.62Å
364N64.9Low79.5Confident5 Ų538.5 Ų38.53%0.02722%0.22CC..Hα-helixtrans-86-23.5177.6-102.41.2000114.3Y296 V325 D326 G361 K366 S367 L368Y296-N364 PolarHBondContact OH-OD1 3.1Å; V325-N364 VanDerWaalsContact C-CG 3.46Å; V325-N364 WeakPolarHBondContact CA-ND2 3.49Å; V325-N364 PolarHBondContact N-ND2 3.19Å; V325-N364 VanDerWaalsContact N-ND2 3.12Å; V325-N364 VanDerWaalsContact O-CG 3.27Å; V325-N364 PolarHBondContact O-ND2 3.03Å; V325-N364 PolarHBondContact O-OD1 3.28Å; D326-N364 HydrophobicContact CB-CB 3.65Å; D326-N364 PolarHBondContact N-ND2 3.36Å; D326-N364 PolarHBondContact OD2-N 3.21Å; G361-N364 PolarHBondContact O-N 3.37Å; N364-K366 PolarHBondContact O-N 2.9Å; N364-S367 PolarHBondContact O-N 3.44Å; N364-L368 WeakPolarHBondContact O-CG 3.13Å; N364-L368 PolarHBondContact O-N 3.46Å
365F67.8Low79Confident33 Ų3338.2 Ų38.215%0.14522%0.221CC..Hα-helixtrans-51.6-35.1177.4-97.1-72.8000112.1W211 L218 F360 G361 L368 F369W211-F365 AromaticContact CH2-CD2 3.52Å; W211-F365 HydrophobicContact CH2-CD2 3.52Å; W211-F365 AromaticContact CH2-CE2 3.26Å; W211-F365 HydrophobicContact CH2-CE2 3.26Å; W211-F365 HydrophobicContact CH2-CZ 4.2Å; W211-F365 HydrophobicContact CZ2-CD2 4.27Å; W211-F365 HydrophobicContact CZ2-CE2 4.11Å; W211-F365 HydrophobicContact CZ3-CD2 4.26Å; W211-F365 AromaticContact CZ3-CE2 3.6Å; W211-F365 HydrophobicContact CZ3-CE2 3.6Å; W211-F365 HydrophobicContact CZ3-CZ 4.13Å; L218-F365 HydrophobicContact CD1-CB 3.76Å; L218-F365 HydrophobicContact CD1-CD1 3.92Å; L218-F365 HydrophobicContact CD1-CD2 4.39Å; L218-F365 HydrophobicContact CD1-CG 3.81Å; L218-F365 HydrophobicContact CD2-CB 3.28Å; L218-F365 HydrophobicContact CD2-CG 4.16Å; L218-F365 HydrophobicContact CG-CB 4.2Å; F360-F365 HydrophobicContact CB-CE2 3.48Å; F360-F365 VanDerWaalsContact CB-CE2 3.48Å; F360-F365 HydrophobicContact CB-CZ 3.92Å; F360-F365 WeakPolarHBondContact O-CE2 3.19Å; G361-F365 WeakPolarHBondContact O-CD2 3.27Å; G361-F365 PolarHBondContact O-N 2.98Å; G361-F365 VanDerWaalsContact O-N 3.15Å; F365-L368 HydrophobicContact CD1-CD1 4.34Å; F365-F369 WeakPolarHBondContact O-CB 3.3Å; F365-F369 PolarHBondContact O-N 2.93Å
366K73.4Confident78.6Confident99 Ų9935.5 Ų35.543%0.4321%0.208SC..Hα-helixtrans-62.2-49.7172.9-169.3-178.6-178.5-164.20112.6N364 F369 E370N364-K366 PolarHBondContact O-N 2.9Å; K366-F369 WeakPolarHBondContact O-CB 3.43Å; K366-F369 PolarHBondContact O-N 3.29Å; K366-E370 WeakPolarHBondContact CE-OE1 3.21Å; K366-E370 IonicContact NZ-OE1 3.11Å; K366-E370 WeakPolarHBondContact O-CG 3.45Å; K366-E370 PolarHBondContact O-N 3.12Å
367S76.8Confident78.4Confident15 Ų1534.2 Ų34.211%0.10520%0.197CC..Hα-helixtrans-70.7-32.5-178.9-61.90000113.2Y296 N364 F369 A371Y296-S367 WeakPolarHBondContact CD2-OG 3.5Å; Y296-S367 WeakPolarHBondContact CE2-OG 3.3Å; N364-S367 PolarHBondContact O-N 3.44Å; S367-F369 VanDerWaalsContact C-N 3.34Å; S367-A371 PolarHBondContact O-N 3.43Å; S367-A371 VanDerWaalsContact O-N 3.08Å
368L77.5Confident78.5Confident4 Ų437.7 Ų37.72%0.02123%0.228CC..Hα-helixtrans-60.8-46167.7-69.5166.7000111.1L324 Q335 F337 N364 F365 A371 I372L324-L368 HydrophobicContact CD1-CD2 3.24Å; L324-L368 HydrophobicContact CD1-CG 3.91Å; Q335-L368 VanDerWaalsContact CD-CD1 3.44Å; Q335-L368 HydrophobicContact CG-CD2 4.04Å; F337-L368 HydrophobicContact CD2-CD2 3.98Å; F337-L368 HydrophobicContact CE1-CD2 4.15Å; F337-L368 HydrophobicContact CE2-CB 3.85Å; F337-L368 HydrophobicContact CE2-CD1 4.28Å; F337-L368 HydrophobicContact CE2-CD2 3.52Å; F337-L368 HydrophobicContact CE2-CG 4.08Å; F337-L368 HydrophobicContact CG-CD2 4.49Å; F337-L368 HydrophobicContact CZ-CB 4.37Å; F337-L368 HydrophobicContact CZ-CD1 3.98Å; F337-L368 HydrophobicContact CZ-CD2 3.63Å; F337-L368 HydrophobicContact CZ-CG 4.2Å; N364-L368 WeakPolarHBondContact O-CG 3.13Å; N364-L368 PolarHBondContact O-N 3.46Å; F365-L368 HydrophobicContact CD1-CD1 4.34Å; L368-A371 WeakPolarHBondContact O-CB 3.35Å; L368-A371 PolarHBondContact O-N 2.85Å; L368-I372 WeakPolarHBondContact O-CG1 3.41Å; L368-I372 PolarHBondContact O-N 2.83Å
369F78.6Confident78.8Confident8 Ų836 Ų364%0.03522%0.217CC..Hα-helixtrans-65.4-42.6179.9-170.9-69.3000110.7T220 S223 L225 Q252 F365 K366 S367 A371 I372 E373T220-F369 HydrophobicContact CG2-CD1 3.22Å; T220-F369 HydrophobicContact CG2-CE1 3.6Å; T220-F369 HydrophobicContact CG2-CG 4.22Å; S223-F369 WeakPolarHBondContact OG-CE1 3.17Å; S223-F369 WeakPolarHBondContact OG-CZ 3.13Å; L225-F369 HydrophobicContact CB-CE2 4.29Å; L225-F369 HydrophobicContact CD2-CD2 3.72Å; L225-F369 HydrophobicContact CD2-CE2 3.67Å; L225-F369 HydrophobicContact CG-CD2 4.14Å; L225-F369 HydrophobicContact CG-CE2 3.9Å; Q252-F369 HydrophobicContact CG-CE2 4.11Å; Q252-F369 HydrophobicContact CG-CZ 4.43Å; F365-F369 WeakPolarHBondContact O-CB 3.3Å; F365-F369 PolarHBondContact O-N 2.93Å; K366-F369 WeakPolarHBondContact O-CB 3.43Å; K366-F369 PolarHBondContact O-N 3.29Å; S367-F369 VanDerWaalsContact C-N 3.34Å; F369-A371 VanDerWaalsContact C-N 3.25Å; F369-A371 PolarHBondContact O-N 3.05Å; F369-I372 PolarHBondContact O-N 3.04Å; F369-E373 HydrophobicContact CD1-CB 4.33Å; F369-E373 HydrophobicContact CE1-CB 4.39Å; F369-E373 WeakPolarHBondContact O-CB 3.18Å; F369-E373 PolarHBondContact O-N 2.86Å
370E81.4Confident79.3Confident77 Ų7737.7 Ų37.736%0.3623%0.234SC..Hα-helixtrans-59.3-36.7173.5-72.2169.1172.300111.7T220 K366 A374T220-E370 HydrophobicContact CG2-CG 3.65Å; K366-E370 WeakPolarHBondContact CE-OE1 3.21Å; K366-E370 IonicContact NZ-OE1 3.11Å; K366-E370 WeakPolarHBondContact O-CG 3.45Å; K366-E370 PolarHBondContact O-N 3.12Å; E370-A374 WeakPolarHBondContact O-CB 3.43Å; E370-A374 PolarHBondContact O-N 3.08Å
371A83.6Confident79.8Confident7 Ų738.3 Ų38.36%0.05824%0.238CC..Hα-helixtrans-66.7-44.3174.900000112.4M290 V292 S367 L368 F369 D375M290-A371 HydrophobicContact CB-CB 4.42Å; V292-A371 HydrophobicContact CG1-CB 3.73Å; S367-A371 PolarHBondContact O-N 3.43Å; S367-A371 VanDerWaalsContact O-N 3.08Å; L368-A371 WeakPolarHBondContact O-CB 3.35Å; L368-A371 PolarHBondContact O-N 2.85Å; F369-A371 VanDerWaalsContact C-N 3.25Å; F369-A371 PolarHBondContact O-N 3.05Å; A371-D375 PolarHBondContact O-N 3.45Å
372I83.9Confident80.6Confident12 Ų1238.6 Ų38.66%0.06224%0.238CC..Hα-helixtrans-66.3-42.3176.2-64.4166.2000110.5Q252 M290 F337 F348 L368 F369 A374 D375 Q376Q252-I372 HydrophobicContact CB-CG2 3.85Å; Q252-I372 HydrophobicContact CG-CG2 4.08Å; Q252-I372 VanDerWaalsContact OE1-CG2 3.23Å; M290-I372 HydrophobicContact CE-CG1 4.15Å; M290-I372 HydrophobicContact SD-CB 4.42Å; M290-I372 HydrophobicContact SD-CG1 3.63Å; F337-I372 HydrophobicContact CD2-CD1 3.89Å; F337-I372 HydrophobicContact CD2-CG1 4.06Å; F337-I372 HydrophobicContact CE2-CD1 3.67Å; F337-I372 HydrophobicContact CE2-CG1 4.31Å; F348-I372 HydrophobicContact CZ-CD1 4.06Å; L368-I372 WeakPolarHBondContact O-CG1 3.41Å; L368-I372 PolarHBondContact O-N 2.83Å; F369-I372 PolarHBondContact O-N 3.04Å; I372-A374 VanDerWaalsContact C-N 3.33Å; I372-A374 PolarHBondContact O-N 3.26Å; I372-D375 CarbonylContact O-C 3.58Å; I372-D375 WeakPolarHBondContact O-CB 3.5Å; I372-D375 PolarHBondContact O-N 3.13Å; I372-D375 VanDerWaalsContact O-N 3.13Å; I372-Q376 PolarHBondContact O-N 3.36Å
373E85.3Confident81.4Confident15 Ų1537.8 Ų37.87%0.0723%0.229CC..Hα-helixtrans-63.8-37.4179.5-176.7171.5-101.800111.5T220 F222 S223 F369 D375 Q376 H377 L382T220-E373 WeakPolarHBondContact CB-OE2 3.43Å; T220-E373 VanDerWaalsContact OG1-CD 3.28Å; T220-E373 PolarHBondContact OG1-OE1 3.02Å; T220-E373 PolarHBondContact OG1-OE2 3.32Å; F222-E373 WeakPolarHBondContact CB-OE1 3.39Å; S223-E373 PolarHBondContact N-OE1 2.73Å; S223-E373 PolarHBondContact OG-OE1 3.13Å; F369-E373 HydrophobicContact CD1-CB 4.33Å; F369-E373 HydrophobicContact CE1-CB 4.39Å; F369-E373 WeakPolarHBondContact O-CB 3.18Å; F369-E373 PolarHBondContact O-N 2.86Å; E373-D375 VanDerWaalsContact C-N 3.33Å; E373-Q376 PolarHBondContact O-N 2.94Å; E373-H377 WeakPolarHBondContact O-CB 3.38Å; E373-H377 PolarHBondContact O-N 3.03Å; E373-L382 HydrophobicContact CG-CD1 3.75Å; E373-L382 HydrophobicContact CG-CD2 3.5Å; E373-L382 VanDerWaalsContact CG-CD2 3.5Å; E373-L382 HydrophobicContact CG-CG 4.24Å
374A85Confident82Confident58 Ų5839.1 Ų39.148%0.47922%0.224SC..Hα-helixtrans-62.3-41.2172.600000111.9E370 I372 H377 A378E370-A374 WeakPolarHBondContact O-CB 3.43Å; E370-A374 PolarHBondContact O-N 3.08Å; I372-A374 VanDerWaalsContact C-N 3.33Å; I372-A374 PolarHBondContact O-N 3.26Å; A374-H377 PolarHBondContact O-N 2.86Å; A374-A378 PolarHBondContact O-N 3.35Å
375D86.3Confident82.1Confident28 Ų2841.5 Ų41.515%0.1524%0.236CC..Hα-helixtrans-69.2-39.2176.7-158.949.3000111.2A371 I372 E373 H377 A378 R379A371-D375 PolarHBondContact O-N 3.45Å; I372-D375 CarbonylContact O-C 3.58Å; I372-D375 WeakPolarHBondContact O-CB 3.5Å; I372-D375 PolarHBondContact O-N 3.13Å; I372-D375 VanDerWaalsContact O-N 3.13Å; E373-D375 VanDerWaalsContact C-N 3.33Å; D375-H377 VanDerWaalsContact C-N 3.33Å; D375-H377 PolarHBondContact O-N 3.32Å; D375-A378 WeakPolarHBondContact O-CB 3.36Å; D375-A378 PolarHBondContact O-N 2.7Å; D375-R379 PolarHBondContact O-N 3.4Å; D375-R379 VanDerWaalsContact O-N 3.15Å; D375-R379 PolarHBondContact O-NH1 3.17Å; D375-R379 IonicContact OD1-NH1 2.96Å; D375-R379 IonicContact OD2-CZ 3.28Å; D375-R379 IonicContact OD2-NH1 3.33Å; D375-R379 PolarHBondContact OD2-NH1 3.4Å; D375-R379 IonicContact OD2-NH2 3.91Å
376Q88.1Confident81.6Confident0 Ų041.2 Ų41.20%024%0.238CC..Hα-helixtrans-61.2-40.7171.5179.9-175.610.700111.8K250 E255 I372 E373 R379 G380 N381 L382K250-Q376 PolarHBondContact O-NE2 2.79Å; E255-Q376 WeakPolarHBondContact OE2-CG 3.5Å; I372-Q376 PolarHBondContact O-N 3.36Å; E373-Q376 PolarHBondContact O-N 2.94Å; Q376-R379 VanDerWaalsContact CA-NH2 3.28Å; Q376-R379 PolarHBondContact O-N 3.37Å; Q376-G380 PolarHBondContact O-N 3.42Å; Q376-N381 HydrophobicContact CG-CB 3.95Å; Q376-N381 PolarHBondContact NE2-O 3.39Å; Q376-N381 VanDerWaalsContact NE2-O 3.14Å; Q376-N381 PolarHBondContact O-N 2.76Å; Q376-L382 HydrophobicContact CG-CB 4.08Å; Q376-L382 HydrophobicContact CG-CD1 4.48Å
377H87.3Confident80.4Confident116 Ų11643 Ų4354%0.53726%0.259SS..Hα-helixtrans-65.1-42.2175.5-175.759.4000111.6E373 A374 D375 R379 G380 L382E373-H377 WeakPolarHBondContact O-CB 3.38Å; E373-H377 PolarHBondContact O-N 3.03Å; A374-H377 PolarHBondContact O-N 2.86Å; D375-H377 VanDerWaalsContact C-N 3.33Å; D375-H377 PolarHBondContact O-N 3.32Å; H377-R379 PolarHBondContact O-N 2.94Å; H377-G380 WeakPolarHBondContact O-CA 3.45Å; H377-G380 PolarHBondContact O-N 2.72Å; H377-L382 HydrophobicContact CB-CB 4.12Å; H377-L382 HydrophobicContact CB-CD2 4.01Å
378A87.3Confident79.3Confident85 Ų8549.2 Ų49.270%0.70229%0.291SS*.Hα-helixtrans-61.1-28.7176.200000113A374 D375 G380A374-A378 PolarHBondContact O-N 3.35Å; D375-A378 WeakPolarHBondContact O-CB 3.36Å; D375-A378 PolarHBondContact O-N 2.7Å; A378-G380 VanDerWaalsContact C-N 3.33Å
379R90.4Very high78Confident75 Ų7551.3 Ų51.328%0.28331%0.314SS..THydrogen-bonded Turntrans-80.3-8.5171.7-68.6-177-68.9-87.38.6114.6E255 P345 D375 Q376 H377 N381E255-R379 IonicContact OE1-CZ 2.78Å; E255-R379 IonicContact OE1-NE 2.64Å; E255-R379 PolarHBondContact OE1-NE 2.88Å; E255-R379 IonicContact OE1-NH2 3.97Å; E255-R379 PolarHBondContact OE1-NH2 3.31Å; E255-R379 IonicContact OE2-CZ 3.12Å; E255-R379 IonicContact OE2-NE 3.35Å; E255-R379 IonicContact OE2-NH2 3.03Å; E255-R379 PolarHBondContact OE2-NH2 3.24Å; P345-R379 VanDerWaalsContact CB-NE 3.34Å; D375-R379 PolarHBondContact O-N 3.4Å; D375-R379 VanDerWaalsContact O-N 3.15Å; D375-R379 PolarHBondContact O-NH1 3.17Å; D375-R379 IonicContact OD1-NH1 2.96Å; D375-R379 IonicContact OD2-CZ 3.28Å; D375-R379 IonicContact OD2-NH1 3.33Å; D375-R379 PolarHBondContact OD2-NH1 3.4Å; D375-R379 IonicContact OD2-NH2 3.91Å; Q376-R379 VanDerWaalsContact CA-NH2 3.28Å; Q376-R379 PolarHBondContact O-N 3.37Å; H377-R379 PolarHBondContact O-N 2.94Å; R379-N381 VanDerWaalsContact C-N 3.33Å
380G89.6Confident76.7Confident51 Ų5156 Ų5653%0.52634%0.339SS..THydrogen-bonded Turntrans78.710.7-175.500000114.8Q376 H377 A378Q376-G380 PolarHBondContact O-N 3.42Å; H377-G380 WeakPolarHBondContact O-CA 3.45Å; H377-G380 PolarHBondContact O-N 2.72Å; A378-G380 VanDerWaalsContact C-N 3.33Å
381N88.6Confident75.2Confident22 Ų2255.6 Ų55.612%0.11834%0.342CS..  trans-96-0.9-173.6-69.4-32.7000114E255 Y259 Q376 R379 T383E255-N381 HydrophobicContact CG-CB 4.16Å; E255-N381 WeakPolarHBondContact OE1-CB 3.5Å; E255-N381 PolarHBondContact OE1-ND2 2.63Å; Y259-N381 VanDerWaalsContact CE2-ND2 3.28Å; Y259-N381 WeakPolarHBondContact CE2-ND2 3.49Å; Y259-N381 PolarHBondContact OH-ND2 2.85Å; Y259-N381 VanDerWaalsContact OH-ND2 3.14Å; Y259-N381 PolarHBondContact OH-OD1 2.68Å; Y259-N381 VanDerWaalsContact OH-OD1 3.1Å; Q376-N381 HydrophobicContact CG-CB 3.95Å; Q376-N381 PolarHBondContact NE2-O 3.39Å; Q376-N381 VanDerWaalsContact NE2-O 3.14Å; Q376-N381 PolarHBondContact O-N 2.76Å; R379-N381 VanDerWaalsContact C-N 3.33Å; N381-T383 PolarHBondContact O-N 2.75Å
382L84.9Confident73.3Confident11 Ų1162.5 Ų62.56%0.05837%0.371CS..  trans-83.863174.4-16764.6000110.5R249 E373 Q376 H377R249-L382 HydrophobicContact CB-CD1 3.84Å; R249-L382 HydrophobicContact CB-CG 4.1Å; R249-L382 WeakPolarHBondContact CD-O 3.45Å; R249-L382 HydrophobicContact CG-CG 4.49Å; R249-L382 PolarHBondContact NH1-O 3.37Å; E373-L382 HydrophobicContact CG-CD1 3.75Å; E373-L382 HydrophobicContact CG-CD2 3.5Å; E373-L382 VanDerWaalsContact CG-CD2 3.5Å; E373-L382 HydrophobicContact CG-CG 4.24Å; Q376-L382 HydrophobicContact CG-CB 4.08Å; Q376-L382 HydrophobicContact CG-CD1 4.48Å; H377-L382 HydrophobicContact CB-CB 4.12Å; H377-L382 HydrophobicContact CB-CD2 4.01Å
383T83.7Confident71.3Confident22 Ų2267 Ų6714%0.13540%0.403CS..PPolyproline II helixtrans-86.2152.3-173.256.80000112.5R249 K250 N381R249-T383 CarbonylContact C-O 3.51Å; R249-T383 VanDerWaalsContact CA-O 3.25Å; R249-T383 WeakPolarHBondContact CA-O 3.4Å; R249-T383 WeakPolarHBondContact CB-O 3.42Å; K250-T383 WeakPolarHBondContact CE-OG1 3.49Å; K250-T383 PolarHBondContact N-O 3.46Å; N381-T383 PolarHBondContact O-N 2.75Å
384I78.3Confident69.2Low78 Ų7876.8 Ų76.840%0.445%0.452SS..BIsolated β-bridgetrans-68.8131.6173.3-59.8177.8000109M394I384-M394 HydrophobicContact CD1-CE 3.49Å; I384-M394 VanDerWaalsContact CD1-CE 3.49Å; I384-M394 HydrophobicContact CG1-CE 4.34Å
385L66.8Low68.4Low55 Ų5577.8 Ų77.829%0.28845%0.45SS..BIsolated β-bridgetrans-79.1125.8171.8-64.6172.2000108.7K250 T391K250-L385 HydrophobicContact CB-CD2 4.31Å; L385-T391 HydrophobicContact CD2-CG2 4.46Å
386T56.8Low67.4Low28 Ų2880.4 Ų80.417%0.17247%0.466CS..PPolyproline II helixtrans-69.9164.4169.562.20000110.3N388 G389 D390 K392T386-N388 PolarHBondContact O-N 2.9Å; T386-G389 PolarHBondContact O-N 3.08Å; T386-D390 WeakPolarHBondContact CB-O 3.34Å; T386-D390 VanDerWaalsContact CG2-O 3.31Å; T386-D390 WeakPolarHBondContact CG2-O 3.28Å; T386-D390 PolarHBondContact N-O 2.94Å; T386-D390 WeakPolarHBondContact OG1-CA 3.42Å; T386-D390 WeakPolarHBondContact OG1-CB 3.34Å; T386-D390 PolarHBondContact OG1-N 3.08Å; T386-D390 VanDerWaalsContact OG1-N 3.12Å; T386-D390 PolarHBondContact OG1-O 2.99Å; T386-K392 HydrophobicContact CG2-CB 4.44Å; T386-K392 HydrophobicContact CG2-CD 3.91Å; T386-K392 HydrophobicContact CG2-CG 3.76Å
387P49.4Very low66.3Low137 Ų13784.8 Ų84.889%0.8949%0.492SS*.THydrogen-bonded Turntrans-54.7-19.8177.9-26.835.3000114.8
388N53.5Low65.1Low144 Ų14483 Ų8377%0.7749%0.489SS*.THydrogen-bonded Turntrans-97.82.5178.7-62.1-10.1000113.5T386 D390T386-N388 PolarHBondContact O-N 2.9Å; N388-D390 VanDerWaalsContact C-N 3.31Å
389G50.3Low63.7Low48 Ų4882.9 Ų82.950%0.49548%0.476SS..SBendtrans85.8-7.6-176.900000114.9T386T386-G389 PolarHBondContact O-N 3.08Å
390D51.3Low61.9Low107 Ų10783.4 Ų83.457%0.57249%0.489SS*.PPolyproline II helixtrans-71.3143.5177.6-60.6-44.7000111.6T386 N388T386-D390 WeakPolarHBondContact CB-O 3.34Å; T386-D390 VanDerWaalsContact CG2-O 3.31Å; T386-D390 WeakPolarHBondContact CG2-O 3.28Å; T386-D390 PolarHBondContact N-O 2.94Å; T386-D390 WeakPolarHBondContact OG1-CA 3.42Å; T386-D390 WeakPolarHBondContact OG1-CB 3.34Å; T386-D390 PolarHBondContact OG1-N 3.08Å; T386-D390 VanDerWaalsContact OG1-N 3.12Å; T386-D390 PolarHBondContact OG1-O 2.99Å; N388-D390 VanDerWaalsContact C-N 3.31Å
391T49.2Very low59.9Low68 Ų6885.7 Ų85.742%0.41749%0.486SS..BIsolated β-bridgetrans-86.2123.3178.158.70000109.6L385L385-T391 HydrophobicContact CD2-CG2 4.46Å
392K44.6Very low57.7Low152 Ų15290.6 Ų90.666%0.66152%0.515SS*.PPolyproline II helixtrans-92116.5164.5-83.6-176.5177-176.60108T386 M394T386-K392 HydrophobicContact CG2-CB 4.44Å; T386-K392 HydrophobicContact CG2-CD 3.91Å; T386-K392 HydrophobicContact CG2-CG 3.76Å; K392-M394 PolarHBondContact O-N 3.05Å
393S40.4Very low55.4Low106 Ų10697.3 Ų97.374%0.74155%0.553SS**PPolyproline II helixtrans-60.8127.416156.90000107.9
394M41.1Very low52.9Low222 Ų222104.1 Ų104.1100%1.09459%0.591SS**  trans-72.80164-82.9-171-174.700110.1I384 K392I384-M394 HydrophobicContact CD1-CE 3.49Å; I384-M394 VanDerWaalsContact CD1-CE 3.49Å; I384-M394 HydrophobicContact CG1-CE 4.34Å; K392-M394 PolarHBondContact O-N 3.05Å

Retrieved 394 of 394 residues in 1272.7 ms (Link to these results)

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