A0A087YE28_POEFO Loading...

Pleckstrin homology domain containing B1

AlphaFold DB , UniProt , Accession A0A087YE28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 185 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
1M63Low89.4Confident151 Ų15160.5 Ų60.574%0.74431%0.31SS*.  0130.20-75.8165.571.900107.5W27 D29M1-W27 HydrophobicContact CB-CE3 3.76Å; M1-W27 HydrophobicContact CB-CZ3 4.05Å; M1-W27 HydrophobicContact CE-CB 4.22Å; M1-W27 HydrophobicContact CE-CD2 4.35Å; M1-W27 HydrophobicContact CE-CG 4.2Å; M1-W27 WeakPolarHBondContact O-CZ3 3.24Å; M1-D29 VanDerWaalsContact CE-OD2 3.24Å; M1-D29 WeakPolarHBondContact CE-OD2 3.36Å
2A80.7Confident89.9Confident53 Ų5357.9 Ų57.944%0.43830%0.295SS..  trans-87.6135.7179.100000110.5I28A2-I28 HydrophobicContact CB-CB 4.26Å; A2-I28 HydrophobicContact CB-CD1 4.2Å; A2-I28 HydrophobicContact CB-CG2 3.99Å; A2-I28 PolarHBondContact O-N 3.1Å
3L84.1Confident90Very high69 Ų6954.9 Ų54.936%0.36128%0.282SS..EExtended strand (participates in β ladder)trans-83.7127.4175.3-175.772.6000108.5D25 W27L3-D25 HydrophobicContact CD1-CB 3.69Å; L3-W27 HydrophobicContact CB-CE3 4.35Å; L3-W27 HydrophobicContact CB-CZ3 4.16Å; L3-W27 HydrophobicContact CD1-CD2 4.31Å; L3-W27 HydrophobicContact CD1-CE3 4.37Å; L3-W27 HydrophobicContact CD1-CH2 4.4Å; L3-W27 HydrophobicContact CD1-CZ2 4.32Å; L3-W27 HydrophobicContact CD1-CZ3 4.41Å
4L88.4Confident89.5Confident73 Ų7356.9 Ų56.938%0.38231%0.31SS..EExtended strand (participates in β ladder)trans-89.6-47.5176.5-73.6174.2000111.4L26 I28 T107L4-L26 HydrophobicContact CB-CG 4.33Å; L4-L26 HydrophobicContact CD1-CG 4.39Å; L4-L26 PolarHBondContact N-O 3.39Å; L4-I28 HydrophobicContact CD1-CB 4.47Å; L4-I28 HydrophobicContact CD2-CG1 4.49Å; L4-I28 HydrophobicContact CG-CB 4.25Å; L4-T107 HydrophobicContact CD1-CG2 4.05Å; L4-T107 WeakPolarHBondContact CD1-OG1 3.39Å
5K92.6Very high89.1Confident56 Ų5663.7 Ų63.724%0.24334%0.344CS..EExtended strand (participates in β ladder)trans-152.1145.7-178.1-171.7174.1175.8710109.9L26 W100 T103K5-L26 HydrophobicContact CB-CB 4.44Å; K5-L26 PolarHBondContact N-O 3.03Å; K5-L26 PolarHBondContact O-N 3.2Å; K5-W100 HydrophobicContact CB-CH2 4.28Å; K5-W100 HydrophobicContact CB-CZ3 4.23Å; K5-W100 HydrophobicContact CD-CD2 3.8Å; K5-W100 HydrophobicContact CD-CE3 3.76Å; K5-W100 HydrophobicContact CD-CG 4.46Å; K5-W100 HydrophobicContact CD-CH2 4.08Å; K5-W100 HydrophobicContact CD-CZ2 4.11Å; K5-W100 HydrophobicContact CD-CZ3 3.9Å; K5-W100 VanDerWaalsContact CE-CD2 3.43Å; K5-W100 HydrophobicContact CG-CE3 4.39Å; K5-W100 HydrophobicContact CG-CH2 3.83Å; K5-W100 HydrophobicContact CG-CZ2 4.02Å; K5-W100 HydrophobicContact CG-CZ3 4.02Å; K5-T103 HydrophobicContact CB-CG2 4.26Å; K5-T103 HydrophobicContact CD-CG2 4.46Å
6S95.5Very high89Confident46 Ų4668.6 Ų68.632%0.32237%0.369SS..EExtended strand (participates in β ladder)trans-139.4157.7170.857.70000111C24 D25S6-C24 CarbonylContact C-O 3.45Å; S6-C24 WeakPolarHBondContact CA-O 3.36Å; S6-D25 WeakPolarHBondContact CB-OD1 3.35Å
7G95.8Very high89Confident14 Ų1471.5 Ų71.514%0.14438%0.377CS..EExtended strand (participates in β ladder)trans165.5171.5175.200000113.2C24G7-C24 PolarHBondContact N-O 3.31Å; G7-C24 WeakPolarHBondContact O-CB 3.25Å; G7-C24 PolarHBondContact O-N 3.09Å
8W96Very high89.2Confident108 Ų10877.4 Ų77.441%0.40939%0.394SS..EExtended strand (participates in β ladder)trans-76.2130.6174.6-70.5105.3000110.6L21 N22 W23 D38W8-L21 HydrophobicContact CB-CD1 4.16Å; W8-L21 HydrophobicContact CD2-CD2 4.5Å; W8-L21 HydrophobicContact CD2-CG 4.44Å; W8-L21 HydrophobicContact CE3-CD1 4.25Å; W8-L21 HydrophobicContact CE3-CD2 4.06Å; W8-L21 HydrophobicContact CE3-CG 3.68Å; W8-L21 HydrophobicContact CZ3-CD2 4.43Å; W8-L21 HydrophobicContact CZ3-CG 4.17Å; W8-N22 VanDerWaalsContact CE3-C 3.45Å; W8-W23 AromaticContact CD1-CE3 3.79Å; W8-W23 AromaticContact CD1-CZ3 3.62Å; W8-W23 AromaticContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CZ3 4.4Å; W8-W23 AromaticContact CE2-CE3 3.55Å; W8-W23 HydrophobicContact CE3-CB 4.31Å; W8-W23 HydrophobicContact CE3-CE3 4.44Å; W8-W23 AromaticContact CG-CE3 3.95Å; W8-W23 HydrophobicContact CG-CE3 3.95Å; W8-W23 HydrophobicContact CG-CZ3 4.19Å; W8-W23 HydrophobicContact CH2-CB 4.42Å; W8-W23 HydrophobicContact CZ2-CE3 4.08Å; W8-W23 HydrophobicContact CZ3-CB 4.17Å; W8-W23 AromaticContact NE1-CE3 3.53Å; W8-W23 AromaticContact NE1-CZ3 3.48Å; W8-D38 HydrophobicContact CZ2-CB 4.22Å
9L96.2Very high89.5Confident1 Ų175.3 Ų75.31%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-136.1139.4173-74.9178.9000109.6N22 C24 L89 A91 W100L9-N22 PolarHBondContact N-O 2.99Å; L9-N22 PolarHBondContact O-N 2.76Å; L9-C24 HydrophobicContact CB-CB 4.37Å; L9-C24 HydrophobicContact CD1-CB 3.99Å; L9-C24 HydrophobicContact CG-CB 4.33Å; L9-L89 HydrophobicContact CD1-CD1 4.16Å; L9-A91 HydrophobicContact CD2-CB 3.94Å; L9-W100 HydrophobicContact CD1-CD2 3.83Å; L9-W100 HydrophobicContact CD1-CE3 4.24Å; L9-W100 HydrophobicContact CD1-CG 4.27Å; L9-W100 HydrophobicContact CD1-CH2 4.27Å; L9-W100 HydrophobicContact CD1-CZ2 3.87Å; L9-W100 HydrophobicContact CD1-CZ3 4.44Å; L9-W100 HydrophobicContact CD2-CG 4.43Å; L9-W100 HydrophobicContact CG-CZ2 4.16Å
10W95.8Very high89.8Confident76 Ų7675.8 Ų75.829%0.28838%0.38SS..EExtended strand (participates in β ladder)trans-74.1132.1164.5-65.294.3000108.5W19 K20 L21 P68 L89 C90W10-W19 HydrophobicContact CB-CE3 3.82Å; W10-W19 HydrophobicContact CB-CZ3 4.27Å; W10-W19 HydrophobicContact CE3-CB 4.25Å; W10-K20 CarbonylContact C-O 3.53Å; W10-K20 WeakPolarHBondContact CA-O 3.46Å; W10-L21 HydrophobicContact CD2-CB 4.22Å; W10-L21 HydrophobicContact CD2-CD1 3.92Å; W10-L21 HydrophobicContact CE3-CB 3.93Å; W10-L21 HydrophobicContact CE3-CD1 4.49Å; W10-L21 HydrophobicContact CG-CD1 4.15Å; W10-L21 HydrophobicContact CH2-CB 3.97Å; W10-L21 HydrophobicContact CZ2-CB 4.25Å; W10-L21 HydrophobicContact CZ2-CD1 4.17Å; W10-L21 HydrophobicContact CZ2-CD2 4.5Å; W10-L21 HydrophobicContact CZ3-CB 3.81Å; W10-P68 HydrophobicContact CB-CG 4.19Å; W10-P68 HydrophobicContact CD2-CG 4.47Å; W10-P68 HydrophobicContact CG-CG 4.14Å; W10-L89 CarbonylContact O-C 3.53Å; W10-L89 WeakPolarHBondContact O-CA 3.36Å; W10-C90 HydrophobicContact CB-CB 3.95Å; W10-C90 WeakPolarHBondContact CB-O 3.42Å; W10-C90 PolarHBondContact N-O 3.02Å; W10-C90 PolarHBondContact O-N 2.82Å
11R95.3Very high90Very high18 Ų1875.8 Ų75.87%0.06838%0.381CS..EExtended strand (participates in β ladder)trans-121.1133.6177.4-178.2-175.866.194.80.1109.7W19 K20 N22 E44 L87 L89R11-W19 WeakPolarHBondContact O-CA 3.36Å; R11-K20 PolarHBondContact N-O 3.19Å; R11-K20 PolarHBondContact O-N 2.93Å; R11-N22 PolarHBondContact NE-OD1 3.13Å; R11-E44 IonicContact CZ-OE2 3.5Å; R11-E44 IonicContact NH2-OE2 3.4Å; R11-E44 PolarHBondContact NH2-OE2 2.83Å; R11-L87 HydrophobicContact CG-CD1 3.93Å; R11-L89 HydrophobicContact CB-CD2 3.93Å; R11-L89 HydrophobicContact CG-CD2 3.88Å
12Q94.9Very high91.6Very high30 Ų3068.7 Ų68.714%0.1435%0.346CS..EExtended strand (participates in β ladder)trans-84.5127.2172.9-156.3179.12300110.5K17 W19 N88Q12-K17 WeakPolarHBondContact CG-O 3.22Å; Q12-K17 PolarHBondContact NE2-O 3.39Å; Q12-W19 HydrophobicContact CB-CD2 4.08Å; Q12-W19 HydrophobicContact CB-CE3 3.97Å; Q12-W19 HydrophobicContact CB-CH2 4.14Å; Q12-W19 HydrophobicContact CB-CZ2 4.22Å; Q12-W19 HydrophobicContact CB-CZ3 4Å; Q12-W19 HydrophobicContact CG-CD2 4.26Å; Q12-W19 HydrophobicContact CG-CZ2 4.46Å; Q12-N88 HydrophobicContact CB-CB 3.91Å; Q12-N88 PolarHBondContact N-O 2.82Å; Q12-N88 PolarHBondContact OE1-ND2 2.82Å
13T91.6Very high92.3Very high19 Ų1968 Ų6812%0.11733%0.332CS..  trans-69.5138.4175.251.70000111.1I15 K17 R18 K20T13-I15 PolarHBondContact O-N 3.01Å; T13-K17 VanDerWaalsContact O-CA 3.25Å; T13-K17 WeakPolarHBondContact O-CA 3.22Å; T13-K17 PolarHBondContact O-N 2.93Å; T13-K17 VanDerWaalsContact O-N 3.09Å; T13-R18 PolarHBondContact N-O 2.9Å; T13-R18 PolarHBondContact OG1-N 2.77Å; T13-R18 VanDerWaalsContact OG1-N 3.09Å; T13-R18 PolarHBondContact OG1-O 2.96Å; T13-K20 HydrophobicContact CG2-CD 3.84Å; T13-K20 HydrophobicContact CG2-CG 4.22Å
14A83.5Confident92.9Very high82 Ų8264.7 Ų64.768%0.67832%0.315SS*.THydrogen-bonded Turntrans-63.9-38.9-175.300000113.3
15I83.8Confident93.3Very high159 Ų15961.2 Ų61.282%0.81530%0.296SS*.THydrogen-bonded Turntrans-84.9-55.1-172.5-58.7164.3000111.8T13T13-I15 PolarHBondContact O-N 3.01Å
16L86.8Confident93.3Very high143 Ų14358.6 Ų58.675%0.74929%0.285SS*.THydrogen-bonded Turntrans-93.1-3.1-173.1-65.9174.1000113.5R18L16-R18 HydrophobicContact CB-CB 4.5Å; L16-R18 PolarHBondContact O-N 3.09Å
17K89.8Confident93Very high118 Ų11858.6 Ų58.651%0.51328%0.278SS..  trans52.621.1-176.7-61.6-62.2-176-179.40114.5Q12 T13Q12-K17 WeakPolarHBondContact CG-O 3.22Å; Q12-K17 PolarHBondContact NE2-O 3.39Å; T13-K17 VanDerWaalsContact O-CA 3.25Å; T13-K17 WeakPolarHBondContact O-CA 3.22Å; T13-K17 PolarHBondContact O-N 2.93Å; T13-K17 VanDerWaalsContact O-N 3.09Å
18R92.7Very high92.4Very high177 Ų17760.3 Ų60.367%0.66828%0.283SS*.  trans-83.7136.2176.8-172.1178.6-171.8-174.54.2110.5T13 L16T13-R18 PolarHBondContact N-O 2.9Å; T13-R18 PolarHBondContact OG1-N 2.77Å; T13-R18 VanDerWaalsContact OG1-N 3.09Å; T13-R18 PolarHBondContact OG1-O 2.96Å; L16-R18 HydrophobicContact CB-CB 4.5Å; L16-R18 PolarHBondContact O-N 3.09Å
19W94.3Very high91.8Very high37 Ų3757.9 Ų57.914%0.1428%0.278CS..EExtended strand (participates in β ladder)trans-76.4131.5170.9-67.8103.3000111.1W10 R11 Q12 V65 N66 P68 L76 N88 C90W10-W19 HydrophobicContact CB-CE3 3.82Å; W10-W19 HydrophobicContact CB-CZ3 4.27Å; W10-W19 HydrophobicContact CE3-CB 4.25Å; R11-W19 WeakPolarHBondContact O-CA 3.36Å; Q12-W19 HydrophobicContact CB-CD2 4.08Å; Q12-W19 HydrophobicContact CB-CE3 3.97Å; Q12-W19 HydrophobicContact CB-CH2 4.14Å; Q12-W19 HydrophobicContact CB-CZ2 4.22Å; Q12-W19 HydrophobicContact CB-CZ3 4Å; Q12-W19 HydrophobicContact CG-CD2 4.26Å; Q12-W19 HydrophobicContact CG-CZ2 4.46Å; W19-V65 HydrophobicContact CH2-CG1 4.44Å; W19-V65 HydrophobicContact CZ2-CG1 4.02Å; W19-N66 VanDerWaalsContact CZ2-O 3.32Å; W19-N66 WeakPolarHBondContact CZ2-O 3.08Å; W19-N66 PolarHBondContact NE1-O 3.36Å; W19-N66 VanDerWaalsContact NE1-O 3.1Å; W19-P68 HydrophobicContact CB-CB 4.47Å; W19-P68 HydrophobicContact CB-CG 4.23Å; W19-P68 HydrophobicContact CD2-CG 3.75Å; W19-P68 HydrophobicContact CE3-CG 4.1Å; W19-P68 HydrophobicContact CG-CB 4.26Å; W19-P68 HydrophobicContact CG-CG 3.8Å; W19-L76 HydrophobicContact CH2-CD2 3.76Å; W19-L76 HydrophobicContact CZ2-CD2 3.98Å; W19-N88 HydrophobicContact CH2-CB 4.08Å; W19-C90 HydrophobicContact CE3-CB 4.46Å; W19-C90 HydrophobicContact CH2-CB 4.07Å; W19-C90 HydrophobicContact CZ3-CB 3.85Å
20K94.5Very high91.4Very high86 Ų8657.8 Ų57.837%0.37428%0.278SS..EExtended strand (participates in β ladder)trans-129138.1175.2-68.8-173.8174.2-173.20109.3W10 R11 T13W10-K20 CarbonylContact C-O 3.53Å; W10-K20 WeakPolarHBondContact CA-O 3.46Å; R11-K20 PolarHBondContact N-O 3.19Å; R11-K20 PolarHBondContact O-N 2.93Å; T13-K20 HydrophobicContact CG2-CD 3.84Å; T13-K20 HydrophobicContact CG2-CG 4.22Å
21L95.1Very high91.2Very high75 Ų7554.4 Ų54.439%0.39327%0.265SS..EExtended strand (participates in β ladder)trans-78.7124.3173.1-170.464.6000108.9W8 W10W8-L21 HydrophobicContact CB-CD1 4.16Å; W8-L21 HydrophobicContact CD2-CD2 4.5Å; W8-L21 HydrophobicContact CD2-CG 4.44Å; W8-L21 HydrophobicContact CE3-CD1 4.25Å; W8-L21 HydrophobicContact CE3-CD2 4.06Å; W8-L21 HydrophobicContact CE3-CG 3.68Å; W8-L21 HydrophobicContact CZ3-CD2 4.43Å; W8-L21 HydrophobicContact CZ3-CG 4.17Å; W10-L21 HydrophobicContact CD2-CB 4.22Å; W10-L21 HydrophobicContact CD2-CD1 3.92Å; W10-L21 HydrophobicContact CE3-CB 3.93Å; W10-L21 HydrophobicContact CE3-CD1 4.49Å; W10-L21 HydrophobicContact CG-CD1 4.15Å; W10-L21 HydrophobicContact CH2-CB 3.97Å; W10-L21 HydrophobicContact CZ2-CB 4.25Å; W10-L21 HydrophobicContact CZ2-CD1 4.17Å; W10-L21 HydrophobicContact CZ2-CD2 4.5Å; W10-L21 HydrophobicContact CZ3-CB 3.81Å
22N96.2Very high91.1Very high2 Ų253.6 Ų53.61%0.01126%0.262CS..EExtended strand (participates in β ladder)trans-129.5147-179.5-74.5122.6000110.4W8 L9 R11 F34 Y35 E44W8-N22 VanDerWaalsContact CE3-C 3.45Å; L9-N22 PolarHBondContact N-O 2.99Å; L9-N22 PolarHBondContact O-N 2.76Å; R11-N22 PolarHBondContact NE-OD1 3.13Å; N22-F34 HydrophobicContact CB-CB 4.35Å; N22-F34 HydrophobicContact CB-CD1 4.21Å; N22-Y35 WeakPolarHBondContact CA-O 3.22Å; N22-Y35 WeakPolarHBondContact CB-O 3.46Å; N22-Y35 PolarHBondContact ND2-O 3.23Å; N22-E44 VanDerWaalsContact ND2-CD 3.29Å; N22-E44 PolarHBondContact ND2-OE2 2.88Å; N22-E44 PolarHBondContact OD1-OE2 2.93Å
23W96.4Very high91.1Very high39 Ų3952.4 Ų52.415%0.14826%0.257CS..EExtended strand (participates in β ladder)trans-78.5123.5165.9-177.1-93.7000108.7W8 D25 F34 Y35 D38W8-W23 AromaticContact CD1-CE3 3.79Å; W8-W23 AromaticContact CD1-CZ3 3.62Å; W8-W23 AromaticContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CZ3 4.4Å; W8-W23 AromaticContact CE2-CE3 3.55Å; W8-W23 HydrophobicContact CE3-CB 4.31Å; W8-W23 HydrophobicContact CE3-CE3 4.44Å; W8-W23 AromaticContact CG-CE3 3.95Å; W8-W23 HydrophobicContact CG-CE3 3.95Å; W8-W23 HydrophobicContact CG-CZ3 4.19Å; W8-W23 HydrophobicContact CH2-CB 4.42Å; W8-W23 HydrophobicContact CZ2-CE3 4.08Å; W8-W23 HydrophobicContact CZ3-CB 4.17Å; W8-W23 AromaticContact NE1-CE3 3.53Å; W8-W23 AromaticContact NE1-CZ3 3.48Å; W23-D25 PolarHBondContact NE1-OD1 2.99Å; W23-F34 WeakPolarHBondContact O-CA 3.34Å; W23-Y35 PolarHBondContact N-O 2.98Å; W23-Y35 PolarHBondContact O-N 2.94Å; W23-D38 HydrophobicContact CD2-CB 3.84Å; W23-D38 HydrophobicContact CE3-CB 3.79Å; W23-D38 HydrophobicContact CG-CB 4.24Å; W23-D38 HydrophobicContact CZ3-CB 4.22Å
24C96.7Very high91.4Very high0 Ų051.5 Ų51.50%025%0.252CS..EExtended strand (participates in β ladder)trans-109.8129.9-176.7-169.30000110.1S6 G7 L9 L32 C33 F34 W100S6-C24 CarbonylContact C-O 3.45Å; S6-C24 WeakPolarHBondContact CA-O 3.36Å; G7-C24 PolarHBondContact N-O 3.31Å; G7-C24 WeakPolarHBondContact O-CB 3.25Å; G7-C24 PolarHBondContact O-N 3.09Å; L9-C24 HydrophobicContact CB-CB 4.37Å; L9-C24 HydrophobicContact CD1-CB 3.99Å; L9-C24 HydrophobicContact CG-CB 4.33Å; C24-L32 WeakPolarHBondContact SG-CD1 3.24Å; C24-C33 WeakPolarHBondContact CA-O 3.31Å; C24-F34 HydrophobicContact CB-CD1 4.11Å; C24-F34 HydrophobicContact CB-CE1 4.05Å; C24-F34 WeakPolarHBondContact SG-CE1 3.48Å; C24-W100 HydrophobicContact CB-CH2 4.13Å; C24-W100 HydrophobicContact CB-CZ2 4.45Å
25D95.2Very high91.9Very high0 Ų049 Ų490%023%0.225CC..EExtended strand (participates in β ladder)trans-120.3126.8170.7-71.2-36.6000109.1L3 S6 W23 W27 C33 Y35 R40L3-D25 HydrophobicContact CD1-CB 3.69Å; S6-D25 WeakPolarHBondContact CB-OD1 3.35Å; W23-D25 PolarHBondContact NE1-OD1 2.99Å; D25-W27 HydrophobicContact CB-CZ2 4.4Å; D25-C33 PolarHBondContact N-O 3.34Å; D25-C33 PolarHBondContact O-N 3.4Å; D25-Y35 HydrophobicContact CB-CE2 4.13Å; D25-Y35 WeakPolarHBondContact OD2-CE2 3.27Å; D25-R40 IonicContact OD1-CZ 3.87Å; D25-R40 IonicContact OD1-NE 3.59Å; D25-R40 IonicContact OD1-NH2 3.24Å; D25-R40 PolarHBondContact OD1-NH2 2.68Å; D25-R40 WeakPolarHBondContact OD2-CD 3.26Å; D25-R40 IonicContact OD2-CZ 3.67Å; D25-R40 IonicContact OD2-NE 2.76Å; D25-R40 PolarHBondContact OD2-NE 2.77Å; D25-R40 IonicContact OD2-NH2 3.77Å
26L93.9Very high92.4Very high0 Ų046.7 Ų46.70%021%0.209CC..EExtended strand (participates in β ladder)trans-104.3122.9171.6175.959.6000109.5L4 K5 L32 L49 W100 T103 L104 T107L4-L26 HydrophobicContact CB-CG 4.33Å; L4-L26 HydrophobicContact CD1-CG 4.39Å; L4-L26 PolarHBondContact N-O 3.39Å; K5-L26 HydrophobicContact CB-CB 4.44Å; K5-L26 PolarHBondContact N-O 3.03Å; K5-L26 PolarHBondContact O-N 3.2Å; L26-L32 HydrophobicContact CB-CD1 3.96Å; L26-L32 HydrophobicContact CD1-CD1 4.07Å; L26-L49 HydrophobicContact CD1-CD1 3.56Å; L26-W100 HydrophobicContact CB-CZ3 4.11Å; L26-T103 HydrophobicContact CD2-CG2 3.59Å; L26-L104 HydrophobicContact CD1-CD2 4.42Å; L26-L104 HydrophobicContact CD2-CD2 4.11Å; L26-T107 HydrophobicContact CD1-CG2 4.13Å
27W88.9Confident92.7Very high47 Ų4741.6 Ų41.618%0.17819%0.185CC..EExtended strand (participates in β ladder)trans-103.9154-176.9-61.793000111.7M1 L3 D25 D29 G30 S31M1-W27 HydrophobicContact CB-CE3 3.76Å; M1-W27 HydrophobicContact CB-CZ3 4.05Å; M1-W27 HydrophobicContact CE-CB 4.22Å; M1-W27 HydrophobicContact CE-CD2 4.35Å; M1-W27 HydrophobicContact CE-CG 4.2Å; M1-W27 WeakPolarHBondContact O-CZ3 3.24Å; L3-W27 HydrophobicContact CB-CE3 4.35Å; L3-W27 HydrophobicContact CB-CZ3 4.16Å; L3-W27 HydrophobicContact CD1-CD2 4.31Å; L3-W27 HydrophobicContact CD1-CE3 4.37Å; L3-W27 HydrophobicContact CD1-CH2 4.4Å; L3-W27 HydrophobicContact CD1-CZ2 4.32Å; L3-W27 HydrophobicContact CD1-CZ3 4.41Å; D25-W27 HydrophobicContact CB-CZ2 4.4Å; W27-D29 WeakPolarHBondContact CB-OD1 3.32Å; W27-D29 PolarHBondContact O-N 3.32Å; W27-G30 WeakPolarHBondContact O-CA 3.36Å; W27-G30 PolarHBondContact O-N 3.38Å; W27-S31 PolarHBondContact N-O 3.03Å
28I84.1Confident92.7Very high49 Ų4940.6 Ų40.625%0.25119%0.186SC..THydrogen-bonded Turntrans-60.9-23.6-179.2-163.6165.6000114.7A2 L4 G30 K50 F113A2-I28 HydrophobicContact CB-CB 4.26Å; A2-I28 HydrophobicContact CB-CD1 4.2Å; A2-I28 HydrophobicContact CB-CG2 3.99Å; A2-I28 PolarHBondContact O-N 3.1Å; L4-I28 HydrophobicContact CD1-CB 4.47Å; L4-I28 HydrophobicContact CD2-CG1 4.49Å; L4-I28 HydrophobicContact CG-CB 4.25Å; I28-G30 PolarHBondContact O-N 2.92Å; I28-K50 PolarHBondContact O-NZ 2.86Å; I28-F113 HydrophobicContact CD1-CB 3.74Å; I28-F113 HydrophobicContact CG1-CB 4.09Å
29D81.6Confident92.6Very high57 Ų5735 Ų3531%0.30517%0.174SC..THydrogen-bonded Turntrans-74.3-6.8174.170.9-25.6000112.4M1 W27 S31 R46 K50M1-D29 VanDerWaalsContact CE-OD2 3.24Å; M1-D29 WeakPolarHBondContact CE-OD2 3.36Å; W27-D29 WeakPolarHBondContact CB-OD1 3.32Å; W27-D29 PolarHBondContact O-N 3.32Å; D29-S31 VanDerWaalsContact CG-OG 3.24Å; D29-S31 WeakPolarHBondContact OD1-CB 3.34Å; D29-S31 PolarHBondContact OD1-N 3.21Å; D29-S31 PolarHBondContact OD1-OG 2.84Å; D29-S31 PolarHBondContact OD2-OG 3.44Å; D29-R46 IonicContact OD2-NH2 3.76Å; D29-R46 PolarHBondContact OD2-NH2 2.8Å; D29-K50 WeakPolarHBondContact O-CD 3.33Å
30G88.4Confident92.3Very high0 Ų038.4 Ų38.40%019%0.187CC..SBendtrans86.311.9-174.600000114.3W27 I28 L49W27-G30 WeakPolarHBondContact O-CA 3.36Å; W27-G30 PolarHBondContact O-N 3.38Å; I28-G30 PolarHBondContact O-N 2.92Å; G30-L49 WeakPolarHBondContact O-CB 3.34Å; G30-L49 PolarHBondContact O-N 2.85Å
31S91.2Very high92Very high4 Ų444.8 Ų44.83%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-76.8121.7170.9-64.50000110.4W27 D29 R46W27-S31 PolarHBondContact N-O 3.03Å; D29-S31 VanDerWaalsContact CG-OG 3.24Å; D29-S31 WeakPolarHBondContact OD1-CB 3.34Å; D29-S31 PolarHBondContact OD1-N 3.21Å; D29-S31 PolarHBondContact OD1-OG 2.84Å; D29-S31 PolarHBondContact OD2-OG 3.44Å; S31-R46 PolarHBondContact OG-NE 2.88Å; S31-R46 VanDerWaalsContact OG-NE 3.15Å; S31-R46 PolarHBondContact OG-NH2 2.88Å
32L94.8Very high91.9Very high1 Ų146.2 Ų46.21%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-101.7110.5168.7-17168.1000108.5C24 L26 F34 R46 V47 L49 I79 L87 W100 L104C24-L32 WeakPolarHBondContact SG-CD1 3.24Å; L26-L32 HydrophobicContact CB-CD1 3.96Å; L26-L32 HydrophobicContact CD1-CD1 4.07Å; L32-F34 HydrophobicContact CD2-CE2 3.89Å; L32-F34 HydrophobicContact CD2-CZ 3.64Å; L32-F34 HydrophobicContact CG-CE2 3.9Å; L32-F34 HydrophobicContact CG-CZ 3.86Å; L32-R46 WeakPolarHBondContact O-CA 3.12Å; L32-V47 PolarHBondContact N-O 2.94Å; L32-V47 PolarHBondContact O-N 2.76Å; L32-L49 HydrophobicContact CB-CD1 4.07Å; L32-L49 HydrophobicContact CB-CD2 4.39Å; L32-L49 HydrophobicContact CB-CG 4.11Å; L32-L49 HydrophobicContact CD2-CD2 4.27Å; L32-I79 HydrophobicContact CD2-CD1 3.64Å; L32-L87 HydrophobicContact CD2-CD2 4.12Å; L32-W100 HydrophobicContact CD1-CZ3 4.41Å; L32-L104 HydrophobicContact CD1-CD2 4.11Å; L32-L104 HydrophobicContact CD2-CD2 4.09Å
33C94.9Very high91.7Very high5 Ų550.6 Ų50.63%0.03424%0.236CC..EExtended strand (participates in β ladder)trans-108.6136.5-175.6-65.80000110.6C24 D25 Y35 L43C24-C33 WeakPolarHBondContact CA-O 3.31Å; D25-C33 PolarHBondContact N-O 3.34Å; D25-C33 PolarHBondContact O-N 3.4Å; C33-Y35 HydrophobicContact CB-CD2 4.45Å; C33-Y35 HydrophobicContact CB-CE2 3.58Å; C33-L43 HydrophobicContact CB-CD1 3.92Å
34F96.1Very high91.6Very high0 Ų052.4 Ų52.40%025%0.246CC..EExtended strand (participates in β ladder)trans-116.1125.4175.6-62.5-82.7000109.7N22 W23 C24 L32 E44 Q45 L87 L89N22-F34 HydrophobicContact CB-CB 4.35Å; N22-F34 HydrophobicContact CB-CD1 4.21Å; W23-F34 WeakPolarHBondContact O-CA 3.34Å; C24-F34 HydrophobicContact CB-CD1 4.11Å; C24-F34 HydrophobicContact CB-CE1 4.05Å; C24-F34 WeakPolarHBondContact SG-CE1 3.48Å; L32-F34 HydrophobicContact CD2-CE2 3.89Å; L32-F34 HydrophobicContact CD2-CZ 3.64Å; L32-F34 HydrophobicContact CG-CE2 3.9Å; L32-F34 HydrophobicContact CG-CZ 3.86Å; F34-E44 PolarHBondContact O-N 2.87Å; F34-Q45 HydrophobicContact CB-CB 4.37Å; F34-Q45 HydrophobicContact CD2-CB 4.13Å; F34-Q45 PolarHBondContact N-O 3Å; F34-Q45 PolarHBondContact O-N 2.87Å; F34-L87 HydrophobicContact CE2-CD2 3.7Å; F34-L87 HydrophobicContact CZ-CD2 3.78Å; F34-L89 HydrophobicContact CE1-CD1 4.49Å; F34-L89 HydrophobicContact CE1-CD2 3.71Å; F34-L89 HydrophobicContact CZ-CD1 4.17Å; F34-L89 HydrophobicContact CZ-CD2 3.74Å
35Y95.3Very high91.3Very high29 Ų2955.6 Ų55.611%0.11426%0.261CS..EExtended strand (participates in β ladder)trans-114.5156.8177.7-56.1-90.1000110.2N22 W23 D25 C33 S37 R40 E42 L43N22-Y35 WeakPolarHBondContact CA-O 3.22Å; N22-Y35 WeakPolarHBondContact CB-O 3.46Å; N22-Y35 PolarHBondContact ND2-O 3.23Å; W23-Y35 PolarHBondContact N-O 2.98Å; W23-Y35 PolarHBondContact O-N 2.94Å; D25-Y35 HydrophobicContact CB-CE2 4.13Å; D25-Y35 WeakPolarHBondContact OD2-CE2 3.27Å; C33-Y35 HydrophobicContact CB-CD2 4.45Å; C33-Y35 HydrophobicContact CB-CE2 3.58Å; Y35-S37 VanDerWaalsContact C-N 3.3Å; Y35-S37 WeakPolarHBondContact CB-O 3.46Å; Y35-R40 HydrophobicContact CD1-CB 4.17Å; Y35-R40 HydrophobicContact CD2-CG 4.36Å; Y35-R40 HydrophobicContact CE1-CB 4.12Å; Y35-R40 WeakPolarHBondContact CE1-O 3.2Å; Y35-R40 HydrophobicContact CE2-CG 4.37Å; Y35-R40 HydrophobicContact CG-CB 4.43Å; Y35-E42 VanDerWaalsContact CA-O 3.23Å; Y35-E42 WeakPolarHBondContact CA-O 3.32Å; Y35-L43 HydrophobicContact CD1-CB 4.14Å; Y35-L43 HydrophobicContact CD1-CD1 4.05Å; Y35-L43 HydrophobicContact CE1-CB 4.05Å; Y35-L43 HydrophobicContact CE1-CD1 3.67Å; Y35-L43 HydrophobicContact CE1-CG 4.47Å; Y35-L43 HydrophobicContact CE2-CD1 4.44Å
36K93.5Very high91.2Very high111 Ų11162.3 Ų62.348%0.48329%0.286SS..SBendtrans-67.1-33.1173.8-171.6-176.9-179.5-171.80112.4E42 E44K36-E42 HydrophobicContact CB-CB 4.01Å; K36-E42 HydrophobicContact CD-CB 4.43Å; K36-E42 WeakPolarHBondContact CD-OE2 3.48Å; K36-E42 WeakPolarHBondContact CE-OE2 3.42Å; K36-E42 PolarHBondContact N-O 3.2Å; K36-E42 IonicContact NZ-OE1 2.77Å; K36-E42 PolarHBondContact NZ-OE1 2.79Å; K36-E42 IonicContact NZ-OE2 2.68Å; K36-E42 PolarHBondContact NZ-OE2 3.48Å; K36-E44 HydrophobicContact CB-CG 4.5Å
37S93.8Very high91.2Very high36 Ų3663.2 Ų63.225%0.25229%0.291SS..SBendtrans-146.2167.5176.765.60000112.2Y35 S39 R40Y35-S37 VanDerWaalsContact C-N 3.3Å; Y35-S37 WeakPolarHBondContact CB-O 3.46Å; S37-S39 PolarHBondContact O-N 2.79Å; S37-S39 VanDerWaalsContact O-N 3.15Å; S37-S39 PolarHBondContact OG-OG 3.48Å; S37-R40 PolarHBondContact O-N 2.85Å; S37-R40 VanDerWaalsContact O-N 3.14Å
38D89.9Confident91.2Very high98 Ų9863.2 Ų63.252%0.52430%0.299SS..THydrogen-bonded Turntrans-60-15.4174.167.9-32.7000114W8 W23 R40W8-D38 HydrophobicContact CZ2-CB 4.22Å; W23-D38 HydrophobicContact CD2-CB 3.84Å; W23-D38 HydrophobicContact CE3-CB 3.79Å; W23-D38 HydrophobicContact CG-CB 4.24Å; W23-D38 HydrophobicContact CZ3-CB 4.22Å; D38-R40 PolarHBondContact O-N 2.94Å
39S89.3Confident91.5Very high58 Ų5860.9 Ų60.941%0.40629%0.287SS..THydrogen-bonded Turntrans-63-15.3171.174.50000114S37 R41S37-S39 PolarHBondContact O-N 2.79Å; S37-S39 VanDerWaalsContact O-N 3.15Å; S37-S39 PolarHBondContact OG-OG 3.48Å; S39-R41 WeakPolarHBondContact O-CG 3.41Å; S39-R41 PolarHBondContact O-N 3.41Å
40R89.1Confident91.7Very high110 Ų11061.2 Ų61.242%0.41529%0.286SS..  trans56.717.6-179.1-59.5170.8174.4137.41115.2D25 Y35 S37 D38D25-R40 IonicContact OD1-CZ 3.87Å; D25-R40 IonicContact OD1-NE 3.59Å; D25-R40 IonicContact OD1-NH2 3.24Å; D25-R40 PolarHBondContact OD1-NH2 2.68Å; D25-R40 WeakPolarHBondContact OD2-CD 3.26Å; D25-R40 IonicContact OD2-CZ 3.67Å; D25-R40 IonicContact OD2-NE 2.76Å; D25-R40 PolarHBondContact OD2-NE 2.77Å; D25-R40 IonicContact OD2-NH2 3.77Å; Y35-R40 HydrophobicContact CD1-CB 4.17Å; Y35-R40 HydrophobicContact CD2-CG 4.36Å; Y35-R40 HydrophobicContact CE1-CB 4.12Å; Y35-R40 WeakPolarHBondContact CE1-O 3.2Å; Y35-R40 HydrophobicContact CE2-CG 4.37Å; Y35-R40 HydrophobicContact CG-CB 4.43Å; S37-R40 PolarHBondContact O-N 2.85Å; S37-R40 VanDerWaalsContact O-N 3.14Å; D38-R40 PolarHBondContact O-N 2.94Å
41R88.6Confident91.4Very high219 Ų21965.5 Ų65.583%0.82631%0.312SS*.  trans-81-39.1-177-64.5-175.3179.2-167.5-0.4113.4S39S39-R41 WeakPolarHBondContact O-CG 3.41Å; S39-R41 PolarHBondContact O-N 3.41Å
42E91.2Very high91.2Very high106 Ų10666.4 Ų66.450%0.49532%0.318SS..SBendtrans-10998.1-175.5-68.7179.3-137.300109.7Y35 K36Y35-E42 VanDerWaalsContact CA-O 3.23Å; Y35-E42 WeakPolarHBondContact CA-O 3.32Å; K36-E42 HydrophobicContact CB-CB 4.01Å; K36-E42 HydrophobicContact CD-CB 4.43Å; K36-E42 WeakPolarHBondContact CD-OE2 3.48Å; K36-E42 WeakPolarHBondContact CE-OE2 3.42Å; K36-E42 PolarHBondContact N-O 3.2Å; K36-E42 IonicContact NZ-OE1 2.77Å; K36-E42 PolarHBondContact NZ-OE1 2.79Å; K36-E42 IonicContact NZ-OE2 2.68Å; K36-E42 PolarHBondContact NZ-OE2 3.48Å
43L93.8Very high91.1Very high94 Ų9466.9 Ų66.949%0.49232%0.321SS..EExtended strand (participates in β ladder)trans-77.5119.7174.4-178.474000109.8C33 Y35 R46C33-L43 HydrophobicContact CB-CD1 3.92Å; Y35-L43 HydrophobicContact CD1-CB 4.14Å; Y35-L43 HydrophobicContact CD1-CD1 4.05Å; Y35-L43 HydrophobicContact CE1-CB 4.05Å; Y35-L43 HydrophobicContact CE1-CD1 3.67Å; Y35-L43 HydrophobicContact CE1-CG 4.47Å; Y35-L43 HydrophobicContact CE2-CD1 4.44Å; L43-R46 HydrophobicContact CD2-CB 4.39Å
44E92.4Very high91Very high76 Ų7670.7 Ų70.736%0.35534%0.341SS..EExtended strand (participates in β ladder)trans-90.2-40176.2-68.8-157.2152.200112.6R11 N22 F34 K36R11-E44 IonicContact CZ-OE2 3.5Å; R11-E44 IonicContact NH2-OE2 3.4Å; R11-E44 PolarHBondContact NH2-OE2 2.83Å; N22-E44 VanDerWaalsContact ND2-CD 3.29Å; N22-E44 PolarHBondContact ND2-OE2 2.88Å; N22-E44 PolarHBondContact OD1-OE2 2.93Å; F34-E44 PolarHBondContact O-N 2.87Å; K36-E44 HydrophobicContact CB-CG 4.5Å
45Q92.4Very high90.8Very high67 Ų6773.9 Ų73.931%0.31336%0.357SS..EExtended strand (participates in β ladder)trans-156.1142.8-176.2-171.6174.60.800110.6F34 V47F34-Q45 HydrophobicContact CB-CB 4.37Å; F34-Q45 HydrophobicContact CD2-CB 4.13Å; F34-Q45 PolarHBondContact N-O 3Å; F34-Q45 PolarHBondContact O-N 2.87Å; Q45-V47 HydrophobicContact CG-CG2 4.12Å
46R92.9Very high90.8Very high142 Ų14272.5 Ų72.554%0.53635%0.352SS..EExtended strand (participates in β ladder)trans-127.9136.1169.3178.7174.7-180-179.31.3109.4D29 S31 L32 L43D29-R46 IonicContact OD2-NH2 3.76Å; D29-R46 PolarHBondContact OD2-NH2 2.8Å; S31-R46 PolarHBondContact OG-NE 2.88Å; S31-R46 VanDerWaalsContact OG-NE 3.15Å; S31-R46 PolarHBondContact OG-NH2 2.88Å; L32-R46 WeakPolarHBondContact O-CA 3.12Å; L43-R46 HydrophobicContact CD2-CB 4.39Å
47V92.1Very high90.9Very high18 Ų1871.4 Ų71.411%0.10935%0.345CS..EExtended strand (participates in β ladder)trans-129.1138.7179.6-176.70000109.3L32 Q45 F81 L87L32-V47 PolarHBondContact N-O 2.94Å; L32-V47 PolarHBondContact O-N 2.76Å; Q45-V47 HydrophobicContact CG-CG2 4.12Å; V47-F81 HydrophobicContact CG1-CD1 4.36Å; V47-F81 HydrophobicContact CG1-CE1 3.38Å; V47-F81 HydrophobicContact CG1-CZ 3.53Å; V47-L87 HydrophobicContact CG2-CD2 4.28Å
48S90.3Very high91Very high47 Ų4770 Ų7033%0.32934%0.335SS..EExtended strand (participates in β ladder)trans-98.1105.6176.9-175.90000110.4T51 S52S48-T51 WeakPolarHBondContact CB-OG1 3.44Å; S48-T51 PolarHBondContact O-OG1 2.96Å; S48-T51 PolarHBondContact OG-OG1 2.63Å; S48-T51 VanDerWaalsContact OG-OG1 3.13Å; S48-S52 WeakPolarHBondContact O-CB 3.35Å; S48-S52 PolarHBondContact O-N 3.07Å; S48-S52 PolarHBondContact O-OG 2.9Å
49L90.4Very high91.1Very high0 Ų065.7 Ų65.70%031%0.314CS..Hα-helixtrans-70.6-41.3-175.5-61.8173.8000112.4L26 G30 L32 T51 S52 C53 I79 F81 L104L26-L49 HydrophobicContact CD1-CD1 3.56Å; G30-L49 WeakPolarHBondContact O-CB 3.34Å; G30-L49 PolarHBondContact O-N 2.85Å; L32-L49 HydrophobicContact CB-CD1 4.07Å; L32-L49 HydrophobicContact CB-CD2 4.39Å; L32-L49 HydrophobicContact CB-CG 4.11Å; L32-L49 HydrophobicContact CD2-CD2 4.27Å; L49-T51 PolarHBondContact O-N 3.4Å; L49-S52 PolarHBondContact O-N 2.84Å; L49-C53 HydrophobicContact CB-CB 4.23Å; L49-C53 HydrophobicContact CD2-CB 4.19Å; L49-C53 WeakPolarHBondContact O-CB 3.49Å; L49-C53 PolarHBondContact O-N 3.05Å; L49-I79 HydrophobicContact CD2-CD1 4.27Å; L49-I79 HydrophobicContact CD2-CG2 4.19Å; L49-F81 HydrophobicContact CD2-CE1 4.5Å; L49-L104 HydrophobicContact CD1-CD2 3.32Å; L49-L104 HydrophobicContact CD2-CD2 4.38Å; L49-L104 HydrophobicContact CG-CD2 4.48Å
50K85.6Confident91.1Very high65 Ų6569.5 Ų69.528%0.28333%0.329SS..Hα-helixtrans-60.2-33.1-175.5-72.8-173.4-176.6-173.20113.7I28 D29 T107 N110 P111I28-K50 PolarHBondContact O-NZ 2.86Å; D29-K50 WeakPolarHBondContact O-CD 3.33Å; K50-T107 WeakPolarHBondContact CE-O 3.34Å; K50-N110 WeakPolarHBondContact CE-O 3.15Å; K50-N110 PolarHBondContact NZ-O 3.44Å; K50-P111 PolarHBondContact NZ-O 3.24Å
51T82.3Confident91.1Very high89 Ų8968.6 Ų68.655%0.54633%0.33SS..Hα-helixtrans-94.7-34.8-176.654.20000112.8S48 L49S48-T51 WeakPolarHBondContact CB-OG1 3.44Å; S48-T51 PolarHBondContact O-OG1 2.96Å; S48-T51 PolarHBondContact OG-OG1 2.63Å; S48-T51 VanDerWaalsContact OG-OG1 3.13Å; L49-T51 PolarHBondContact O-N 3.4Å
52S87.4Confident91Very high24 Ų2458.5 Ų58.517%0.16829%0.293CS..Hα-helixtrans-108.8-27.8-168.671.10000114.7S48 L49 I54 F81 R82S48-S52 WeakPolarHBondContact O-CB 3.35Å; S48-S52 PolarHBondContact O-N 3.07Å; S48-S52 PolarHBondContact O-OG 2.9Å; L49-S52 PolarHBondContact O-N 2.84Å; S52-I54 PolarHBondContact O-N 3.36Å; S52-F81 CarbonylContact O-C 3.52Å; S52-F81 WeakPolarHBondContact O-CA 3.39Å; S52-F81 VanDerWaalsContact OG-CD1 3.23Å; S52-F81 WeakPolarHBondContact OG-CD1 3.26Å; S52-R82 PolarHBondContact O-N 3.14Å
53C91.4Very high90.7Very high10 Ų1056.2 Ų56.27%0.06830%0.298CS..EExtended strand (participates in β ladder)trans-74.5126.6-175.2-178.50000111.3L49 I79 R108L49-C53 HydrophobicContact CB-CB 4.23Å; L49-C53 HydrophobicContact CD2-CB 4.19Å; L49-C53 WeakPolarHBondContact O-CB 3.49Å; L49-C53 PolarHBondContact O-N 3.05Å; C53-I79 HydrophobicContact CB-CG2 4.32Å; C53-R108 HydrophobicContact CB-CG 4.46Å; C53-R108 WeakPolarHBondContact O-CD 3.23Å
54I92.5Very high90.2Very high86 Ų8655.7 Ų55.744%0.44132%0.315SS..EExtended strand (participates in β ladder)trans-101-37.2173.755.9168.8000111.8S52 H80 R82 R108S52-I54 PolarHBondContact O-N 3.36Å; I54-H80 HydrophobicContact CD1-CB 4.05Å; I54-H80 HydrophobicContact CG1-CB 3.68Å; I54-H80 WeakPolarHBondContact CG1-O 3.38Å; I54-H80 PolarHBondContact N-O 3Å; I54-R82 HydrophobicContact CG2-CB 3.9Å; I54-R82 HydrophobicContact CG2-CG 4.47Å; I54-R108 PolarHBondContact O-NH1 3.02Å
55D93.1Very high90Very high66 Ų6652.9 Ų52.935%0.35330%0.303SS..EExtended strand (participates in β ladder)trans-157.2157.3-175.4-16929.4000111.7H80D55-H80 HydrophobicContact CB-CB 4.25Å; D55-H80 PolarHBondContact N-O 3.36Å; D55-H80 PolarHBondContact O-N 3.03Å
56V95.3Very high89.9Confident1 Ų154.7 Ų54.71%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-134.9120.2176.2-172.40000108.9V77 V78 I79 K101 L104 L105V56-V77 HydrophobicContact CG1-CG1 3.81Å; V56-V78 WeakPolarHBondContact CA-O 3.21Å; V56-I79 HydrophobicContact CG1-CG1 4.24Å; V56-I79 HydrophobicContact CG2-CG1 4.32Å; V56-K101 HydrophobicContact CB-CG 4.38Å; V56-K101 HydrophobicContact CG1-CB 4.2Å; V56-K101 HydrophobicContact CG1-CG 4.06Å; V56-K101 WeakPolarHBondContact O-CE 3.12Å; V56-L104 HydrophobicContact CG1-CB 4.38Å; V56-L104 HydrophobicContact CG1-CD1 3.97Å; V56-L104 HydrophobicContact CG2-CB 4Å; V56-L105 HydrophobicContact CB-CD2 3.9Å; V56-L105 HydrophobicContact CB-CG 4.01Å; V56-L105 HydrophobicContact CG2-CD2 3.89Å; V56-L105 HydrophobicContact CG2-CG 4.2Å
57R95.1Very high89.8Confident87 Ų8749.2 Ų49.233%0.32830%0.298SS..EExtended strand (participates in β ladder)trans-109.2147.8179.1-70.1-166.6-82.2179.8-20110.7E61 V77 V78 H80R57-E61 WeakPolarHBondContact CA-OE2 3.44Å; R57-E61 HydrophobicContact CB-CB 3.89Å; R57-E61 WeakPolarHBondContact CD-O 3.49Å; R57-E61 HydrophobicContact CG-CB 4.21Å; R57-E61 PolarHBondContact NH1-O 3.38Å; R57-V77 CarbonylContact O-C 3.56Å; R57-V77 WeakPolarHBondContact O-CA 3.34Å; R57-V78 PolarHBondContact N-O 3.3Å; R57-V78 PolarHBondContact O-N 2.88Å; R57-H80 VanDerWaalsContact CZ-NE2 3.31Å; R57-H80 PolarHBondContact NE-NE2 3.24Å; R57-H80 PolarHBondContact NH2-CE1 2.87Å; R57-H80 PolarHBondContact NH2-NE2 2.9Å
58S95.6Very high89.7Confident7 Ų748.9 Ų48.95%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-132.9154.5176.862.50000112.3L60 E61 L76 K101S58-L60 PolarHBondContact O-N 3.35Å; S58-E61 PolarHBondContact N-OE2 2.95Å; S58-E61 VanDerWaalsContact O-CB 3.26Å; S58-E61 WeakPolarHBondContact O-CB 3.38Å; S58-E61 WeakPolarHBondContact O-CG 3.4Å; S58-E61 PolarHBondContact O-N 3.48Å; S58-L76 CarbonylContact C-O 3.56Å; S58-L76 WeakPolarHBondContact CA-O 3.36Å; S58-K101 WeakPolarHBondContact OG-CD 3.26Å
59G91.9Very high89.3Confident8 Ų856.7 Ų56.78%0.08233%0.327CS..G310 helixtrans55-130.1176.500000113.4E61 C62 R73 E74 L76G59-E61 PolarHBondContact O-N 2.94Å; G59-E61 VanDerWaalsContact O-N 3.13Å; G59-C62 VanDerWaalsContact O-CB 3.24Å; G59-C62 WeakPolarHBondContact O-CB 3.47Å; G59-C62 PolarHBondContact O-N 2.79Å; G59-C62 PolarHBondContact O-SG 3.32Å; G59-C62 VanDerWaalsContact O-SG 3.39Å; G59-R73 CarbonylContact C-O 3.58Å; G59-R73 WeakPolarHBondContact CA-O 3.34Å; G59-E74 VanDerWaalsContact CA-O 3.31Å; G59-E74 WeakPolarHBondContact CA-O 3.41Å; G59-L76 PolarHBondContact N-O 3.28Å
60L88.8Confident89Confident138 Ų13861.7 Ų61.772%0.72336%0.362SS*.G310 helixtrans-65.2-14.3-177.3-60178.6000114.3S58 C62 R73S58-L60 PolarHBondContact O-N 3.35Å; L60-C62 PolarHBondContact O-N 3.35Å; L60-R73 HydrophobicContact CD2-CB 4.37Å
61E90.1Very high89.2Confident90 Ų9059.5 Ų59.542%0.42135%0.354SS..G310 helixtrans-67.7-20.4172.7-56.4171.5172.200112.1R57 S58 G59 G63 K101R57-E61 WeakPolarHBondContact CA-OE2 3.44Å; R57-E61 HydrophobicContact CB-CB 3.89Å; R57-E61 WeakPolarHBondContact CD-O 3.49Å; R57-E61 HydrophobicContact CG-CB 4.21Å; R57-E61 PolarHBondContact NH1-O 3.38Å; S58-E61 PolarHBondContact N-OE2 2.95Å; S58-E61 VanDerWaalsContact O-CB 3.26Å; S58-E61 WeakPolarHBondContact O-CB 3.38Å; S58-E61 WeakPolarHBondContact O-CG 3.4Å; S58-E61 PolarHBondContact O-N 3.48Å; G59-E61 PolarHBondContact O-N 2.94Å; G59-E61 VanDerWaalsContact O-N 3.13Å; E61-G63 VanDerWaalsContact C-N 3.34Å; E61-G63 PolarHBondContact O-N 2.96Å; E61-K101 IonicContact OE1-NZ 2.79Å; E61-K101 PolarHBondContact OE1-NZ 2.57Å; E61-K101 IonicContact OE2-NZ 2.73Å; E61-K101 PolarHBondContact OE2-NZ 2.73Å
62C87.3Confident89.6Confident7 Ų758.2 Ų58.25%0.04735%0.347CS..  trans-79.576.5-177.4-56.10000111.2G59 L60 L76 V78G59-C62 VanDerWaalsContact O-CB 3.24Å; G59-C62 WeakPolarHBondContact O-CB 3.47Å; G59-C62 PolarHBondContact O-N 2.79Å; G59-C62 PolarHBondContact O-SG 3.32Å; G59-C62 VanDerWaalsContact O-SG 3.39Å; L60-C62 PolarHBondContact O-N 3.35Å; C62-L76 HydrophobicContact CB-CB 4.01Å; C62-L76 HydrophobicContact CB-CD1 4.12Å; C62-V78 HydrophobicContact CB-CG2 3.82Å
63G83.3Confident89.8Confident59 Ų5962 Ų6261%0.60836%0.357SS*.THydrogen-bonded Turntrans-65.1135.917600000113.1E61 V65E61-G63 VanDerWaalsContact C-N 3.34Å; E61-G63 PolarHBondContact O-N 2.96Å; G63-V65 VanDerWaalsContact C-N 3.31Å; G63-V65 PolarHBondContact O-N 3.4Å
64G84Confident89.9Confident83 Ų8364.8 Ų64.886%0.85637%0.37SS*.THydrogen-bonded Turntrans774.7169.300000116.5
65V88.5Confident90Very high16 Ų1661 Ų6110%0.09735%0.35CS..  trans-105.1131.6174.5-1790000109.4W19 G63 R73 L76 V78 N88W19-V65 HydrophobicContact CH2-CG1 4.44Å; W19-V65 HydrophobicContact CZ2-CG1 4.02Å; G63-V65 VanDerWaalsContact C-N 3.31Å; G63-V65 PolarHBondContact O-N 3.4Å; V65-R73 PolarHBondContact O-NH1 2.9Å; V65-L76 HydrophobicContact CB-CD1 4.39Å; V65-L76 HydrophobicContact CG1-CD1 4.35Å; V65-L76 HydrophobicContact CG1-CD2 4.14Å; V65-V78 HydrophobicContact CG2-CG2 4.07Å; V65-N88 HydrophobicContact CG1-CB 4.1Å
66N89.6Confident90.2Very high105 Ų10557.9 Ų57.956%0.56133%0.334SS*.PPolyproline II helixtrans-95.4128.1173.7-68.4-35.2000109.6W19 R73W19-N66 VanDerWaalsContact CZ2-O 3.32Å; W19-N66 WeakPolarHBondContact CZ2-O 3.08Å; W19-N66 PolarHBondContact NE1-O 3.36Å; W19-N66 VanDerWaalsContact NE1-O 3.1Å; N66-R73 PolarHBondContact OD1-NH2 2.92Å
67P90.4Very high90.3Very high27 Ų2757.9 Ų57.918%0.17533%0.333CS..PPolyproline II helixtrans-66.6167.9177.830.7-35.1000111.3N71 R73 L76P67-N71 HydrophobicContact CB-CB 4.37Å; P67-N71 WeakPolarHBondContact CB-O 3.23Å; P67-N71 VanDerWaalsContact CG-O 3.22Å; P67-N71 WeakPolarHBondContact CG-O 3.45Å; P67-R73 HydrophobicContact CG-CG 3.95Å; P67-L76 HydrophobicContact CB-CD1 4.35Å; P67-L76 HydrophobicContact CB-CD2 4.08Å; P67-L76 HydrophobicContact CB-CG 4.19Å
68P91.1Very high90.3Very high11 Ų1153.9 Ų53.97%0.07132%0.319CS..PPolyproline II helixtrans-52.7148.8165.8-18.426.9000111.2W10 W19 S70 N71 C90W10-P68 HydrophobicContact CB-CG 4.19Å; W10-P68 HydrophobicContact CD2-CG 4.47Å; W10-P68 HydrophobicContact CG-CG 4.14Å; W19-P68 HydrophobicContact CB-CB 4.47Å; W19-P68 HydrophobicContact CB-CG 4.23Å; W19-P68 HydrophobicContact CD2-CG 3.75Å; W19-P68 HydrophobicContact CE3-CG 4.1Å; W19-P68 HydrophobicContact CG-CB 4.26Å; W19-P68 HydrophobicContact CG-CG 3.8Å; P68-S70 PolarHBondContact O-N 3.4Å; P68-N71 HydrophobicContact CB-CB 4.23Å; P68-N71 HydrophobicContact CG-CB 4.19Å; P68-N71 PolarHBondContact O-N 3.43Å; P68-C90 HydrophobicContact CG-CB 4.07Å
69E81.3Confident90.4Very high211 Ų21153.6 Ų53.699%0.98632%0.316SS*.THydrogen-bonded Turntrans-52.5-28.1-172.3-71.1179.4171.600115
70S84.2Confident90.5Very high105 Ų10554.6 Ų54.673%0.73432%0.319SS*.THydrogen-bonded Turntrans-97-3.6-179.958.70000114.8P68P68-S70 PolarHBondContact O-N 3.4Å
71N89.1Confident90.7Very high20 Ų2048.8 Ų48.811%0.10729%0.288CS..SBendtrans-110.9138.3-169.6-80.2-95.1000112.3P67 P68 N75 A91P67-N71 HydrophobicContact CB-CB 4.37Å; P67-N71 WeakPolarHBondContact CB-O 3.23Å; P67-N71 VanDerWaalsContact CG-O 3.22Å; P67-N71 WeakPolarHBondContact CG-O 3.45Å; P68-N71 HydrophobicContact CB-CB 4.23Å; P68-N71 HydrophobicContact CG-CB 4.19Å; P68-N71 PolarHBondContact O-N 3.43Å; N71-N75 PolarHBondContact OD1-ND2 2.94Å; N71-A91 PolarHBondContact OD1-O 3.45Å
72P91.9Very high90.7Very high62 Ų6253.4 Ų53.440%0.40330%0.301SS..  trans-68.5159.7174.132.2-36.8000111.1E74 N75P72-E74 WeakPolarHBondContact CB-OE2 3.47Å; P72-E74 PolarHBondContact O-N 2.91Å; P72-N75 WeakPolarHBondContact CD-ND2 3.32Å; P72-N75 HydrophobicContact CG-CB 4.34Å; P72-N75 WeakPolarHBondContact CG-OD1 3.3Å; P72-N75 PolarHBondContact O-N 3.19Å
73R91.9Very high90.7Very high102 Ų10261.3 Ų61.339%0.38534%0.338SS..G310 helixtrans-68.7-28.8-179.8-76.4-177.7176.9-80.2-7.1111.5G59 L60 V65 N66 P67 N75 L76G59-R73 CarbonylContact C-O 3.58Å; G59-R73 WeakPolarHBondContact CA-O 3.34Å; L60-R73 HydrophobicContact CD2-CB 4.37Å; V65-R73 PolarHBondContact O-NH1 2.9Å; N66-R73 PolarHBondContact OD1-NH2 2.92Å; P67-R73 HydrophobicContact CG-CG 3.95Å; R73-N75 PolarHBondContact O-N 2.78Å; R73-L76 HydrophobicContact CB-CD1 4.45Å; R73-L76 VanDerWaalsContact O-CB 3.24Å; R73-L76 WeakPolarHBondContact O-CB 3.35Å; R73-L76 WeakPolarHBondContact O-CG 3.08Å; R73-L76 PolarHBondContact O-N 3.47Å
74E93.6Very high90.8Very high70 Ų7061.6 Ų61.633%0.32734%0.341SS..G310 helixtrans-56.6-28.7177.5-65.275.2-168.500111.6G59 P72 L76 E94 S97G59-E74 VanDerWaalsContact CA-O 3.31Å; G59-E74 WeakPolarHBondContact CA-O 3.41Å; P72-E74 WeakPolarHBondContact CB-OE2 3.47Å; P72-E74 PolarHBondContact O-N 2.91Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 2.95Å; E74-E94 HydrophobicContact CB-CB 4.24Å; E74-E94 HydrophobicContact CB-CG 4.19Å; E74-S97 PolarHBondContact O-OG 2.7Å; E74-S97 VanDerWaalsContact O-OG 3.07Å
75N94.9Very high91.2Very high7 Ų760.1 Ų60.14%0.03732%0.318CS..G310 helixtrans-80-8.3178.5-70.29.3000113.9N71 P72 R73 C90 A91 N92 S93 E94N71-N75 PolarHBondContact OD1-ND2 2.94Å; P72-N75 WeakPolarHBondContact CD-ND2 3.32Å; P72-N75 HydrophobicContact CG-CB 4.34Å; P72-N75 WeakPolarHBondContact CG-OD1 3.3Å; P72-N75 PolarHBondContact O-N 3.19Å; R73-N75 PolarHBondContact O-N 2.78Å; N75-C90 VanDerWaalsContact CB-SG 3.52Å; N75-C90 WeakPolarHBondContact O-CA 3.4Å; N75-A91 WeakPolarHBondContact CB-O 3.49Å; N75-A91 PolarHBondContact ND2-O 3.05Å; N75-A91 PolarHBondContact O-N 3.31Å; N75-N92 PolarHBondContact ND2-O 3.44Å; N75-S93 WeakPolarHBondContact OD1-CA 3.36Å; N75-E94 PolarHBondContact OD1-N 2.8Å
76L96.4Very high91.4Very high0 Ų062.2 Ų62.20%033%0.331CS..EExtended strand (participates in β ladder)trans-68.6144.2-177.1-71.9171.3000111.6W19 S58 G59 C62 V65 P67 R73 E74 C90W19-L76 HydrophobicContact CH2-CD2 3.76Å; W19-L76 HydrophobicContact CZ2-CD2 3.98Å; S58-L76 CarbonylContact C-O 3.56Å; S58-L76 WeakPolarHBondContact CA-O 3.36Å; G59-L76 PolarHBondContact N-O 3.28Å; C62-L76 HydrophobicContact CB-CB 4.01Å; C62-L76 HydrophobicContact CB-CD1 4.12Å; V65-L76 HydrophobicContact CB-CD1 4.39Å; V65-L76 HydrophobicContact CG1-CD1 4.35Å; V65-L76 HydrophobicContact CG1-CD2 4.14Å; P67-L76 HydrophobicContact CB-CD1 4.35Å; P67-L76 HydrophobicContact CB-CD2 4.08Å; P67-L76 HydrophobicContact CB-CG 4.19Å; R73-L76 HydrophobicContact CB-CD1 4.45Å; R73-L76 VanDerWaalsContact O-CB 3.24Å; R73-L76 WeakPolarHBondContact O-CB 3.35Å; R73-L76 WeakPolarHBondContact O-CG 3.08Å; R73-L76 PolarHBondContact O-N 3.47Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 2.95Å; L76-C90 HydrophobicContact CD2-CB 4.08Å
77V96.9Very high91.7Very high0 Ų057.6 Ų57.60%031%0.306CS..EExtended strand (participates in β ladder)trans-134.5122.2167.5-176.90000107.8V56 R57 L89 S97 W100 L104V56-V77 HydrophobicContact CG1-CG1 3.81Å; R57-V77 CarbonylContact O-C 3.56Å; R57-V77 WeakPolarHBondContact O-CA 3.34Å; V77-L89 HydrophobicContact CB-CB 4.26Å; V77-L89 PolarHBondContact N-O 3.07Å; V77-L89 CarbonylContact O-C 3.42Å; V77-L89 WeakPolarHBondContact O-CA 3.43Å; V77-L89 WeakPolarHBondContact O-CB 3.37Å; V77-L89 PolarHBondContact O-N 2.92Å; V77-L89 VanDerWaalsContact O-O 3.11Å; V77-S97 WeakPolarHBondContact CG2-O 3.48Å; V77-W100 HydrophobicContact CG2-CB 4.41Å; V77-L104 HydrophobicContact CG1-CD1 4.14Å
78V96.5Very high91.9Very high4 Ų456.8 Ų56.82%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-118.6120.5-179.5178.60000109.4V56 R57 C62 V65 T86 N88V56-V78 WeakPolarHBondContact CA-O 3.21Å; R57-V78 PolarHBondContact N-O 3.3Å; R57-V78 PolarHBondContact O-N 2.88Å; C62-V78 HydrophobicContact CB-CG2 3.82Å; V65-V78 HydrophobicContact CG2-CG2 4.07Å; V78-T86 HydrophobicContact CG1-CG2 4.36Å; V78-N88 WeakPolarHBondContact CG1-OD1 3.35Å
79I95.8Very high92.2Very high0 Ų056.3 Ų56.30%030%0.297CS..EExtended strand (participates in β ladder)trans-94.7125.7173.8-58.1162000108L32 L49 C53 V56 F81 T86 L87 L89 L104L32-I79 HydrophobicContact CD2-CD1 3.64Å; L49-I79 HydrophobicContact CD2-CD1 4.27Å; L49-I79 HydrophobicContact CD2-CG2 4.19Å; C53-I79 HydrophobicContact CB-CG2 4.32Å; V56-I79 HydrophobicContact CG1-CG1 4.24Å; V56-I79 HydrophobicContact CG2-CG1 4.32Å; I79-F81 HydrophobicContact CB-CZ 4.18Å; I79-F81 HydrophobicContact CG2-CD1 4.23Å; I79-F81 HydrophobicContact CG2-CE1 3.56Å; I79-F81 HydrophobicContact CG2-CE2 4.4Å; I79-F81 HydrophobicContact CG2-CZ 3.64Å; I79-T86 CarbonylContact O-C 3.48Å; I79-T86 VanDerWaalsContact O-CA 3.27Å; I79-T86 WeakPolarHBondContact O-CA 3.43Å; I79-L87 HydrophobicContact CB-CB 4.28Å; I79-L87 HydrophobicContact CD1-CD2 3.92Å; I79-L87 HydrophobicContact CD1-CG 4.46Å; I79-L87 PolarHBondContact N-O 3.39Å; I79-L87 PolarHBondContact O-N 3.43Å; I79-L89 HydrophobicContact CD1-CD1 3.85Å; I79-L104 HydrophobicContact CD1-CD1 3.84Å; I79-L104 HydrophobicContact CD1-CD2 4.23Å; I79-L104 HydrophobicContact CG1-CD1 4.01Å
80H94.6Very high92.9Very high30 Ų3046.3 Ų46.314%0.13925%0.25CC..EExtended strand (participates in β ladder)trans-97.3131.3174.8-68.5-80.6000109.9I54 D55 R57 T86I54-H80 HydrophobicContact CD1-CB 4.05Å; I54-H80 HydrophobicContact CG1-CB 3.68Å; I54-H80 WeakPolarHBondContact CG1-O 3.38Å; I54-H80 PolarHBondContact N-O 3Å; D55-H80 HydrophobicContact CB-CB 4.25Å; D55-H80 PolarHBondContact N-O 3.36Å; D55-H80 PolarHBondContact O-N 3.03Å; R57-H80 VanDerWaalsContact CZ-NE2 3.31Å; R57-H80 PolarHBondContact NE-NE2 3.24Å; R57-H80 PolarHBondContact NH2-CE1 2.87Å; R57-H80 PolarHBondContact NH2-NE2 2.9Å; H80-T86 WeakPolarHBondContact ND1-CG2 3.42Å
81F93.7Very high93.4Very high15 Ų1541.3 Ų41.37%0.06622%0.215CC..EExtended strand (participates in β ladder)trans-103.6158.1175.8-56.2-68.3000112.2V47 L49 S52 I79 E83 G84 S85 L87V47-F81 HydrophobicContact CG1-CD1 4.36Å; V47-F81 HydrophobicContact CG1-CE1 3.38Å; V47-F81 HydrophobicContact CG1-CZ 3.53Å; L49-F81 HydrophobicContact CD2-CE1 4.5Å; S52-F81 CarbonylContact O-C 3.52Å; S52-F81 WeakPolarHBondContact O-CA 3.39Å; S52-F81 VanDerWaalsContact OG-CD1 3.23Å; S52-F81 WeakPolarHBondContact OG-CD1 3.26Å; I79-F81 HydrophobicContact CB-CZ 4.18Å; I79-F81 HydrophobicContact CG2-CD1 4.23Å; I79-F81 HydrophobicContact CG2-CE1 3.56Å; I79-F81 HydrophobicContact CG2-CE2 4.4Å; I79-F81 HydrophobicContact CG2-CZ 3.64Å; F81-E83 PolarHBondContact O-N 3.03Å; F81-G84 PolarHBondContact O-N 3.43Å; F81-S85 WeakPolarHBondContact CD2-O 3.46Å; F81-S85 WeakPolarHBondContact CD2-OG 3.41Å; F81-S85 PolarHBondContact N-O 2.95Å; F81-L87 HydrophobicContact CE2-CB 3.46Å; F81-L87 VanDerWaalsContact CE2-CB 3.46Å; F81-L87 HydrophobicContact CZ-CB 3.69Å; F81-L87 HydrophobicContact CZ-CD2 4.16Å
82R89.9Confident93.6Very high187 Ų18746.1 Ų46.171%0.70624%0.241SC*.THydrogen-bonded Turntrans-57.5-30.5178-173.1178.3-66.5171.81.3113S52 I54 G84S52-R82 PolarHBondContact O-N 3.14Å; I54-R82 HydrophobicContact CG2-CB 3.9Å; I54-R82 HydrophobicContact CG2-CG 4.47Å; R82-G84 PolarHBondContact O-N 3.21Å
83E87.1Confident93.7Very high173 Ų17345 Ų4581%0.80824%0.235SC*.THydrogen-bonded Turntrans-73.4-1.5178.1-62174.8-177.400113.1F81 S85F81-E83 PolarHBondContact O-N 3.03Å; E83-S85 PolarHBondContact O-N 3.13Å
84G86.1Confident93.8Very high66 Ų6645.2 Ų45.268%0.6824%0.24SC*.SBendtrans81.3-4-175.200000113.8F81 R82F81-G84 PolarHBondContact O-N 3.43Å; R82-G84 PolarHBondContact O-N 3.21Å
85S90.9Very high93.9Very high52 Ų5247.8 Ų47.836%0.36426%0.256SS..  trans-74155.4172.461.30000111.4F81 E83F81-S85 WeakPolarHBondContact CD2-O 3.46Å; F81-S85 WeakPolarHBondContact CD2-OG 3.41Å; F81-S85 PolarHBondContact N-O 2.95Å; E83-S85 PolarHBondContact O-N 3.13Å
86T93.8Very high94Very high60 Ų6051.1 Ų51.137%0.36827%0.272SS..EExtended strand (participates in β ladder)trans-125.5144.8175.971.70000111.2V78 I79 H80 N88V78-T86 HydrophobicContact CG1-CG2 4.36Å; I79-T86 CarbonylContact O-C 3.48Å; I79-T86 VanDerWaalsContact O-CA 3.27Å; I79-T86 WeakPolarHBondContact O-CA 3.43Å; H80-T86 WeakPolarHBondContact ND1-CG2 3.42Å; T86-N88 PolarHBondContact OG1-OD1 2.87Å
87L95.1Very high93.9Very high8 Ų851.2 Ų51.24%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-108.6109.8168170.765.1000108R11 L32 F34 V47 I79 F81 L89R11-L87 HydrophobicContact CG-CD1 3.93Å; L32-L87 HydrophobicContact CD2-CD2 4.12Å; F34-L87 HydrophobicContact CE2-CD2 3.7Å; F34-L87 HydrophobicContact CZ-CD2 3.78Å; V47-L87 HydrophobicContact CG2-CD2 4.28Å; I79-L87 HydrophobicContact CB-CB 4.28Å; I79-L87 HydrophobicContact CD1-CD2 3.92Å; I79-L87 HydrophobicContact CD1-CG 4.46Å; I79-L87 PolarHBondContact N-O 3.39Å; I79-L87 PolarHBondContact O-N 3.43Å; F81-L87 HydrophobicContact CE2-CB 3.46Å; F81-L87 VanDerWaalsContact CE2-CB 3.46Å; F81-L87 HydrophobicContact CZ-CB 3.69Å; F81-L87 HydrophobicContact CZ-CD2 4.16Å; L87-L89 HydrophobicContact CD1-CD2 4.03Å; L87-L89 HydrophobicContact CD2-CD2 4.45Å; L87-L89 HydrophobicContact CG-CD1 4.47Å; L87-L89 HydrophobicContact CG-CD2 3.99Å; L87-L89 HydrophobicContact CG-CG 4.14Å
88N95.8Very high93.8Very high10 Ų1054.4 Ų54.45%0.05329%0.289CS..EExtended strand (participates in β ladder)trans-93.5123.5-177.5-55.1-18.3000109.2Q12 W19 V65 V78 T86Q12-N88 HydrophobicContact CB-CB 3.91Å; Q12-N88 PolarHBondContact N-O 2.82Å; Q12-N88 PolarHBondContact OE1-ND2 2.82Å; W19-N88 HydrophobicContact CH2-CB 4.08Å; V65-N88 HydrophobicContact CG1-CB 4.1Å; V78-N88 WeakPolarHBondContact CG1-OD1 3.35Å; T86-N88 PolarHBondContact OG1-OD1 2.87Å
89L96.4Very high93.8Very high1 Ų155.9 Ų55.91%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-124.1159.2-179.5-53.1173.7000109.8L9 W10 R11 F34 V77 I79 L87L9-L89 HydrophobicContact CD1-CD1 4.16Å; W10-L89 CarbonylContact O-C 3.53Å; W10-L89 WeakPolarHBondContact O-CA 3.36Å; R11-L89 HydrophobicContact CB-CD2 3.93Å; R11-L89 HydrophobicContact CG-CD2 3.88Å; F34-L89 HydrophobicContact CE1-CD1 4.49Å; F34-L89 HydrophobicContact CE1-CD2 3.71Å; F34-L89 HydrophobicContact CZ-CD1 4.17Å; F34-L89 HydrophobicContact CZ-CD2 3.74Å; V77-L89 HydrophobicContact CB-CB 4.26Å; V77-L89 PolarHBondContact N-O 3.07Å; V77-L89 CarbonylContact O-C 3.42Å; V77-L89 WeakPolarHBondContact O-CA 3.43Å; V77-L89 WeakPolarHBondContact O-CB 3.37Å; V77-L89 PolarHBondContact O-N 2.92Å; V77-L89 VanDerWaalsContact O-O 3.11Å; I79-L89 HydrophobicContact CD1-CD1 3.85Å; L87-L89 HydrophobicContact CD1-CD2 4.03Å; L87-L89 HydrophobicContact CD2-CD2 4.45Å; L87-L89 HydrophobicContact CG-CD1 4.47Å; L87-L89 HydrophobicContact CG-CD2 3.99Å; L87-L89 HydrophobicContact CG-CG 4.14Å
90C96Very high93.8Very high0 Ų056.2 Ų56.20%030%0.303CS..EExtended strand (participates in β ladder)trans-142.1126.1171.6-171.60000109.4W10 W19 P68 N75 L76W10-C90 HydrophobicContact CB-CB 3.95Å; W10-C90 WeakPolarHBondContact CB-O 3.42Å; W10-C90 PolarHBondContact N-O 3.02Å; W10-C90 PolarHBondContact O-N 2.82Å; W19-C90 HydrophobicContact CE3-CB 4.46Å; W19-C90 HydrophobicContact CH2-CB 4.07Å; W19-C90 HydrophobicContact CZ3-CB 3.85Å; P68-C90 HydrophobicContact CG-CB 4.07Å; N75-C90 VanDerWaalsContact CB-SG 3.52Å; N75-C90 WeakPolarHBondContact O-CA 3.4Å; L76-C90 HydrophobicContact CD2-CB 4.08Å
91A95.9Very high93.8Very high1 Ų156.3 Ų56.31%0.00830%0.303CS..  trans-83.2177.5175.200000111.4L9 N71 N75 E96L9-A91 HydrophobicContact CD2-CB 3.94Å; N71-A91 PolarHBondContact OD1-O 3.45Å; N75-A91 WeakPolarHBondContact CB-O 3.49Å; N75-A91 PolarHBondContact ND2-O 3.05Å; N75-A91 PolarHBondContact O-N 3.31Å; A91-E96 HydrophobicContact CB-CB 3.74Å
92N92.9Very high93.8Very high121 Ų12161.1 Ų61.165%0.64733%0.328SS*.SBendtrans-87.1-21.6177.4-162.857.2000112.1N75 E96N75-N92 PolarHBondContact ND2-O 3.44Å; N92-E96 VanDerWaalsContact CB-OE2 3.26Å; N92-E96 WeakPolarHBondContact CB-OE2 3.37Å; N92-E96 PolarHBondContact N-OE2 3.49Å
93S94.3Very high93.9Very high39 Ų3953.6 Ų53.627%0.27330%0.303SS..SBendtrans-140.3165.1174710000112.7N75 E96 S97N75-S93 WeakPolarHBondContact OD1-CA 3.36Å; S93-E96 PolarHBondContact O-N 2.91Å; S93-E96 WeakPolarHBondContact OG-CG 3.39Å; S93-E96 PolarHBondContact OG-N 2.88Å; S93-E96 VanDerWaalsContact OG-N 3.14Å; S93-S97 PolarHBondContact O-N 2.86Å
94E94.2Very high94.2Very high105 Ų10545.4 Ų45.449%0.49127%0.265SS..Hα-helixtrans-61.1-45174.1-178.1177.7-175.500110.9E74 N75 E96 S97 L98E74-E94 HydrophobicContact CB-CB 4.24Å; E74-E94 HydrophobicContact CB-CG 4.19Å; N75-E94 PolarHBondContact OD1-N 2.8Å; E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.32Å; E94-S97 WeakPolarHBondContact O-CA 3.5Å; E94-S97 WeakPolarHBondContact O-CB 2.93Å; E94-S97 PolarHBondContact O-N 2.79Å; E94-S97 PolarHBondContact O-OG 3.05Å; E94-L98 HydrophobicContact CG-CD1 4.43Å; E94-L98 PolarHBondContact O-N 2.79Å
95D95.3Very high94.5Very high124 Ų12444 Ų4466%0.66324%0.242SC*.Hα-helixtrans-59.8-41.2177.7-63.7-45000112.1S97 L98 A99D95-S97 VanDerWaalsContact C-N 3.34Å; D95-L98 PolarHBondContact O-N 2.92Å; D95-A99 WeakPolarHBondContact O-CB 3.15Å; D95-A99 PolarHBondContact O-N 3.02Å
96E95.4Very high94.3Very high78 Ų7846.6 Ų46.636%0.36425%0.248SC..Hα-helixtrans-64.9-40.6174.8-77.6-175.4165.600111.4A91 N92 S93 E94 L98 A99 W100A91-E96 HydrophobicContact CB-CB 3.74Å; N92-E96 VanDerWaalsContact CB-OE2 3.26Å; N92-E96 WeakPolarHBondContact CB-OE2 3.37Å; N92-E96 PolarHBondContact N-OE2 3.49Å; S93-E96 PolarHBondContact O-N 2.91Å; S93-E96 WeakPolarHBondContact OG-CG 3.39Å; S93-E96 PolarHBondContact OG-N 2.88Å; S93-E96 VanDerWaalsContact OG-N 3.14Å; E94-E96 VanDerWaalsContact C-N 3.31Å; E94-E96 PolarHBondContact O-N 3.32Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 2.82Å; E96-A99 PolarHBondContact O-N 2.96Å; E96-W100 WeakPolarHBondContact O-CB 3.5Å; E96-W100 PolarHBondContact O-N 3.5Å
97S95.1Very high94Very high1 Ų144 Ų441%0.00723%0.233CC..Hα-helixtrans-59.8-43.1177.486.60000111.4E74 V77 S93 E94 D95 W100 K101E74-S97 PolarHBondContact O-OG 2.7Å; E74-S97 VanDerWaalsContact O-OG 3.07Å; V77-S97 WeakPolarHBondContact CG2-O 3.48Å; S93-S97 PolarHBondContact O-N 2.86Å; E94-S97 WeakPolarHBondContact O-CA 3.5Å; E94-S97 WeakPolarHBondContact O-CB 2.93Å; E94-S97 PolarHBondContact O-N 2.79Å; E94-S97 PolarHBondContact O-OG 3.05Å; D95-S97 VanDerWaalsContact C-N 3.34Å; S97-W100 PolarHBondContact O-N 3.14Å; S97-K101 PolarHBondContact O-N 2.9Å
98L95.4Very high93.4Very high68 Ų6847.6 Ų47.636%0.35625%0.245SC..Hα-helixtrans-67.2-45176.7-73.6172.4000111.1E94 D95 E96 W100 K101 L102E94-L98 HydrophobicContact CG-CD1 4.43Å; E94-L98 PolarHBondContact O-N 2.79Å; D95-L98 PolarHBondContact O-N 2.92Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 2.82Å; L98-W100 VanDerWaalsContact C-N 3.3Å; L98-W100 PolarHBondContact O-N 3.01Å; L98-K101 PolarHBondContact O-N 3.33Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.79Å
99A95.4Very high92.4Very high35 Ų3555.1 Ų55.129%0.28927%0.273SS..Hα-helixtrans-57.7-45.417600000111.1D95 E96 L102 T103D95-A99 WeakPolarHBondContact O-CB 3.15Å; D95-A99 PolarHBondContact O-N 3.02Å; E96-A99 PolarHBondContact O-N 2.96Å; A99-L102 PolarHBondContact O-N 3.4Å; A99-T103 PolarHBondContact O-N 3.21Å; A99-T103 PolarHBondContact O-OG1 2.79Å
100W95.8Very high90.8Very high6 Ų656.8 Ų56.82%0.02328%0.282CS..Hα-helixtrans-62-46.5175-82.3110.5000112.2K5 L9 C24 L26 L32 V77 E96 S97 L98 L102 T103 L104K5-W100 HydrophobicContact CB-CH2 4.28Å; K5-W100 HydrophobicContact CB-CZ3 4.23Å; K5-W100 HydrophobicContact CD-CD2 3.8Å; K5-W100 HydrophobicContact CD-CE3 3.76Å; K5-W100 HydrophobicContact CD-CG 4.46Å; K5-W100 HydrophobicContact CD-CH2 4.08Å; K5-W100 HydrophobicContact CD-CZ2 4.11Å; K5-W100 HydrophobicContact CD-CZ3 3.9Å; K5-W100 VanDerWaalsContact CE-CD2 3.43Å; K5-W100 HydrophobicContact CG-CE3 4.39Å; K5-W100 HydrophobicContact CG-CH2 3.83Å; K5-W100 HydrophobicContact CG-CZ2 4.02Å; K5-W100 HydrophobicContact CG-CZ3 4.02Å; L9-W100 HydrophobicContact CD1-CD2 3.83Å; L9-W100 HydrophobicContact CD1-CE3 4.24Å; L9-W100 HydrophobicContact CD1-CG 4.27Å; L9-W100 HydrophobicContact CD1-CH2 4.27Å; L9-W100 HydrophobicContact CD1-CZ2 3.87Å; L9-W100 HydrophobicContact CD1-CZ3 4.44Å; L9-W100 HydrophobicContact CD2-CG 4.43Å; L9-W100 HydrophobicContact CG-CZ2 4.16Å; C24-W100 HydrophobicContact CB-CH2 4.13Å; C24-W100 HydrophobicContact CB-CZ2 4.45Å; L26-W100 HydrophobicContact CB-CZ3 4.11Å; L32-W100 HydrophobicContact CD1-CZ3 4.41Å; V77-W100 HydrophobicContact CG2-CB 4.41Å; E96-W100 WeakPolarHBondContact O-CB 3.5Å; E96-W100 PolarHBondContact O-N 3.5Å; S97-W100 PolarHBondContact O-N 3.14Å; L98-W100 VanDerWaalsContact C-N 3.3Å; L98-W100 PolarHBondContact O-N 3.01Å; W100-L102 PolarHBondContact O-N 2.97Å; W100-T103 PolarHBondContact O-N 3.12Å; W100-L104 WeakPolarHBondContact O-CB 3.04Å; W100-L104 WeakPolarHBondContact O-CD1 3.41Å; W100-L104 WeakPolarHBondContact O-CG 3.19Å; W100-L104 PolarHBondContact O-N 3.36Å
101K95.1Very high88.9Confident33 Ų3361.9 Ų61.914%0.14332%0.315CS..Hα-helixtrans-55.7-49.8176.5173176.8172.1-1770111.8V56 S58 E61 S97 L98 L104 L105V56-K101 HydrophobicContact CB-CG 4.38Å; V56-K101 HydrophobicContact CG1-CB 4.2Å; V56-K101 HydrophobicContact CG1-CG 4.06Å; V56-K101 WeakPolarHBondContact O-CE 3.12Å; S58-K101 WeakPolarHBondContact OG-CD 3.26Å; E61-K101 IonicContact OE1-NZ 2.79Å; E61-K101 PolarHBondContact OE1-NZ 2.57Å; E61-K101 IonicContact OE2-NZ 2.73Å; E61-K101 PolarHBondContact OE2-NZ 2.73Å; S97-K101 PolarHBondContact O-N 2.9Å; L98-K101 PolarHBondContact O-N 3.33Å; K101-L104 PolarHBondContact O-N 3.17Å; K101-L105 HydrophobicContact CG-CD1 3.82Å; K101-L105 HydrophobicContact CG-CG 4.43Å; K101-L105 WeakPolarHBondContact O-CB 3.22Å; K101-L105 VanDerWaalsContact O-CG 3.3Å; K101-L105 WeakPolarHBondContact O-CG 3.41Å; K101-L105 PolarHBondContact O-N 3.17Å
102L93.4Very high86.8Confident115 Ų11566.5 Ų66.560%0.60234%0.343SS*.Hα-helixtrans-60.7-49.7-179-68.3173.9000111.3L98 A99 W100 L104 L105 E106L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.79Å; A99-L102 PolarHBondContact O-N 3.4Å; W100-L102 PolarHBondContact O-N 2.97Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.15Å; L102-L105 PolarHBondContact O-N 3.19Å; L102-E106 WeakPolarHBondContact O-CB 2.83Å; L102-E106 PolarHBondContact O-N 2.66Å
103T92.9Very high84.8Confident30 Ų3066.2 Ų66.218%0.18434%0.336CS..Hα-helixtrans-64.1-37.8179.6-47.90000112.2K5 L26 A99 W100 E106 T107K5-T103 HydrophobicContact CB-CG2 4.26Å; K5-T103 HydrophobicContact CD-CG2 4.46Å; L26-T103 HydrophobicContact CD2-CG2 3.59Å; A99-T103 PolarHBondContact O-N 3.21Å; A99-T103 PolarHBondContact O-OG1 2.79Å; W100-T103 PolarHBondContact O-N 3.12Å; T103-E106 PolarHBondContact O-N 3.33Å; T103-T107 WeakPolarHBondContact O-CB 3.37Å; T103-T107 PolarHBondContact O-N 2.9Å; T103-T107 PolarHBondContact O-OG1 3.18Å
104L93.7Very high82.5Confident1 Ų167.3 Ų67.31%0.00535%0.347CS..Hα-helixtrans-66.1-43.8177.4-69.6166000111.7L26 L32 L49 V56 V77 I79 W100 K101 L102 T107 R108L26-L104 HydrophobicContact CD1-CD2 4.42Å; L26-L104 HydrophobicContact CD2-CD2 4.11Å; L32-L104 HydrophobicContact CD1-CD2 4.11Å; L32-L104 HydrophobicContact CD2-CD2 4.09Å; L49-L104 HydrophobicContact CD1-CD2 3.32Å; L49-L104 HydrophobicContact CD2-CD2 4.38Å; L49-L104 HydrophobicContact CG-CD2 4.48Å; V56-L104 HydrophobicContact CG1-CB 4.38Å; V56-L104 HydrophobicContact CG1-CD1 3.97Å; V56-L104 HydrophobicContact CG2-CB 4Å; V77-L104 HydrophobicContact CG1-CD1 4.14Å; I79-L104 HydrophobicContact CD1-CD1 3.84Å; I79-L104 HydrophobicContact CD1-CD2 4.23Å; I79-L104 HydrophobicContact CG1-CD1 4.01Å; W100-L104 WeakPolarHBondContact O-CB 3.04Å; W100-L104 WeakPolarHBondContact O-CD1 3.41Å; W100-L104 WeakPolarHBondContact O-CG 3.19Å; W100-L104 PolarHBondContact O-N 3.36Å; K101-L104 PolarHBondContact O-N 3.17Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.15Å; L104-T107 PolarHBondContact O-N 2.9Å; L104-R108 PolarHBondContact O-N 2.85Å
105L91.5Very high80.1Confident37 Ų3771.2 Ų71.219%0.19436%0.359CS..Hα-helixtrans-65.8-39.8176.7-71.9173.2000112V56 K101 L102 R108 R109V56-L105 HydrophobicContact CB-CD2 3.9Å; V56-L105 HydrophobicContact CB-CG 4.01Å; V56-L105 HydrophobicContact CG2-CD2 3.89Å; V56-L105 HydrophobicContact CG2-CG 4.2Å; K101-L105 HydrophobicContact CG-CD1 3.82Å; K101-L105 HydrophobicContact CG-CG 4.43Å; K101-L105 WeakPolarHBondContact O-CB 3.22Å; K101-L105 VanDerWaalsContact O-CG 3.3Å; K101-L105 WeakPolarHBondContact O-CG 3.41Å; K101-L105 PolarHBondContact O-N 3.17Å; L102-L105 PolarHBondContact O-N 3.19Å; L105-R108 PolarHBondContact O-N 3.09Å; L105-R109 WeakPolarHBondContact O-CB 3.39Å; L105-R109 PolarHBondContact O-N 3.36Å
106E87.7Confident77.8Confident105 Ų10568.6 Ų68.649%0.49135%0.345SS..Hα-helixtrans-62.4-48.1174.8-175.8179-174.100111.1L102 T103 R108 R109 N110L102-E106 WeakPolarHBondContact O-CB 2.83Å; L102-E106 PolarHBondContact O-N 2.66Å; T103-E106 PolarHBondContact O-N 3.33Å; E106-R108 VanDerWaalsContact C-N 3.27Å; E106-R108 PolarHBondContact O-N 2.93Å; E106-R109 PolarHBondContact O-N 2.81Å; E106-R109 VanDerWaalsContact O-N 3.07Å; E106-N110 WeakPolarHBondContact O-CB 3.01Å; E106-N110 PolarHBondContact O-N 3.24Å
107T86.1Confident75.6Confident7 Ų768.2 Ų68.24%0.04335%0.349CS..Hα-helixtrans-61.8-36.3179.3-54.50000112.2L4 L26 K50 T103 L104L4-T107 HydrophobicContact CD1-CG2 4.05Å; L4-T107 WeakPolarHBondContact CD1-OG1 3.39Å; L26-T107 HydrophobicContact CD1-CG2 4.13Å; K50-T107 WeakPolarHBondContact CE-O 3.34Å; T103-T107 WeakPolarHBondContact O-CB 3.37Å; T103-T107 PolarHBondContact O-N 2.9Å; T103-T107 PolarHBondContact O-OG1 3.18Å; L104-T107 PolarHBondContact O-N 2.9Å
108R83.6Confident73.5Confident82 Ų8277.8 Ų77.831%0.30939%0.387SS..Hα-helixtrans-65.8-44.6173.5-179.1-158.763.9-171.4-6.7111.4C53 I54 L104 L105 E106 N110C53-R108 HydrophobicContact CB-CG 4.46Å; C53-R108 WeakPolarHBondContact O-CD 3.23Å; I54-R108 PolarHBondContact O-NH1 3.02Å; L104-R108 PolarHBondContact O-N 2.85Å; L105-R108 PolarHBondContact O-N 3.09Å; E106-R108 VanDerWaalsContact C-N 3.27Å; E106-R108 PolarHBondContact O-N 2.93Å; R108-N110 VanDerWaalsContact C-N 3.32Å
109R74.9Confident71.4Confident169 Ų16979.3 Ų79.364%0.63840%0.395SS*.Hα-helixtrans-73.4-25.8-175.2-174.1176.2144.6173.7-10.2112.3L105 E106 P111L105-R109 WeakPolarHBondContact O-CB 3.39Å; L105-R109 PolarHBondContact O-N 3.36Å; E106-R109 PolarHBondContact O-N 2.81Å; E106-R109 VanDerWaalsContact O-N 3.07Å; R109-P111 WeakPolarHBondContact O-CD 3.38Å
110N62.2Low69.4Low36 Ų3681.9 Ų81.919%0.19340%0.404CS..  trans-87106.3-175.9-161.6-27.2000111.7K50 E106 R108 V112 F113K50-N110 WeakPolarHBondContact CE-O 3.15Å; K50-N110 PolarHBondContact NZ-O 3.44Å; E106-N110 WeakPolarHBondContact O-CB 3.01Å; E106-N110 PolarHBondContact O-N 3.24Å; R108-N110 VanDerWaalsContact C-N 3.32Å; N110-V112 VanDerWaalsContact C-N 3.27Å; N110-V112 PolarHBondContact O-N 2.76Å; N110-V112 PolarHBondContact OD1-N 3.15Å; N110-V112 VanDerWaalsContact OD1-N 3.12Å; N110-V112 PolarHBondContact OD1-O 2.85Å; N110-V112 VanDerWaalsContact OD1-O 3.09Å; N110-F113 WeakPolarHBondContact ND2-CD2 3.24Å; N110-F113 WeakPolarHBondContact ND2-CE2 3.09Å; N110-F113 VanDerWaalsContact ND2-CG 3.26Å; N110-F113 WeakPolarHBondContact ND2-CG 3.15Å; N110-F113 PolarHBondContact OD1-N 2.76Å
111P55.5Low67.5Low106 Ų10684.4 Ų84.469%0.68842%0.422SS*.SBendtrans-60.6-40.317923.8-31.2000110.7K50 R109K50-P111 PolarHBondContact NZ-O 3.24Å; R109-P111 WeakPolarHBondContact O-CD 3.38Å
112V51.9Low65.6Low99 Ų9988.5 Ų88.560%0.644%0.438SS*.  trans-158.3113.9176.8-163.80000106.9N110 A114N110-V112 VanDerWaalsContact C-N 3.27Å; N110-V112 PolarHBondContact O-N 2.76Å; N110-V112 PolarHBondContact OD1-N 3.15Å; N110-V112 VanDerWaalsContact OD1-N 3.12Å; N110-V112 PolarHBondContact OD1-O 2.85Å; N110-V112 VanDerWaalsContact OD1-O 3.09Å; V112-A114 HydrophobicContact CB-CB 4.36Å; V112-A114 HydrophobicContact CG1-CB 3.74Å; V112-A114 PolarHBondContact O-N 3.3Å
113F51.6Low63.8Low114 Ų11488.6 Ų88.650%0.544%0.435SS..  trans-70.576.2151.5-105.4-67.6000105.1I28 N110 Y115I28-F113 HydrophobicContact CD1-CB 3.74Å; I28-F113 HydrophobicContact CG1-CB 4.09Å; N110-F113 WeakPolarHBondContact ND2-CD2 3.24Å; N110-F113 WeakPolarHBondContact ND2-CE2 3.09Å; N110-F113 VanDerWaalsContact ND2-CG 3.26Å; N110-F113 WeakPolarHBondContact ND2-CG 3.15Å; N110-F113 PolarHBondContact OD1-N 2.76Å; F113-Y115 VanDerWaalsContact C-N 3.3Å; F113-Y115 PolarHBondContact O-N 2.84Å
114A45.4Very low62.3Low62 Ų6289.6 Ų89.651%0.51245%0.447SS..  trans-78.998.4157.800000102.1V112 D116V112-A114 HydrophobicContact CB-CB 4.36Å; V112-A114 HydrophobicContact CG1-CB 3.74Å; V112-A114 PolarHBondContact O-N 3.3Å; A114-D116 PolarHBondContact O-N 3.02Å
115Y44.9Very low60.9Low187 Ų18791.9 Ų91.973%0.73346%0.46SS*.  trans-63.891.8155.2174.7-99.4000104.8F113 P117F113-Y115 VanDerWaalsContact C-N 3.3Å; F113-Y115 PolarHBondContact O-N 2.84Å; Y115-P117 HydrophobicContact CE1-CB 3.96Å; Y115-P117 HydrophobicContact CE1-CG 4.36Å; Y115-P117 WeakPolarHBondContact O-CD 3.48Å
116D46.1Very low59.4Low70 Ų7094.7 Ų94.737%0.37448%0.481SS..  trans-92.9107.2169.2179.72.2000105.8A114 Y118 D119A114-D116 PolarHBondContact O-N 3.02Å; D116-Y118 PolarHBondContact O-N 2.98Å; D116-Y118 WeakPolarHBondContact OD1-CA 3.46Å; D116-Y118 VanDerWaalsContact OD1-CB 3.32Å; D116-Y118 WeakPolarHBondContact OD1-CB 3.49Å; D116-Y118 WeakPolarHBondContact OD1-CD2 3.38Å; D116-Y118 PolarHBondContact OD1-N 3.27Å; D116-D119 HydrophobicContact CB-CB 3.6Å; D116-D119 PolarHBondContact O-N 2.97Å
117P48.9Very low58.1Low69 Ų6996.2 Ų96.245%0.44849%0.49SS..THydrogen-bonded Turntrans-62.1-5.7176.826.2-33.1000113Y115Y115-P117 HydrophobicContact CE1-CB 3.96Å; Y115-P117 HydrophobicContact CE1-CG 4.36Å; Y115-P117 WeakPolarHBondContact O-CD 3.48Å
118Y51.8Low57.2Low203 Ų203101 Ų10180%0.79652%0.515SS*.THydrogen-bonded Turntrans-103.3-7.6172.7-53-74.5000113.6D116 D120D116-Y118 PolarHBondContact O-N 2.98Å; D116-Y118 WeakPolarHBondContact OD1-CA 3.46Å; D116-Y118 VanDerWaalsContact OD1-CB 3.32Å; D116-Y118 WeakPolarHBondContact OD1-CB 3.49Å; D116-Y118 WeakPolarHBondContact OD1-CD2 3.38Å; D116-Y118 PolarHBondContact OD1-N 3.27Å; Y118-D120 VanDerWaalsContact C-N 3.29Å
119D51.3Low56Low100 Ų100100.6 Ų100.654%0.53554%0.536SS..  trans-90.17.4174.8-161.927.5000112.5D116 S121D116-D119 HydrophobicContact CB-CB 3.6Å; D116-D119 PolarHBondContact O-N 2.97Å; D119-S121 PolarHBondContact O-N 2.8Å
120D53.9Low55.4Low89 Ų8999.5 Ų99.548%0.47653%0.533SS..  trans-68.749.1157.3-80.4-30.1000110.6Y118 Y122Y118-D120 VanDerWaalsContact C-N 3.29Å; D120-Y122 HydrophobicContact CB-CD2 4.16Å; D120-Y122 HydrophobicContact CB-CE2 3.93Å; D120-Y122 WeakPolarHBondContact O-CD2 3.32Å; D120-Y122 PolarHBondContact O-N 2.82Å
121S54.6Low55.1Low58 Ų58101.1 Ų101.141%0.40654%0.539SS..  trans-77.563.2175.260.90000109.5D119 Q123 P137D119-S121 PolarHBondContact O-N 2.8Å; S121-Q123 PolarHBondContact O-N 3.26Å; S121-P137 WeakPolarHBondContact O-CD 3.5Å
122Y54.7Low55.4Low119 Ų11997.5 Ų97.547%0.46752%0.515SS..  trans-57.6111.2168.7-70.1-83.9000108.5D120 A124 T136D120-Y122 HydrophobicContact CB-CD2 4.16Å; D120-Y122 HydrophobicContact CB-CE2 3.93Å; D120-Y122 WeakPolarHBondContact O-CD2 3.32Å; D120-Y122 PolarHBondContact O-N 2.82Å; Y122-A124 PolarHBondContact O-N 3.14Å; Y122-A124 VanDerWaalsContact O-N 3.11Å; Y122-T136 WeakPolarHBondContact CE1-OG1 3.32Å
123Q57.2Low55.9Low118 Ų11893.4 Ų93.455%0.55149%0.49SS*.EExtended strand (participates in β ladder)trans-74.6106.4171.8-167.6177.3-22.900107.4S121 V125 I135S121-Q123 PolarHBondContact O-N 3.26Å; Q123-V125 HydrophobicContact CG-CG2 4.42Å; Q123-V125 PolarHBondContact O-N 3.06Å; Q123-I135 PolarHBondContact N-O 3.11Å; Q123-I135 PolarHBondContact O-N 2.84Å
124A59.8Low56.3Low51 Ų5191.4 Ų91.442%0.42148%0.48SS..EExtended strand (participates in β ladder)trans-74.7107.2174.200000109Y122 P126 T132 Y134Y122-A124 PolarHBondContact O-N 3.14Å; Y122-A124 VanDerWaalsContact O-N 3.11Å; A124-P126 WeakPolarHBondContact O-CD 3.45Å; A124-T132 HydrophobicContact CB-CG2 3.77Å; A124-Y134 HydrophobicContact CB-CD1 3.9Å; A124-Y134 HydrophobicContact CB-CE1 3.66Å
125V66.1Low57Low48 Ų4892 Ų9229%0.29147%0.474SS..EExtended strand (participates in β ladder)trans-98.8104.5171.9-175.90000107.6Q123 M127 V133 I135Q123-V125 HydrophobicContact CG-CG2 4.42Å; Q123-V125 PolarHBondContact O-N 3.06Å; V125-M127 PolarHBondContact O-N 3.17Å; V125-V133 PolarHBondContact N-O 2.97Å; V125-V133 PolarHBondContact O-N 2.9Å; V125-I135 HydrophobicContact CG2-CD1 3.87Å; V125-I135 HydrophobicContact CG2-CG1 4.5Å
126P58.2Low57.7Low96 Ų9685.8 Ų85.862%0.62346%0.456SS*.EExtended strand (participates in β ladder)trans-69.8118.3175.927.9-31.5000109.1A124A124-P126 WeakPolarHBondContact O-CD 3.45Å
127M61.7Low58Low138 Ų13886.1 Ų86.168%0.6846%0.461SS*.EExtended strand (participates in β ladder)trans-84.3-37.8174.4-67.5-84.2-168.200110.6V125 H131 V133V125-M127 PolarHBondContact O-N 3.17Å; M127-H131 HydrophobicContact CB-CB 4.35Å; M127-H131 PolarHBondContact N-O 3.45Å; M127-V133 HydrophobicContact CE-CB 4.32Å; M127-V133 HydrophobicContact CE-CG2 3.67Å; M127-V133 HydrophobicContact CG-CG2 3.7Å
128N66.4Low58.2Low107 Ų10786.5 Ų86.557%0.57248%0.477SS*.EExtended strand (participates in β ladder)trans-157.3166.5178.5-168.7-3.6000108.6Y130 H131N128-Y130 PolarHBondContact O-N 2.97Å; N128-H131 PolarHBondContact N-O 2.9Å; N128-H131 PolarHBondContact O-N 2.79Å; N128-H131 VanDerWaalsContact O-O 3.07Å
129G59.8Low58.1Low73 Ų7379.7 Ų79.775%0.75346%0.463SS*.THydrogen-bonded Turntrans-55.6-14.8-178.700000115.6
130Y61.1Low58.1Low146 Ų14676.6 Ų76.657%0.57346%0.455SS*.THydrogen-bonded Turntrans-117.2-3.9178.9-55.2-75.9000114.2N128N128-Y130 PolarHBondContact O-N 2.97Å
131H55.8Low57.4Low71 Ų7178.8 Ų78.833%0.32947%0.474SS..EExtended strand (participates in β ladder)trans-132.9115-173.6-7280.8000110.4M127 N128M127-H131 HydrophobicContact CB-CB 4.35Å; M127-H131 PolarHBondContact N-O 3.45Å; N128-H131 PolarHBondContact N-O 2.9Å; N128-H131 PolarHBondContact O-N 2.79Å; N128-H131 VanDerWaalsContact O-O 3.07Å
132T62.8Low57.2Low30 Ų3078.6 Ų78.618%0.18448%0.481CS..EExtended strand (participates in β ladder)trans-120.2129.4176.3-56.30000108.7A124 Y134A124-T132 HydrophobicContact CB-CG2 3.77Å; T132-Y134 HydrophobicContact CG2-CE1 4.3Å; T132-Y134 HydrophobicContact CG2-CE2 4.01Å
133V62.6Low57.1Low12 Ų1277.6 Ų77.67%0.07349%0.488CS..EExtended strand (participates in β ladder)trans-101.4130174.9-179.60000108.2V125 M127 I135 I147V125-V133 PolarHBondContact N-O 2.97Å; V125-V133 PolarHBondContact O-N 2.9Å; M127-V133 HydrophobicContact CE-CB 4.32Å; M127-V133 HydrophobicContact CE-CG2 3.67Å; M127-V133 HydrophobicContact CG-CG2 3.7Å; V133-I135 HydrophobicContact CG1-CD1 4.46Å; V133-I135 HydrophobicContact CG1-CG1 3.92Å; V133-I147 HydrophobicContact CG2-CG1 4.37Å
134Y59.1Low56.9Low73 Ų7380.1 Ų80.129%0.28650%0.499SS..EExtended strand (participates in β ladder)trans-101.3118.6177-66.7-84.2000108.5A124 T132 V146 V148A124-Y134 HydrophobicContact CB-CD1 3.9Å; A124-Y134 HydrophobicContact CB-CE1 3.66Å; T132-Y134 HydrophobicContact CG2-CE1 4.3Å; T132-Y134 HydrophobicContact CG2-CE2 4.01Å; Y134-V146 PolarHBondContact N-O 2.89Å; Y134-V148 HydrophobicContact CD2-CB 4.37Å; Y134-V148 HydrophobicContact CD2-CG2 4.02Å; Y134-V148 HydrophobicContact CE2-CB 4.09Å; Y134-V148 HydrophobicContact CE2-CG2 4.1Å
135I59.7Low56.6Low75 Ų7585 Ų8539%0.38551%0.513SS..EExtended strand (participates in β ladder)trans-116.2125.2-177.4-50.9176.6000108.3Q123 V125 V133 P137Q123-I135 PolarHBondContact N-O 3.11Å; Q123-I135 PolarHBondContact O-N 2.84Å; V125-I135 HydrophobicContact CG2-CD1 3.87Å; V125-I135 HydrophobicContact CG2-CG1 4.5Å; V133-I135 HydrophobicContact CG1-CD1 4.46Å; V133-I135 HydrophobicContact CG1-CG1 3.92Å; I135-P137 WeakPolarHBondContact O-CD 3.33Å
136T59.5Low56.2Low56 Ų5686.5 Ų86.534%0.34452%0.522SS..  trans-84.9115.9175.1-49.90000109.9Y122 G138Y122-T136 WeakPolarHBondContact CE1-OG1 3.32Å; T136-G138 PolarHBondContact O-N 2.85Å
137P52.9Low56.1Low77 Ų7787.1 Ų87.150%0.552%0.52SS..THydrogen-bonded Turntrans-83.892.1179.732-28.3000109.5S121 I135S121-P137 WeakPolarHBondContact O-CD 3.5Å; I135-P137 WeakPolarHBondContact O-CD 3.33Å
138G54.1Low55.9Low76 Ų7683.8 Ų83.878%0.78451%0.507SS*.THydrogen-bonded Turntrans164.1-14.8173.800000117.3T136T136-G138 PolarHBondContact O-N 2.85Å
139A49.4Very low55.3Low60 Ų6085.3 Ų85.350%0.49651%0.511SS..  trans-83.4124.3176.300000110.2
140G49.9Very low55.1Low36 Ų3689.4 Ų89.437%0.37150%0.503SS..  trans-57.1-171.8167.600000113G142G140-G142 PolarHBondContact O-N 3.23Å
141P41.1Very low54.8Low134 Ų13488.1 Ų88.187%0.8751%0.506SS*.SBendtrans-56.8106.3-162.523.3-32.6000111.9
142G50.2Low54.8Low54 Ų5488.2 Ų88.256%0.55751%0.513SS*.  trans148.332.3-171.200000114.4G140 H144G140-G142 PolarHBondContact O-N 3.23Å; G142-H144 PolarHBondContact O-N 2.96Å; G142-H144 VanDerWaalsContact O-N 3.14Å
143T51.7Low54.5Low98 Ų9894 Ų9460%0.60154%0.536SS*.  trans-56.8113.7-176.142.80000112.4Q145T143-Q145 PolarHBondContact O-N 2.87Å
144H53.1Low54.1Low172 Ų17298.7 Ų98.780%0.79656%0.561SS**  trans-72.9105.8166.9-82.5-106.9000108.8G142G142-H144 PolarHBondContact O-N 2.96Å; G142-H144 VanDerWaalsContact O-N 3.14Å
145Q54.2Low53.8Low152 Ų15297.1 Ų97.171%0.7157%0.566SS**  trans-91.5120.5172.853.5-176.3-17.400109.2T143T143-Q145 PolarHBondContact O-N 2.87Å
146V56.1Low53.7Low80 Ų8097 Ų9749%0.48557%0.569SS.*EExtended strand (participates in β ladder)trans-111.2117.1173.6-1760000108.1Y134 V148Y134-V146 PolarHBondContact N-O 2.89Å; V146-V148 HydrophobicContact CG1-CG2 4.01Å
147I57.1Low53.5Low110 Ų11097.8 Ų97.856%0.56458%0.581SS**EExtended strand (participates in β ladder)trans-95113174.8-57.5175.2000106.7V133V133-I147 HydrophobicContact CG2-CG1 4.37Å
148V57.2Low53.5Low68 Ų68101 Ų10141%0.41259%0.589SS.*EExtended strand (participates in β ladder)trans-102.2113174.4-176.10000107.6Y134 V146Y134-V148 HydrophobicContact CD2-CB 4.37Å; Y134-V148 HydrophobicContact CD2-CG2 4.02Å; Y134-V148 HydrophobicContact CE2-CB 4.09Å; Y134-V148 HydrophobicContact CE2-CG2 4.1Å; V146-V148 HydrophobicContact CG1-CG2 4.01Å
149Q54.6Low53.5Low139 Ų139101.4 Ų101.465%0.6558%0.58SS**EExtended strand (participates in β ladder)trans-85.2115171.5-173.9176.9-11.800107.8
150R54.7Low54Low159 Ų159102.5 Ų102.560%0.658%0.581SS**  trans-78.2135177.8-135.4175.4-169.7152.63.2108.8
151D55Low54.4Low118 Ų118103.3 Ų103.363%0.63158%0.584SS**  trans-62.7129.9-178.4-137-27.7000109.3F153 D154D151-F153 PolarHBondContact O-N 3.21Å; D151-D154 PolarHBondContact O-N 2.92Å
152P55.7Low55.2Low73 Ų73103 Ų10347%0.47457%0.574SS.*THydrogen-bonded Turntrans-59.7-14.9-172.3-25.634.9000115.1
153F55.8Low55.6Low153 Ų153102.6 Ų102.667%0.67157%0.57SS**THydrogen-bonded Turntrans-96.8-6.1-174.1-66.4-77.8000114.5D151 G155 V156D151-F153 PolarHBondContact O-N 3.21Å; F153-G155 PolarHBondContact O-N 3.12Å; F153-V156 HydrophobicContact CD1-CG2 4.26Å; F153-V156 PolarHBondContact O-N 3.21Å; F153-V156 VanDerWaalsContact O-N 3.12Å
154D54.6Low56Low110 Ų110103.5 Ų103.559%0.58857%0.57SS**THydrogen-bonded Turntrans-64.9-26.9-172.6-140.515.7000112.8D151D151-D154 PolarHBondContact O-N 2.92Å
155G53.9Low56.2Low39 Ų39101.3 Ų101.340%0.40256%0.564SS.*THydrogen-bonded Turntrans-93.5-7.9176.500000115.6F153 S159F153-G155 PolarHBondContact O-N 3.12Å; G155-S159 PolarHBondContact O-N 2.75Å; G155-S159 PolarHBondContact O-OG 3.41Å
156V56Low56.5Low74 Ų7497.1 Ų97.145%0.44856%0.555SS.*Hα-helixtrans-72.5-35.9-177.1177.40000110.4F153 S159 V160F153-V156 HydrophobicContact CD1-CG2 4.26Å; F153-V156 PolarHBondContact O-N 3.21Å; F153-V156 VanDerWaalsContact O-N 3.12Å; V156-S159 PolarHBondContact O-N 3.26Å; V156-V160 HydrophobicContact CG1-CG2 4.28Å; V156-V160 WeakPolarHBondContact O-CB 3.47Å; V156-V160 WeakPolarHBondContact O-CG2 3.22Å; V156-V160 PolarHBondContact O-N 3.35Å
157A55.6Low56.6Low72 Ų7295.4 Ų95.460%0.59555%0.554SS**Hα-helixtrans-65.2-43.4178.900000112.7V160 A161A157-V160 PolarHBondContact O-N 3.04Å; A157-A161 WeakPolarHBondContact O-CB 3.41Å; A157-A161 PolarHBondContact O-N 3.48Å
158E53.6Low56.7Low144 Ų14496.8 Ų96.867%0.67356%0.56SS**Hα-helixtrans-65.2-40.6176.3-72.4-171.9154.800111.8V160 A161 L162E158-V160 PolarHBondContact O-N 2.95Å; E158-A161 PolarHBondContact O-N 3.42Å; E158-L162 PolarHBondContact O-N 2.98Å
159S54.3Low56.5Low84 Ų8496.9 Ų96.959%0.58757%0.568SS**Hα-helixtrans-63.8-40.3177.8-54.20000112.2G155 V156 G163G155-S159 PolarHBondContact O-N 2.75Å; G155-S159 PolarHBondContact O-OG 3.41Å; V156-S159 PolarHBondContact O-N 3.26Å; S159-G163 PolarHBondContact O-N 3.31Å
160V59.7Low56.6Low84 Ų8492.7 Ų92.751%0.50956%0.557SS.*Hα-helixtrans-69.1-39.9176.1170.90000111.2V156 A157 E158 G163 L164V156-V160 HydrophobicContact CG1-CG2 4.28Å; V156-V160 WeakPolarHBondContact O-CB 3.47Å; V156-V160 WeakPolarHBondContact O-CG2 3.22Å; V156-V160 PolarHBondContact O-N 3.35Å; A157-V160 PolarHBondContact O-N 3.04Å; E158-V160 PolarHBondContact O-N 2.95Å; V160-G163 PolarHBondContact O-N 2.97Å; V160-L164 HydrophobicContact CG1-CD1 4.14Å; V160-L164 WeakPolarHBondContact O-CB 3.5Å; V160-L164 PolarHBondContact O-N 2.99Å
161A57.5Low56.7Low52 Ų5287 Ų8743%0.4355%0.548SS..Hα-helixtrans-64.1-42.2177.200000112.4A157 E158 L164 L165A157-A161 WeakPolarHBondContact O-CB 3.41Å; A157-A161 PolarHBondContact O-N 3.48Å; E158-A161 PolarHBondContact O-N 3.42Å; A161-L164 PolarHBondContact O-N 3.4Å; A161-L165 PolarHBondContact O-N 3.11Å; A161-L165 VanDerWaalsContact O-N 3.11Å
162L58.4Low56.7Low129 Ų12984.7 Ų84.768%0.67555%0.545SS*.Hα-helixtrans-65.8-40.1174.4-111.4136.2000112.3E158 L165 A166E158-L162 PolarHBondContact O-N 2.98Å; L162-L165 PolarHBondContact O-N 3.41Å; L162-A166 WeakPolarHBondContact O-CB 3.5Å; L162-A166 PolarHBondContact O-N 3.42Å
163G58.4Low56.7Low45 Ų4583.8 Ų83.846%0.46454%0.543SS..Hα-helixtrans-62.7-39.9174.500000113.2S159 V160 G167S159-G163 PolarHBondContact O-N 3.31Å; V160-G163 PolarHBondContact O-N 2.97Å; G163-G167 PolarHBondContact O-N 3.03Å
164L60.1Low56.5Low116 Ų11683 Ų8361%0.60754%0.543SS*.Hα-helixtrans-64.6-43.8175.3-90.9160.6000112.4V160 A161 G167 M168V160-L164 HydrophobicContact CG1-CD1 4.14Å; V160-L164 WeakPolarHBondContact O-CB 3.5Å; V160-L164 PolarHBondContact O-N 2.99Å; A161-L164 PolarHBondContact O-N 3.4Å; L164-G167 PolarHBondContact O-N 3.31Å; L164-M168 WeakPolarHBondContact O-CG 3.45Å; L164-M168 PolarHBondContact O-N 3.03Å
165L58.4Low56.3Low126 Ų12687.8 Ų87.866%0.6655%0.553SS**Hα-helixtrans-64.4-43.1177.2-92.4164.1000112.6A161 L162 G167 M168 A169A161-L165 PolarHBondContact O-N 3.11Å; A161-L165 VanDerWaalsContact O-N 3.11Å; L162-L165 PolarHBondContact O-N 3.41Å; L165-G167 VanDerWaalsContact C-N 3.32Å; L165-G167 PolarHBondContact O-N 3.02Å; L165-M168 PolarHBondContact O-N 3.22Å; L165-A169 PolarHBondContact O-N 3.04Å
166A59.2Low56.2Low64 Ų6489.4 Ų89.453%0.52956%0.558SS.*Hα-helixtrans-63.2-38.9175.300000112L162 A169 A170L162-A166 WeakPolarHBondContact O-CB 3.5Å; L162-A166 PolarHBondContact O-N 3.42Å; A166-A169 PolarHBondContact O-N 3.2Å; A166-A170 PolarHBondContact O-N 3.33Å
167G57.9Low56.2Low45 Ų4594 Ų9446%0.46457%0.573SS.*Hα-helixtrans-63.5-38.7174.800000113.5G163 L164 L165 G171G163-G167 PolarHBondContact O-N 3.03Å; L164-G167 PolarHBondContact O-N 3.31Å; L165-G167 VanDerWaalsContact C-N 3.32Å; L165-G167 PolarHBondContact O-N 3.02Å; G167-G171 PolarHBondContact O-N 3.48Å
168M59.1Low56.1Low139 Ų13997.8 Ų97.869%0.68558%0.582SS**Hα-helixtrans-66.7-39176.7-72.8-176.374.600112.7L164 L165 G171 A172L164-M168 WeakPolarHBondContact O-CG 3.45Å; L164-M168 PolarHBondContact O-N 3.03Å; L165-M168 PolarHBondContact O-N 3.22Å; M168-G171 PolarHBondContact O-N 3.37Å; M168-A172 PolarHBondContact O-N 3.45Å
169A54.7Low56.1Low70 Ų70101.9 Ų101.958%0.57959%0.591SS**Hα-helixtrans-65.9-40.8177.300000112.3L165 A166L165-A169 PolarHBondContact O-N 3.04Å; A166-A169 PolarHBondContact O-N 3.2Å
170A56.3Low56.2Low51 Ų51105.8 Ų105.842%0.42160%0.603SS.*Hα-helixtrans-68.4-36.6175.800000112.6A166 A172 A173 M174A166-A170 PolarHBondContact O-N 3.33Å; A170-A172 VanDerWaalsContact C-N 3.35Å; A170-A172 PolarHBondContact O-N 3.47Å; A170-A173 PolarHBondContact O-N 3.4Å; A170-M174 WeakPolarHBondContact O-CE 3.46Å; A170-M174 PolarHBondContact O-N 3.44Å
171G55.6Low55.7Low40 Ų40106.4 Ų106.441%0.41261%0.608SS.*Hα-helixtrans-66.1-32.2177.400000114.1G167 M168G167-G171 PolarHBondContact O-N 3.48Å; M168-G171 PolarHBondContact O-N 3.37Å
172A56Low55.7Low69 Ų69113 Ų11357%0.5763%0.628SS**Hα-helixtrans-71.3-3817700000112.7M168 A170 R175M168-A172 PolarHBondContact O-N 3.45Å; A170-A172 VanDerWaalsContact C-N 3.35Å; A170-A172 PolarHBondContact O-N 3.47Å; A172-R175 PolarHBondContact O-N 3.19Å
173A54.8Low55.5Low53 Ų53116.6 Ų116.644%0.43864%0.638SS.*Hα-helixtrans-72-30.2-179.700000113.4A170 R175 S176 F177A170-A173 PolarHBondContact O-N 3.4Å; A173-R175 VanDerWaalsContact C-N 3.34Å; A173-S176 PolarHBondContact O-OG 2.92Å; A173-F177 WeakPolarHBondContact O-CD2 3.43Å
174M52.8Low54.8Low137 Ų137124.2 Ų124.268%0.67566%0.659SS**Hα-helixtrans-77.5-20.7177.1-71.4-173.1-82.700113.3A170A170-M174 WeakPolarHBondContact O-CE 3.46Å; A170-M174 PolarHBondContact O-N 3.44Å
175R49.6Very low53.9Low210 Ų210128.7 Ų128.779%0.79270%0.698SS**Hα-helixtrans-84.3-18177.9-154.3173.8171.5179.1-3113A172 A173A172-R175 PolarHBondContact O-N 3.19Å; A173-R175 VanDerWaalsContact C-N 3.34Å
176S53.1Low53.6Low73 Ų73128.9 Ų128.951%0.5170%0.7SS.*Hα-helixtrans-78.8-22.217762.30000114A173A173-S176 PolarHBondContact O-OG 2.92Å
177F54.8Low53.3Low171 Ų171132.3 Ų132.375%0.7571%0.709SS**G310 helixtrans-83.6-13.4177-78.5-76000114.1A173 W179A173-F177 WeakPolarHBondContact O-CD2 3.43Å; F177-W179 VanDerWaalsContact C-N 3.35Å
178L54.4Low53.1Low151 Ų151137.1 Ų137.179%0.79172%0.722SS**G310 helixtrans-86-5.8-176.9-141.3107000113.6
179W53.8Low52.7Low230 Ų230137 Ų13787%0.87172%0.724SS**G310 helixtrans-125.928.9-174.1-101.554.8000113.7F177 P181F177-W179 VanDerWaalsContact C-N 3.35Å; W179-P181 WeakPolarHBondContact O-CD 3.41Å
180M55.1Low52.6Low167 Ų167141.2 Ų141.282%0.82373%0.733SS**  trans-107.499.4164.3-94.6171.27900110.8
181P49Very low52.4Low97 Ų97147.2 Ų147.263%0.6375%0.754SS**  trans-97.9112.3156.126.6-12.1000110.5W179W179-P181 WeakPolarHBondContact O-CD 3.41Å
182F58.9Low52.1Low191 Ų191154.9 Ų154.984%0.83878%0.779SS**  trans53.892.1146.9-52.8-77.8000120.8
183F53.8Low51.8Low204 Ų204161.5 Ų161.590%0.89580%0.795SS**  trans-127.969.6148.2-86.6-78.2000110
184F43.8Very low51.6Low205 Ų205170.5 Ų170.590%0.89982%0.824SS**  trans-154.793.6160.5-95.7-74.3000108.4
185C39.8Very low51.5Low210 Ų210173.5 Ų173.5100%1.41984%0.838SS**  trans1790147.3-93.40000107.3

Retrieved 185 of 185 residues in 130.2 ms (Link to these results)

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