A0A077Z3R1_TRITR Loading...

ADP-ribosylation factor 6

AlphaFold DB , UniProt , Accession A0A077Z3R1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 175 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
1M46.8Very low55.4Low196 Ų196128.2 Ų128.297%0.96668%0.68SS**  0-44.40-72.3-65.2-11500113.8K3 L4 L5M1-K3 PolarHBondContact O-N 3.35Å; M1-L4 PolarHBondContact O-N 2.62Å; M1-L5 PolarHBondContact O-N 3.22Å
2G53.3Low58Low61 Ų61121.4 Ų121.463%0.62964%0.64SS**Hα-helixtrans-61.1-36.6-173.700000117.1L4 S6G2-L4 VanDerWaalsContact C-N 3.34Å; G2-L4 PolarHBondContact O-N 2.73Å; G2-S6 PolarHBondContact O-N 3.23Å
3K51.5Low60.8Low192 Ų192120.3 Ų120.384%0.83563%0.63SS**Hα-helixtrans-76-17.4179.4-70.9-172.6177.7-178.70114.6M1 S6M1-K3 PolarHBondContact O-N 3.35Å; K3-S6 PolarHBondContact O-OG 3.46Å
4L52.6Low63.2Low120 Ų120111.7 Ų111.763%0.62859%0.585SS**Hα-helixtrans-85.2-38.1178.4-156.679.1000110.6M1 G2 K7M1-L4 PolarHBondContact O-N 2.62Å; G2-L4 VanDerWaalsContact C-N 3.34Å; G2-L4 PolarHBondContact O-N 2.73Å; L4-K7 PolarHBondContact O-N 3.42Å
5L52.3Low65.5Low116 Ų116107.5 Ų107.561%0.60756%0.558SS**Hα-helixtrans-66.4-36.3176.5-75.7165.7000112.5M1 K7 I8 F9M1-L5 PolarHBondContact O-N 3.22Å; L5-K7 PolarHBondContact O-N 3.46Å; L5-I8 PolarHBondContact O-N 3.26Å; L5-F9 PolarHBondContact O-N 2.92Å
6S49.7Very low67.6Low77 Ų77100.8 Ų100.854%0.53852%0.523SS..Hα-helixtrans-65.1-27.6176.966.50000113.1G2 K3 I8 G10G2-S6 PolarHBondContact O-N 3.23Å; K3-S6 PolarHBondContact O-OG 3.46Å; S6-I8 VanDerWaalsContact C-N 3.29Å; S6-G10 PolarHBondContact O-N 2.9Å; S6-G10 VanDerWaalsContact O-N 3.14Å
7K50.7Low69.4Low185 Ų18594.9 Ų94.980%0.80449%0.492SS*.Hα-helixtrans-72.3-22.4172.4-80.7-169.4173.9-173.60113.2L4 L5L4-K7 PolarHBondContact O-N 3.42Å; L5-K7 PolarHBondContact O-N 3.46Å
8I55.3Low71.1Confident125 Ų12589.7 Ų89.764%0.64147%0.465SS*.Hα-helixtrans-90.6-22-177.4-60.6174.6000111.6L5 S6L5-I8 PolarHBondContact O-N 3.26Å; S6-I8 VanDerWaalsContact C-N 3.29Å
9F59.2Low72.5Confident190 Ų19084.9 Ų84.983%0.83344%0.441SS*.Hα-helixtrans-117-1.5-178.2-111.9-93.5000115.8L5 H11L5-F9 PolarHBondContact O-N 2.92Å; F9-H11 PolarHBondContact O-N 3.13Å
10G64.6Low73.8Confident55 Ų5580.7 Ų80.757%0.56742%0.419SS*.PPolyproline II helixtrans-69.5130.2177.400000111.8S6 K12S6-G10 PolarHBondContact O-N 2.9Å; S6-G10 VanDerWaalsContact O-N 3.14Å; G10-K12 PolarHBondContact O-N 3.11Å
11H73.2Confident75Confident93 Ų9377.4 Ų77.443%0.43140%0.402SS..PPolyproline II helixtrans-59.1132.4160.1-74.7-77.7000108.5F9 E13 N56 K58F9-H11 PolarHBondContact O-N 3.13Å; H11-E13 PolarHBondContact O-N 2.67Å; H11-N56 WeakPolarHBondContact CA-O 3.44Å; H11-N56 PolarHBondContact ND1-O 3.29Å; H11-N56 VanDerWaalsContact ND1-O 3.08Å; H11-K58 HydrophobicContact CB-CD 4.15Å; H11-K58 HydrophobicContact CB-CG 4.11Å
12K87.3Confident77.5Confident47 Ų4770.3 Ų70.320%0.20437%0.368CS..EExtended strand (participates in β ladder)trans-63.6124.2169.5176.2176.3175.7166.50107.3G10 L14 N56 V57 K58 C173 S175G10-K12 PolarHBondContact O-N 3.11Å; K12-L14 HydrophobicContact CG-CG 4.43Å; K12-N56 PolarHBondContact N-O 3.37Å; K12-V57 HydrophobicContact CB-CG1 4.46Å; K12-V57 HydrophobicContact CB-CG2 4.25Å; K12-V57 HydrophobicContact CD-CG2 4.48Å; K12-V57 HydrophobicContact CG-CG1 4.42Å; K12-V57 CarbonylContact O-C 3.56Å; K12-V57 VanDerWaalsContact O-CA 3.29Å; K12-V57 WeakPolarHBondContact O-CA 3.27Å; K12-V57 WeakPolarHBondContact O-CG1 3.34Å; K12-K58 PolarHBondContact O-N 3.49Å; K12-C173 PolarHBondContact NZ-O 3.36Å; K12-S175 WeakPolarHBondContact CD-OG 3.09Å; K12-S175 WeakPolarHBondContact CE-OG 3.41Å; K12-S175 PolarHBondContact NZ-OG 3.3Å
13E93.4Very high79.5Confident107 Ų10770.6 Ų70.650%0.536%0.364SS..EExtended strand (participates in β ladder)trans-101.6134.7175.1-57.6-160.5166.500109.7H11 K58H11-E13 PolarHBondContact O-N 2.67Å; E13-K58 CarbonylContact C-O 3.55Å; E13-K58 WeakPolarHBondContact CA-O 3.38Å; E13-K58 HydrophobicContact CG-CB 4.3Å
14L95.6Very high81.8Confident0 Ų061.6 Ų61.60%033%0.325CS..EExtended strand (participates in β ladder)trans-125.9127.4178.1-70.8179.1000109.8K12 V57 K58 F59 N60 C173K12-L14 HydrophobicContact CG-CG 4.43Å; L14-V57 HydrophobicContact CB-CG1 4.5Å; L14-V57 HydrophobicContact CD1-CG1 3.76Å; L14-V57 HydrophobicContact CG-CG1 3.98Å; L14-K58 PolarHBondContact N-O 2.89Å; L14-F59 HydrophobicContact CB-CD1 4.02Å; L14-F59 HydrophobicContact CB-CE1 4.22Å; L14-F59 HydrophobicContact CD1-CD1 4.32Å; L14-F59 HydrophobicContact CD1-CE1 3.68Å; L14-F59 HydrophobicContact CD1-CZ 4.02Å; L14-F59 CarbonylContact O-C 3.53Å; L14-F59 WeakPolarHBondContact O-CA 3.27Å; L14-N60 PolarHBondContact O-N 3.44Å; L14-C173 HydrophobicContact CD1-CB 3.74Å; L14-C173 HydrophobicContact CD2-CB 3.72Å; L14-C173 HydrophobicContact CG-CB 4.41Å
15R97.5Very high84Confident49 Ų4956.5 Ų56.519%0.18530%0.302CS..EExtended strand (participates in β ladder)trans-84.5114.4170.2-175.8166.3-179.7-90.53.5109.8Y77 T79 G80 T81 Q82 A83R15-Y77 PolarHBondContact NH1-O 2.93Å; R15-Y77 VanDerWaalsContact NH1-O 3.15Å; R15-Y77 PolarHBondContact NH2-O 3.38Å; R15-T79 VanDerWaalsContact CZ-O 3.24Å; R15-T79 PolarHBondContact NH1-O 2.89Å; R15-G80 WeakPolarHBondContact CD-O 3.39Å; R15-T81 PolarHBondContact NH1-OG1 3.19Å; R15-Q82 PolarHBondContact O-N 3.21Å; R15-A83 PolarHBondContact O-N 3.28Å
16A98.6Very high86.2Confident0 Ų051.6 Ų51.60%028%0.276CS..EExtended strand (participates in β ladder)trans-112.1136.5175.700000110.4F59 N60 V61 W62 A83 I85A16-F59 HydrophobicContact CB-CD1 4.49Å; A16-N60 PolarHBondContact N-O 2.82Å; A16-V61 HydrophobicContact CB-CG2 4.36Å; A16-V61 WeakPolarHBondContact O-CA 3.48Å; A16-W62 PolarHBondContact O-N 3.08Å; A16-A83 CarbonylContact C-O 3.53Å; A16-A83 VanDerWaalsContact CA-O 3.26Å; A16-A83 WeakPolarHBondContact CA-O 3.21Å; A16-A83 HydrophobicContact CB-CB 4.23Å; A16-I85 HydrophobicContact CB-CD1 4.06Å; A16-I85 HydrophobicContact CB-CG1 4.47Å
17L98.8Very high88.4Confident0 Ų048.8 Ų48.80%026%0.255CS..EExtended strand (participates in β ladder)trans-109.6118.7173.7-178.859.8000108.6L19 W62 V64 Y77 Y78 T81 A83 I85L17-L19 HydrophobicContact CD1-CD2 4.09Å; L17-L19 HydrophobicContact CD1-CG 4.42Å; L17-L19 HydrophobicContact CD2-CD1 3.84Å; L17-L19 HydrophobicContact CD2-CD2 4.47Å; L17-L19 HydrophobicContact CD2-CG 4.22Å; L17-L19 HydrophobicContact CG-CD1 4.06Å; L17-L19 HydrophobicContact CG-CD2 4.09Å; L17-L19 HydrophobicContact CG-CG 3.88Å; L17-W62 HydrophobicContact CD1-CB 3.68Å; L17-V64 HydrophobicContact CD1-CG2 3.78Å; L17-Y77 HydrophobicContact CD1-CG 4.43Å; L17-Y78 HydrophobicContact CD2-CD1 3.62Å; L17-Y78 HydrophobicContact CD2-CE1 4.08Å; L17-T81 HydrophobicContact CB-CG2 3.62Å; L17-A83 PolarHBondContact N-O 2.98Å; L17-I85 PolarHBondContact O-N 2.79Å
18M98.9Very high90.7Very high1 Ų141.2 Ų41.21%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-101.3111.6-178.5-169.4179.7-69.200110.5K26 I29 V61 W62 V64 I85 V87M18-K26 HydrophobicContact CG-CB 4.07Å; M18-K26 HydrophobicContact CG-CD 4.3Å; M18-K26 HydrophobicContact CG-CG 4.12Å; M18-K26 HydrophobicContact SD-CB 3.75Å; M18-K26 HydrophobicContact SD-CG 4.34Å; M18-K26 VanDerWaalsContact SD-O 3.37Å; M18-I29 HydrophobicContact CE-CG2 3.91Å; M18-I29 HydrophobicContact SD-CG2 4.5Å; M18-V61 HydrophobicContact CB-CG1 4.01Å; M18-V61 HydrophobicContact CE-CG1 3.9Å; M18-W62 PolarHBondContact N-O 3.32Å; M18-V64 PolarHBondContact O-N 2.9Å; M18-I85 CarbonylContact C-O 3.57Å; M18-I85 VanDerWaalsContact CA-O 3.25Å; M18-I85 WeakPolarHBondContact CA-O 3.3Å; M18-I85 HydrophobicContact CB-CB 4.28Å; M18-I85 HydrophobicContact CE-CB 4.45Å; M18-I85 HydrophobicContact CE-CD1 4.05Å; M18-I85 HydrophobicContact CE-CG2 4.03Å; M18-I85 HydrophobicContact CG-CB 4.14Å; M18-I85 HydrophobicContact CG-CG2 4.04Å; M18-V87 HydrophobicContact CG-CG2 3.96Å; M18-V87 HydrophobicContact SD-CG2 4.21Å
19L98.9Very high92.8Very high0 Ų035.2 Ų35.20%019%0.194CC..EExtended strand (participates in β ladder)trans-127.1173.1-177.3-57.1179.1000111L17 K26 V64 W74 Y78 L84 I85 F86 V87 I106L17-L19 HydrophobicContact CD1-CD2 4.09Å; L17-L19 HydrophobicContact CD1-CG 4.42Å; L17-L19 HydrophobicContact CD2-CD1 3.84Å; L17-L19 HydrophobicContact CD2-CD2 4.47Å; L17-L19 HydrophobicContact CD2-CG 4.22Å; L17-L19 HydrophobicContact CG-CD1 4.06Å; L17-L19 HydrophobicContact CG-CD2 4.09Å; L17-L19 HydrophobicContact CG-CG 3.88Å; L19-K26 VanDerWaalsContact C-CD 3.43Å; L19-V64 HydrophobicContact CD2-CB 3.74Å; L19-V64 HydrophobicContact CD2-CG1 4.48Å; L19-V64 HydrophobicContact CD2-CG2 3.96Å; L19-W74 HydrophobicContact CB-CH2 4.47Å; L19-W74 HydrophobicContact CB-CZ2 4.48Å; L19-W74 HydrophobicContact CB-CZ3 4.5Å; L19-W74 HydrophobicContact CD1-CB 4.23Å; L19-W74 HydrophobicContact CD1-CD2 4.14Å; L19-W74 HydrophobicContact CD1-CE3 4.1Å; L19-W74 HydrophobicContact CD1-CG 4.27Å; L19-W74 HydrophobicContact CD2-CB 4.3Å; L19-W74 HydrophobicContact CD2-CD2 3.9Å; L19-W74 HydrophobicContact CD2-CG 3.78Å; L19-W74 HydrophobicContact CG-CD2 4.42Å; L19-Y78 HydrophobicContact CD1-CE1 3.98Å; L19-L84 HydrophobicContact CB-CD1 4.2Å; L19-L84 HydrophobicContact CD1-CD1 3.94Å; L19-L84 HydrophobicContact CG-CD1 4.11Å; L19-I85 PolarHBondContact N-O 3.19Å; L19-F86 HydrophobicContact CB-CD2 4.27Å; L19-F86 CarbonylContact O-C 3.52Å; L19-F86 WeakPolarHBondContact O-CA 2.93Å; L19-V87 PolarHBondContact O-N 2.87Å; L19-I106 HydrophobicContact CB-CD1 4.13Å; L19-I106 HydrophobicContact CD1-CD1 3.61Å; L19-I106 HydrophobicContact CD1-CG1 3.95Å; L19-I106 HydrophobicContact CD1-CG2 4.19Å
20G98.8Very high94.6Very high0 Ų026.2 Ų26.20%015%0.154CC..  trans138.4164-173.700000110.3K26 G66 W74G20-K26 PolarHBondContact O-NZ 2.72Å; G20-G66 WeakPolarHBondContact O-CA 3.42Å; G20-W74 WeakPolarHBondContact O-CZ2 3.4Å
21L98.7Very high96.2Very high12 Ų1226.2 Ų26.26%0.06314%0.138CC..  trans-60.1162.9-177.9-48.6-173.8000111.6A24 K26 R95 E98 A99 E102L21-A24 VanDerWaalsContact O-CB 3.27Å; L21-A24 WeakPolarHBondContact O-CB 3.46Å; L21-A24 PolarHBondContact O-N 3.08Å; L21-K26 PolarHBondContact O-NZ 3.13Å; L21-R95 HydrophobicContact CD1-CB 3.7Å; L21-E98 HydrophobicContact CD1-CB 4.27Å; L21-E98 HydrophobicContact CD1-CG 4.23Å; L21-E98 HydrophobicContact CD2-CG 4.17Å; L21-A99 HydrophobicContact CD1-CB 3.92Å; L21-A99 HydrophobicContact CD2-CB 4.49Å; L21-A99 HydrophobicContact CG-CB 4.06Å; L21-E102 HydrophobicContact CD2-CB 4.46Å; L21-E102 HydrophobicContact CD2-CG 3.83Å
22D97.9Very high97.3Very high47 Ų4723.6 Ų23.625%0.25113%0.125SC..THydrogen-bonded Turntrans-55.6151.1167.655.1-76.4000111.4A24 G66 Q67 R71 R95D22-A24 PolarHBondContact O-N 3.48Å; D22-G66 PolarHBondContact N-O 2.83Å; D22-Q67 HydrophobicContact CB-CG 4.17Å; D22-R71 IonicContact OD1-NH2 3.32Å; D22-R71 PolarHBondContact OD1-NH2 3.49Å; D22-R95 VanDerWaalsContact CG-NH1 3.32Å; D22-R95 PolarHBondContact O-NH2 3.49Å; D22-R95 IonicContact OD1-NH1 3.22Å; D22-R95 PolarHBondContact OD1-NH1 2.87Å; D22-R95 IonicContact OD2-CZ 3.59Å; D22-R95 IonicContact OD2-NH1 2.86Å; D22-R95 PolarHBondContact OD2-NH1 2.86Å; D22-R95 IonicContact OD2-NH2 3.52Å
23A97.1Very high97.8Very high67 Ų6722.5 Ų22.555%0.55412%0.121SC*.THydrogen-bonded Turntrans61.32-175.800000116.9G25 K123A23-G25 PolarHBondContact O-N 3.38Å; A23-K123 WeakPolarHBondContact O-CE 3.49Å; A23-K123 PolarHBondContact O-NZ 2.86Å
24A98.5Very high98Very high2 Ų221.6 Ų21.62%0.01712%0.116CC..SBendtrans-64-19.9176.800000114.7L21 D22 V87 N122L21-A24 VanDerWaalsContact O-CB 3.27Å; L21-A24 WeakPolarHBondContact O-CB 3.46Å; L21-A24 PolarHBondContact O-N 3.08Å; D22-A24 PolarHBondContact O-N 3.48Å; A24-V87 HydrophobicContact CB-CB 4.27Å; A24-V87 HydrophobicContact CB-CG1 4.05Å; A24-V87 WeakPolarHBondContact CB-O 3.26Å; A24-V87 VanDerWaalsContact O-CG1 3.3Å; A24-V87 WeakPolarHBondContact O-CG1 3.38Å; A24-N122 PolarHBondContact O-ND2 3.03Å
25G98.3Very high97.9Very high14 Ų1425.9 Ų25.914%0.14414%0.138CC..SBendtrans101.916176.400000115.6A23 T27 T28 I29A23-G25 PolarHBondContact O-N 3.38Å; G25-T27 PolarHBondContact O-N 3.03Å; G25-T28 WeakPolarHBondContact O-CB 3.19Å; G25-T28 PolarHBondContact O-N 3.13Å; G25-I29 WeakPolarHBondContact O-CG1 3.41Å; G25-I29 PolarHBondContact O-N 3.22Å
26K98.4Very high97.7Very high12 Ų1226.2 Ų26.25%0.05216%0.157CC..Hα-helixtrans-51.5-57.7-179.6-60-175.9-62.7-71.30113.3M18 L19 G20 L21 T28 I29 L30 D63 V64 V87M18-K26 HydrophobicContact CG-CB 4.07Å; M18-K26 HydrophobicContact CG-CD 4.3Å; M18-K26 HydrophobicContact CG-CG 4.12Å; M18-K26 HydrophobicContact SD-CB 3.75Å; M18-K26 HydrophobicContact SD-CG 4.34Å; M18-K26 VanDerWaalsContact SD-O 3.37Å; L19-K26 VanDerWaalsContact C-CD 3.43Å; G20-K26 PolarHBondContact O-NZ 2.72Å; L21-K26 PolarHBondContact O-NZ 3.13Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 3.12Å; K26-I29 WeakPolarHBondContact O-CB 3.34Å; K26-I29 PolarHBondContact O-N 3.27Å; K26-I29 VanDerWaalsContact O-N 3.14Å; K26-L30 PolarHBondContact O-N 2.77Å; K26-D63 VanDerWaalsContact CB-OD1 3.23Å; K26-D63 WeakPolarHBondContact CB-OD1 3.36Å; K26-V64 WeakPolarHBondContact CE-O 3.39Å; K26-V87 HydrophobicContact CB-CG2 4.5Å; K26-V87 HydrophobicContact CG-CB 3.82Å; K26-V87 HydrophobicContact CG-CG2 3.76Å
27T97.7Very high97.3Very high18 Ų1832 Ų3211%0.1118%0.184CC..Hα-helixtrans-64.1-33.9-179.7-46.70000112.3G25 L30 Y31 T41 T44 D63G25-T27 PolarHBondContact O-N 3.03Å; T27-L30 PolarHBondContact O-N 3.21Å; T27-Y31 HydrophobicContact CG2-CD2 3.71Å; T27-Y31 HydrophobicContact CG2-CE2 3.47Å; T27-Y31 VanDerWaalsContact CG2-CE2 3.47Å; T27-Y31 WeakPolarHBondContact O-CD2 3.47Å; T27-Y31 PolarHBondContact O-N 2.9Å; T27-T41 HydrophobicContact CG2-CG2 3.6Å; T27-T44 PolarHBondContact OG1-OG1 3.19Å; T27-D63 WeakPolarHBondContact CA-OD2 3.32Å; T27-D63 WeakPolarHBondContact CB-OD2 3.29Å; T27-D63 PolarHBondContact OG1-OD2 3Å
28T98Very high96.7Very high26 Ų2635 Ų3516%0.1621%0.205CC..Hα-helixtrans-65.3-44.4173.7-52.90000111.2G25 K26 L30 K32 T41 A156G25-T28 WeakPolarHBondContact O-CB 3.19Å; G25-T28 PolarHBondContact O-N 3.13Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 3.12Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.15Å; T28-K32 WeakPolarHBondContact O-CB 3.21Å; T28-K32 PolarHBondContact O-N 3.02Å; T28-T41 PolarHBondContact OG1-OG1 3.4Å; T28-A156 HydrophobicContact CG2-CB 3.78Å
29I98.7Very high96.1Very high0 Ų037.7 Ų37.70%022%0.221CC..Hα-helixtrans-58.7-47.1173.4-70.7173.3000110.2M18 G25 K26 Y31 K32 L33 V87 F120 A156 L162M18-I29 HydrophobicContact CE-CG2 3.91Å; M18-I29 HydrophobicContact SD-CG2 4.5Å; G25-I29 WeakPolarHBondContact O-CG1 3.41Å; G25-I29 PolarHBondContact O-N 3.22Å; K26-I29 WeakPolarHBondContact O-CB 3.34Å; K26-I29 PolarHBondContact O-N 3.27Å; K26-I29 VanDerWaalsContact O-N 3.14Å; I29-Y31 PolarHBondContact O-N 3.4Å; I29-K32 PolarHBondContact O-N 3.18Å; I29-L33 HydrophobicContact CG2-CD1 3.82Å; I29-L33 HydrophobicContact CG2-CG 4.44Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 WeakPolarHBondContact O-CG 3.38Å; I29-L33 PolarHBondContact O-N 3.32Å; I29-V87 HydrophobicContact CD1-CG1 3.69Å; I29-V87 HydrophobicContact CD1-CG2 3.96Å; I29-F120 HydrophobicContact CD1-CB 4.21Å; I29-F120 HydrophobicContact CD1-CD2 4.07Å; I29-F120 HydrophobicContact CD1-CG 4.25Å; I29-F120 HydrophobicContact CG2-CD2 4.48Å; I29-F120 HydrophobicContact CG2-CE2 4.24Å; I29-A156 HydrophobicContact CD1-CB 4.44Å; I29-A156 HydrophobicContact CG1-CB 3.49Å; I29-A156 VanDerWaalsContact CG1-CB 3.49Å; I29-L162 HydrophobicContact CB-CD2 4.46Å; I29-L162 HydrophobicContact CD1-CD2 4.24Å; I29-L162 HydrophobicContact CG1-CD2 3.93Å; I29-L162 HydrophobicContact CG2-CD1 4.36Å; I29-L162 HydrophobicContact CG2-CD2 3.93Å
30L98.1Very high95.6Very high0 Ų044.3 Ų44.30%026%0.262CS..Hα-helixtrans-57.8-52.6-179-176.864.1000111.5K26 T27 T28 L33 K34 E50 V52 V61 D63K26-L30 PolarHBondContact O-N 2.77Å; T27-L30 PolarHBondContact O-N 3.21Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.15Å; L30-L33 PolarHBondContact O-N 2.73Å; L30-K34 VanDerWaalsContact O-CB 3.24Å; L30-K34 WeakPolarHBondContact O-CB 3.2Å; L30-K34 PolarHBondContact O-N 2.94Å; L30-E50 HydrophobicContact CD1-CB 4Å; L30-E50 HydrophobicContact CD2-CB 4.01Å; L30-E50 HydrophobicContact CD2-CG 3.84Å; L30-E50 HydrophobicContact CG-CB 4.19Å; L30-E50 HydrophobicContact CG-CG 4.32Å; L30-V52 HydrophobicContact CD1-CG2 3.97Å; L30-V61 HydrophobicContact CD1-CB 3.78Å; L30-V61 HydrophobicContact CD1-CG1 3.83Å; L30-V61 HydrophobicContact CD1-CG2 4.26Å; L30-D63 HydrophobicContact CD2-CB 3.75Å
31Y97.2Very high95.1Very high56 Ų5647 Ų4722%0.2228%0.278CS..Hα-helixtrans-71.4-31.5-179-73.1-54.3000112.9T27 I29 K34 L35 V39 T41T27-Y31 HydrophobicContact CG2-CD2 3.71Å; T27-Y31 HydrophobicContact CG2-CE2 3.47Å; T27-Y31 VanDerWaalsContact CG2-CE2 3.47Å; T27-Y31 WeakPolarHBondContact O-CD2 3.47Å; T27-Y31 PolarHBondContact O-N 2.9Å; I29-Y31 PolarHBondContact O-N 3.4Å; Y31-K34 PolarHBondContact O-N 3.22Å; Y31-L35 HydrophobicContact CD1-CD1 3.85Å; Y31-L35 HydrophobicContact CD1-CG 4.38Å; Y31-L35 HydrophobicContact CG-CD1 4.41Å; Y31-L35 WeakPolarHBondContact O-CA 3.39Å; Y31-L35 VanDerWaalsContact O-CB 3.31Å; Y31-L35 WeakPolarHBondContact O-CB 3.34Å; Y31-L35 PolarHBondContact O-N 3Å; Y31-V39 HydrophobicContact CD2-CB 4.49Å; Y31-T41 HydrophobicContact CD2-CG2 4.42Å
32K97.7Very high94.7Very high38 Ų3853.1 Ų53.117%0.16531%0.31CS..Hα-helixtrans-61.7-46.2172.4-172.470.1177.3-163.60111.2T28 I29 G36 A156 A157 S158 L162T28-K32 WeakPolarHBondContact O-CB 3.21Å; T28-K32 PolarHBondContact O-N 3.02Å; I29-K32 PolarHBondContact O-N 3.18Å; K32-G36 WeakPolarHBondContact O-CA 3.42Å; K32-G36 PolarHBondContact O-N 3.14Å; K32-A156 WeakPolarHBondContact CG-O 3.36Å; K32-A157 PolarHBondContact NZ-O 3.37Å; K32-S158 VanDerWaalsContact CE-C 3.42Å; K32-S158 WeakPolarHBondContact CE-O 3.38Å; K32-S158 PolarHBondContact NZ-O 3.2Å; K32-L162 HydrophobicContact CB-CD1 4Å; K32-L162 HydrophobicContact CG-CD1 3.79Å
33L97.6Very high94.3Very high23 Ų2355.6 Ų55.612%0.1233%0.328CS..Hα-helixtrans-65.8-37.2176-76.6171.8000112.8I29 L30 V52 L162 L166I29-L33 HydrophobicContact CG2-CD1 3.82Å; I29-L33 HydrophobicContact CG2-CG 4.44Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 WeakPolarHBondContact O-CG 3.38Å; I29-L33 PolarHBondContact O-N 3.32Å; L30-L33 PolarHBondContact O-N 2.73Å; L33-V52 HydrophobicContact CB-CG1 3.88Å; L33-V52 HydrophobicContact CB-CG2 4.18Å; L33-L162 HydrophobicContact CD2-CB 3.75Å; L33-L162 HydrophobicContact CD2-CD1 4.44Å; L33-L162 HydrophobicContact CG-CB 4.25Å; L33-L162 HydrophobicContact CG-CD1 4.2Å; L33-L166 HydrophobicContact CD1-CD1 4.11Å; L33-L166 HydrophobicContact CD1-CD2 4.34Å; L33-L166 HydrophobicContact CD1-CG 4.36Å; L33-L166 HydrophobicContact CD2-CD1 3.66Å; L33-L166 HydrophobicContact CD2-CG 4.27Å; L33-L166 HydrophobicContact CG-CD1 4.46Å
34K96Very high93.9Very high89 Ų8953.7 Ų53.739%0.38731%0.31SS..Hα-helixtrans-79.3-42.5-175.7179.560.7170.3-179.20113.3L30 Y31 E50 T51 V52L30-K34 VanDerWaalsContact O-CB 3.24Å; L30-K34 WeakPolarHBondContact O-CB 3.2Å; L30-K34 PolarHBondContact O-N 2.94Å; Y31-K34 PolarHBondContact O-N 3.22Å; K34-E50 WeakPolarHBondContact CE-OE2 3.32Å; K34-T51 WeakPolarHBondContact CD-O 3.19Å; K34-T51 WeakPolarHBondContact CE-O 3.44Å; K34-T51 PolarHBondContact NZ-O 2.9Å; K34-V52 HydrophobicContact CB-CG2 4.34Å
35L95.2Very high93.3Very high89 Ų8960.2 Ų60.247%0.46635%0.349SS..Hα-helixtrans-113-8.9-168.6-55.4176.1000112.9Y31 Q37 V39Y31-L35 HydrophobicContact CD1-CD1 3.85Å; Y31-L35 HydrophobicContact CD1-CG 4.38Å; Y31-L35 HydrophobicContact CG-CD1 4.41Å; Y31-L35 WeakPolarHBondContact O-CA 3.39Å; Y31-L35 VanDerWaalsContact O-CB 3.31Å; Y31-L35 WeakPolarHBondContact O-CB 3.34Å; Y31-L35 PolarHBondContact O-N 3Å; L35-Q37 HydrophobicContact CB-CG 4.05Å; L35-Q37 PolarHBondContact O-N 3.3Å; L35-V39 HydrophobicContact CD1-CG2 3.9Å
36G93.5Very high93Very high56 Ų5660.8 Ų60.858%0.57736%0.355SS*.SBendtrans72.8-2.7-175.600000114.5K32K32-G36 WeakPolarHBondContact O-CA 3.42Å; K32-G36 PolarHBondContact O-N 3.14Å
37Q89.8Confident92.7Very high123 Ų12365 Ų6558%0.57537%0.373SS*.SBendtrans-131.8152.9-175.863-176.8-29.200111.9L35L35-Q37 HydrophobicContact CB-CG 4.05Å; L35-Q37 PolarHBondContact O-N 3.3Å
38S85.2Confident92.5Very high62 Ų6266.2 Ų66.243%0.43438%0.379SS..  trans-76.1128.6175.4-59.40000109.5A157S38-A157 PolarHBondContact OG-O 2.93Å
39V87.5Confident92.4Very high58 Ų5867.6 Ų67.635%0.35239%0.387SS..  trans-111.1139173.8-178.40000107.7Y31 L35 T41Y31-V39 HydrophobicContact CD2-CB 4.49Å; L35-V39 HydrophobicContact CD1-CG2 3.9Å; V39-T41 PolarHBondContact O-N 3.2Å
40T86.5Confident92.3Very high139 Ų13969.9 Ų69.985%0.85340%0.398SS*.  trans-62.9123.9171.9-59.40000109.2
41T89.5Confident92.3Very high56 Ų5672.1 Ų72.134%0.34441%0.412SS..  trans-106.8144.1-17956.60000110.4T27 T28 Y31 V39T27-T41 HydrophobicContact CG2-CG2 3.6Å; T28-T41 PolarHBondContact OG1-OG1 3.4Å; Y31-T41 HydrophobicContact CD2-CG2 4.42Å; V39-T41 PolarHBondContact O-N 3.2Å
42I89.4Confident92.3Very high141 Ų14169.7 Ų69.772%0.72340%0.403SS*.  trans-105160.4166.361.3171000108.4T44I42-T44 PolarHBondContact O-N 2.92Å
43P91.1Very high92.1Very high99 Ų9971.9 Ų71.964%0.64342%0.419SS*.  trans-51.6118.7176.3-27.235.2000111.6V45 Q67P43-V45 PolarHBondContact O-N 3.12Å; P43-Q67 VanDerWaalsContact CB-NE2 3.35Å
44T88.8Confident91.9Very high27 Ų2771.8 Ų71.817%0.16642%0.418CS..  trans-64126.6-178.3-48.20000110.2T27 I42 Q67T27-T44 PolarHBondContact OG1-OG1 3.19Å; I42-T44 PolarHBondContact O-N 2.92Å; T44-Q67 PolarHBondContact O-NE2 3.32Å; T44-Q67 PolarHBondContact O-OE1 2.96Å
45V85.6Confident91.7Very high139 Ų13974.5 Ų74.584%0.84243%0.43SS*.  trans-94.5114.5172.8-179.50000107.9P43 F47P43-V45 PolarHBondContact O-N 3.12Å; V45-F47 PolarHBondContact O-N 2.95Å
46G90.5Very high91.4Very high26 Ų2675.4 Ų75.427%0.26844%0.435SS..SBendtrans76.5-114.8-177.300000112.1G65G46-G65 PolarHBondContact O-N 2.86Å
47F92.9Very high91.4Very high100 Ų10073 Ų7344%0.43941%0.409SS..EExtended strand (participates in β ladder)trans-145.8158.9-175.874.6-83.2000112.8V45 V49 W62 D63 V64 Y77V45-F47 PolarHBondContact O-N 2.95Å; F47-V49 HydrophobicContact CD2-CG2 3.71Å; F47-V49 HydrophobicContact CE2-CG2 3.7Å; F47-W62 AromaticContact CD2-CE3 3.71Å; F47-W62 HydrophobicContact CD2-CE3 3.71Å; F47-W62 AromaticContact CD2-CZ3 3.69Å; F47-W62 HydrophobicContact CD2-CZ3 3.69Å; F47-W62 AromaticContact CE2-CE3 3.93Å; F47-W62 HydrophobicContact CE2-CE3 3.93Å; F47-W62 HydrophobicContact CE2-CH2 4.27Å; F47-W62 AromaticContact CE2-CZ3 3.41Å; F47-W62 HydrophobicContact CE2-CZ3 3.41Å; F47-W62 VanDerWaalsContact CE2-CZ3 3.41Å; F47-W62 HydrophobicContact CG-CE3 4.49Å; F47-W62 HydrophobicContact CZ-CZ3 4.07Å; F47-D63 CarbonylContact C-O 3.57Å; F47-D63 WeakPolarHBondContact CA-O 3.41Å; F47-V64 HydrophobicContact CB-CG2 4.14Å; F47-Y77 HydrophobicContact CB-CE1 4.28Å; F47-Y77 AromaticContact CD1-CE1 3.76Å; F47-Y77 HydrophobicContact CD1-CE1 3.76Å; F47-Y77 AromaticContact CD1-CZ 3.79Å; F47-Y77 WeakPolarHBondContact CD1-OH 3.31Å; F47-Y77 HydrophobicContact CD2-CE1 4.45Å; F47-Y77 HydrophobicContact CE1-CE1 4.18Å; F47-Y77 AromaticContact CG-CE1 3.91Å; F47-Y77 HydrophobicContact CG-CE1 3.91Å
48N92.8Very high91.7Very high43 Ų4370.3 Ų70.323%0.2340%0.395CS..EExtended strand (participates in β ladder)trans-127.5149169.6-177.643.6000109.5E50 D63N48-E50 WeakPolarHBondContact ND2-CG 3.31Å; N48-D63 PolarHBondContact N-O 2.78Å; N48-D63 PolarHBondContact O-N 3.24Å
49V96.2Very high92.3Very high55 Ų5567.4 Ų67.433%0.33338%0.375SS..EExtended strand (participates in β ladder)trans-127.5123.6175.9-173.30000109.7F47 V61 W62F47-V49 HydrophobicContact CD2-CG2 3.71Å; F47-V49 HydrophobicContact CE2-CG2 3.7Å; V49-V61 WeakPolarHBondContact CA-O 3.26Å; V49-W62 HydrophobicContact CG2-CD2 3.56Å; V49-W62 HydrophobicContact CG2-CE3 3.49Å; V49-W62 VanDerWaalsContact CG2-CE3 3.49Å; V49-W62 HydrophobicContact CG2-CG 4.17Å; V49-W62 HydrophobicContact CG2-CH2 4Å; V49-W62 HydrophobicContact CG2-CZ2 4.07Å; V49-W62 HydrophobicContact CG2-CZ3 3.72Å
50E97.4Very high92.8Very high49 Ų4966.5 Ų66.523%0.22937%0.368CS..EExtended strand (participates in β ladder)trans-133143.6178-70.9-70.4171.800110.7L30 K34 N48 V61L30-E50 HydrophobicContact CD1-CB 4Å; L30-E50 HydrophobicContact CD2-CB 4.01Å; L30-E50 HydrophobicContact CD2-CG 3.84Å; L30-E50 HydrophobicContact CG-CB 4.19Å; L30-E50 HydrophobicContact CG-CG 4.32Å; K34-E50 WeakPolarHBondContact CE-OE2 3.32Å; N48-E50 WeakPolarHBondContact ND2-CG 3.31Å; E50-V61 PolarHBondContact N-O 2.88Å; E50-V61 VanDerWaalsContact N-O 3.08Å; E50-V61 PolarHBondContact O-N 3.25Å
51T97.4Very high93.3Very high47 Ų4760.1 Ų60.129%0.28833%0.329SS..EExtended strand (participates in β ladder)trans-91.2116170.3-55.70000109.9K34 K58 F59 N60K34-T51 WeakPolarHBondContact CD-O 3.19Å; K34-T51 WeakPolarHBondContact CE-O 3.44Å; K34-T51 PolarHBondContact NZ-O 2.9Å; T51-K58 HydrophobicContact CG2-CB 3.92Å; T51-K58 HydrophobicContact CG2-CD 4.3Å; T51-K58 HydrophobicContact CG2-CG 4.22Å; T51-F59 CarbonylContact C-O 3.52Å; T51-F59 VanDerWaalsContact CA-O 3.26Å; T51-F59 WeakPolarHBondContact CA-O 3.5Å; T51-N60 PolarHBondContact OG1-OD1 3.09Å
52V96.8Very high93.8Very high4 Ų460.4 Ų60.42%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-101.3125.7172.5173.80000109.1L30 L33 K34 F59 V61 L166L30-V52 HydrophobicContact CD1-CG2 3.97Å; L33-V52 HydrophobicContact CB-CG1 3.88Å; L33-V52 HydrophobicContact CB-CG2 4.18Å; K34-V52 HydrophobicContact CB-CG2 4.34Å; V52-F59 HydrophobicContact CB-CB 4.36Å; V52-F59 PolarHBondContact N-O 3.13Å; V52-F59 PolarHBondContact O-N 3.01Å; V52-V61 HydrophobicContact CB-CG2 4.49Å; V52-V61 HydrophobicContact CG2-CG2 4.29Å; V52-L166 HydrophobicContact CG1-CD1 4.09Å
53T94.6Very high94.2Very high84 Ų8453.7 Ų53.752%0.51529%0.289SS..EExtended strand (participates in β ladder)trans-97.6124.1176.4-56.30000109.8V57T53-V57 WeakPolarHBondContact CA-O 3.27Å
54Y93.8Very high94.5Very high22 Ų2249 Ų499%0.08626%0.259CS..EExtended strand (participates in β ladder)trans-126.3115169.9175.9-100.9000109.2N56 V57 H163 L166 M167 T170Y54-N56 PolarHBondContact O-N 2.85Å; Y54-V57 PolarHBondContact N-O 2.77Å; Y54-V57 PolarHBondContact O-N 3.45Å; Y54-H163 AromaticContact CD2-ND1 3.49Å; Y54-H163 WeakPolarHBondContact CD2-ND1 3.04Å; Y54-H163 HydrophobicContact CE2-CB 4.04Å; Y54-H163 AromaticContact CE2-ND1 3.61Å; Y54-L166 HydrophobicContact CD1-CB 4.17Å; Y54-L166 HydrophobicContact CD2-CB 4.41Å; Y54-L166 HydrophobicContact CD2-CD1 4.4Å; Y54-L166 HydrophobicContact CG-CB 4.07Å; Y54-L166 HydrophobicContact CG-CD1 4.2Å; Y54-M167 HydrophobicContact CE1-CB 4.21Å; Y54-M167 WeakPolarHBondContact OH-CE 3.24Å; Y54-T170 HydrophobicContact CD1-CG2 3.95Å; Y54-T170 HydrophobicContact CE1-CG2 4.39Å
55K91.2Very high94.9Very high146 Ų14647.8 Ų47.864%0.63525%0.252SS*.THydrogen-bonded Turntrans52.3-122.4-170.9-59.7178.6176.3175.20110.6
56N88.8Confident95.4Very high107 Ų10741.2 Ų41.257%0.57221%0.212SC*.THydrogen-bonded Turntrans-93.610.3178.964.8-30.3000113.7H11 K12 Y54H11-N56 WeakPolarHBondContact CA-O 3.44Å; H11-N56 PolarHBondContact ND1-O 3.29Å; H11-N56 VanDerWaalsContact ND1-O 3.08Å; K12-N56 PolarHBondContact N-O 3.37Å; Y54-N56 PolarHBondContact O-N 2.85Å
57V93.5Very high95.7Very high6 Ų642.4 Ų42.44%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-110.8132.6-178.3-173.20000110.6K12 L14 T53 Y54 F59 T170K12-V57 HydrophobicContact CB-CG1 4.46Å; K12-V57 HydrophobicContact CB-CG2 4.25Å; K12-V57 HydrophobicContact CD-CG2 4.48Å; K12-V57 HydrophobicContact CG-CG1 4.42Å; K12-V57 CarbonylContact O-C 3.56Å; K12-V57 VanDerWaalsContact O-CA 3.29Å; K12-V57 WeakPolarHBondContact O-CA 3.27Å; K12-V57 WeakPolarHBondContact O-CG1 3.34Å; L14-V57 HydrophobicContact CB-CG1 4.5Å; L14-V57 HydrophobicContact CD1-CG1 3.76Å; L14-V57 HydrophobicContact CG-CG1 3.98Å; T53-V57 WeakPolarHBondContact CA-O 3.27Å; Y54-V57 PolarHBondContact N-O 2.77Å; Y54-V57 PolarHBondContact O-N 3.45Å; V57-F59 HydrophobicContact CB-CE2 4.07Å; V57-F59 HydrophobicContact CG1-CD2 4.13Å; V57-F59 HydrophobicContact CG1-CE2 3.72Å; V57-F59 HydrophobicContact CG1-CZ 4.03Å; V57-T170 HydrophobicContact CB-CG2 3.99Å; V57-T170 HydrophobicContact CG1-CG2 4.2Å; V57-T170 HydrophobicContact CG2-CG2 3.69Å
58K96Very high95.8Very high66 Ų6642.7 Ų42.729%0.28722%0.217SC..EExtended strand (participates in β ladder)trans-102.8118.9171.3-68.9-179.6-179.4-1800109.5H11 K12 E13 L14 T51H11-K58 HydrophobicContact CB-CD 4.15Å; H11-K58 HydrophobicContact CB-CG 4.11Å; K12-K58 PolarHBondContact O-N 3.49Å; E13-K58 CarbonylContact C-O 3.55Å; E13-K58 WeakPolarHBondContact CA-O 3.38Å; E13-K58 HydrophobicContact CG-CB 4.3Å; L14-K58 PolarHBondContact N-O 2.89Å; T51-K58 HydrophobicContact CG2-CB 3.92Å; T51-K58 HydrophobicContact CG2-CD 4.3Å; T51-K58 HydrophobicContact CG2-CG 4.22Å
59F97.4Very high95.9Very high1 Ų149.9 Ų49.90%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-93.7114.6173.2-67.6-94.5000109L14 A16 T51 V52 V57 V61 L166 L169 T170L14-F59 HydrophobicContact CB-CD1 4.02Å; L14-F59 HydrophobicContact CB-CE1 4.22Å; L14-F59 HydrophobicContact CD1-CD1 4.32Å; L14-F59 HydrophobicContact CD1-CE1 3.68Å; L14-F59 HydrophobicContact CD1-CZ 4.02Å; L14-F59 CarbonylContact O-C 3.53Å; L14-F59 WeakPolarHBondContact O-CA 3.27Å; A16-F59 HydrophobicContact CB-CD1 4.49Å; T51-F59 CarbonylContact C-O 3.52Å; T51-F59 VanDerWaalsContact CA-O 3.26Å; T51-F59 WeakPolarHBondContact CA-O 3.5Å; V52-F59 HydrophobicContact CB-CB 4.36Å; V52-F59 PolarHBondContact N-O 3.13Å; V52-F59 PolarHBondContact O-N 3.01Å; V57-F59 HydrophobicContact CB-CE2 4.07Å; V57-F59 HydrophobicContact CG1-CD2 4.13Å; V57-F59 HydrophobicContact CG1-CE2 3.72Å; V57-F59 HydrophobicContact CG1-CZ 4.03Å; F59-V61 HydrophobicContact CB-CG2 3.79Å; F59-V61 PolarHBondContact O-N 3.06Å; F59-L166 HydrophobicContact CE1-CD2 4.43Å; F59-L166 HydrophobicContact CE2-CB 4.46Å; F59-L166 HydrophobicContact CE2-CD2 4.38Å; F59-L166 HydrophobicContact CZ-CB 4.48Å; F59-L166 HydrophobicContact CZ-CD2 4.31Å; F59-L169 HydrophobicContact CE1-CB 3.88Å; F59-L169 HydrophobicContact CE1-CD1 3.98Å; F59-L169 HydrophobicContact CZ-CB 4.15Å; F59-T170 HydrophobicContact CE2-CG2 3.91Å; F59-T170 HydrophobicContact CZ-CG2 3.58Å
60N97.8Very high95.8Very high40 Ų4049 Ų4921%0.21424%0.239CC..EExtended strand (participates in β ladder)trans-85.294.7167.9-66.1-42.4000107.3L14 A16 T51L14-N60 PolarHBondContact O-N 3.44Å; A16-N60 PolarHBondContact N-O 2.82Å; T51-N60 PolarHBondContact OG1-OD1 3.09Å
61V98.6Very high95.8Very high4 Ų447.1 Ų47.12%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-94120.7-171.8-173.10000109.7A16 M18 L30 V49 E50 V52 F59A16-V61 HydrophobicContact CB-CG2 4.36Å; A16-V61 WeakPolarHBondContact O-CA 3.48Å; M18-V61 HydrophobicContact CB-CG1 4.01Å; M18-V61 HydrophobicContact CE-CG1 3.9Å; L30-V61 HydrophobicContact CD1-CB 3.78Å; L30-V61 HydrophobicContact CD1-CG1 3.83Å; L30-V61 HydrophobicContact CD1-CG2 4.26Å; V49-V61 WeakPolarHBondContact CA-O 3.26Å; E50-V61 PolarHBondContact N-O 2.88Å; E50-V61 VanDerWaalsContact N-O 3.08Å; E50-V61 PolarHBondContact O-N 3.25Å; V52-V61 HydrophobicContact CB-CG2 4.49Å; V52-V61 HydrophobicContact CG2-CG2 4.29Å; F59-V61 HydrophobicContact CB-CG2 3.79Å; F59-V61 PolarHBondContact O-N 3.06Å
62W98.5Very high95.8Very high62 Ų6248 Ų4824%0.23524%0.236CC..EExtended strand (participates in β ladder)trans-93102.3171.3-67.771.3000108.5A16 L17 M18 F47 V49 Y77A16-W62 PolarHBondContact O-N 3.08Å; L17-W62 HydrophobicContact CD1-CB 3.68Å; M18-W62 PolarHBondContact N-O 3.32Å; F47-W62 AromaticContact CD2-CE3 3.71Å; F47-W62 HydrophobicContact CD2-CE3 3.71Å; F47-W62 AromaticContact CD2-CZ3 3.69Å; F47-W62 HydrophobicContact CD2-CZ3 3.69Å; F47-W62 AromaticContact CE2-CE3 3.93Å; F47-W62 HydrophobicContact CE2-CE3 3.93Å; F47-W62 HydrophobicContact CE2-CH2 4.27Å; F47-W62 AromaticContact CE2-CZ3 3.41Å; F47-W62 HydrophobicContact CE2-CZ3 3.41Å; F47-W62 VanDerWaalsContact CE2-CZ3 3.41Å; F47-W62 HydrophobicContact CG-CE3 4.49Å; F47-W62 HydrophobicContact CZ-CZ3 4.07Å; V49-W62 HydrophobicContact CG2-CD2 3.56Å; V49-W62 HydrophobicContact CG2-CE3 3.49Å; V49-W62 VanDerWaalsContact CG2-CE3 3.49Å; V49-W62 HydrophobicContact CG2-CG 4.17Å; V49-W62 HydrophobicContact CG2-CH2 4Å; V49-W62 HydrophobicContact CG2-CZ2 4.07Å; V49-W62 HydrophobicContact CG2-CZ3 3.72Å; W62-Y77 AromaticContact CE3-CD1 3.73Å; W62-Y77 HydrophobicContact CE3-CD1 3.73Å; W62-Y77 HydrophobicContact CE3-CE1 4.21Å; W62-Y77 AromaticContact CZ3-CD1 3.92Å; W62-Y77 HydrophobicContact CZ3-CD1 3.92Å; W62-Y77 HydrophobicContact CZ3-CE1 4.16Å
63D98Very high95.7Very high0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-88.7119.2172.7173.540.7000109.2K26 T27 L30 F47 N48K26-D63 VanDerWaalsContact CB-OD1 3.23Å; K26-D63 WeakPolarHBondContact CB-OD1 3.36Å; T27-D63 WeakPolarHBondContact CA-OD2 3.32Å; T27-D63 WeakPolarHBondContact CB-OD2 3.29Å; T27-D63 PolarHBondContact OG1-OD2 3Å; L30-D63 HydrophobicContact CD2-CB 3.75Å; F47-D63 CarbonylContact C-O 3.57Å; F47-D63 WeakPolarHBondContact CA-O 3.41Å; N48-D63 PolarHBondContact N-O 2.78Å; N48-D63 PolarHBondContact O-N 3.24Å
64V97.8Very high95.9Very high2 Ų247.6 Ų47.61%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-117.5136.9-175.6-170.10000109.1L17 M18 L19 K26 F47 Y77L17-V64 HydrophobicContact CD1-CG2 3.78Å; M18-V64 PolarHBondContact O-N 2.9Å; L19-V64 HydrophobicContact CD2-CB 3.74Å; L19-V64 HydrophobicContact CD2-CG1 4.48Å; L19-V64 HydrophobicContact CD2-CG2 3.96Å; K26-V64 WeakPolarHBondContact CE-O 3.39Å; F47-V64 HydrophobicContact CB-CG2 4.14Å; V64-Y77 HydrophobicContact CG1-CD2 4.09Å; V64-Y77 HydrophobicContact CG1-CE2 3.72Å; V64-Y77 HydrophobicContact CG2-CD2 3.8Å; V64-Y77 HydrophobicContact CG2-CE2 4.06Å; V64-Y77 HydrophobicContact CG2-CG 4.21Å
65G96.6Very high96.1Very high1 Ų152.6 Ų52.61%0.0125%0.249CC..  trans-59.2150178.500000112G46 I70 W74G46-G65 PolarHBondContact O-N 2.86Å; G65-I70 VanDerWaalsContact C-CD1 3.43Å; G65-I70 WeakPolarHBondContact O-CD1 3.46Å; G65-W74 PolarHBondContact O-NE1 3.01Å
66G97.1Very high96.4Very high1 Ų151.3 Ų51.31%0.0125%0.245CC..  trans-11410.9-171.400000115.3G20 D22 R71G20-G66 WeakPolarHBondContact O-CA 3.42Å; D22-G66 PolarHBondContact N-O 2.83Å; G66-R71 PolarHBondContact O-NE 3.31Å; G66-R71 PolarHBondContact O-NH2 2.78Å
67Q96.4Very high96.8Very high51 Ų5147.9 Ų47.924%0.23822%0.224CC..  trans-68.9141.3178.6-49.781.42.700109.2D22 P43 T44 K69 I70 R71D22-Q67 HydrophobicContact CB-CG 4.17Å; P43-Q67 VanDerWaalsContact CB-NE2 3.35Å; T44-Q67 PolarHBondContact O-NE2 3.32Å; T44-Q67 PolarHBondContact O-OE1 2.96Å; Q67-K69 VanDerWaalsContact C-N 3.28Å; Q67-K69 PolarHBondContact O-N 3.21Å; Q67-K69 VanDerWaalsContact O-N 3.11Å; Q67-I70 HydrophobicContact CB-CG1 4.39Å; Q67-I70 VanDerWaalsContact O-CG1 3.24Å; Q67-I70 WeakPolarHBondContact O-CG1 3.27Å; Q67-I70 PolarHBondContact O-N 2.86Å; Q67-R71 WeakPolarHBondContact O-CG 3.48Å; Q67-R71 PolarHBondContact O-N 3.26Å
68D95.9Very high97Very high106 Ų10648.1 Ų48.157%0.56723%0.225SC*.G310 helixtrans-42.5-51.6-175.4177.944.3000113.5I70 R71 P72D68-I70 PolarHBondContact O-N 2.97Å; D68-R71 PolarHBondContact O-N 2.86Å; D68-P72 WeakPolarHBondContact O-CD 3.41Å
69K95.1Very high97.1Very high193 Ų19349.2 Ų49.284%0.83924%0.237SC*.G310 helixtrans-58.4-22.2-178.2-66.5-175.7179179.40115.4Q67Q67-K69 VanDerWaalsContact C-N 3.28Å; Q67-K69 PolarHBondContact O-N 3.21Å; Q67-K69 VanDerWaalsContact O-N 3.11Å
70I93.9Very high97Very high36 Ų3651.7 Ų51.719%0.18526%0.263CS..G310 helixtrans-110-10.3-176.769.3159.1000114.1G65 Q67 D68 P72 L73G65-I70 VanDerWaalsContact C-CD1 3.43Å; G65-I70 WeakPolarHBondContact O-CD1 3.46Å; Q67-I70 HydrophobicContact CB-CG1 4.39Å; Q67-I70 VanDerWaalsContact O-CG1 3.24Å; Q67-I70 WeakPolarHBondContact O-CG1 3.27Å; Q67-I70 PolarHBondContact O-N 2.86Å; D68-I70 PolarHBondContact O-N 2.97Å; I70-P72 VanDerWaalsContact C-N 3.28Å; I70-L73 HydrophobicContact CB-CD1 4.36Å; I70-L73 VanDerWaalsContact O-CB 3.24Å; I70-L73 WeakPolarHBondContact O-CB 3.4Å; I70-L73 PolarHBondContact O-N 2.96Å
71R97.4Very high97Very high10 Ų1050.2 Ų50.24%0.03826%0.255CS..G310 helixtrans-57.6-32.3176.6-54.9-169.9-163.7139.74.4114D22 G66 Q67 D68 L73 W74 E98 E102D22-R71 IonicContact OD1-NH2 3.32Å; D22-R71 PolarHBondContact OD1-NH2 3.49Å; G66-R71 PolarHBondContact O-NE 3.31Å; G66-R71 PolarHBondContact O-NH2 2.78Å; Q67-R71 WeakPolarHBondContact O-CG 3.48Å; Q67-R71 PolarHBondContact O-N 3.26Å; D68-R71 PolarHBondContact O-N 2.86Å; R71-L73 PolarHBondContact O-N 3.36Å; R71-L73 VanDerWaalsContact O-N 3.08Å; R71-W74 HydrophobicContact CB-CD2 4.05Å; R71-W74 HydrophobicContact CB-CE3 4.22Å; R71-W74 HydrophobicContact CB-CH2 4.36Å; R71-W74 HydrophobicContact CB-CZ2 4.19Å; R71-W74 HydrophobicContact CB-CZ3 4.35Å; R71-W74 HydrophobicContact CG-CD2 4.41Å; R71-W74 HydrophobicContact CG-CH2 3.94Å; R71-W74 HydrophobicContact CG-CZ2 3.65Å; R71-W74 HydrophobicContact CG-CZ3 4.41Å; R71-W74 VanDerWaalsContact O-CB 3.27Å; R71-W74 WeakPolarHBondContact O-CB 3.3Å; R71-W74 VanDerWaalsContact O-CG 3.23Å; R71-W74 PolarHBondContact O-N 3.49Å; R71-E98 IonicContact CZ-OE1 3.14Å; R71-E98 IonicContact NH1-OE1 2.61Å; R71-E98 PolarHBondContact NH1-OE1 3.41Å; R71-E98 IonicContact NH2-OE1 2.79Å; R71-E98 PolarHBondContact NH2-OE1 2.63Å; R71-E102 IonicContact NH1-OE1 3.69Å
72P95.9Very high97Very high66 Ų6653 Ų5343%0.42927%0.268SS..G310 helixtrans-55.9-25.2170.9-28.837.3000114D68 I70 W74 R75D68-P72 WeakPolarHBondContact O-CD 3.41Å; I70-P72 VanDerWaalsContact C-N 3.28Å; P72-W74 VanDerWaalsContact C-N 3.33Å; P72-R75 PolarHBondContact O-NE 2.83Å; P72-R75 PolarHBondContact O-NH1 2.85Å; P72-R75 VanDerWaalsContact O-NH1 3.12Å; P72-R75 PolarHBondContact O-NH2 2.81Å
73L95.8Very high97Very high79 Ų7950.1 Ų50.141%0.41426%0.257SS..G310 helixtrans-79.4-12.8179.1-55.2177.9000113.2I70 R71 R75 H76 Y77I70-L73 HydrophobicContact CB-CD1 4.36Å; I70-L73 VanDerWaalsContact O-CB 3.24Å; I70-L73 WeakPolarHBondContact O-CB 3.4Å; I70-L73 PolarHBondContact O-N 2.96Å; R71-L73 PolarHBondContact O-N 3.36Å; R71-L73 VanDerWaalsContact O-N 3.08Å; L73-R75 PolarHBondContact O-N 3.23Å; L73-R75 VanDerWaalsContact O-N 3.13Å; L73-H76 WeakPolarHBondContact O-CB 3.4Å; L73-H76 PolarHBondContact O-CD2 3.47Å; L73-H76 PolarHBondContact O-N 3.39Å; L73-Y77 WeakPolarHBondContact O-CE2 3.47Å
74W98.3Very high97Very high0 Ų050.1 Ų50.10%026%0.257CS..G310 helixtrans-54.8-34.8-179.5-70.4-6.9000113L19 G20 G65 R71 P72 H76 Y77 Y78 E102 I106L19-W74 HydrophobicContact CB-CH2 4.47Å; L19-W74 HydrophobicContact CB-CZ2 4.48Å; L19-W74 HydrophobicContact CB-CZ3 4.5Å; L19-W74 HydrophobicContact CD1-CB 4.23Å; L19-W74 HydrophobicContact CD1-CD2 4.14Å; L19-W74 HydrophobicContact CD1-CE3 4.1Å; L19-W74 HydrophobicContact CD1-CG 4.27Å; L19-W74 HydrophobicContact CD2-CB 4.3Å; L19-W74 HydrophobicContact CD2-CD2 3.9Å; L19-W74 HydrophobicContact CD2-CG 3.78Å; L19-W74 HydrophobicContact CG-CD2 4.42Å; G20-W74 WeakPolarHBondContact O-CZ2 3.4Å; G65-W74 PolarHBondContact O-NE1 3.01Å; R71-W74 HydrophobicContact CB-CD2 4.05Å; R71-W74 HydrophobicContact CB-CE3 4.22Å; R71-W74 HydrophobicContact CB-CH2 4.36Å; R71-W74 HydrophobicContact CB-CZ2 4.19Å; R71-W74 HydrophobicContact CB-CZ3 4.35Å; R71-W74 HydrophobicContact CG-CD2 4.41Å; R71-W74 HydrophobicContact CG-CH2 3.94Å; R71-W74 HydrophobicContact CG-CZ2 3.65Å; R71-W74 HydrophobicContact CG-CZ3 4.41Å; R71-W74 VanDerWaalsContact O-CB 3.27Å; R71-W74 WeakPolarHBondContact O-CB 3.3Å; R71-W74 VanDerWaalsContact O-CG 3.23Å; R71-W74 PolarHBondContact O-N 3.49Å; P72-W74 VanDerWaalsContact C-N 3.33Å; W74-H76 PolarHBondContact O-N 3.22Å; W74-H76 VanDerWaalsContact O-N 3.13Å; W74-Y77 WeakPolarHBondContact O-CD2 3.11Å; W74-Y77 PolarHBondContact O-N 2.93Å; W74-Y78 HydrophobicContact CB-CE1 4.06Å; W74-Y78 VanDerWaalsContact O-CD1 3.3Å; W74-Y78 WeakPolarHBondContact O-CD1 3.33Å; W74-Y78 WeakPolarHBondContact O-CE1 3.49Å; W74-E102 HydrophobicContact CH2-CB 4.38Å; W74-E102 HydrophobicContact CH2-CG 4.32Å; W74-E102 HydrophobicContact CZ3-CB 3.92Å; W74-E102 HydrophobicContact CZ3-CG 4.1Å; W74-I106 HydrophobicContact CE3-CD1 3.76Å; W74-I106 HydrophobicContact CE3-CG1 4Å; W74-I106 HydrophobicContact CZ3-CD1 3.65Å; W74-I106 HydrophobicContact CZ3-CG1 4.29Å
75R98Very high97.1Very high128 Ų12850 Ų5048%0.48326%0.257SS..G310 helixtrans-58.8-25.9179.576179.684.696.6-5.9113.8P72 L73 Y77 Y78P72-R75 PolarHBondContact O-NE 2.83Å; P72-R75 PolarHBondContact O-NH1 2.85Å; P72-R75 VanDerWaalsContact O-NH1 3.12Å; P72-R75 PolarHBondContact O-NH2 2.81Å; L73-R75 PolarHBondContact O-N 3.23Å; L73-R75 VanDerWaalsContact O-N 3.13Å; R75-Y77 PolarHBondContact O-N 3.04Å; R75-Y78 VanDerWaalsContact CA-CE2 3.5Å; R75-Y78 HydrophobicContact CB-CD2 4.01Å; R75-Y78 HydrophobicContact CB-CE2 3.73Å; R75-Y78 PolarHBondContact O-N 3.42Å
76H96.9Very high97.2Very high119 Ų11950 Ų5055%0.55126%0.256SS*.G310 helixtrans-69.8-10178.6-60.7-50000113.3L73 W74L73-H76 WeakPolarHBondContact O-CB 3.4Å; L73-H76 PolarHBondContact O-CD2 3.47Å; L73-H76 PolarHBondContact O-N 3.39Å; W74-H76 PolarHBondContact O-N 3.22Å; W74-H76 VanDerWaalsContact O-N 3.13Å
77Y97.6Very high97.3Very high35 Ų3550 Ų5014%0.13726%0.256CS..G310 helixtrans-109.1-1179.3-48.4-73.9000113.2R15 L17 F47 W62 V64 L73 W74 R75 T81R15-Y77 PolarHBondContact NH1-O 2.93Å; R15-Y77 VanDerWaalsContact NH1-O 3.15Å; R15-Y77 PolarHBondContact NH2-O 3.38Å; L17-Y77 HydrophobicContact CD1-CG 4.43Å; F47-Y77 HydrophobicContact CB-CE1 4.28Å; F47-Y77 AromaticContact CD1-CE1 3.76Å; F47-Y77 HydrophobicContact CD1-CE1 3.76Å; F47-Y77 AromaticContact CD1-CZ 3.79Å; F47-Y77 WeakPolarHBondContact CD1-OH 3.31Å; F47-Y77 HydrophobicContact CD2-CE1 4.45Å; F47-Y77 HydrophobicContact CE1-CE1 4.18Å; F47-Y77 AromaticContact CG-CE1 3.91Å; F47-Y77 HydrophobicContact CG-CE1 3.91Å; W62-Y77 AromaticContact CE3-CD1 3.73Å; W62-Y77 HydrophobicContact CE3-CD1 3.73Å; W62-Y77 HydrophobicContact CE3-CE1 4.21Å; W62-Y77 AromaticContact CZ3-CD1 3.92Å; W62-Y77 HydrophobicContact CZ3-CD1 3.92Å; W62-Y77 HydrophobicContact CZ3-CE1 4.16Å; V64-Y77 HydrophobicContact CG1-CD2 4.09Å; V64-Y77 HydrophobicContact CG1-CE2 3.72Å; V64-Y77 HydrophobicContact CG2-CD2 3.8Å; V64-Y77 HydrophobicContact CG2-CE2 4.06Å; V64-Y77 HydrophobicContact CG2-CG 4.21Å; L73-Y77 WeakPolarHBondContact O-CE2 3.47Å; W74-Y77 WeakPolarHBondContact O-CD2 3.11Å; W74-Y77 PolarHBondContact O-N 2.93Å; R75-Y77 PolarHBondContact O-N 3.04Å; Y77-T81 PolarHBondContact O-OG1 2.96Å
78Y98.5Very high97.4Very high10 Ų1047.8 Ų47.84%0.03925%0.246CC..  trans-67.3-45.7-175-65.7-9.9000112.6L17 L19 W74 R75 G80 T81 I106 D109 M112L17-Y78 HydrophobicContact CD2-CD1 3.62Å; L17-Y78 HydrophobicContact CD2-CE1 4.08Å; L19-Y78 HydrophobicContact CD1-CE1 3.98Å; W74-Y78 HydrophobicContact CB-CE1 4.06Å; W74-Y78 VanDerWaalsContact O-CD1 3.3Å; W74-Y78 WeakPolarHBondContact O-CD1 3.33Å; W74-Y78 WeakPolarHBondContact O-CE1 3.49Å; R75-Y78 VanDerWaalsContact CA-CE2 3.5Å; R75-Y78 HydrophobicContact CB-CD2 4.01Å; R75-Y78 HydrophobicContact CB-CE2 3.73Å; R75-Y78 PolarHBondContact O-N 3.42Å; Y78-G80 PolarHBondContact O-N 3.08Å; Y78-G80 VanDerWaalsContact O-N 3.13Å; Y78-T81 WeakPolarHBondContact O-CB 3.22Å; Y78-T81 PolarHBondContact O-N 3.44Å; Y78-T81 PolarHBondContact O-OG1 3.26Å; Y78-I106 HydrophobicContact CE1-CG1 4.45Å; Y78-I106 HydrophobicContact CE1-CG2 4.02Å; Y78-I106 WeakPolarHBondContact OH-CG1 3.31Å; Y78-D109 HydrophobicContact CD2-CB 3.73Å; Y78-D109 VanDerWaalsContact CD2-CG 3.5Å; Y78-D109 HydrophobicContact CE2-CB 3.7Å; Y78-M112 HydrophobicContact CD1-CG 3.97Å; Y78-M112 HydrophobicContact CD1-SD 3.77Å; Y78-M112 HydrophobicContact CD2-CG 3.81Å; Y78-M112 HydrophobicContact CE1-CG 4.47Å; Y78-M112 HydrophobicContact CE2-CG 4.32Å; Y78-M112 HydrophobicContact CG-CG 3.63Å; Y78-M112 HydrophobicContact CG-SD 3.79Å
79T97.4Very high97.5Very high90 Ų9043.7 Ų43.755%0.55222%0.224SC*.THydrogen-bonded Turntrans-48.2116.8-175.5-44.90000113R15 E111R15-T79 VanDerWaalsContact CZ-O 3.24Å; R15-T79 PolarHBondContact NH1-O 2.89Å; T79-E111 VanDerWaalsContact CA-OE2 3.27Å; T79-E111 WeakPolarHBondContact CA-OE2 3.27Å; T79-E111 WeakPolarHBondContact CB-OE2 3.33Å; T79-E111 PolarHBondContact N-OE2 3.35Å; T79-E111 VanDerWaalsContact OG1-CD 3.22Å; T79-E111 PolarHBondContact OG1-OE1 3.39Å; T79-E111 PolarHBondContact OG1-OE2 2.79Å
80G95.7Very high97.7Very high53 Ų5334.5 Ų34.555%0.54618%0.184SC..THydrogen-bonded Turntrans82.710.6178.400000114.9R15 Y78 Q82R15-G80 WeakPolarHBondContact CD-O 3.39Å; Y78-G80 PolarHBondContact O-N 3.08Å; Y78-G80 VanDerWaalsContact O-N 3.13Å; G80-Q82 PolarHBondContact O-N 3.24Å
81T98Very high97.9Very high9 Ų934.9 Ų34.96%0.05519%0.192CC..  trans-70.5123.1175.7-610000109.6R15 L17 Y77 Y78 A83 M112 A115R15-T81 PolarHBondContact NH1-OG1 3.19Å; L17-T81 HydrophobicContact CB-CG2 3.62Å; Y77-T81 PolarHBondContact O-OG1 2.96Å; Y78-T81 WeakPolarHBondContact O-CB 3.22Å; Y78-T81 PolarHBondContact O-N 3.44Å; Y78-T81 PolarHBondContact O-OG1 3.26Å; T81-A83 WeakPolarHBondContact CG2-O 3.24Å; T81-M112 HydrophobicContact CG2-CE 3.93Å; T81-M112 HydrophobicContact CG2-SD 4.14Å; T81-A115 HydrophobicContact CG2-CB 4.29Å
82Q97.8Very high98Very high63 Ų6335.9 Ų35.929%0.29420%0.199SC..SBendtrans-92.8-30.7175.4-65.2169.6-81.300111.5R15 G80 A115 V116R15-Q82 PolarHBondContact O-N 3.21Å; G80-Q82 PolarHBondContact O-N 3.24Å; Q82-A115 WeakPolarHBondContact O-CA 3.23Å; Q82-V116 PolarHBondContact O-N 3.14Å; Q82-V116 VanDerWaalsContact O-N 3.12Å
83A98.6Very high98.1Very high0 Ų037.2 Ų37.20%020%0.195CC..EExtended strand (participates in β ladder)trans-134.2126.9177.700000111.4R15 A16 L17 T81 V116 L169R15-A83 PolarHBondContact O-N 3.28Å; A16-A83 CarbonylContact C-O 3.53Å; A16-A83 VanDerWaalsContact CA-O 3.26Å; A16-A83 WeakPolarHBondContact CA-O 3.21Å; A16-A83 HydrophobicContact CB-CB 4.23Å; L17-A83 PolarHBondContact N-O 2.98Å; T81-A83 WeakPolarHBondContact CG2-O 3.24Å; A83-V116 WeakPolarHBondContact CA-O 3.44Å; A83-V116 HydrophobicContact CB-CG2 3.93Å; A83-L169 HydrophobicContact CB-CD1 4.41Å; A83-L169 HydrophobicContact CB-CD2 3.69Å
84L98.8Very high98.2Very high0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-86.4124.3162177.461.3000108.5L19 F86 L103 I106 V107 M112 V116 I117 L118L19-L84 HydrophobicContact CB-CD1 4.2Å; L19-L84 HydrophobicContact CD1-CD1 3.94Å; L19-L84 HydrophobicContact CG-CD1 4.11Å; L84-F86 HydrophobicContact CG-CB 4.39Å; L84-L103 HydrophobicContact CD2-CD1 3.98Å; L84-I106 HydrophobicContact CD1-CG2 4.19Å; L84-I106 HydrophobicContact CD2-CG2 3.76Å; L84-V107 HydrophobicContact CD2-CG1 3.87Å; L84-M112 HydrophobicContact CB-CE 3.74Å; L84-M112 HydrophobicContact CD1-CE 4.11Å; L84-M112 HydrophobicContact CD2-CE 4.21Å; L84-M112 HydrophobicContact CG-CE 4.24Å; L84-V116 PolarHBondContact N-O 3.18Å; L84-I117 HydrophobicContact CD2-CG1 4.49Å; L84-I117 HydrophobicContact CD2-CG2 4.24Å; L84-L118 PolarHBondContact O-N 2.9Å
85I98.9Very high98.2Very high1 Ų143.9 Ų43.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-103.7105.6165-58.6175.7000106.9A16 L17 M18 L19 V87 L118 F120 L169A16-I85 HydrophobicContact CB-CD1 4.06Å; A16-I85 HydrophobicContact CB-CG1 4.47Å; L17-I85 PolarHBondContact O-N 2.79Å; M18-I85 CarbonylContact C-O 3.57Å; M18-I85 VanDerWaalsContact CA-O 3.25Å; M18-I85 WeakPolarHBondContact CA-O 3.3Å; M18-I85 HydrophobicContact CB-CB 4.28Å; M18-I85 HydrophobicContact CE-CB 4.45Å; M18-I85 HydrophobicContact CE-CD1 4.05Å; M18-I85 HydrophobicContact CE-CG2 4.03Å; M18-I85 HydrophobicContact CG-CB 4.14Å; M18-I85 HydrophobicContact CG-CG2 4.04Å; L19-I85 PolarHBondContact N-O 3.19Å; I85-V87 HydrophobicContact CG2-CG2 4.21Å; I85-L118 CarbonylContact C-O 3.51Å; I85-L118 WeakPolarHBondContact CA-O 3.35Å; I85-L118 HydrophobicContact CG1-CD2 4.45Å; I85-F120 HydrophobicContact CG2-CD2 3.44Å; I85-F120 VanDerWaalsContact CG2-CD2 3.44Å; I85-F120 HydrophobicContact CG2-CE2 3.74Å; I85-L169 HydrophobicContact CD1-CD1 3.89Å; I85-L169 HydrophobicContact CG1-CD1 3.95Å
86F99Very high98.3Very high0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-100.3118177.8-164.3-99.9000109.9L19 L84 V88 A99 E102 L103 I106 L118 V119 F120L19-F86 HydrophobicContact CB-CD2 4.27Å; L19-F86 CarbonylContact O-C 3.52Å; L19-F86 WeakPolarHBondContact O-CA 2.93Å; L84-F86 HydrophobicContact CG-CB 4.39Å; F86-V88 HydrophobicContact CD1-CG2 3.86Å; F86-V88 HydrophobicContact CE1-CG2 3.86Å; F86-A99 HydrophobicContact CE1-CB 4.27Å; F86-A99 HydrophobicContact CZ-CB 4.41Å; F86-A99 WeakPolarHBondContact CZ-O 3.38Å; F86-E102 HydrophobicContact CZ-CB 4.38Å; F86-L103 HydrophobicContact CB-CD1 4.13Å; F86-L103 HydrophobicContact CD1-CB 4.37Å; F86-L103 HydrophobicContact CD1-CD1 4.19Å; F86-L103 HydrophobicContact CD2-CD1 4.01Å; F86-L103 HydrophobicContact CE1-CB 4.01Å; F86-L103 HydrophobicContact CE2-CB 4.16Å; F86-L103 HydrophobicContact CE2-CD1 4.48Å; F86-L103 HydrophobicContact CG-CD1 3.85Å; F86-L103 HydrophobicContact CZ-CB 3.89Å; F86-I106 HydrophobicContact CD2-CD1 3.98Å; F86-I106 HydrophobicContact CE2-CD1 3.74Å; F86-L118 PolarHBondContact N-O 3.45Å; F86-V119 HydrophobicContact CB-CG2 4.46Å; F86-V119 CarbonylContact O-C 3.57Å; F86-V119 VanDerWaalsContact O-CA 3.24Å; F86-V119 WeakPolarHBondContact O-CA 3.49Å; F86-F120 PolarHBondContact O-N 3.32Å
87V99Very high98.4Very high1 Ų136 Ų361%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-100.8126.3-176.1-171.60000109.8M18 L19 A24 K26 I29 I85 F120 N122M18-V87 HydrophobicContact CG-CG2 3.96Å; M18-V87 HydrophobicContact SD-CG2 4.21Å; L19-V87 PolarHBondContact O-N 2.87Å; A24-V87 HydrophobicContact CB-CB 4.27Å; A24-V87 HydrophobicContact CB-CG1 4.05Å; A24-V87 WeakPolarHBondContact CB-O 3.26Å; A24-V87 VanDerWaalsContact O-CG1 3.3Å; A24-V87 WeakPolarHBondContact O-CG1 3.38Å; K26-V87 HydrophobicContact CB-CG2 4.5Å; K26-V87 HydrophobicContact CG-CB 3.82Å; K26-V87 HydrophobicContact CG-CG2 3.76Å; I29-V87 HydrophobicContact CD1-CG1 3.69Å; I29-V87 HydrophobicContact CD1-CG2 3.96Å; I85-V87 HydrophobicContact CG2-CG2 4.21Å; V87-F120 HydrophobicContact CG1-CB 4.4Å; V87-F120 HydrophobicContact CG2-CB 4.37Å; V87-N122 HydrophobicContact CG1-CB 3.94Å
88V98.9Very high98.4Very high5 Ų537 Ų373%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-112.3130176.6176.70000109.4F86 C90 I96 V119 F120 N122 V135 L139F86-V88 HydrophobicContact CD1-CG2 3.86Å; F86-V88 HydrophobicContact CE1-CG2 3.86Å; V88-C90 PolarHBondContact O-N 2.77Å; V88-I96 HydrophobicContact CG1-CD1 3.9Å; V88-V119 HydrophobicContact CG2-CG1 4.08Å; V88-F120 PolarHBondContact N-O 3.28Å; V88-N122 WeakPolarHBondContact O-CA 3.45Å; V88-N122 VanDerWaalsContact O-CB 3.31Å; V88-N122 WeakPolarHBondContact O-CB 3.25Å; V88-N122 PolarHBondContact O-N 3.43Å; V88-V135 HydrophobicContact CB-CG1 4.46Å; V88-V135 HydrophobicContact CG1-CG1 4.36Å; V88-V135 HydrophobicContact CG2-CG1 4.37Å; V88-L139 HydrophobicContact CG2-CD1 4.02Å; V88-L139 HydrophobicContact CG2-CD2 4.39Å
89D98.8Very high98.4Very high20 Ų2036.8 Ų36.811%0.10720%0.204CC..EExtended strand (participates in β ladder)trans-73.2107.5163-172.8-14.4000109A91 D92 K123D89-A91 PolarHBondContact O-N 3.03Å; D89-A91 WeakPolarHBondContact OD1-CB 3.49Å; D89-A91 PolarHBondContact OD1-N 3.15Å; D89-D92 HydrophobicContact CB-CB 3.79Å; D89-D92 PolarHBondContact O-N 3.23Å; D89-D92 PolarHBondContact OD1-N 3.38Å; D89-K123 VanDerWaalsContact CG-CE 3.48Å; D89-K123 VanDerWaalsContact CG-NZ 3.33Å; D89-K123 VanDerWaalsContact OD1-CD 3.27Å; D89-K123 WeakPolarHBondContact OD1-CD 3.48Å; D89-K123 IonicContact OD1-NZ 2.71Å; D89-K123 VanDerWaalsContact OD2-CE 3.29Å; D89-K123 WeakPolarHBondContact OD2-CE 3.12Å; D89-K123 IonicContact OD2-NZ 3.1Å; D89-K123 PolarHBondContact OD2-NZ 3.22Å
90C98.9Very high98.5Very high0 Ų036.2 Ų36.20%019%0.192CC..THydrogen-bonded Turntrans-73.8-14.7-179.8-67.30000113.6V88 A121 N122 Q124 A129 M130V88-C90 PolarHBondContact O-N 2.77Å; C90-A121 WeakPolarHBondContact SG-CA 3.3Å; C90-A121 VanDerWaalsContact SG-CB 3.58Å; C90-N122 WeakPolarHBondContact CB-O 3.35Å; C90-N122 PolarHBondContact N-O 3.15Å; C90-N122 PolarHBondContact SG-O 2.62Å; C90-N122 VanDerWaalsContact SG-O 3.37Å; C90-Q124 PolarHBondContact SG-NE2 3.26Å; C90-A129 HydrophobicContact CB-CB 3.81Å; C90-A129 CarbonylContact O-C 3.56Å; C90-A129 WeakPolarHBondContact O-CA 3.37Å; C90-M130 HydrophobicContact CB-CB 4.18Å; C90-M130 WeakPolarHBondContact CB-O 3.46Å; C90-M130 PolarHBondContact O-N 3.14Å; C90-M130 PolarHBondContact SG-O 2.92Å
91A98.5Very high98.7Very high43 Ų4338.9 Ų38.936%0.35519%0.19SC..THydrogen-bonded Turntrans-81.9-18.8173.400000112.4D89 R93 V126D89-A91 PolarHBondContact O-N 3.03Å; D89-A91 WeakPolarHBondContact OD1-CB 3.49Å; D89-A91 PolarHBondContact OD1-N 3.15Å; A91-R93 PolarHBondContact O-N 3.11Å; A91-V126 HydrophobicContact CB-CB 4.22Å; A91-V126 HydrophobicContact CB-CG1 3.92Å; A91-V126 HydrophobicContact CB-CG2 4.29Å
92D98.5Very high98.7Very high31 Ų3139 Ų3917%0.16619%0.19CC..  trans-91.978.4-178.1-165.9-22.2000111.6D89 D94 R95D89-D92 HydrophobicContact CB-CB 3.79Å; D89-D92 PolarHBondContact O-N 3.23Å; D89-D92 PolarHBondContact OD1-N 3.38Å; D92-D94 VanDerWaalsContact C-N 3.27Å; D92-D94 PolarHBondContact O-N 2.8Å; D92-D94 PolarHBondContact OD1-N 2.85Å; D92-R95 WeakPolarHBondContact OD1-CB 3.37Å; D92-R95 PolarHBondContact OD1-N 2.96Å; D92-R95 IonicContact OD1-NE 3.88Å; D92-R95 IonicContact OD2-CZ 2.68Å; D92-R95 IonicContact OD2-NE 3.81Å; D92-R95 PolarHBondContact OD2-NE 3.37Å; D92-R95 IonicContact OD2-NH2 3.8Å; D92-R95 PolarHBondContact OD2-NH2 3.08Å
93R98.3Very high98.8Very high95 Ų9536 Ų3636%0.35818%0.176SC..  trans-68.9-27.3178.4-69.6173.9170.4-78.7-7.7112.4A91 I96 E128 M130 E134A91-R93 PolarHBondContact O-N 3.11Å; R93-I96 WeakPolarHBondContact O-CG2 3.32Å; R93-E128 PolarHBondContact NE-O 3.01Å; R93-E128 PolarHBondContact NH2-O 3.49Å; R93-M130 HydrophobicContact CG-CE 4.28Å; R93-M130 HydrophobicContact CG-CG 3.95Å; R93-M130 HydrophobicContact CG-SD 4.09Å; R93-E134 IonicContact CZ-OE1 2.62Å; R93-E134 IonicContact CZ-OE2 3.67Å; R93-E134 IonicContact NH1-OE1 3.71Å; R93-E134 PolarHBondContact NH1-OE1 2.92Å; R93-E134 IonicContact NH1-OE2 3.69Å; R93-E134 IonicContact NH2-OE1 2.67Å; R93-E134 IonicContact NH2-OE2 3.02Å; R93-E134 PolarHBondContact NH2-OE2 3.06Å
94D98.6Very high98.8Very high156 Ų15637.7 Ų37.783%0.83418%0.184SC*.THydrogen-bonded Turntrans-70.9-34-175.4-65.5-23000112D92D92-D94 VanDerWaalsContact C-N 3.27Å; D92-D94 PolarHBondContact O-N 2.8Å; D92-D94 PolarHBondContact OD1-N 2.85Å
95R98.7Very high98.7Very high62 Ų6244.2 Ų44.223%0.23421%0.208CC..THydrogen-bonded Turntrans-101.611.6-178.1-60.7-169.7-66.1164.93.8114.6L21 D22 D92 D97 E98 A99L21-R95 HydrophobicContact CD1-CB 3.7Å; D22-R95 VanDerWaalsContact CG-NH1 3.32Å; D22-R95 PolarHBondContact O-NH2 3.49Å; D22-R95 IonicContact OD1-NH1 3.22Å; D22-R95 PolarHBondContact OD1-NH1 2.87Å; D22-R95 IonicContact OD2-CZ 3.59Å; D22-R95 IonicContact OD2-NH1 2.86Å; D22-R95 PolarHBondContact OD2-NH1 2.86Å; D22-R95 IonicContact OD2-NH2 3.52Å; D92-R95 WeakPolarHBondContact OD1-CB 3.37Å; D92-R95 PolarHBondContact OD1-N 2.96Å; D92-R95 IonicContact OD1-NE 3.88Å; D92-R95 IonicContact OD2-CZ 2.68Å; D92-R95 IonicContact OD2-NE 3.81Å; D92-R95 PolarHBondContact OD2-NE 3.37Å; D92-R95 IonicContact OD2-NH2 3.8Å; D92-R95 PolarHBondContact OD2-NH2 3.08Å; R95-D97 VanDerWaalsContact C-N 3.32Å; R95-D97 PolarHBondContact O-N 2.87Å; R95-E98 HydrophobicContact CB-CB 4.42Å; R95-E98 WeakPolarHBondContact CD-OE2 3.24Å; R95-E98 WeakPolarHBondContact CG-OE2 3.4Å; R95-E98 WeakPolarHBondContact O-CB 3.35Å; R95-E98 PolarHBondContact O-N 3.32Å; R95-A99 PolarHBondContact O-N 2.79Å
96I98.7Very high98.7Very high5 Ų544.2 Ų44.23%0.02621%0.208CC..Hα-helixtrans-64.7-34.6-179.9-169.256.2000113.2V88 R93 E98 A99 R100 M130 K138 L139V88-I96 HydrophobicContact CG1-CD1 3.9Å; R93-I96 WeakPolarHBondContact O-CG2 3.32Å; I96-E98 VanDerWaalsContact C-N 3.34Å; I96-A99 HydrophobicContact CD1-CB 4.46Å; I96-A99 PolarHBondContact O-N 3.04Å; I96-R100 PolarHBondContact O-N 2.84Å; I96-M130 HydrophobicContact CB-CE 4.12Å; I96-M130 HydrophobicContact CB-SD 4.29Å; I96-M130 HydrophobicContact CD1-CE 4.01Å; I96-M130 HydrophobicContact CD1-SD 4.39Å; I96-M130 HydrophobicContact CG1-CE 4.11Å; I96-M130 HydrophobicContact CG1-SD 4.04Å; I96-K138 HydrophobicContact CB-CD 4.43Å; I96-K138 HydrophobicContact CD1-CB 4.43Å; I96-K138 HydrophobicContact CG1-CB 3.62Å; I96-K138 HydrophobicContact CG1-CD 3.82Å; I96-K138 HydrophobicContact CG1-CG 4.36Å; I96-K138 HydrophobicContact CG2-CD 3.92Å; I96-L139 HydrophobicContact CD1-CD2 3.93Å; I96-L139 HydrophobicContact CD1-CG 4.38Å
97D98.8Very high98.7Very high78 Ų7844.3 Ų44.342%0.41721%0.209SC..Hα-helixtrans-70.1-32.9176-77.9-38.1000112R95 R100 Q101R95-D97 VanDerWaalsContact C-N 3.32Å; R95-D97 PolarHBondContact O-N 2.87Å; D97-R100 PolarHBondContact O-N 3.39Å; D97-R100 IonicContact OD1-CZ 3.03Å; D97-R100 IonicContact OD1-NH1 2.7Å; D97-R100 PolarHBondContact OD1-NH1 2.8Å; D97-R100 IonicContact OD1-NH2 2.79Å; D97-R100 PolarHBondContact OD1-NH2 2.84Å; D97-Q101 VanDerWaalsContact O-CG 3.3Å; D97-Q101 WeakPolarHBondContact O-CG 3.38Å; D97-Q101 PolarHBondContact O-N 2.78Å; D97-Q101 PolarHBondContact O-NE2 3.08Å
98E98.8Very high98.6Very high56 Ų5650 Ų5026%0.26224%0.239SC..Hα-helixtrans-66.7-46.8171.7-175.4-175.2174.200110.1L21 R71 R95 I96 R100 Q101 E102L21-E98 HydrophobicContact CD1-CB 4.27Å; L21-E98 HydrophobicContact CD1-CG 4.23Å; L21-E98 HydrophobicContact CD2-CG 4.17Å; R71-E98 IonicContact CZ-OE1 3.14Å; R71-E98 IonicContact NH1-OE1 2.61Å; R71-E98 PolarHBondContact NH1-OE1 3.41Å; R71-E98 IonicContact NH2-OE1 2.79Å; R71-E98 PolarHBondContact NH2-OE1 2.63Å; R95-E98 HydrophobicContact CB-CB 4.42Å; R95-E98 WeakPolarHBondContact CD-OE2 3.24Å; R95-E98 WeakPolarHBondContact CG-OE2 3.4Å; R95-E98 WeakPolarHBondContact O-CB 3.35Å; R95-E98 PolarHBondContact O-N 3.32Å; I96-E98 VanDerWaalsContact C-N 3.34Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 2.79Å; E98-Q101 PolarHBondContact O-N 2.61Å; E98-Q101 VanDerWaalsContact O-N 3.11Å; E98-E102 WeakPolarHBondContact O-CG 3.41Å; E98-E102 PolarHBondContact O-N 3.35Å
99A98.9Very high98.5Very high4 Ų452.1 Ų52.13%0.03325%0.25CS..Hα-helixtrans-58.7-39.7174.200000112.2L21 F86 R95 I96 L103 L139L21-A99 HydrophobicContact CD1-CB 3.92Å; L21-A99 HydrophobicContact CD2-CB 4.49Å; L21-A99 HydrophobicContact CG-CB 4.06Å; F86-A99 HydrophobicContact CE1-CB 4.27Å; F86-A99 HydrophobicContact CZ-CB 4.41Å; F86-A99 WeakPolarHBondContact CZ-O 3.38Å; R95-A99 PolarHBondContact O-N 2.79Å; I96-A99 HydrophobicContact CD1-CB 4.46Å; I96-A99 PolarHBondContact O-N 3.04Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; A99-L103 PolarHBondContact O-N 2.8Å; A99-L139 HydrophobicContact CB-CD2 4.31Å
100R98.9Very high98.4Very high79 Ų7961.4 Ų61.430%0.29828%0.284SS..Hα-helixtrans-59.3-52.2172178.2-177.261.5-125.7-2110.7I96 D97 E98 E102 L103 H104 K138 L139I96-R100 PolarHBondContact O-N 2.84Å; D97-R100 PolarHBondContact O-N 3.39Å; D97-R100 IonicContact OD1-CZ 3.03Å; D97-R100 IonicContact OD1-NH1 2.7Å; D97-R100 PolarHBondContact OD1-NH1 2.8Å; D97-R100 IonicContact OD1-NH2 2.79Å; D97-R100 PolarHBondContact OD1-NH2 2.84Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 2.79Å; R100-E102 VanDerWaalsContact C-N 3.28Å; R100-E102 PolarHBondContact O-N 3.11Å; R100-L103 PolarHBondContact O-N 2.98Å; R100-H104 PolarHBondContact O-CD2 3.26Å; R100-H104 PolarHBondContact O-N 2.87Å; R100-K138 VanDerWaalsContact CD-O 3.31Å; R100-K138 WeakPolarHBondContact CD-O 3.4Å; R100-K138 PolarHBondContact NH1-O 3.31Å; R100-L139 HydrophobicContact CB-CD2 4.3Å
101Q98.7Very high98.4Very high109 Ų10964.9 Ų64.951%0.50930%0.3SS..Hα-helixtrans-58.1-43.6-177.7-73.1171.352.900111.5D97 E98 H104 R105D97-Q101 VanDerWaalsContact O-CG 3.3Å; D97-Q101 WeakPolarHBondContact O-CG 3.38Å; D97-Q101 PolarHBondContact O-N 2.78Å; D97-Q101 PolarHBondContact O-NE2 3.08Å; E98-Q101 PolarHBondContact O-N 2.61Å; E98-Q101 VanDerWaalsContact O-N 3.11Å; Q101-H104 PolarHBondContact O-N 2.91Å; Q101-R105 WeakPolarHBondContact O-CB 3.26Å; Q101-R105 PolarHBondContact O-N 3.36Å
102E98.8Very high98.4Very high12 Ų1262.9 Ų62.96%0.05628%0.283CS..Hα-helixtrans-61.6-49175.2-73.9-45.2138.300112.5L21 R71 W74 F86 E98 R100 H104 R105 I106L21-E102 HydrophobicContact CD2-CB 4.46Å; L21-E102 HydrophobicContact CD2-CG 3.83Å; R71-E102 IonicContact NH1-OE1 3.69Å; W74-E102 HydrophobicContact CH2-CB 4.38Å; W74-E102 HydrophobicContact CH2-CG 4.32Å; W74-E102 HydrophobicContact CZ3-CB 3.92Å; W74-E102 HydrophobicContact CZ3-CG 4.1Å; F86-E102 HydrophobicContact CZ-CB 4.38Å; E98-E102 WeakPolarHBondContact O-CG 3.41Å; E98-E102 PolarHBondContact O-N 3.35Å; R100-E102 VanDerWaalsContact C-N 3.28Å; R100-E102 PolarHBondContact O-N 3.11Å; E102-H104 PolarHBondContact O-N 2.86Å; E102-R105 WeakPolarHBondContact O-CB 3.46Å; E102-R105 PolarHBondContact O-N 2.89Å; E102-R105 IonicContact OE1-CZ 3.7Å; E102-R105 IonicContact OE1-NH1 2.63Å; E102-R105 PolarHBondContact OE1-NH1 2.91Å; E102-R105 IonicContact OE1-NH2 3.94Å; E102-R105 IonicContact OE2-CZ 3.95Å; E102-R105 IonicContact OE2-NH1 2.78Å; E102-R105 PolarHBondContact OE2-NH1 2.89Å; E102-I106 WeakPolarHBondContact O-CD1 3.5Å; E102-I106 VanDerWaalsContact O-CG1 3.27Å; E102-I106 WeakPolarHBondContact O-CG1 3.38Å; E102-I106 PolarHBondContact O-N 3.46Å
103L98.9Very high98.2Very high0 Ų069.7 Ų69.70%031%0.307CS..Hα-helixtrans-57.1-49.6177.4176.765.5000111.2L84 F86 A99 R100 R105 I106 V107 I117 L139 L141L84-L103 HydrophobicContact CD2-CD1 3.98Å; F86-L103 HydrophobicContact CB-CD1 4.13Å; F86-L103 HydrophobicContact CD1-CB 4.37Å; F86-L103 HydrophobicContact CD1-CD1 4.19Å; F86-L103 HydrophobicContact CD2-CD1 4.01Å; F86-L103 HydrophobicContact CE1-CB 4.01Å; F86-L103 HydrophobicContact CE2-CB 4.16Å; F86-L103 HydrophobicContact CE2-CD1 4.48Å; F86-L103 HydrophobicContact CG-CD1 3.85Å; F86-L103 HydrophobicContact CZ-CB 3.89Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; A99-L103 PolarHBondContact O-N 2.8Å; R100-L103 PolarHBondContact O-N 2.98Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.38Å; L103-I106 PolarHBondContact O-N 2.82Å; L103-V107 HydrophobicContact CD1-CG1 3.75Å; L103-V107 HydrophobicContact CG-CG1 4.31Å; L103-V107 WeakPolarHBondContact O-CG1 3.23Å; L103-V107 WeakPolarHBondContact O-CG2 3.37Å; L103-V107 PolarHBondContact O-N 3.05Å; L103-I117 HydrophobicContact CD1-CG2 4.39Å; L103-L139 HydrophobicContact CD2-CB 4.14Å; L103-L139 HydrophobicContact CD2-CD1 4.09Å; L103-L139 HydrophobicContact CD2-CD2 4.44Å; L103-L139 HydrophobicContact CD2-CG 4.47Å; L103-L141 HydrophobicContact CD2-CD2 3.47Å; L103-L141 VanDerWaalsContact CD2-CD2 3.47Å
104H98.6Very high98.1Very high34 Ų3472.1 Ų72.116%0.15733%0.327CS..Hα-helixtrans-65.2-33-179.8-80.1-91.3000112R100 Q101 E102 N108 L139R100-H104 PolarHBondContact O-CD2 3.26Å; R100-H104 PolarHBondContact O-N 2.87Å; Q101-H104 PolarHBondContact O-N 2.91Å; E102-H104 PolarHBondContact O-N 2.86Å; H104-N108 VanDerWaalsContact O-CB 3.27Å; H104-N108 WeakPolarHBondContact O-CB 3.24Å; H104-N108 VanDerWaalsContact O-CG 3.26Å; H104-N108 PolarHBondContact O-N 3.23Å; H104-N108 PolarHBondContact O-ND2 3.3Å; H104-L139 PolarHBondContact CD2-O 3.18Å; H104-L139 PolarHBondContact NE2-O 3.48Å
105R98.3Very high98Very high138 Ų13864.8 Ų64.852%0.52129%0.288SS..Hα-helixtrans-64.2-45.6172.1-171.5-178-62128.51.1111.6Q101 E102 L103Q101-R105 WeakPolarHBondContact O-CB 3.26Å; Q101-R105 PolarHBondContact O-N 3.36Å; E102-R105 WeakPolarHBondContact O-CB 3.46Å; E102-R105 PolarHBondContact O-N 2.89Å; E102-R105 IonicContact OE1-CZ 3.7Å; E102-R105 IonicContact OE1-NH1 2.63Å; E102-R105 PolarHBondContact OE1-NH1 2.91Å; E102-R105 IonicContact OE1-NH2 3.94Å; E102-R105 IonicContact OE2-CZ 3.95Å; E102-R105 IonicContact OE2-NH1 2.78Å; E102-R105 PolarHBondContact OE2-NH1 2.89Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.38Å
106I98.6Very high98Very high0 Ų062.5 Ų62.50%028%0.281CS..Hα-helixtrans-62.7-53.9179.1-64.1154.9000110.8L19 W74 Y78 L84 F86 E102 L103 N108 D109 M112L19-I106 HydrophobicContact CB-CD1 4.13Å; L19-I106 HydrophobicContact CD1-CD1 3.61Å; L19-I106 HydrophobicContact CD1-CG1 3.95Å; L19-I106 HydrophobicContact CD1-CG2 4.19Å; W74-I106 HydrophobicContact CE3-CD1 3.76Å; W74-I106 HydrophobicContact CE3-CG1 4Å; W74-I106 HydrophobicContact CZ3-CD1 3.65Å; W74-I106 HydrophobicContact CZ3-CG1 4.29Å; Y78-I106 HydrophobicContact CE1-CG1 4.45Å; Y78-I106 HydrophobicContact CE1-CG2 4.02Å; Y78-I106 WeakPolarHBondContact OH-CG1 3.31Å; L84-I106 HydrophobicContact CD1-CG2 4.19Å; L84-I106 HydrophobicContact CD2-CG2 3.76Å; F86-I106 HydrophobicContact CD2-CD1 3.98Å; F86-I106 HydrophobicContact CE2-CD1 3.74Å; E102-I106 WeakPolarHBondContact O-CD1 3.5Å; E102-I106 VanDerWaalsContact O-CG1 3.27Å; E102-I106 WeakPolarHBondContact O-CG1 3.38Å; E102-I106 PolarHBondContact O-N 3.46Å; L103-I106 PolarHBondContact O-N 2.82Å; I106-N108 VanDerWaalsContact C-N 3.27Å; I106-N108 PolarHBondContact O-N 2.79Å; I106-D109 WeakPolarHBondContact O-CB 3.49Å; I106-D109 PolarHBondContact O-N 2.93Å; I106-D109 VanDerWaalsContact O-N 3.11Å; I106-M112 HydrophobicContact CG2-CE 3.88Å; I106-M112 HydrophobicContact CG2-CG 4.04Å; I106-M112 WeakPolarHBondContact O-CB 3.41Å; I106-M112 WeakPolarHBondContact O-CG 3.45Å
107V98Very high98Very high3 Ų362.3 Ų62.32%0.01828%0.28CS..Hα-helixtrans-73.4-20.7-169.3-57.60000113L84 L103 D109 I117 L144 R147L84-V107 HydrophobicContact CD2-CG1 3.87Å; L103-V107 HydrophobicContact CD1-CG1 3.75Å; L103-V107 HydrophobicContact CG-CG1 4.31Å; L103-V107 WeakPolarHBondContact O-CG1 3.23Å; L103-V107 WeakPolarHBondContact O-CG2 3.37Å; L103-V107 PolarHBondContact O-N 3.05Å; V107-D109 VanDerWaalsContact C-N 3.32Å; V107-I117 HydrophobicContact CB-CD1 4.29Å; V107-I117 HydrophobicContact CG1-CD1 3.65Å; V107-I117 HydrophobicContact CG1-CG1 4.23Å; V107-L144 HydrophobicContact CG2-CD1 4.16Å; V107-L144 HydrophobicContact CG2-CD2 3.72Å; V107-R147 PolarHBondContact O-NH1 3.41Å
108N96.7Very high98Very high120 Ų12058.6 Ų58.664%0.64226%0.26SS*.THydrogen-bonded Turntrans-84.7-5.4173.7-71.2-42.6000113.2H104 I106H104-N108 VanDerWaalsContact O-CB 3.27Å; H104-N108 WeakPolarHBondContact O-CB 3.24Å; H104-N108 VanDerWaalsContact O-CG 3.26Å; H104-N108 PolarHBondContact O-N 3.23Å; H104-N108 PolarHBondContact O-ND2 3.3Å; I106-N108 VanDerWaalsContact C-N 3.27Å; I106-N108 PolarHBondContact O-N 2.79Å
109D98.1Very high98Very high49 Ų4955.9 Ų55.926%0.26225%0.248SC..SBendtrans-69135.5170-164.1-64.1000110.3Y78 I106 V107 E111 M112 R113Y78-D109 HydrophobicContact CD2-CB 3.73Å; Y78-D109 VanDerWaalsContact CD2-CG 3.5Å; Y78-D109 HydrophobicContact CE2-CB 3.7Å; I106-D109 WeakPolarHBondContact O-CB 3.49Å; I106-D109 PolarHBondContact O-N 2.93Å; I106-D109 VanDerWaalsContact O-N 3.11Å; V107-D109 VanDerWaalsContact C-N 3.32Å; D109-E111 PolarHBondContact O-N 3.11Å; D109-E111 PolarHBondContact OD1-N 3.48Å; D109-M112 HydrophobicContact CB-CG 4.35Å; D109-M112 PolarHBondContact O-N 3.48Å; D109-R113 PolarHBondContact O-N 2.7Å
110R97.1Very high98Very high216 Ų21655.7 Ų55.782%0.81525%0.246SC*.G310 helixtrans-56.7-33.4-179.267.2-177.7-177.9-177.4-0.2112.9M112 R113R110-M112 PolarHBondContact O-N 2.7Å; R110-R113 WeakPolarHBondContact O-CB 3.34Å; R110-R113 PolarHBondContact O-N 3.23Å
111E97.9Very high98Very high73 Ų7352 Ų5234%0.34123%0.232SC..G310 helixtrans-73.2-18.3-179.4-62.6-160.9158.700112.5T79 D109T79-E111 VanDerWaalsContact CA-OE2 3.27Å; T79-E111 WeakPolarHBondContact CA-OE2 3.27Å; T79-E111 WeakPolarHBondContact CB-OE2 3.33Å; T79-E111 PolarHBondContact N-OE2 3.35Å; T79-E111 VanDerWaalsContact OG1-CD 3.22Å; T79-E111 PolarHBondContact OG1-OE1 3.39Å; T79-E111 PolarHBondContact OG1-OE2 2.79Å; D109-E111 PolarHBondContact O-N 3.11Å; D109-E111 PolarHBondContact OD1-N 3.48Å
112M97.9Very high98Very high0 Ų047 Ų470%021%0.209CC..G310 helixtrans-97.21.1179.2-66.1-61.2-65.500112.7Y78 T81 L84 I106 D109 R110 D114 A115 R147Y78-M112 HydrophobicContact CD1-CG 3.97Å; Y78-M112 HydrophobicContact CD1-SD 3.77Å; Y78-M112 HydrophobicContact CD2-CG 3.81Å; Y78-M112 HydrophobicContact CE1-CG 4.47Å; Y78-M112 HydrophobicContact CE2-CG 4.32Å; Y78-M112 HydrophobicContact CG-CG 3.63Å; Y78-M112 HydrophobicContact CG-SD 3.79Å; T81-M112 HydrophobicContact CG2-CE 3.93Å; T81-M112 HydrophobicContact CG2-SD 4.14Å; L84-M112 HydrophobicContact CB-CE 3.74Å; L84-M112 HydrophobicContact CD1-CE 4.11Å; L84-M112 HydrophobicContact CD2-CE 4.21Å; L84-M112 HydrophobicContact CG-CE 4.24Å; I106-M112 HydrophobicContact CG2-CE 3.88Å; I106-M112 HydrophobicContact CG2-CG 4.04Å; I106-M112 WeakPolarHBondContact O-CB 3.41Å; I106-M112 WeakPolarHBondContact O-CG 3.45Å; D109-M112 HydrophobicContact CB-CG 4.35Å; D109-M112 PolarHBondContact O-N 3.48Å; R110-M112 PolarHBondContact O-N 2.7Å; M112-D114 VanDerWaalsContact C-N 3.33Å; M112-D114 PolarHBondContact O-N 3.25Å; M112-A115 HydrophobicContact CE-CB 3.92Å; M112-A115 PolarHBondContact O-N 2.82Å; M112-R147 PolarHBondContact O-NH2 3.29Å
113R95.5Very high98Very high174 Ų17449 Ų4966%0.65722%0.217SC*.THydrogen-bonded Turntrans-53.6-46-173.1-177.8-177.8-177.81781.5113.4D109 R110 R147D109-R113 PolarHBondContact O-N 2.7Å; R110-R113 WeakPolarHBondContact O-CB 3.34Å; R110-R113 PolarHBondContact O-N 3.23Å; R113-R147 VanDerWaalsContact O-CZ 3.22Å; R113-R147 PolarHBondContact O-NE 3.38Å; R113-R147 VanDerWaalsContact O-NE 3.08Å; R113-R147 PolarHBondContact O-NH2 2.92Å
114D94.7Very high98Very high146 Ų14651 Ų5178%0.78123%0.226SC*.THydrogen-bonded Turntrans-92.4-4.6-173.7-61.1-41.1000113.3M112 V116M112-D114 VanDerWaalsContact C-N 3.33Å; M112-D114 PolarHBondContact O-N 3.25Å; D114-V116 PolarHBondContact O-N 3.38Å
115A97.8Very high98Very high3 Ų354.4 Ų54.43%0.02525%0.246CC..  trans-69.5131.717800000110.7T81 Q82 M112 R147T81-A115 HydrophobicContact CG2-CB 4.29Å; Q82-A115 WeakPolarHBondContact O-CA 3.23Å; M112-A115 HydrophobicContact CE-CB 3.92Å; M112-A115 PolarHBondContact O-N 2.82Å; A115-R147 PolarHBondContact O-NH2 2.62Å
116V98.2Very high98Very high14 Ų1450.5 Ų50.59%0.08524%0.238CC..EExtended strand (participates in β ladder)trans-73151.2166.6-560000109.7Q82 A83 L84 D114 N148 W168 L169 N172 C173Q82-V116 PolarHBondContact O-N 3.14Å; Q82-V116 VanDerWaalsContact O-N 3.12Å; A83-V116 WeakPolarHBondContact CA-O 3.44Å; A83-V116 HydrophobicContact CB-CG2 3.93Å; L84-V116 PolarHBondContact N-O 3.18Å; D114-V116 PolarHBondContact O-N 3.38Å; V116-N148 HydrophobicContact CG1-CB 4.28Å; V116-W168 HydrophobicContact CB-CH2 4.22Å; V116-W168 HydrophobicContact CB-CZ3 4.36Å; V116-W168 HydrophobicContact CG2-CZ3 4.27Å; V116-L169 HydrophobicContact CG2-CD2 3.67Å; V116-N172 HydrophobicContact CG1-CB 4.43Å; V116-C173 WeakPolarHBondContact CG2-SG 3.33Å
117I98.8Very high97.8Very high0 Ų056.3 Ų56.30%027%0.272CS..EExtended strand (participates in β ladder)trans-119103.4-171.2-54161.1000109.6L84 L103 V107 V119 L144 R147 N148 W149 Y150 W168L84-I117 HydrophobicContact CD2-CG1 4.49Å; L84-I117 HydrophobicContact CD2-CG2 4.24Å; L103-I117 HydrophobicContact CD1-CG2 4.39Å; V107-I117 HydrophobicContact CB-CD1 4.29Å; V107-I117 HydrophobicContact CG1-CD1 3.65Å; V107-I117 HydrophobicContact CG1-CG1 4.23Å; I117-V119 HydrophobicContact CG2-CG2 4.19Å; I117-L144 HydrophobicContact CD1-CD1 4.01Å; I117-R147 HydrophobicContact CD1-CB 4.01Å; I117-N148 PolarHBondContact N-O 2.91Å; I117-W149 HydrophobicContact CB-CB 3.84Å; I117-W149 HydrophobicContact CD1-CB 4.46Å; I117-W149 HydrophobicContact CG2-CB 4.32Å; I117-W149 CarbonylContact O-C 3.55Å; I117-W149 WeakPolarHBondContact O-CA 3.41Å; I117-Y150 PolarHBondContact O-N 3.41Å; I117-W168 WeakPolarHBondContact O-CH2 3.42Å
118L98.9Very high97.7Very high0 Ų062.6 Ų62.60%030%0.302CS..EExtended strand (participates in β ladder)trans-91.1122.6166.3176.967000108.7L84 I85 F86 F120 Y150 Q152 W168 L169L84-L118 PolarHBondContact O-N 2.9Å; I85-L118 CarbonylContact C-O 3.51Å; I85-L118 WeakPolarHBondContact CA-O 3.35Å; I85-L118 HydrophobicContact CG1-CD2 4.45Å; F86-L118 PolarHBondContact N-O 3.45Å; L118-F120 HydrophobicContact CD2-CD2 4.19Å; L118-F120 HydrophobicContact CD2-CE1 4.11Å; L118-F120 HydrophobicContact CD2-CE2 3.66Å; L118-F120 HydrophobicContact CD2-CZ 3.62Å; L118-Y150 HydrophobicContact CD1-CD1 3.92Å; L118-Q152 HydrophobicContact CD1-CB 3.91Å; L118-W168 HydrophobicContact CB-CE3 4.11Å; L118-W168 HydrophobicContact CB-CZ3 3.96Å; L118-W168 HydrophobicContact CD1-CE3 4.01Å; L118-L169 HydrophobicContact CB-CD1 4.41Å; L118-L169 HydrophobicContact CB-CD2 3.81Å; L118-L169 HydrophobicContact CB-CG 4.13Å; L118-L169 HydrophobicContact CD2-CD1 3.81Å; L118-L169 HydrophobicContact CD2-CG 3.94Å
119V99Very high97.8Very high0 Ų057 Ų570%027%0.272CS..EExtended strand (participates in β ladder)trans-99.4116.4168.2-179.10000108.6F86 V88 I117 A121 V135 L139 L141 Y150 V151 Q152F86-V119 HydrophobicContact CB-CG2 4.46Å; F86-V119 CarbonylContact O-C 3.57Å; F86-V119 VanDerWaalsContact O-CA 3.24Å; F86-V119 WeakPolarHBondContact O-CA 3.49Å; V88-V119 HydrophobicContact CG2-CG1 4.08Å; I117-V119 HydrophobicContact CG2-CG2 4.19Å; V119-A121 PolarHBondContact O-N 2.87Å; V119-V135 HydrophobicContact CG1-CG1 4.21Å; V119-L139 HydrophobicContact CG1-CD1 3.84Å; V119-L139 HydrophobicContact CG2-CD1 4.28Å; V119-L141 HydrophobicContact CG2-CD1 4.16Å; V119-Y150 PolarHBondContact N-O 3.43Å; V119-V151 HydrophobicContact CB-CG1 4.46Å; V119-V151 HydrophobicContact CB-CG2 4.17Å; V119-V151 HydrophobicContact CG1-CG1 4.38Å; V119-V151 CarbonylContact O-C 3.51Å; V119-V151 WeakPolarHBondContact O-CA 3.43Å; V119-Q152 PolarHBondContact O-N 3.03Å
120F98.9Very high97.8Very high0 Ų054.7 Ų54.70%026%0.26CS..EExtended strand (participates in β ladder)trans-84.1110.1165.9-83.7-54000109I29 I85 F86 V87 V88 L118 N122 Q152 C154 L162I29-F120 HydrophobicContact CD1-CB 4.21Å; I29-F120 HydrophobicContact CD1-CD2 4.07Å; I29-F120 HydrophobicContact CD1-CG 4.25Å; I29-F120 HydrophobicContact CG2-CD2 4.48Å; I29-F120 HydrophobicContact CG2-CE2 4.24Å; I85-F120 HydrophobicContact CG2-CD2 3.44Å; I85-F120 VanDerWaalsContact CG2-CD2 3.44Å; I85-F120 HydrophobicContact CG2-CE2 3.74Å; F86-F120 PolarHBondContact O-N 3.32Å; V87-F120 HydrophobicContact CG1-CB 4.4Å; V87-F120 HydrophobicContact CG2-CB 4.37Å; V88-F120 PolarHBondContact N-O 3.28Å; L118-F120 HydrophobicContact CD2-CD2 4.19Å; L118-F120 HydrophobicContact CD2-CE1 4.11Å; L118-F120 HydrophobicContact CD2-CE2 3.66Å; L118-F120 HydrophobicContact CD2-CZ 3.62Å; F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.33Å; F120-N122 VanDerWaalsContact O-N 3.13Å; F120-Q152 HydrophobicContact CD1-CB 3.99Å; F120-Q152 HydrophobicContact CD1-CG 4.03Å; F120-Q152 HydrophobicContact CE1-CB 4.11Å; F120-Q152 HydrophobicContact CE1-CG 3.81Å; F120-C154 HydrophobicContact CD1-CB 3.9Å; F120-C154 VanDerWaalsContact CD1-SG 3.56Å; F120-C154 HydrophobicContact CE1-CB 4.35Å; F120-L162 HydrophobicContact CD1-CD2 4.34Å; F120-L162 HydrophobicContact CE1-CD2 4.01Å; F120-L162 HydrophobicContact CZ-CD2 4.12Å
121A98.9Very high97.9Very high0 Ų048.6 Ų48.60%024%0.239CC..EExtended strand (participates in β ladder)trans-80.383.516900000108C90 V119 Q124 V135 V151 Q152 C154C90-A121 WeakPolarHBondContact SG-CA 3.3Å; C90-A121 VanDerWaalsContact SG-CB 3.58Å; V119-A121 PolarHBondContact O-N 2.87Å; A121-Q124 VanDerWaalsContact O-CG 3.3Å; A121-Q124 WeakPolarHBondContact O-CG 3.49Å; A121-Q124 PolarHBondContact O-NE2 3.35Å; A121-V135 HydrophobicContact CB-CG2 4.22Å; A121-V151 HydrophobicContact CB-CG1 3.81Å; A121-Q152 PolarHBondContact N-O 3.03Å; A121-C154 PolarHBondContact O-N 3.07Å
122N98.9Very high97.9Very high4 Ų446.8 Ų46.82%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-85162.5-168.3-170.534.4000112.9A24 V87 V88 C90 F120 C154 A156A24-N122 PolarHBondContact O-ND2 3.03Å; V87-N122 HydrophobicContact CG1-CB 3.94Å; V88-N122 WeakPolarHBondContact O-CA 3.45Å; V88-N122 VanDerWaalsContact O-CB 3.31Å; V88-N122 WeakPolarHBondContact O-CB 3.25Å; V88-N122 PolarHBondContact O-N 3.43Å; C90-N122 WeakPolarHBondContact CB-O 3.35Å; C90-N122 PolarHBondContact N-O 3.15Å; C90-N122 PolarHBondContact SG-O 2.62Å; C90-N122 VanDerWaalsContact SG-O 3.37Å; F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.33Å; F120-N122 VanDerWaalsContact O-N 3.13Å; N122-C154 CarbonylContact C-O 3.48Å; N122-C154 WeakPolarHBondContact CA-O 3.42Å; N122-C154 VanDerWaalsContact CA-SG 3.56Å; N122-A156 PolarHBondContact OD1-N 2.76Å
123K98.5Very high97.9Very high55 Ų5553 Ų5324%0.23926%0.262CS..  trans6837.6-179.7-44.7-164.8-164.8172.90113.7A23 D89 D125 V126 A129 C154A23-K123 WeakPolarHBondContact O-CE 3.49Å; A23-K123 PolarHBondContact O-NZ 2.86Å; D89-K123 VanDerWaalsContact CG-CE 3.48Å; D89-K123 VanDerWaalsContact CG-NZ 3.33Å; D89-K123 VanDerWaalsContact OD1-CD 3.27Å; D89-K123 WeakPolarHBondContact OD1-CD 3.48Å; D89-K123 IonicContact OD1-NZ 2.71Å; D89-K123 VanDerWaalsContact OD2-CE 3.29Å; D89-K123 WeakPolarHBondContact OD2-CE 3.12Å; D89-K123 IonicContact OD2-NZ 3.1Å; D89-K123 PolarHBondContact OD2-NZ 3.22Å; K123-D125 VanDerWaalsContact C-OD1 3.25Å; K123-D125 VanDerWaalsContact CA-OD1 3.26Å; K123-D125 WeakPolarHBondContact CA-OD1 3.19Å; K123-D125 PolarHBondContact O-N 3.32Å; K123-V126 HydrophobicContact CB-CG2 4.17Å; K123-V126 WeakPolarHBondContact O-CB 3.37Å; K123-V126 PolarHBondContact O-N 2.83Å; K123-V126 VanDerWaalsContact O-N 3.09Å; K123-A129 WeakPolarHBondContact O-CB 3.31Å; K123-C154 PolarHBondContact N-O 3.47Å; K123-C154 VanDerWaalsContact N-O 3.13Å
124Q98.6Very high98.1Very high41 Ų4146.5 Ų46.519%0.19224%0.239CC..THydrogen-bonded Turntrans-67.3-9177.3-66.6-63.8-57.700114.1C90 A121 V126 M130 P153 C154C90-Q124 PolarHBondContact SG-NE2 3.26Å; A121-Q124 VanDerWaalsContact O-CG 3.3Å; A121-Q124 WeakPolarHBondContact O-CG 3.49Å; A121-Q124 PolarHBondContact O-NE2 3.35Å; Q124-V126 VanDerWaalsContact C-N 3.26Å; Q124-M130 PolarHBondContact NE2-O 3.37Å; Q124-P153 HydrophobicContact CG-CB 3.91Å; Q124-C154 PolarHBondContact N-O 3.23Å
125D98.1Very high98.3Very high107 Ų10739.5 Ų39.557%0.57220%0.202SC*.THydrogen-bonded Turntrans-71-18169.556.5-63.2000113.3K123 C155K123-D125 VanDerWaalsContact C-OD1 3.25Å; K123-D125 VanDerWaalsContact CA-OD1 3.26Å; K123-D125 WeakPolarHBondContact CA-OD1 3.19Å; K123-D125 PolarHBondContact O-N 3.32Å; D125-C155 VanDerWaalsContact CG-SG 3.57Å; D125-C155 PolarHBondContact OD1-SG 3Å
126V98.1Very high98.3Very high56 Ų5643 Ų4334%0.33922%0.218SC..SBendtrans-81129.8176.3-1790000110A91 K123 Q124 E128 A129A91-V126 HydrophobicContact CB-CB 4.22Å; A91-V126 HydrophobicContact CB-CG1 3.92Å; A91-V126 HydrophobicContact CB-CG2 4.29Å; K123-V126 HydrophobicContact CB-CG2 4.17Å; K123-V126 WeakPolarHBondContact O-CB 3.37Å; K123-V126 PolarHBondContact O-N 2.83Å; K123-V126 VanDerWaalsContact O-N 3.09Å; Q124-V126 VanDerWaalsContact C-N 3.26Å; V126-E128 VanDerWaalsContact C-N 3.35Å; V126-E128 PolarHBondContact O-N 3.43Å; V126-A129 HydrophobicContact CB-CB 4.24Å; V126-A129 WeakPolarHBondContact O-CB 2.94Å; V126-A129 PolarHBondContact O-N 2.91Å
127V95.4Very high98.3Very high121 Ų12149.6 Ų49.673%0.73325%0.248SC*.THydrogen-bonded Turntrans-54.4-47.5-174.3178.30000112.4A129V127-A129 VanDerWaalsContact C-N 3.27Å; V127-A129 PolarHBondContact O-N 3.49Å
128E95.6Very high98.3Very high136 Ų13653.1 Ų53.164%0.63626%0.263SS*.THydrogen-bonded Turntrans-85.98.7-177.4-62.7-56.4128.700114.2R93 V126 M130R93-E128 PolarHBondContact NE-O 3.01Å; R93-E128 PolarHBondContact NH2-O 3.49Å; V126-E128 VanDerWaalsContact C-N 3.35Å; V126-E128 PolarHBondContact O-N 3.43Å; E128-M130 PolarHBondContact O-N 3.33Å
129A98.5Very high98.3Very high2 Ų253.1 Ų53.12%0.01726%0.263CS..PPolyproline II helixtrans-59.6130.1-179.900000111.6C90 K123 V126 V127 K131C90-A129 HydrophobicContact CB-CB 3.81Å; C90-A129 CarbonylContact O-C 3.56Å; C90-A129 WeakPolarHBondContact O-CA 3.37Å; K123-A129 WeakPolarHBondContact O-CB 3.31Å; V126-A129 HydrophobicContact CB-CB 4.24Å; V126-A129 WeakPolarHBondContact O-CB 2.94Å; V126-A129 PolarHBondContact O-N 2.91Å; V127-A129 VanDerWaalsContact C-N 3.27Å; V127-A129 PolarHBondContact O-N 3.49Å; A129-K131 PolarHBondContact O-N 3.37Å
130M98.8Very high98.3Very high0 Ų053.6 Ų53.60%027%0.268CS..PPolyproline II helixtrans-51.6127.6169.6-67.1179.7-77.900110C90 R93 I96 Q124 E128 E134 V135 K138C90-M130 HydrophobicContact CB-CB 4.18Å; C90-M130 WeakPolarHBondContact CB-O 3.46Å; C90-M130 PolarHBondContact O-N 3.14Å; C90-M130 PolarHBondContact SG-O 2.92Å; R93-M130 HydrophobicContact CG-CE 4.28Å; R93-M130 HydrophobicContact CG-CG 3.95Å; R93-M130 HydrophobicContact CG-SD 4.09Å; I96-M130 HydrophobicContact CB-CE 4.12Å; I96-M130 HydrophobicContact CB-SD 4.29Å; I96-M130 HydrophobicContact CD1-CE 4.01Å; I96-M130 HydrophobicContact CD1-SD 4.39Å; I96-M130 HydrophobicContact CG1-CE 4.11Å; I96-M130 HydrophobicContact CG1-SD 4.04Å; Q124-M130 PolarHBondContact NE2-O 3.37Å; E128-M130 PolarHBondContact O-N 3.33Å; M130-E134 WeakPolarHBondContact CA-OE2 3.39Å; M130-E134 HydrophobicContact CB-CB 4.44Å; M130-E134 HydrophobicContact CB-CG 4.32Å; M130-E134 HydrophobicContact CG-CG 4.31Å; M130-V135 HydrophobicContact CB-CG2 3.8Å; M130-K138 HydrophobicContact SD-CD 3.64Å
131K98.3Very high98.3Very high89 Ų8953.6 Ų53.639%0.38727%0.268SS..PPolyproline II helixtrans-76.3158.9178.1-58.6-52.8178-162.90110.3A129 H133 E134 V135A129-K131 PolarHBondContact O-N 3.37Å; K131-H133 VanDerWaalsContact C-N 3.26Å; K131-H133 PolarHBondContact O-N 2.68Å; K131-H133 VanDerWaalsContact O-N 3.11Å; K131-E134 WeakPolarHBondContact O-CA 3.39Å; K131-E134 WeakPolarHBondContact O-CB 3.49Å; K131-E134 PolarHBondContact O-N 2.71Å; K131-V135 PolarHBondContact O-N 3.49Å
132P98.5Very high98.2Very high34 Ų3457 Ų5722%0.22130%0.296CS..Hα-helixtrans-52-38.3-175.7-32.738.1000115.3V135 Q136 V151 P153P132-V135 PolarHBondContact O-N 3.33Å; P132-Q136 WeakPolarHBondContact O-CB 3.33Å; P132-Q136 PolarHBondContact O-N 2.92Å; P132-V151 HydrophobicContact CB-CG1 3.91Å; P132-P153 HydrophobicContact CG-CB 3.62Å; P132-P153 HydrophobicContact CG-CG 3.84Å
133H98.2Very high98Very high130 Ų13066.5 Ų66.560%0.60233%0.332SS*.Hα-helixtrans-65.4-39.6177.271.1-90.2000112.2K131 Q136 E137K131-H133 VanDerWaalsContact C-N 3.26Å; K131-H133 PolarHBondContact O-N 2.68Å; K131-H133 VanDerWaalsContact O-N 3.11Å; H133-Q136 WeakPolarHBondContact O-CB 3.31Å; H133-Q136 PolarHBondContact O-N 3.13Å; H133-E137 PolarHBondContact O-N 3.37Å
134E98.7Very high97.9Very high38 Ų3864.5 Ų64.518%0.17832%0.324CS..Hα-helixtrans-67.2-42.1176.9-176-178.6-177.800110.6R93 M130 K131 E137 K138R93-E134 IonicContact CZ-OE1 2.62Å; R93-E134 IonicContact CZ-OE2 3.67Å; R93-E134 IonicContact NH1-OE1 3.71Å; R93-E134 PolarHBondContact NH1-OE1 2.92Å; R93-E134 IonicContact NH1-OE2 3.69Å; R93-E134 IonicContact NH2-OE1 2.67Å; R93-E134 IonicContact NH2-OE2 3.02Å; R93-E134 PolarHBondContact NH2-OE2 3.06Å; M130-E134 WeakPolarHBondContact CA-OE2 3.39Å; M130-E134 HydrophobicContact CB-CB 4.44Å; M130-E134 HydrophobicContact CB-CG 4.32Å; M130-E134 HydrophobicContact CG-CG 4.31Å; K131-E134 WeakPolarHBondContact O-CA 3.39Å; K131-E134 WeakPolarHBondContact O-CB 3.49Å; K131-E134 PolarHBondContact O-N 2.71Å; E134-E137 PolarHBondContact O-N 3.12Å; E134-K138 HydrophobicContact CG-CD 3.99Å; E134-K138 HydrophobicContact CG-CG 4.37Å; E134-K138 WeakPolarHBondContact O-CB 3.49Å; E134-K138 WeakPolarHBondContact O-CG 3.48Å; E134-K138 PolarHBondContact O-N 3.01Å; E134-K138 WeakPolarHBondContact OE1-CE 3.37Å
135V98.8Very high97.4Very high0 Ų073.4 Ų73.40%036%0.356CS..Hα-helixtrans-60.9-45.4174.2176.40000110.7V88 V119 A121 M130 K131 P132 E137 K138 L139 V151V88-V135 HydrophobicContact CB-CG1 4.46Å; V88-V135 HydrophobicContact CG1-CG1 4.36Å; V88-V135 HydrophobicContact CG2-CG1 4.37Å; V119-V135 HydrophobicContact CG1-CG1 4.21Å; A121-V135 HydrophobicContact CB-CG2 4.22Å; M130-V135 HydrophobicContact CB-CG2 3.8Å; K131-V135 PolarHBondContact O-N 3.49Å; P132-V135 PolarHBondContact O-N 3.33Å; V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 2.9Å; V135-K138 PolarHBondContact O-N 2.92Å; V135-L139 HydrophobicContact CG1-CD1 3.61Å; V135-L139 HydrophobicContact CG1-CG 4.06Å; V135-L139 VanDerWaalsContact O-CB 3.26Å; V135-L139 WeakPolarHBondContact O-CB 3.4Å; V135-L139 VanDerWaalsContact O-CG 3.23Å; V135-L139 WeakPolarHBondContact O-CG 3.2Å; V135-L139 PolarHBondContact O-N 3.4Å; V135-V151 HydrophobicContact CG1-CG1 4.42Å
136Q98.7Very high97Very high76 Ų7676.9 Ų76.936%0.35537%0.369SS..Hα-helixtrans-57-45.6176.9178.5-176.5-51.500111.9P132 H133 G140 L141 W149 V151P132-Q136 WeakPolarHBondContact O-CB 3.33Å; P132-Q136 PolarHBondContact O-N 2.92Å; H133-Q136 WeakPolarHBondContact O-CB 3.31Å; H133-Q136 PolarHBondContact O-N 3.13Å; Q136-G140 PolarHBondContact O-N 2.93Å; Q136-L141 HydrophobicContact CB-CD1 4.35Å; Q136-L141 HydrophobicContact CG-CB 4.13Å; Q136-L141 HydrophobicContact CG-CD1 4.16Å; Q136-L141 HydrophobicContact CG-CG 4.45Å; Q136-L141 PolarHBondContact O-N 2.88Å; Q136-L141 VanDerWaalsContact O-N 3.15Å; Q136-W149 VanDerWaalsContact CD-CH2 3.44Å; Q136-W149 HydrophobicContact CG-CH2 3.83Å; Q136-W149 HydrophobicContact CG-CZ3 3.91Å; Q136-V151 HydrophobicContact CB-CG2 4.11Å
137E98.7Very high96.9Very high152 Ų15276.2 Ų76.271%0.7136%0.36SS*.Hα-helixtrans-65.4-53.1178.3-173.6-174.9161.200111.4H133 E134 V135 L139 G140H133-E137 PolarHBondContact O-N 3.37Å; E134-E137 PolarHBondContact O-N 3.12Å; V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 2.9Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.27Å; E137-G140 WeakPolarHBondContact O-CA 3.18Å; E137-G140 PolarHBondContact O-N 3.11Å
138K98.8Very high97Very high74 Ų7473.7 Ų73.732%0.32234%0.342SS..Hα-helixtrans-65.6-33.9-175.8-72.7-177.5176.4-72.40113.3I96 R100 M130 E134 V135 G140I96-K138 HydrophobicContact CB-CD 4.43Å; I96-K138 HydrophobicContact CD1-CB 4.43Å; I96-K138 HydrophobicContact CG1-CB 3.62Å; I96-K138 HydrophobicContact CG1-CD 3.82Å; I96-K138 HydrophobicContact CG1-CG 4.36Å; I96-K138 HydrophobicContact CG2-CD 3.92Å; R100-K138 VanDerWaalsContact CD-O 3.31Å; R100-K138 WeakPolarHBondContact CD-O 3.4Å; R100-K138 PolarHBondContact NH1-O 3.31Å; M130-K138 HydrophobicContact SD-CD 3.64Å; E134-K138 HydrophobicContact CG-CD 3.99Å; E134-K138 HydrophobicContact CG-CG 4.37Å; E134-K138 WeakPolarHBondContact O-CB 3.49Å; E134-K138 WeakPolarHBondContact O-CG 3.48Å; E134-K138 PolarHBondContact O-N 3.01Å; E134-K138 WeakPolarHBondContact OE1-CE 3.37Å; V135-K138 PolarHBondContact O-N 2.92Å; K138-G140 PolarHBondContact O-N 3.49Å
139L98.8Very high97.1Very high0 Ų070.1 Ų70.10%032%0.323CS..THydrogen-bonded Turntrans-74.9-10.3171.2-66.7-179.4000113V88 I96 A99 R100 L103 H104 V119 V135 E137 L141V88-L139 HydrophobicContact CG2-CD1 4.02Å; V88-L139 HydrophobicContact CG2-CD2 4.39Å; I96-L139 HydrophobicContact CD1-CD2 3.93Å; I96-L139 HydrophobicContact CD1-CG 4.38Å; A99-L139 HydrophobicContact CB-CD2 4.31Å; R100-L139 HydrophobicContact CB-CD2 4.3Å; L103-L139 HydrophobicContact CD2-CB 4.14Å; L103-L139 HydrophobicContact CD2-CD1 4.09Å; L103-L139 HydrophobicContact CD2-CD2 4.44Å; L103-L139 HydrophobicContact CD2-CG 4.47Å; H104-L139 PolarHBondContact CD2-O 3.18Å; H104-L139 PolarHBondContact NE2-O 3.48Å; V119-L139 HydrophobicContact CG1-CD1 3.84Å; V119-L139 HydrophobicContact CG2-CD1 4.28Å; V135-L139 HydrophobicContact CG1-CD1 3.61Å; V135-L139 HydrophobicContact CG1-CG 4.06Å; V135-L139 VanDerWaalsContact O-CB 3.26Å; V135-L139 WeakPolarHBondContact O-CB 3.4Å; V135-L139 VanDerWaalsContact O-CG 3.23Å; V135-L139 WeakPolarHBondContact O-CG 3.2Å; V135-L139 PolarHBondContact O-N 3.4Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.27Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 HydrophobicContact CB-CD2 3.91Å; L139-L141 HydrophobicContact CB-CG 3.98Å; L139-L141 HydrophobicContact CD1-CD2 4.36Å; L139-L141 PolarHBondContact O-N 3.18Å
140G98.5Very high97.1Very high11 Ų1174.2 Ų74.211%0.11334%0.339CS..THydrogen-bonded Turntrans64.235.1179.400000113.4Q136 E137 K138 A142 R143Q136-G140 PolarHBondContact O-N 2.93Å; E137-G140 WeakPolarHBondContact O-CA 3.18Å; E137-G140 PolarHBondContact O-N 3.11Å; K138-G140 PolarHBondContact O-N 3.49Å; G140-A142 PolarHBondContact O-N 2.79Å; G140-R143 VanDerWaalsContact O-CB 3.31Å; G140-R143 WeakPolarHBondContact O-CB 3.29Å; G140-R143 PolarHBondContact O-N 3.21Å
141L98.5Very high97.1Very high0 Ų074.7 Ų74.70%034%0.341CS..G310 helixtrans-62.7-29.4-175-60.4-174.9000113L103 V119 Q136 L139 R143 L144 W149 V151L103-L141 HydrophobicContact CD2-CD2 3.47Å; L103-L141 VanDerWaalsContact CD2-CD2 3.47Å; V119-L141 HydrophobicContact CG2-CD1 4.16Å; Q136-L141 HydrophobicContact CB-CD1 4.35Å; Q136-L141 HydrophobicContact CG-CB 4.13Å; Q136-L141 HydrophobicContact CG-CD1 4.16Å; Q136-L141 HydrophobicContact CG-CG 4.45Å; Q136-L141 PolarHBondContact O-N 2.88Å; Q136-L141 VanDerWaalsContact O-N 3.15Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 HydrophobicContact CB-CD2 3.91Å; L139-L141 HydrophobicContact CB-CG 3.98Å; L139-L141 HydrophobicContact CD1-CD2 4.36Å; L139-L141 PolarHBondContact O-N 3.18Å; L141-R143 PolarHBondContact O-N 2.99Å; L141-L144 HydrophobicContact CD2-CD1 4.09Å; L141-L144 WeakPolarHBondContact O-CB 3.41Å; L141-L144 PolarHBondContact O-N 3.34Å; L141-W149 HydrophobicContact CB-CD2 3.89Å; L141-W149 HydrophobicContact CB-CE3 4.11Å; L141-W149 HydrophobicContact CB-CG 4.47Å; L141-W149 HydrophobicContact CB-CH2 4.24Å; L141-W149 HydrophobicContact CB-CZ2 3.99Å; L141-W149 HydrophobicContact CB-CZ3 4.28Å; L141-W149 HydrophobicContact CD1-CD2 4.11Å; L141-W149 HydrophobicContact CD1-CE3 3.67Å; L141-W149 HydrophobicContact CD1-CZ3 4.06Å; L141-W149 PolarHBondContact O-NE1 3.49Å; L141-V151 HydrophobicContact CD1-CG2 3.4Å
142A96.7Very high97.1Very high71 Ų7171.2 Ų71.259%0.58733%0.326SS*.G310 helixtrans-60.5-17.5174.900000113.7G140 L144G140-A142 PolarHBondContact O-N 2.79Å; A142-L144 VanDerWaalsContact C-N 3.29Å
143R95.8Very high97.2Very high203 Ų20371.9 Ų71.977%0.76633%0.331SS*.G310 helixtrans-75.5-18.9173.3-59.7-177177.8-169.3-0.5112.4G140 L141 R145G140-R143 VanDerWaalsContact O-CB 3.31Å; G140-R143 WeakPolarHBondContact O-CB 3.29Å; G140-R143 PolarHBondContact O-N 3.21Å; L141-R143 PolarHBondContact O-N 2.99Å; R143-R145 PolarHBondContact O-N 2.94Å; R143-R145 VanDerWaalsContact O-N 3.09Å
144L96Very high97.2Very high13 Ų1365.8 Ų65.87%0.06830%0.303CS..  trans-8753.9-179.6-51.2-179000111.3V107 I117 L141 A142 E146 R147V107-L144 HydrophobicContact CG2-CD1 4.16Å; V107-L144 HydrophobicContact CG2-CD2 3.72Å; I117-L144 HydrophobicContact CD1-CD1 4.01Å; L141-L144 HydrophobicContact CD2-CD1 4.09Å; L141-L144 WeakPolarHBondContact O-CB 3.41Å; L141-L144 PolarHBondContact O-N 3.34Å; A142-L144 VanDerWaalsContact C-N 3.29Å; L144-E146 VanDerWaalsContact C-N 3.25Å; L144-E146 PolarHBondContact O-N 2.88Å; L144-E146 VanDerWaalsContact O-N 3.13Å; L144-R147 HydrophobicContact CB-CB 3.93Å; L144-R147 HydrophobicContact CB-CG 3.99Å; L144-R147 PolarHBondContact O-N 3.33Å
145R88.4Confident97.2Very high229 Ų22964.4 Ų64.486%0.86430%0.297SS*.THydrogen-bonded Turntrans-56.3-32.9-168.3-66.9-177.3177.5178.9-1114.9R143R143-R145 PolarHBondContact O-N 2.94Å; R143-R145 VanDerWaalsContact O-N 3.09Å
146E90Very high97.2Very high180 Ų18064.7 Ų64.784%0.84130%0.3SS*.THydrogen-bonded Turntrans-97.28.4-177.4-60.5-176.9176.800113.1L144L144-E146 VanDerWaalsContact C-N 3.25Å; L144-E146 PolarHBondContact O-N 2.88Å; L144-E146 VanDerWaalsContact O-N 3.13Å
147R95.7Very high97Very high42 Ų4263.7 Ų63.716%0.15830%0.304CS..SBendtrans-111.2137.6-174.5-55.2-60.7-62.7-85.8-5.8110.3V107 M112 R113 A115 I117 L144 W149V107-R147 PolarHBondContact O-NH1 3.41Å; M112-R147 PolarHBondContact O-NH2 3.29Å; R113-R147 VanDerWaalsContact O-CZ 3.22Å; R113-R147 PolarHBondContact O-NE 3.38Å; R113-R147 VanDerWaalsContact O-NE 3.08Å; R113-R147 PolarHBondContact O-NH2 2.92Å; A115-R147 PolarHBondContact O-NH2 2.62Å; I117-R147 HydrophobicContact CD1-CB 4.01Å; L144-R147 HydrophobicContact CB-CB 3.93Å; L144-R147 HydrophobicContact CB-CG 3.99Å; L144-R147 PolarHBondContact O-N 3.33Å; R147-W149 VanDerWaalsContact O-CD1 3.26Å; R147-W149 PolarHBondContact O-N 2.92Å
148N96.4Very high96.9Very high67 Ų6759 Ų5936%0.35829%0.288SS..  trans-83.2113172.4-167.21.5000109.2V116 I117 W168 N172V116-N148 HydrophobicContact CG1-CB 4.28Å; I117-N148 PolarHBondContact N-O 2.91Å; N148-W168 WeakPolarHBondContact OD1-CZ2 3.02Å; N148-N172 WeakPolarHBondContact ND2-CB 3.27Å; N148-N172 PolarHBondContact ND2-OD1 2.94Å
149W98.3Very high96.9Very high62 Ų6256.2 Ų56.224%0.23528%0.281CS..EExtended strand (participates in β ladder)trans-134.9155.2-18058.6-99.9000111.9I117 Q136 L141 R147 V151I117-W149 HydrophobicContact CB-CB 3.84Å; I117-W149 HydrophobicContact CD1-CB 4.46Å; I117-W149 HydrophobicContact CG2-CB 4.32Å; I117-W149 CarbonylContact O-C 3.55Å; I117-W149 WeakPolarHBondContact O-CA 3.41Å; Q136-W149 VanDerWaalsContact CD-CH2 3.44Å; Q136-W149 HydrophobicContact CG-CH2 3.83Å; Q136-W149 HydrophobicContact CG-CZ3 3.91Å; L141-W149 HydrophobicContact CB-CD2 3.89Å; L141-W149 HydrophobicContact CB-CE3 4.11Å; L141-W149 HydrophobicContact CB-CG 4.47Å; L141-W149 HydrophobicContact CB-CH2 4.24Å; L141-W149 HydrophobicContact CB-CZ2 3.99Å; L141-W149 HydrophobicContact CB-CZ3 4.28Å; L141-W149 HydrophobicContact CD1-CD2 4.11Å; L141-W149 HydrophobicContact CD1-CE3 3.67Å; L141-W149 HydrophobicContact CD1-CZ3 4.06Å; L141-W149 PolarHBondContact O-NE1 3.49Å; R147-W149 VanDerWaalsContact O-CD1 3.26Å; R147-W149 PolarHBondContact O-N 2.92Å; W149-V151 HydrophobicContact CE3-CG2 4.47Å; W149-V151 HydrophobicContact CZ3-CG2 4.46Å
150Y98.7Very high96.9Very high88 Ų8861.4 Ų61.435%0.34531%0.308SS..EExtended strand (participates in β ladder)trans-149.7142.4174.3177.8-114.7000111I117 L118 V119 Q152 W168I117-Y150 PolarHBondContact O-N 3.41Å; L118-Y150 HydrophobicContact CD1-CD1 3.92Å; V119-Y150 PolarHBondContact N-O 3.43Å; Y150-Q152 HydrophobicContact CD1-CB 4.2Å; Y150-Q152 HydrophobicContact CE1-CB 3.84Å; Y150-Q152 VanDerWaalsContact CE1-OE1 3.28Å; Y150-Q152 PolarHBondContact OH-OE1 2.91Å; Y150-W168 HydrophobicContact CD1-CB 4Å; Y150-W168 AromaticContact CD1-CD1 3.72Å; Y150-W168 AromaticContact CD1-CD2 3.93Å; Y150-W168 HydrophobicContact CD1-CD2 3.93Å; Y150-W168 AromaticContact CD1-CG 3.61Å; Y150-W168 HydrophobicContact CD1-CG 3.61Å; Y150-W168 HydrophobicContact CE1-CB 4.35Å; Y150-W168 HydrophobicContact CE1-CG 4.3Å; Y150-W168 AromaticContact CG-CD1 3.71Å; Y150-W168 HydrophobicContact CG-CD2 4.02Å; Y150-W168 AromaticContact CG-CE2 3.88Å; Y150-W168 AromaticContact CG-CG 3.96Å; Y150-W168 HydrophobicContact CG-CG 3.96Å; Y150-W168 AromaticContact CG-NE1 3.66Å
151V98.9Very high96.9Very high10 Ų1061.3 Ų61.36%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-104.7112.8176.1-173.60000108.6V119 A121 P132 V135 Q136 L141 W149V119-V151 HydrophobicContact CB-CG1 4.46Å; V119-V151 HydrophobicContact CB-CG2 4.17Å; V119-V151 HydrophobicContact CG1-CG1 4.38Å; V119-V151 CarbonylContact O-C 3.51Å; V119-V151 WeakPolarHBondContact O-CA 3.43Å; A121-V151 HydrophobicContact CB-CG1 3.81Å; P132-V151 HydrophobicContact CB-CG1 3.91Å; V135-V151 HydrophobicContact CG1-CG1 4.42Å; Q136-V151 HydrophobicContact CB-CG2 4.11Å; L141-V151 HydrophobicContact CD1-CG2 3.4Å; W149-V151 HydrophobicContact CE3-CG2 4.47Å; W149-V151 HydrophobicContact CZ3-CG2 4.46Å
152Q98.9Very high96.9Very high15 Ų1561.4 Ų61.47%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-102.1114.7177178.757.554.100109.6L118 V119 F120 A121 Y150 C154 G161L118-Q152 HydrophobicContact CD1-CB 3.91Å; V119-Q152 PolarHBondContact O-N 3.03Å; F120-Q152 HydrophobicContact CD1-CB 3.99Å; F120-Q152 HydrophobicContact CD1-CG 4.03Å; F120-Q152 HydrophobicContact CE1-CB 4.11Å; F120-Q152 HydrophobicContact CE1-CG 3.81Å; A121-Q152 PolarHBondContact N-O 3.03Å; Y150-Q152 HydrophobicContact CD1-CB 4.2Å; Y150-Q152 HydrophobicContact CE1-CB 3.84Å; Y150-Q152 VanDerWaalsContact CE1-OE1 3.28Å; Y150-Q152 PolarHBondContact OH-OE1 2.91Å; Q152-C154 PolarHBondContact O-N 2.81Å; Q152-G161 WeakPolarHBondContact CG-O 3.16Å
153P98.8Very high97Very high48 Ų4862.7 Ų62.731%0.31230%0.302SS..EExtended strand (participates in β ladder)trans-59.8136.1166.922.4-30000110Q124 P132 G161Q124-P153 HydrophobicContact CG-CB 3.91Å; P132-P153 HydrophobicContact CG-CB 3.62Å; P132-P153 HydrophobicContact CG-CG 3.84Å; P153-G161 WeakPolarHBondContact O-CA 3.3Å
154C98.9Very high97.1Very high3 Ų357.6 Ų57.62%0.0229%0.287CS..  trans-150.7165.8175.570.80000113.8F120 A121 N122 K123 Q124 Q152 D160 L162F120-C154 HydrophobicContact CD1-CB 3.9Å; F120-C154 VanDerWaalsContact CD1-SG 3.56Å; F120-C154 HydrophobicContact CE1-CB 4.35Å; A121-C154 PolarHBondContact O-N 3.07Å; N122-C154 CarbonylContact C-O 3.48Å; N122-C154 WeakPolarHBondContact CA-O 3.42Å; N122-C154 VanDerWaalsContact CA-SG 3.56Å; K123-C154 PolarHBondContact N-O 3.47Å; K123-C154 VanDerWaalsContact N-O 3.13Å; Q124-C154 PolarHBondContact N-O 3.23Å; Q152-C154 PolarHBondContact O-N 2.81Å; C154-D160 CarbonylContact C-O 3.52Å; C154-D160 WeakPolarHBondContact CA-O 3.38Å; C154-D160 WeakPolarHBondContact CB-O 3.41Å; C154-L162 HydrophobicContact CB-CD2 3.74Å
155C98.6Very high97.2Very high8 Ų857 Ų575%0.05428%0.284CS..  trans-129.5112.3164174.70000108.8D125 A157 S158 G159 D160D125-C155 VanDerWaalsContact CG-SG 3.57Å; D125-C155 PolarHBondContact OD1-SG 3Å; C155-A157 PolarHBondContact O-N 2.91Å; C155-S158 WeakPolarHBondContact CB-OG 3.15Å; C155-S158 PolarHBondContact O-N 2.99Å; C155-S158 PolarHBondContact SG-N 3.13Å; C155-G159 WeakPolarHBondContact O-CA 3.41Å; C155-G159 PolarHBondContact O-N 3.44Å; C155-D160 PolarHBondContact N-O 3.4Å; C155-D160 PolarHBondContact O-N 3.27Å
156A98.3Very high97.7Very high6 Ų646.1 Ų46.15%0.0524%0.243CC..THydrogen-bonded Turntrans-60.1-31.3179.300000113T28 I29 K32 N122T28-A156 HydrophobicContact CG2-CB 3.78Å; I29-A156 HydrophobicContact CD1-CB 4.44Å; I29-A156 HydrophobicContact CG1-CB 3.49Å; I29-A156 VanDerWaalsContact CG1-CB 3.49Å; K32-A156 WeakPolarHBondContact CG-O 3.36Å; N122-A156 PolarHBondContact OD1-N 2.76Å
157A96Very high98Very high55 Ų5541.6 Ų41.646%0.45522%0.223SC..THydrogen-bonded Turntrans-73.3-47.1-177.700000112.2K32 S38 C155K32-A157 PolarHBondContact NZ-O 3.37Å; S38-A157 PolarHBondContact OG-O 2.93Å; C155-A157 PolarHBondContact O-N 2.91Å
158S96.8Very high98.2Very high54 Ų5441.4 Ų41.438%0.37822%0.222SC..THydrogen-bonded Turntrans-78.1-35.2177.465.20000112K32 C155 D160K32-S158 VanDerWaalsContact CE-C 3.42Å; K32-S158 WeakPolarHBondContact CE-O 3.38Å; K32-S158 PolarHBondContact NZ-O 3.2Å; C155-S158 WeakPolarHBondContact CB-OG 3.15Å; C155-S158 PolarHBondContact O-N 2.99Å; C155-S158 PolarHBondContact SG-N 3.13Å; S158-D160 WeakPolarHBondContact CB-OD2 3.26Å; S158-D160 PolarHBondContact OG-N 3.37Å; S158-D160 PolarHBondContact OG-OD2 3Å
159G97.9Very high98.2Very high16 Ų1638.2 Ų38.217%0.16521%0.205CC..  trans99.9-3.3-172.600000113.5C155 G161 L162C155-G159 WeakPolarHBondContact O-CA 3.41Å; C155-G159 PolarHBondContact O-N 3.44Å; G159-G161 PolarHBondContact O-N 3.21Å; G159-L162 WeakPolarHBondContact O-CG 3.12Å; G159-L162 PolarHBondContact O-N 3.48Å
160D98.5Very high98.1Very high108 Ų10836.8 Ų36.858%0.57820%0.203SC*.THydrogen-bonded Turntrans-60.3136-177.6-60-34000111C154 C155 S158 L162C154-D160 CarbonylContact C-O 3.52Å; C154-D160 WeakPolarHBondContact CA-O 3.38Å; C154-D160 WeakPolarHBondContact CB-O 3.41Å; C155-D160 PolarHBondContact N-O 3.4Å; C155-D160 PolarHBondContact O-N 3.27Å; S158-D160 WeakPolarHBondContact CB-OD2 3.26Å; S158-D160 PolarHBondContact OG-N 3.37Å; S158-D160 PolarHBondContact OG-OD2 3Å; D160-L162 PolarHBondContact O-N 2.98Å
161G98.7Very high97.9Very high10 Ų1037 Ų3710%0.10322%0.218CC..THydrogen-bonded Turntrans78.4-11.9177.200000115.3Q152 P153 G159 E164 G165Q152-G161 WeakPolarHBondContact CG-O 3.16Å; P153-G161 WeakPolarHBondContact O-CA 3.3Å; G159-G161 PolarHBondContact O-N 3.21Å; G161-E164 WeakPolarHBondContact CA-OE2 3.49Å; G161-E164 PolarHBondContact N-OE2 3.37Å; G161-G165 PolarHBondContact O-N 3.31Å; G161-G165 VanDerWaalsContact O-N 3.12Å
162L98.7Very high97.7Very high2 Ų239 Ų391%0.0123%0.228CC..Hα-helixtrans-68.9-42.1-175.2-59.5-174.6000112I29 K32 L33 F120 C154 G159 D160 G165 L166I29-L162 HydrophobicContact CB-CD2 4.46Å; I29-L162 HydrophobicContact CD1-CD2 4.24Å; I29-L162 HydrophobicContact CG1-CD2 3.93Å; I29-L162 HydrophobicContact CG2-CD1 4.36Å; I29-L162 HydrophobicContact CG2-CD2 3.93Å; K32-L162 HydrophobicContact CB-CD1 4Å; K32-L162 HydrophobicContact CG-CD1 3.79Å; L33-L162 HydrophobicContact CD2-CB 3.75Å; L33-L162 HydrophobicContact CD2-CD1 4.44Å; L33-L162 HydrophobicContact CG-CB 4.25Å; L33-L162 HydrophobicContact CG-CD1 4.2Å; F120-L162 HydrophobicContact CD1-CD2 4.34Å; F120-L162 HydrophobicContact CE1-CD2 4.01Å; F120-L162 HydrophobicContact CZ-CD2 4.12Å; C154-L162 HydrophobicContact CB-CD2 3.74Å; G159-L162 WeakPolarHBondContact O-CG 3.12Å; G159-L162 PolarHBondContact O-N 3.48Å; D160-L162 PolarHBondContact O-N 2.98Å; L162-G165 PolarHBondContact O-N 3.48Å; L162-L166 PolarHBondContact O-N 3.19Å; L162-L166 VanDerWaalsContact O-N 3.11Å
163H98.2Very high97.4Very high97 Ų9738.6 Ų38.645%0.44923%0.227SC..Hα-helixtrans-71.6-32.4179.7-74.6-66.3000112.6Y54 G165 L166 M167Y54-H163 AromaticContact CD2-ND1 3.49Å; Y54-H163 WeakPolarHBondContact CD2-ND1 3.04Å; Y54-H163 HydrophobicContact CE2-CB 4.04Å; Y54-H163 AromaticContact CE2-ND1 3.61Å; H163-G165 VanDerWaalsContact C-N 3.34Å; H163-L166 PolarHBondContact O-N 3.47Å; H163-M167 WeakPolarHBondContact O-CB 3.39Å; H163-M167 PolarHBondContact O-N 2.95Å
164E98.6Very high96.2Very high96 Ų9645.3 Ų45.345%0.44925%0.251SS..Hα-helixtrans-64.1-41.1173-66.875.1-171.300110.7G161 M167 W168G161-E164 WeakPolarHBondContact CA-OE2 3.49Å; G161-E164 PolarHBondContact N-OE2 3.37Å; E164-M167 WeakPolarHBondContact O-CB 3.34Å; E164-M167 PolarHBondContact O-N 2.82Å; E164-W168 PolarHBondContact O-N 3.29Å
165G98.7Very high94.3Very high0 Ų052 Ų520%030%0.298CS..Hα-helixtrans-61-46.1172.400000112.4G161 L162 H163 M167 W168 L169G161-G165 PolarHBondContact O-N 3.31Å; G161-G165 VanDerWaalsContact O-N 3.12Å; L162-G165 PolarHBondContact O-N 3.48Å; H163-G165 VanDerWaalsContact C-N 3.34Å; G165-M167 VanDerWaalsContact C-N 3.33Å; G165-M167 PolarHBondContact O-N 2.67Å; G165-W168 PolarHBondContact O-N 3.25Å; G165-L169 PolarHBondContact O-N 3.5Å
166L98.2Very high94.1Very high2 Ų254.3 Ų54.31%0.0131%0.31CS..Hα-helixtrans-64.1-38.8175-65.8-169.7000112.2L33 V52 Y54 F59 L162 H163 W168 L169 T170L33-L166 HydrophobicContact CD1-CD1 4.11Å; L33-L166 HydrophobicContact CD1-CD2 4.34Å; L33-L166 HydrophobicContact CD1-CG 4.36Å; L33-L166 HydrophobicContact CD2-CD1 3.66Å; L33-L166 HydrophobicContact CD2-CG 4.27Å; L33-L166 HydrophobicContact CG-CD1 4.46Å; V52-L166 HydrophobicContact CG1-CD1 4.09Å; Y54-L166 HydrophobicContact CD1-CB 4.17Å; Y54-L166 HydrophobicContact CD2-CB 4.41Å; Y54-L166 HydrophobicContact CD2-CD1 4.4Å; Y54-L166 HydrophobicContact CG-CB 4.07Å; Y54-L166 HydrophobicContact CG-CD1 4.2Å; F59-L166 HydrophobicContact CE1-CD2 4.43Å; F59-L166 HydrophobicContact CE2-CB 4.46Å; F59-L166 HydrophobicContact CE2-CD2 4.38Å; F59-L166 HydrophobicContact CZ-CB 4.48Å; F59-L166 HydrophobicContact CZ-CD2 4.31Å; L162-L166 PolarHBondContact O-N 3.19Å; L162-L166 VanDerWaalsContact O-N 3.11Å; H163-L166 PolarHBondContact O-N 3.47Å; L166-W168 VanDerWaalsContact C-N 3.34Å; L166-W168 PolarHBondContact O-N 3.02Å; L166-L169 HydrophobicContact CD2-CD1 4.21Å; L166-L169 WeakPolarHBondContact O-CB 3.49Å; L166-L169 PolarHBondContact O-N 2.94Å; L166-T170 WeakPolarHBondContact O-CG2 3.38Å; L166-T170 PolarHBondContact O-N 3.45Å
167M97.3Very high93.9Very high85 Ų8556.8 Ų56.842%0.41932%0.324SS..Hα-helixtrans-58.5-47.6174.9-170.9-172.5-5700110.7Y54 H163 E164 G165 L169 T170 S171Y54-M167 HydrophobicContact CE1-CB 4.21Å; Y54-M167 WeakPolarHBondContact OH-CE 3.24Å; H163-M167 WeakPolarHBondContact O-CB 3.39Å; H163-M167 PolarHBondContact O-N 2.95Å; E164-M167 WeakPolarHBondContact O-CB 3.34Å; E164-M167 PolarHBondContact O-N 2.82Å; G165-M167 VanDerWaalsContact C-N 3.33Å; G165-M167 PolarHBondContact O-N 2.67Å; M167-L169 VanDerWaalsContact C-N 3.33Å; M167-L169 PolarHBondContact O-N 3.25Å; M167-T170 PolarHBondContact O-N 2.83Å; M167-T170 PolarHBondContact O-OG1 2.91Å; M167-S171 PolarHBondContact O-N 3.09Å; M167-S171 VanDerWaalsContact O-N 3.14Å; M167-S171 PolarHBondContact O-OG 3.35Å
168W98.2Very high93.8Very high37 Ų3756.9 Ų56.914%0.1432%0.317CS..Hα-helixtrans-58.6-44.6176.2-177.689000111.6V116 I117 L118 N148 Y150 E164 G165 L166 T170 S171 N172V116-W168 HydrophobicContact CB-CH2 4.22Å; V116-W168 HydrophobicContact CB-CZ3 4.36Å; V116-W168 HydrophobicContact CG2-CZ3 4.27Å; I117-W168 WeakPolarHBondContact O-CH2 3.42Å; L118-W168 HydrophobicContact CB-CE3 4.11Å; L118-W168 HydrophobicContact CB-CZ3 3.96Å; L118-W168 HydrophobicContact CD1-CE3 4.01Å; N148-W168 WeakPolarHBondContact OD1-CZ2 3.02Å; Y150-W168 HydrophobicContact CD1-CB 4Å; Y150-W168 AromaticContact CD1-CD1 3.72Å; Y150-W168 AromaticContact CD1-CD2 3.93Å; Y150-W168 HydrophobicContact CD1-CD2 3.93Å; Y150-W168 AromaticContact CD1-CG 3.61Å; Y150-W168 HydrophobicContact CD1-CG 3.61Å; Y150-W168 HydrophobicContact CE1-CB 4.35Å; Y150-W168 HydrophobicContact CE1-CG 4.3Å; Y150-W168 AromaticContact CG-CD1 3.71Å; Y150-W168 HydrophobicContact CG-CD2 4.02Å; Y150-W168 AromaticContact CG-CE2 3.88Å; Y150-W168 AromaticContact CG-CG 3.96Å; Y150-W168 HydrophobicContact CG-CG 3.96Å; Y150-W168 AromaticContact CG-NE1 3.66Å; E164-W168 PolarHBondContact O-N 3.29Å; G165-W168 PolarHBondContact O-N 3.25Å; L166-W168 VanDerWaalsContact C-N 3.34Å; L166-W168 PolarHBondContact O-N 3.02Å; W168-T170 PolarHBondContact O-N 3.29Å; W168-S171 PolarHBondContact O-N 3.18Å; W168-N172 VanDerWaalsContact CD1-ND2 3.35Å; W168-N172 HydrophobicContact CD2-CB 4.47Å; W168-N172 VanDerWaalsContact CE2-ND2 3.32Å; W168-N172 HydrophobicContact CH2-CB 4.45Å; W168-N172 HydrophobicContact CZ2-CB 4.24Å; W168-N172 PolarHBondContact NE1-ND2 3.23Å; W168-N172 VanDerWaalsContact NE1-ND2 3.15Å; W168-N172 WeakPolarHBondContact O-CB 3.38Å; W168-N172 PolarHBondContact O-N 2.93Å; W168-N172 VanDerWaalsContact O-N 3.08Å; W168-N172 PolarHBondContact O-ND2 3.49Å
169L97.9Very high93.6Very high0 Ų057.1 Ų57.10%031%0.313CS..Hα-helixtrans-59.6-44.9175.1-71.9176.1000112.3F59 A83 I85 V116 L118 G165 L166 M167 S171 N172 C173F59-L169 HydrophobicContact CE1-CB 3.88Å; F59-L169 HydrophobicContact CE1-CD1 3.98Å; F59-L169 HydrophobicContact CZ-CB 4.15Å; A83-L169 HydrophobicContact CB-CD1 4.41Å; A83-L169 HydrophobicContact CB-CD2 3.69Å; I85-L169 HydrophobicContact CD1-CD1 3.89Å; I85-L169 HydrophobicContact CG1-CD1 3.95Å; V116-L169 HydrophobicContact CG2-CD2 3.67Å; L118-L169 HydrophobicContact CB-CD1 4.41Å; L118-L169 HydrophobicContact CB-CD2 3.81Å; L118-L169 HydrophobicContact CB-CG 4.13Å; L118-L169 HydrophobicContact CD2-CD1 3.81Å; L118-L169 HydrophobicContact CD2-CG 3.94Å; G165-L169 PolarHBondContact O-N 3.5Å; L166-L169 HydrophobicContact CD2-CD1 4.21Å; L166-L169 WeakPolarHBondContact O-CB 3.49Å; L166-L169 PolarHBondContact O-N 2.94Å; M167-L169 VanDerWaalsContact C-N 3.33Å; M167-L169 PolarHBondContact O-N 3.25Å; L169-S171 PolarHBondContact O-N 3.11Å; L169-N172 PolarHBondContact O-N 3.18Å; L169-C173 VanDerWaalsContact O-CB 3.31Å; L169-C173 WeakPolarHBondContact O-CB 3.37Å; L169-C173 PolarHBondContact O-N 3.25Å; L169-C173 PolarHBondContact O-SG 3.06Å; L169-C173 VanDerWaalsContact O-SG 3.39Å
170T94.8Very high93.3Very high32 Ų3259.6 Ų59.620%0.19632%0.323CS..Hα-helixtrans-60.4-34.1179.657.80000113Y54 V57 F59 L166 M167 W168Y54-T170 HydrophobicContact CD1-CG2 3.95Å; Y54-T170 HydrophobicContact CE1-CG2 4.39Å; V57-T170 HydrophobicContact CB-CG2 3.99Å; V57-T170 HydrophobicContact CG1-CG2 4.2Å; V57-T170 HydrophobicContact CG2-CG2 3.69Å; F59-T170 HydrophobicContact CE2-CG2 3.91Å; F59-T170 HydrophobicContact CZ-CG2 3.58Å; L166-T170 WeakPolarHBondContact O-CG2 3.38Å; L166-T170 PolarHBondContact O-N 3.45Å; M167-T170 PolarHBondContact O-N 2.83Å; M167-T170 PolarHBondContact O-OG1 2.91Å; W168-T170 PolarHBondContact O-N 3.29Å
171S94.8Very high93Very high94 Ų9456.4 Ų56.466%0.65731%0.306SS*.Hα-helixtrans-80.5-22.8179.8-600000113.6M167 W168 L169M167-S171 PolarHBondContact O-N 3.09Å; M167-S171 VanDerWaalsContact O-N 3.14Å; M167-S171 PolarHBondContact O-OG 3.35Å; W168-S171 PolarHBondContact O-N 3.18Å; L169-S171 PolarHBondContact O-N 3.11Å
172N95.9Very high92.6Very high50 Ų5059.7 Ų59.727%0.26732%0.32SS..Hα-helixtrans-110.4-23.6-171.9-73.5-82.6000114V116 N148 W168 L169 K174V116-N172 HydrophobicContact CG1-CB 4.43Å; N148-N172 WeakPolarHBondContact ND2-CB 3.27Å; N148-N172 PolarHBondContact ND2-OD1 2.94Å; W168-N172 VanDerWaalsContact CD1-ND2 3.35Å; W168-N172 HydrophobicContact CD2-CB 4.47Å; W168-N172 VanDerWaalsContact CE2-ND2 3.32Å; W168-N172 HydrophobicContact CH2-CB 4.45Å; W168-N172 HydrophobicContact CZ2-CB 4.24Å; W168-N172 PolarHBondContact NE1-ND2 3.23Å; W168-N172 VanDerWaalsContact NE1-ND2 3.15Å; W168-N172 WeakPolarHBondContact O-CB 3.38Å; W168-N172 PolarHBondContact O-N 2.93Å; W168-N172 VanDerWaalsContact O-N 3.08Å; W168-N172 PolarHBondContact O-ND2 3.49Å; L169-N172 PolarHBondContact O-N 3.18Å; N172-K174 PolarHBondContact O-N 2.62Å
173C90.8Very high92.1Very high8 Ų864.2 Ų64.25%0.05434%0.344CS..SBendtrans-74.3122.1171.5-70.20000110.3K12 L14 V116 L169K12-C173 PolarHBondContact NZ-O 3.36Å; L14-C173 HydrophobicContact CD1-CB 3.74Å; L14-C173 HydrophobicContact CD2-CB 3.72Å; L14-C173 HydrophobicContact CG-CB 4.41Å; V116-C173 WeakPolarHBondContact CG2-SG 3.33Å; L169-C173 VanDerWaalsContact O-CB 3.31Å; L169-C173 WeakPolarHBondContact O-CB 3.37Å; L169-C173 PolarHBondContact O-N 3.25Å; L169-C173 PolarHBondContact O-SG 3.06Å; L169-C173 VanDerWaalsContact O-SG 3.39Å
174K75.2Confident91.6Very high189 Ų18961.4 Ų61.482%0.82234%0.335SS*.  trans-63.9141.7167.5-62.7-178.8-176.2175.30109.6N172N172-K174 PolarHBondContact O-N 2.62Å
175S59.1Low91Very high144 Ų14458.3 Ų58.3100%1.00733%0.325SS*.  trans-72.10170.4-570000110.9K12K12-S175 WeakPolarHBondContact CD-OG 3.09Å; K12-S175 WeakPolarHBondContact CE-OG 3.41Å; K12-S175 PolarHBondContact NZ-OG 3.3Å

Retrieved 175 of 175 residues in 146.5 ms (Link to these results)

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