A0A060WD59_ONCMY Loading...

Golgi-associated plant pathogenesis-related protein 1

AlphaFold DB , UniProt , Accession A0A060WD59, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486042, Length 154 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
1M43.2Very low77.9Confident233 Ų23394.6 Ų94.6100%1.14854%0.536SS*.  0-2.80-69168.9-175.100115
2G59.5Low79.5Confident59 Ų5990.9 Ų90.961%0.60851%0.511SS*.Hα-helixtrans-78.9-23-167.200000119.8S6G2-S6 WeakPolarHBondContact O-CB 3.31Å; G2-S6 PolarHBondContact O-N 3.26Å
3K62.1Low81Confident194 Ų19483.9 Ų83.984%0.84347%0.472SS*.Hα-helixtrans-75.8-35.9-176-72.7-177180176.90113.7K7K3-K7 WeakPolarHBondContact O-CB 3.34Å; K3-K7 PolarHBondContact O-N 2.82Å; K3-K7 VanDerWaalsContact O-N 3.12Å
4S68.7Low82.3Confident93 Ų9380.4 Ų80.465%0.6545%0.451SS*.Hα-helixtrans-70.7-47-178.2-166.20000111.6S6 K7 Q8S4-S6 PolarHBondContact O-N 3.13Å; S4-K7 PolarHBondContact O-N 3.01Å; S4-K7 VanDerWaalsContact O-N 3.17Å; S4-Q8 PolarHBondContact O-N 3.27Å
5A71.7Confident83.4Confident58 Ų5887.1 Ų87.148%0.47947%0.466SS..Hα-helixtrans-62.4-39.7176.900000112.6K7 Q8 F9A5-K7 PolarHBondContact O-N 2.95Å; A5-Q8 PolarHBondContact O-N 3.15Å; A5-F9 WeakPolarHBondContact O-CB 3.49Å; A5-F9 PolarHBondContact O-N 3.18Å
6S80.2Confident84.3Confident65 Ų6582.3 Ų82.346%0.45544%0.441SS..Hα-helixtrans-63.9-39.2174.1177.90000112.6G2 S4 S10G2-S6 WeakPolarHBondContact O-CB 3.31Å; G2-S6 PolarHBondContact O-N 3.26Å; S4-S6 PolarHBondContact O-N 3.13Å; S6-S10 WeakPolarHBondContact O-CB 3.45Å; S6-S10 PolarHBondContact O-N 3.15Å; S6-S10 PolarHBondContact O-OG 2.93Å
7K86.4Confident85.2Confident164 Ų16477.4 Ų77.471%0.71342%0.415SS*.Hα-helixtrans-67.5-40175.2-170178.7-179.5-175.30111.8K3 S4 A5 S10 G11K3-K7 WeakPolarHBondContact O-CB 3.34Å; K3-K7 PolarHBondContact O-N 2.82Å; K3-K7 VanDerWaalsContact O-N 3.12Å; S4-K7 PolarHBondContact O-N 3.01Å; S4-K7 VanDerWaalsContact O-N 3.17Å; A5-K7 PolarHBondContact O-N 2.95Å; K7-S10 PolarHBondContact O-OG 3.49Å; K7-G11 PolarHBondContact O-N 2.85Å; K7-G11 VanDerWaalsContact O-N 3.07Å
8Q93.4Very high85.9Confident122 Ų12275.1 Ų75.157%0.5740%0.403SS*.Hα-helixtrans-62.9-53175.2179.5177.4-500111.1S4 A5 S10 G11 E12S4-Q8 PolarHBondContact O-N 3.27Å; A5-Q8 PolarHBondContact O-N 3.15Å; Q8-S10 PolarHBondContact O-N 2.86Å; Q8-G11 WeakPolarHBondContact O-CA 3.49Å; Q8-G11 PolarHBondContact O-N 3.28Å; Q8-G11 VanDerWaalsContact O-N 3.08Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.44Å; Q8-E12 PolarHBondContact NE2-OE1 3.08Å; Q8-E12 WeakPolarHBondContact O-CG 3.32Å; Q8-E12 PolarHBondContact O-N 3.09Å
9F96.3Very high86.6Confident13 Ų1375 Ų756%0.05740%0.4CS..Hα-helixtrans-54.8-51.1179.5174.7-100.8000112.1A5 G11 E12 V13 Q74 G76 V117 K119 V129A5-F9 WeakPolarHBondContact O-CB 3.49Å; A5-F9 PolarHBondContact O-N 3.18Å; F9-G11 VanDerWaalsContact C-N 3.28Å; F9-G11 PolarHBondContact O-N 3.13Å; F9-E12 PolarHBondContact O-N 3.12Å; F9-V13 HydrophobicContact CD1-CG2 4.44Å; F9-V13 HydrophobicContact CE1-CG2 4.09Å; F9-V13 HydrophobicContact CE2-CG2 4.17Å; F9-V13 HydrophobicContact CZ-CG2 3.93Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 2.83Å; F9-Q74 WeakPolarHBondContact CE2-O 3.45Å; F9-G76 VanDerWaalsContact CE2-CA 3.49Å; F9-V117 HydrophobicContact CD1-CG1 4.43Å; F9-V117 HydrophobicContact CE1-CG1 4.26Å; F9-V117 HydrophobicContact CE1-CG2 3.77Å; F9-V117 HydrophobicContact CZ-CG2 4.35Å; F9-K119 HydrophobicContact CD1-CB 4.24Å; F9-K119 HydrophobicContact CD2-CD 4.35Å; F9-K119 HydrophobicContact CE1-CB 3.74Å; F9-K119 HydrophobicContact CE2-CB 4.46Å; F9-K119 HydrophobicContact CE2-CD 3.92Å; F9-K119 HydrophobicContact CZ-CB 3.87Å; F9-K119 HydrophobicContact CZ-CD 4.12Å; F9-K119 HydrophobicContact CZ-CG 4.5Å; F9-V129 HydrophobicContact CE1-CG1 4.25Å; F9-V129 HydrophobicContact CE2-CG2 4.46Å; F9-V129 HydrophobicContact CZ-CB 4.46Å; F9-V129 HydrophobicContact CZ-CG1 3.72Å; F9-V129 HydrophobicContact CZ-CG2 3.85Å
10S97.4Very high87.2Confident12 Ų1272.5 Ų72.58%0.08439%0.385CS..Hα-helixtrans-63.6-33.1178.654.40000113.2S6 K7 Q8 L14S6-S10 WeakPolarHBondContact O-CB 3.45Å; S6-S10 PolarHBondContact O-N 3.15Å; S6-S10 PolarHBondContact O-OG 2.93Å; K7-S10 PolarHBondContact O-OG 3.49Å; Q8-S10 PolarHBondContact O-N 2.86Å; S10-L14 VanDerWaalsContact O-CB 3.31Å; S10-L14 WeakPolarHBondContact O-CB 3.35Å; S10-L14 PolarHBondContact O-N 3.39Å
11G97.8Very high87.7Confident28 Ų2869.1 Ų69.129%0.28937%0.366SS..Hα-helixtrans-66.5-42.2173.400000113.5K7 Q8 F9 R15K7-G11 PolarHBondContact O-N 2.85Å; K7-G11 VanDerWaalsContact O-N 3.07Å; Q8-G11 WeakPolarHBondContact O-CA 3.49Å; Q8-G11 PolarHBondContact O-N 3.28Å; Q8-G11 VanDerWaalsContact O-N 3.08Å; F9-G11 VanDerWaalsContact C-N 3.28Å; F9-G11 PolarHBondContact O-N 3.13Å; G11-R15 VanDerWaalsContact O-CB 3.3Å; G11-R15 WeakPolarHBondContact O-CB 3.38Å; G11-R15 PolarHBondContact O-N 3.01Å
12E98.1Very high90.4Very high50 Ų5066.2 Ų66.223%0.23434%0.343CS..Hα-helixtrans-64.4-46.3176.2-72.1170.7-172.800111.8Q8 F9 R15 S16 G76Q8-E12 WeakPolarHBondContact CG-OE1 3.44Å; Q8-E12 PolarHBondContact NE2-OE1 3.08Å; Q8-E12 WeakPolarHBondContact O-CG 3.32Å; Q8-E12 PolarHBondContact O-N 3.09Å; F9-E12 PolarHBondContact O-N 3.12Å; E12-R15 PolarHBondContact O-N 2.85Å; E12-S16 WeakPolarHBondContact O-CB 3.25Å; E12-S16 PolarHBondContact O-N 3.07Å; E12-S16 PolarHBondContact O-OG 3.25Å; E12-G76 PolarHBondContact OE2-N 2.68Å; E12-G76 VanDerWaalsContact OE2-N 3.09Å
13V98.7Very high92.2Very high0 Ų066.9 Ų66.90%033%0.329CS..Hα-helixtrans-58.9-51.3176.1176.70000109.7F9 R15 S16 H17 G76 L115 V117F9-V13 HydrophobicContact CD1-CG2 4.44Å; F9-V13 HydrophobicContact CE1-CG2 4.09Å; F9-V13 HydrophobicContact CE2-CG2 4.17Å; F9-V13 HydrophobicContact CZ-CG2 3.93Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 2.83Å; V13-R15 PolarHBondContact O-N 2.99Å; V13-S16 PolarHBondContact O-N 3.35Å; V13-H17 WeakPolarHBondContact CG1-CE1 3.48Å; V13-H17 WeakPolarHBondContact CG1-ND1 3.36Å; V13-H17 WeakPolarHBondContact O-CB 3.28Å; V13-H17 PolarHBondContact O-N 3.26Å; V13-H17 PolarHBondContact O-ND1 3.18Å; V13-G76 WeakPolarHBondContact CG2-O 3.37Å; V13-L115 HydrophobicContact CG1-CD2 4.11Å; V13-V117 HydrophobicContact CB-CG1 4.19Å; V13-V117 HydrophobicContact CG1-CB 4.32Å; V13-V117 HydrophobicContact CG1-CG1 4.27Å; V13-V117 HydrophobicContact CG1-CG2 4.12Å; V13-V117 HydrophobicContact CG2-CG1 4.36Å; V13-V117 HydrophobicContact CG2-CG2 4.25Å
14L98.8Very high93.9Very high35 Ų3557.7 Ų57.718%0.18329%0.289CS..Hα-helixtrans-60.2-43.6-179.3-178.570.6000112.4S10 H17 N18 L29 L31 L115S10-L14 VanDerWaalsContact O-CB 3.31Å; S10-L14 WeakPolarHBondContact O-CB 3.35Å; S10-L14 PolarHBondContact O-N 3.39Å; L14-H17 PolarHBondContact O-N 2.95Å; L14-N18 WeakPolarHBondContact O-CB 3.5Å; L14-N18 PolarHBondContact O-N 2.61Å; L14-L29 HydrophobicContact CD1-CB 4.13Å; L14-L31 HydrophobicContact CD2-CB 4.15Å; L14-L115 HydrophobicContact CB-CD2 4.38Å; L14-L115 HydrophobicContact CD1-CB 4.33Å; L14-L115 HydrophobicContact CD1-CD2 3.93Å
15R98.7Very high95.3Very high181 Ų18156.2 Ų56.268%0.68327%0.272SS*.Hα-helixtrans-61.3-48.6-179.8-171.6-174.2-52.6166.95.9110.9G11 E12 V13 N18 E19G11-R15 VanDerWaalsContact O-CB 3.3Å; G11-R15 WeakPolarHBondContact O-CB 3.38Å; G11-R15 PolarHBondContact O-N 3.01Å; E12-R15 PolarHBondContact O-N 2.85Å; V13-R15 PolarHBondContact O-N 2.99Å; R15-N18 PolarHBondContact O-N 3.2Å; R15-E19 PolarHBondContact O-N 2.79Å
16S98.6Very high96.6Very high9 Ų953.8 Ų53.86%0.06325%0.251CS..Hα-helixtrans-64.1-44.2180-47.80000110.9E12 V13 N18 E19 Y20E12-S16 WeakPolarHBondContact O-CB 3.25Å; E12-S16 PolarHBondContact O-N 3.07Å; E12-S16 PolarHBondContact O-OG 3.25Å; V13-S16 PolarHBondContact O-N 3.35Å; S16-N18 VanDerWaalsContact C-N 3.33Å; S16-N18 PolarHBondContact O-N 3.24Å; S16-E19 PolarHBondContact O-N 3.36Å; S16-Y20 WeakPolarHBondContact O-CD2 3.3Å; S16-Y20 PolarHBondContact O-N 3.22Å; S16-Y20 VanDerWaalsContact O-N 3.07Å
17H98.8Very high97.5Very high0 Ų053.3 Ų53.30%025%0.247CC..Hα-helixtrans-55.2-47.8172.6-79.863000111.8V13 L14 E19 Y20 R21 W83 Y133V13-H17 WeakPolarHBondContact CG1-CE1 3.48Å; V13-H17 WeakPolarHBondContact CG1-ND1 3.36Å; V13-H17 WeakPolarHBondContact O-CB 3.28Å; V13-H17 PolarHBondContact O-N 3.26Å; V13-H17 PolarHBondContact O-ND1 3.18Å; L14-H17 PolarHBondContact O-N 2.95Å; H17-E19 VanDerWaalsContact C-N 3.33Å; H17-E19 PolarHBondContact O-N 3.37Å; H17-Y20 PolarHBondContact O-N 3.41Å; H17-R21 VanDerWaalsContact O-CB 3.31Å; H17-R21 WeakPolarHBondContact O-CB 3.29Å; H17-R21 WeakPolarHBondContact O-CG 3.32Å; H17-R21 PolarHBondContact O-N 2.74Å; H17-W83 AromaticContact CE1-CE3 3.98Å; H17-W83 AromaticContact CE1-CZ3 3.94Å; H17-Y133 AromaticContact CD2-CE1 3.86Å; H17-Y133 AromaticContact NE2-CE1 3.81Å; H17-Y133 AromaticContact NE2-CZ 3.88Å; H17-Y133 PolarHBondContact NE2-OH 2.82Å; H17-Y133 VanDerWaalsContact NE2-OH 3.07Å
18N98.8Very high98.1Very high36 Ų3649.8 Ų49.819%0.19324%0.241CC..Hα-helixtrans-72.2-26.6-177-74.3-16.9000113.1L14 R15 S16 R22 P28 L29L14-N18 WeakPolarHBondContact O-CB 3.5Å; L14-N18 PolarHBondContact O-N 2.61Å; R15-N18 PolarHBondContact O-N 3.2Å; S16-N18 VanDerWaalsContact C-N 3.33Å; S16-N18 PolarHBondContact O-N 3.24Å; N18-R22 WeakPolarHBondContact O-CB 3.31Å; N18-R22 PolarHBondContact O-N 2.83Å; N18-R22 VanDerWaalsContact O-N 3.13Å; N18-P28 HydrophobicContact CB-CB 4.3Å; N18-P28 WeakPolarHBondContact OD1-CA 3.42Å; N18-L29 PolarHBondContact ND2-O 3.14Å; N18-L29 PolarHBondContact OD1-N 3.01Å
19E98.5Very high98.3Very high73 Ų7344.2 Ų44.234%0.34122%0.215SC..Hα-helixtrans-64.6-51.4169.1-170.2-167.6140.200111R15 S16 H17 R22 K23R15-E19 PolarHBondContact O-N 2.79Å; S16-E19 PolarHBondContact O-N 3.36Å; H17-E19 VanDerWaalsContact C-N 3.33Å; H17-E19 PolarHBondContact O-N 3.37Å; E19-R22 WeakPolarHBondContact O-CB 3.35Å; E19-R22 PolarHBondContact O-N 3.05Å; E19-K23 PolarHBondContact O-N 2.79Å; E19-K23 WeakPolarHBondContact OE1-CE 3.08Å; E19-K23 IonicContact OE1-NZ 2.65Å; E19-K23 PolarHBondContact OE1-NZ 2.93Å
20Y98.6Very high98.4Very high25 Ų2551.2 Ų51.210%0.09825%0.245CC..Hα-helixtrans-64.9-42.8178.8-67-55.6000112S16 H17 R22 K23 H24 D81 Y84 M107S16-Y20 WeakPolarHBondContact O-CD2 3.3Å; S16-Y20 PolarHBondContact O-N 3.22Å; S16-Y20 VanDerWaalsContact O-N 3.07Å; H17-Y20 PolarHBondContact O-N 3.41Å; Y20-R22 VanDerWaalsContact C-N 3.25Å; Y20-R22 PolarHBondContact O-N 3.39Å; Y20-K23 HydrophobicContact CD1-CD 4.19Å; Y20-K23 WeakPolarHBondContact O-CA 3.26Å; Y20-K23 WeakPolarHBondContact O-CB 3.28Å; Y20-K23 PolarHBondContact O-N 2.99Å; Y20-H24 PolarHBondContact O-CD2 2.78Å; Y20-H24 VanDerWaalsContact O-CD2 3.25Å; Y20-H24 PolarHBondContact O-N 3.45Å; Y20-H24 VanDerWaalsContact O-N 3.15Å; Y20-D81 PolarHBondContact OH-OD1 2.91Å; Y20-Y84 AromaticContact CD1-CD1 3.45Å; Y20-Y84 HydrophobicContact CD1-CD1 3.45Å; Y20-Y84 VanDerWaalsContact CD1-CD1 3.45Å; Y20-Y84 AromaticContact CD1-CD2 3.49Å; Y20-Y84 HydrophobicContact CD1-CD2 3.49Å; Y20-Y84 VanDerWaalsContact CD1-CD2 3.49Å; Y20-Y84 AromaticContact CD1-CE1 3.39Å; Y20-Y84 HydrophobicContact CD1-CE1 3.39Å; Y20-Y84 AromaticContact CD1-CE2 3.46Å; Y20-Y84 HydrophobicContact CD1-CE2 3.46Å; Y20-Y84 VanDerWaalsContact CD1-CE2 3.46Å; Y20-Y84 AromaticContact CD1-CG 3.47Å; Y20-Y84 HydrophobicContact CD1-CG 3.47Å; Y20-Y84 VanDerWaalsContact CD1-CG 3.47Å; Y20-Y84 AromaticContact CD1-CZ 3.4Å; Y20-Y84 VanDerWaalsContact CD1-CZ 3.4Å; Y20-Y84 HydrophobicContact CD2-CD1 4.4Å; Y20-Y84 AromaticContact CD2-CD2 3.95Å; Y20-Y84 HydrophobicContact CD2-CD2 3.95Å; Y20-Y84 AromaticContact CD2-CG 3.79Å; Y20-Y84 HydrophobicContact CD2-CG 3.79Å; Y20-Y84 AromaticContact CE1-CD1 3.15Å; Y20-Y84 HydrophobicContact CE1-CD1 3.15Å; Y20-Y84 HydrophobicContact CE1-CD2 4.09Å; Y20-Y84 AromaticContact CE1-CE1 3.31Å; Y20-Y84 HydrophobicContact CE1-CE1 3.31Å; Y20-Y84 HydrophobicContact CE1-CE2 4.23Å; Y20-Y84 AromaticContact CE1-CG 3.56Å; Y20-Y84 HydrophobicContact CE1-CG 3.56Å; Y20-Y84 AromaticContact CE1-CZ 3.86Å; Y20-Y84 HydrophobicContact CE2-CD1 4.17Å; Y20-Y84 HydrophobicContact CE2-CD2 4.49Å; Y20-Y84 AromaticContact CE2-CG 3.86Å; Y20-Y84 HydrophobicContact CE2-CG 3.86Å; Y20-Y84 HydrophobicContact CG-CD1 4.07Å; Y20-Y84 AromaticContact CG-CD2 3.42Å; Y20-Y84 HydrophobicContact CG-CD2 3.42Å; Y20-Y84 VanDerWaalsContact CG-CD2 3.42Å; Y20-Y84 HydrophobicContact CG-CE1 4.32Å; Y20-Y84 AromaticContact CG-CE2 3.73Å; Y20-Y84 HydrophobicContact CG-CE2 3.73Å; Y20-Y84 AromaticContact CG-CG 3.59Å; Y20-Y84 HydrophobicContact CG-CG 3.59Å; Y20-Y84 AromaticContact CZ-CD1 3.55Å; Y20-Y84 AromaticContact CZ-CG 3.74Å; Y20-M107 HydrophobicContact CD2-CE 3.91Å
21R98.7Very high98.5Very high1 Ų153.9 Ų53.90%0.00426%0.258CS..Hα-helixtrans-57.7-38.3175.6-74.8176.771.982.6-0.3112.7H17 K23 H24 Q25 A26 P27 M107 W109 S112H17-R21 VanDerWaalsContact O-CB 3.31Å; H17-R21 WeakPolarHBondContact O-CB 3.29Å; H17-R21 WeakPolarHBondContact O-CG 3.32Å; H17-R21 PolarHBondContact O-N 2.74Å; R21-K23 VanDerWaalsContact C-N 3.35Å; R21-K23 PolarHBondContact O-N 2.91Å; R21-H24 CarbonylContact O-C 3.32Å; R21-H24 PolarHBondContact O-N 3.07Å; R21-H24 VanDerWaalsContact O-N 3.13Å; R21-Q25 PolarHBondContact O-N 2.95Å; R21-Q25 VanDerWaalsContact O-N 3.15Å; R21-A26 CarbonylContact C-O 3.6Å; R21-A26 HydrophobicContact CB-CB 3.93Å; R21-A26 HydrophobicContact CG-CB 4.17Å; R21-A26 PolarHBondContact O-N 2.94Å; R21-P27 PolarHBondContact NE-O 3.46Å; R21-P27 PolarHBondContact NH2-O 2.9Å; R21-M107 WeakPolarHBondContact CD-O 3.16Å; R21-M107 VanDerWaalsContact CG-O 3.26Å; R21-M107 WeakPolarHBondContact CG-O 3.39Å; R21-M107 PolarHBondContact NH1-O 3.32Å; R21-W109 PolarHBondContact NH1-O 3.47Å; R21-W109 PolarHBondContact NH2-O 3.06Å; R21-W109 VanDerWaalsContact NH2-O 3.15Å; R21-S112 PolarHBondContact NH2-O 2.85Å
22R98.4Very high98.5Very high172 Ų17253.5 Ų53.565%0.64925%0.251SS*.Hα-helixtrans-60.4-44.1174.1-175.3-177.867.5-120.3-0.4111.5N18 E19 Y20 H24 Q25N18-R22 WeakPolarHBondContact O-CB 3.31Å; N18-R22 PolarHBondContact O-N 2.83Å; N18-R22 VanDerWaalsContact O-N 3.13Å; E19-R22 WeakPolarHBondContact O-CB 3.35Å; E19-R22 PolarHBondContact O-N 3.05Å; Y20-R22 VanDerWaalsContact C-N 3.25Å; Y20-R22 PolarHBondContact O-N 3.39Å; R22-H24 PolarHBondContact O-N 2.77Å; R22-Q25 PolarHBondContact O-N 2.94Å
23K97.9Very high98.4Very high73 Ų7355.8 Ų55.832%0.31727%0.273SS..Hα-helixtrans-57.5-34175.5-62.7175.8-174.6167.90111.6E19 Y20 R21 P152 K153E19-K23 PolarHBondContact O-N 2.79Å; E19-K23 WeakPolarHBondContact OE1-CE 3.08Å; E19-K23 IonicContact OE1-NZ 2.65Å; E19-K23 PolarHBondContact OE1-NZ 2.93Å; Y20-K23 HydrophobicContact CD1-CD 4.19Å; Y20-K23 WeakPolarHBondContact O-CA 3.26Å; Y20-K23 WeakPolarHBondContact O-CB 3.28Å; Y20-K23 PolarHBondContact O-N 2.99Å; R21-K23 VanDerWaalsContact C-N 3.35Å; R21-K23 PolarHBondContact O-N 2.91Å; K23-P152 CarbonylContact O-C 3.52Å; K23-P152 VanDerWaalsContact O-CA 3.31Å; K23-P152 WeakPolarHBondContact O-CA 3.36Å; K23-K153 PolarHBondContact O-N 3.31Å
24H98.4Very high98.3Very high1 Ų162.3 Ų62.31%0.00530%0.301CS..THydrogen-bonded Turntrans-101.424.6-179-66.2-88.6000114.1Y20 R21 R22 A26 Y84 F92 F104 V108 L150Y20-H24 PolarHBondContact O-CD2 2.78Å; Y20-H24 VanDerWaalsContact O-CD2 3.25Å; Y20-H24 PolarHBondContact O-N 3.45Å; Y20-H24 VanDerWaalsContact O-N 3.15Å; R21-H24 CarbonylContact O-C 3.32Å; R21-H24 PolarHBondContact O-N 3.07Å; R21-H24 VanDerWaalsContact O-N 3.13Å; R22-H24 PolarHBondContact O-N 2.77Å; H24-A26 PolarHBondContact O-N 3.4Å; H24-Y84 AromaticContact CD2-CE2 3.78Å; H24-Y84 AromaticContact NE2-CE2 3.32Å; H24-Y84 VanDerWaalsContact NE2-CE2 3.32Å; H24-Y84 WeakPolarHBondContact NE2-CE2 3.36Å; H24-Y84 AromaticContact NE2-CZ 3.51Å; H24-Y84 PolarHBondContact NE2-OH 3.35Å; H24-F92 AromaticContact CE1-CZ 3.95Å; H24-F104 AromaticContact CE1-CE2 3.73Å; H24-F104 AromaticContact CE1-CZ 3.82Å; H24-F104 AromaticContact NE2-CE2 3.77Å; H24-V108 HydrophobicContact CB-CB 4.01Å; H24-V108 HydrophobicContact CB-CG1 4.08Å; H24-L150 PolarHBondContact ND1-O 3.36Å
25Q97.9Very high98.3Very high63 Ų6361.6 Ų61.629%0.29430%0.297SS..THydrogen-bonded Turntrans50.124.9179.4-44.2101.6-71.700115.1R21 R22 L150 P151 K153R21-Q25 PolarHBondContact O-N 2.95Å; R21-Q25 VanDerWaalsContact O-N 3.15Å; R22-Q25 PolarHBondContact O-N 2.94Å; Q25-L150 HydrophobicContact CB-CD1 3.98Å; Q25-P151 PolarHBondContact OE1-O 3.14Å; Q25-K153 HydrophobicContact CG-CD 3.62Å; Q25-K153 HydrophobicContact CG-CG 4.03Å; Q25-K153 VanDerWaalsContact NE2-CE 3.26Å
26A98.3Very high98.3Very high6 Ų653.7 Ų53.75%0.0527%0.27CS..PPolyproline II helixtrans-91.9132177.900000109.6R21 H24 V108R21-A26 CarbonylContact C-O 3.6Å; R21-A26 HydrophobicContact CB-CB 3.93Å; R21-A26 HydrophobicContact CG-CB 4.17Å; R21-A26 PolarHBondContact O-N 2.94Å; H24-A26 PolarHBondContact O-N 3.4Å; A26-V108 VanDerWaalsContact CB-O 3.28Å; A26-V108 WeakPolarHBondContact CB-O 3.39Å
27P98.6Very high98.2Very high55 Ų5560.5 Ų60.536%0.35729%0.294SS..PPolyproline II helixtrans-57.7147.4177.2-25.334000111.7R21R21-P27 PolarHBondContact NE-O 3.46Å; R21-P27 PolarHBondContact NH2-O 2.9Å
28P98.8Very high98.2Very high91 Ų9162 Ų6259%0.59130%0.302SS*.PPolyproline II helixtrans-62.1142.6-178.526.6-34.9000111.7N18N18-P28 HydrophobicContact CB-CB 4.3Å; N18-P28 WeakPolarHBondContact OD1-CA 3.42Å
29L98.9Very high98.1Very high4 Ų460.3 Ų60.32%0.02129%0.293CS..PPolyproline II helixtrans-74153.2169.2-61.5171.9000110L14 N18 S112 K113 L115 Y133L14-L29 HydrophobicContact CD1-CB 4.13Å; N18-L29 PolarHBondContact ND2-O 3.14Å; N18-L29 PolarHBondContact OD1-N 3.01Å; L29-S112 VanDerWaalsContact CD2-C 3.48Å; L29-S112 VanDerWaalsContact CD2-O 3.27Å; L29-S112 WeakPolarHBondContact CD2-O 3.48Å; L29-K113 WeakPolarHBondContact CA-O 3.28Å; L29-L115 HydrophobicContact CB-CB 4.09Å; L29-L115 HydrophobicContact CD1-CB 4Å; L29-Y133 HydrophobicContact CD1-CD1 4.11Å; L29-Y133 HydrophobicContact CD1-CE1 4.23Å
30K98.6Very high98.1Very high160 Ų16058.5 Ų58.570%0.69629%0.287SS*.EExtended strand (participates in β ladder)trans-110.7137.2168-62.4-175.8-178.7-177.50110S32 K113 K114 L115K30-S32 PolarHBondContact O-N 3.2Å; K30-K113 PolarHBondContact N-O 3.38Å; K30-K114 CarbonylContact O-C 3.59Å; K30-K114 VanDerWaalsContact O-CA 3.26Å; K30-K114 WeakPolarHBondContact O-CA 3.37Å; K30-L115 PolarHBondContact O-N 3.48Å
31L98.3Very high98.1Very high69 Ų6963.3 Ų63.336%0.36131%0.305SS..EExtended strand (participates in β ladder)trans-64.4137.6174.6-156.373.9000110.2L14 L115L14-L31 HydrophobicContact CD2-CB 4.15Å; L31-L115 CarbonylContact C-O 3.52Å; L31-L115 VanDerWaalsContact CA-O 3.3Å; L31-L115 WeakPolarHBondContact CA-O 3.43Å
32S98.3Very high98.1Very high20 Ų2065 Ų6514%0.1431%0.312CS..  trans-119.1113.1178.1172.50000109.8K30 K34 L35 S36 L115K30-S32 PolarHBondContact O-N 3.2Å; S32-K34 PolarHBondContact O-N 3.43Å; S32-L35 PolarHBondContact O-N 2.84Å; S32-L35 VanDerWaalsContact O-N 3.08Å; S32-L35 PolarHBondContact OG-N 3.2Å; S32-S36 PolarHBondContact O-N 2.88Å; S32-S36 PolarHBondContact O-OG 3.11Å; S32-L115 PolarHBondContact N-O 2.95Å
33S96.5Very high98.1Very high97 Ų9756.8 Ų56.868%0.67828%0.281SS*.Hα-helixtrans-58.8-30.8179.5-490000113R37S33-R37 WeakPolarHBondContact O-CB 3.45Å; S33-R37 PolarHBondContact O-N 2.85Å; S33-R37 VanDerWaalsContact O-N 3.09Å
34K97Very high98.1Very high138 Ų13858.4 Ų58.460%0.629%0.289SS*.Hα-helixtrans-65.5-53.9173.4-178.4-176.9167.982.10110.5S32 S36 R37 D38S32-K34 PolarHBondContact O-N 3.43Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.2Å; K34-R37 PolarHBondContact O-N 3.24Å; K34-D38 PolarHBondContact O-N 3.4Å
35L98Very high98.1Very high19 Ų1961 Ų6110%0.09931%0.308CS..Hα-helixtrans-63.3-39.1-179.5-64.7178.3000111.8S32 D38 A39 K114 R132 F134S32-L35 PolarHBondContact O-N 2.84Å; S32-L35 VanDerWaalsContact O-N 3.08Å; S32-L35 PolarHBondContact OG-N 3.2Å; L35-D38 PolarHBondContact O-N 3.31Å; L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.43Å; L35-A39 PolarHBondContact O-N 2.98Å; L35-K114 HydrophobicContact CD1-CB 3.88Å; L35-R132 HydrophobicContact CB-CB 4.29Å; L35-R132 HydrophobicContact CD2-CB 4.44Å; L35-F134 HydrophobicContact CD1-CB 3.82Å
36S98.2Very high98.1Very high16 Ų1658.1 Ų58.111%0.11229%0.294CS..Hα-helixtrans-64.5-42176.9-63.70000111.8S32 K34 D38 A39 T40 G116 V117S32-S36 PolarHBondContact O-N 2.88Å; S32-S36 PolarHBondContact O-OG 3.11Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.2Å; S36-D38 VanDerWaalsContact C-N 3.29Å; S36-D38 PolarHBondContact O-N 2.91Å; S36-A39 PolarHBondContact O-N 3.48Å; S36-T40 WeakPolarHBondContact O-CB 3.42Å; S36-T40 PolarHBondContact O-N 3.4Å; S36-T40 PolarHBondContact O-OG1 3.29Å; S36-T40 VanDerWaalsContact O-OG1 3.05Å; S36-G116 WeakPolarHBondContact OG-CA 3.38Å; S36-V117 WeakPolarHBondContact CB-O 3.4Å; S36-V117 PolarHBondContact OG-N 2.84Å
37R97.1Very high98.1Very high151 Ų15158.1 Ų58.157%0.5730%0.295SS*.Hα-helixtrans-59.8-41.4173.3-99.7175.149-110.6-3112S33 K34 R41S33-R37 WeakPolarHBondContact O-CB 3.45Å; S33-R37 PolarHBondContact O-N 2.85Å; S33-R37 VanDerWaalsContact O-N 3.09Å; K34-R37 PolarHBondContact O-N 3.24Å; R37-R41 VanDerWaalsContact C-NH1 3.25Å; R37-R41 WeakPolarHBondContact O-CG 3.48Å; R37-R41 PolarHBondContact O-N 3.11Å; R37-R41 VanDerWaalsContact O-N 3.14Å; R37-R41 PolarHBondContact O-NH1 3.33Å
38D97.5Very high98Very high33 Ų3360.2 Ų60.218%0.17631%0.311CS..Hα-helixtrans-68.7-42.8-180-60.6-15.6000110.7K34 L35 S36 R41 Y42K34-D38 PolarHBondContact O-N 3.4Å; L35-D38 PolarHBondContact O-N 3.31Å; S36-D38 VanDerWaalsContact C-N 3.29Å; S36-D38 PolarHBondContact O-N 2.91Å; D38-R41 PolarHBondContact O-N 3.06Å; D38-R41 IonicContact OD1-CZ 3.96Å; D38-R41 IonicContact OD1-NH1 3.21Å; D38-R41 PolarHBondContact OD1-NH1 3.08Å; D38-R41 IonicContact OD1-NH2 2.75Å; D38-R41 PolarHBondContact OD1-NH2 3.3Å; D38-Y42 PolarHBondContact O-N 3.04Å
39A98.3Very high97.9Very high0 Ų059.2 Ų59.20%030%0.303CS..Hα-helixtrans-61.8-42.5174.300000112.5L35 S36 Y42 A43 V130 R132L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.43Å; L35-A39 PolarHBondContact O-N 2.98Å; S36-A39 PolarHBondContact O-N 3.48Å; A39-Y42 PolarHBondContact O-N 3.07Å; A39-A43 WeakPolarHBondContact O-CB 3.35Å; A39-A43 PolarHBondContact O-N 3.23Å; A39-V130 HydrophobicContact CB-CB 4.12Å; A39-V130 HydrophobicContact CB-CG1 4Å; A39-V130 WeakPolarHBondContact CB-O 3.49Å; A39-R132 HydrophobicContact CB-CG 3.98Å
40T98.1Very high97.7Very high35 Ų3563.9 Ų63.922%0.21532%0.32CS..Hα-helixtrans-62.2-48176.5-63.30000111.5S36 Y42 A43 E44 G118S36-T40 WeakPolarHBondContact O-CB 3.42Å; S36-T40 PolarHBondContact O-N 3.4Å; S36-T40 PolarHBondContact O-OG1 3.29Å; S36-T40 VanDerWaalsContact O-OG1 3.05Å; T40-Y42 PolarHBondContact O-N 3.09Å; T40-A43 WeakPolarHBondContact O-CB 3.45Å; T40-A43 PolarHBondContact O-N 3Å; T40-A43 VanDerWaalsContact O-N 3.15Å; T40-E44 HydrophobicContact CG2-CG 4.48Å; T40-E44 WeakPolarHBondContact O-CG 3.39Å; T40-E44 PolarHBondContact O-N 3.39Å; T40-G118 WeakPolarHBondContact OG1-CA 3.29Å
41R97.9Very high97.5Very high126 Ų12660.7 Ų60.748%0.47531%0.31SS..Hα-helixtrans-59.1-37.6177.1-71.8-165.6-49-75.27.7111.9R37 D38 S45R37-R41 VanDerWaalsContact C-NH1 3.25Å; R37-R41 WeakPolarHBondContact O-CG 3.48Å; R37-R41 PolarHBondContact O-N 3.11Å; R37-R41 VanDerWaalsContact O-N 3.14Å; R37-R41 PolarHBondContact O-NH1 3.33Å; D38-R41 PolarHBondContact O-N 3.06Å; D38-R41 IonicContact OD1-CZ 3.96Å; D38-R41 IonicContact OD1-NH1 3.21Å; D38-R41 PolarHBondContact OD1-NH1 3.08Å; D38-R41 IonicContact OD1-NH2 2.75Å; D38-R41 PolarHBondContact OD1-NH2 3.3Å; R41-S45 PolarHBondContact O-N 3.03Å; R41-S45 VanDerWaalsContact O-N 3.16Å
42Y98.4Very high97.4Very high35 Ų3561.7 Ų61.714%0.13732%0.315CS..Hα-helixtrans-71.5-41.5177-161.9-121.1000112D38 A39 T40 E44 S45 L46 K53 H54 S55 E65 L67 V130D38-Y42 PolarHBondContact O-N 3.04Å; A39-Y42 PolarHBondContact O-N 3.07Å; T40-Y42 PolarHBondContact O-N 3.09Å; Y42-E44 VanDerWaalsContact C-N 3.29Å; Y42-E44 PolarHBondContact O-N 3.08Å; Y42-S45 WeakPolarHBondContact O-CA 3.36Å; Y42-S45 WeakPolarHBondContact O-CB 3.42Å; Y42-S45 PolarHBondContact O-N 2.76Å; Y42-L46 HydrophobicContact CD1-CD1 4.06Å; Y42-L46 HydrophobicContact CD1-CG 4.29Å; Y42-L46 HydrophobicContact CE1-CD1 4Å; Y42-L46 HydrophobicContact CE1-CD2 3.95Å; Y42-L46 HydrophobicContact CE1-CG 4.1Å; Y42-L46 WeakPolarHBondContact O-CG 3.34Å; Y42-L46 PolarHBondContact O-N 2.83Å; Y42-K53 PolarHBondContact OH-O 3.23Å; Y42-H54 VanDerWaalsContact OH-C 3.29Å; Y42-H54 PolarHBondContact OH-O 3.22Å; Y42-S55 VanDerWaalsContact CZ-CA 3.45Å; Y42-S55 VanDerWaalsContact OH-CA 3.27Å; Y42-S55 WeakPolarHBondContact OH-CA 3.41Å; Y42-S55 PolarHBondContact OH-N 2.98Å; Y42-E65 WeakPolarHBondContact CD1-OE2 3.25Å; Y42-L67 HydrophobicContact CE1-CD2 4.43Å; Y42-V130 HydrophobicContact CD1-CG1 4.16Å; Y42-V130 HydrophobicContact CD1-CG2 3.89Å
43A98.4Very high97.3Very high0 Ų066.6 Ų66.60%033%0.334CS..Hα-helixtrans-57.8-41.7174.300000111.9A39 T40 S45 L46 A47 A120 V130A39-A43 WeakPolarHBondContact O-CB 3.35Å; A39-A43 PolarHBondContact O-N 3.23Å; T40-A43 WeakPolarHBondContact O-CB 3.45Å; T40-A43 PolarHBondContact O-N 3Å; T40-A43 VanDerWaalsContact O-N 3.15Å; A43-S45 VanDerWaalsContact C-N 3.34Å; A43-S45 PolarHBondContact O-N 2.92Å; A43-L46 PolarHBondContact O-N 3.34Å; A43-A47 WeakPolarHBondContact O-CB 3.07Å; A43-A47 PolarHBondContact O-N 3.02Å; A43-A120 VanDerWaalsContact C-CB 3.47Å; A43-A120 HydrophobicContact CB-CB 3.95Å; A43-A120 WeakPolarHBondContact O-CB 3.44Å; A43-V130 HydrophobicContact CB-CB 4.47Å; A43-V130 HydrophobicContact CB-CG2 3.84Å
44E98.3Very high97.3Very high107 Ų10766.5 Ų66.550%0.532%0.322SS..Hα-helixtrans-61-41174.2-70.1165.5172.500111.7T40 Y42 A47 S48 A120T40-E44 HydrophobicContact CG2-CG 4.48Å; T40-E44 WeakPolarHBondContact O-CG 3.39Å; T40-E44 PolarHBondContact O-N 3.39Å; Y42-E44 VanDerWaalsContact C-N 3.29Å; Y42-E44 PolarHBondContact O-N 3.08Å; E44-A47 PolarHBondContact O-N 2.98Å; E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 3.11Å; E44-A120 HydrophobicContact CB-CB 4.38Å; E44-A120 HydrophobicContact CG-CB 3.92Å
45S98.1Very high97.3Very high56 Ų5659.9 Ų59.939%0.39229%0.294SS..Hα-helixtrans-64.7-40.9174.7-176.90000112.4R41 Y42 A43 S48 T49R41-S45 PolarHBondContact O-N 3.03Å; R41-S45 VanDerWaalsContact O-N 3.16Å; Y42-S45 WeakPolarHBondContact O-CA 3.36Å; Y42-S45 WeakPolarHBondContact O-CB 3.42Å; Y42-S45 PolarHBondContact O-N 2.76Å; A43-S45 VanDerWaalsContact C-N 3.34Å; A43-S45 PolarHBondContact O-N 2.92Å; S45-S48 PolarHBondContact O-N 3.22Å; S45-T49 WeakPolarHBondContact O-CB 3.39Å; S45-T49 WeakPolarHBondContact O-CG2 3.29Å; S45-T49 PolarHBondContact O-N 3.07Å; S45-T49 PolarHBondContact O-OG1 3.33Å
46L98.1Very high97.1Very high2 Ų263.4 Ų63.41%0.0132%0.316CS..Hα-helixtrans-64.8-41.9174.6-61.2173.7000111.2Y42 A43 S48 T49 R50 I51 L52 L67 F128 V130Y42-L46 HydrophobicContact CD1-CD1 4.06Å; Y42-L46 HydrophobicContact CD1-CG 4.29Å; Y42-L46 HydrophobicContact CE1-CD1 4Å; Y42-L46 HydrophobicContact CE1-CD2 3.95Å; Y42-L46 HydrophobicContact CE1-CG 4.1Å; Y42-L46 WeakPolarHBondContact O-CG 3.34Å; Y42-L46 PolarHBondContact O-N 2.83Å; A43-L46 PolarHBondContact O-N 3.34Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 3.15Å; L46-T49 PolarHBondContact O-N 2.82Å; L46-R50 VanDerWaalsContact O-CA 3.27Å; L46-R50 WeakPolarHBondContact O-CA 3.32Å; L46-R50 PolarHBondContact O-N 2.86Å; L46-I51 WeakPolarHBondContact CD2-O 3.48Å; L46-L52 HydrophobicContact CD1-CD1 4.47Å; L46-L67 HydrophobicContact CD1-CD2 3.95Å; L46-F128 HydrophobicContact CB-CB 4.08Å; L46-F128 HydrophobicContact CB-CD1 3.59Å; L46-F128 HydrophobicContact CB-CE1 4.24Å; L46-F128 HydrophobicContact CB-CG 3.96Å; L46-V130 HydrophobicContact CD1-CG2 3.64Å
47A97.8Very high96.8Very high7 Ų767.1 Ų67.16%0.05833%0.331CS..Hα-helixtrans-66.5-30.8177.100000113.3A43 E44 R50 A120 A122 F128A43-A47 WeakPolarHBondContact O-CB 3.07Å; A43-A47 PolarHBondContact O-N 3.02Å; E44-A47 PolarHBondContact O-N 2.98Å; A47-R50 WeakPolarHBondContact O-CD 3.48Å; A47-R50 PolarHBondContact O-NE 2.79Å; A47-A120 HydrophobicContact CB-CB 3.91Å; A47-A122 HydrophobicContact CB-CB 4.22Å; A47-F128 HydrophobicContact CB-CD2 3.77Å; A47-F128 HydrophobicContact CB-CE2 4.3Å; A47-F128 HydrophobicContact CB-CG 4.43Å
48S97.6Very high96.5Very high99 Ų9961.1 Ų61.169%0.69231%0.312SS*.Hα-helixtrans-75.2-46.7174.7179.90000112E44 S45 L46E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 3.11Å; S45-S48 PolarHBondContact O-N 3.22Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 3.15Å
49T96.8Very high96.2Very high69 Ų6964 Ų6442%0.42334%0.335SS..Hα-helixtrans-83.7-20.7-175.858.40000114.1S45 L46 I51S45-T49 WeakPolarHBondContact O-CB 3.39Å; S45-T49 WeakPolarHBondContact O-CG2 3.29Å; S45-T49 PolarHBondContact O-N 3.07Å; S45-T49 PolarHBondContact O-OG1 3.33Å; L46-T49 PolarHBondContact O-N 2.82Å; T49-I51 PolarHBondContact O-N 3.16Å
50R95.4Very high95.8Very high102 Ų10271.8 Ų71.839%0.38537%0.369SS..  trans6019.4-173.1-48.8-56.7-170.880.6-2.7114.8L46 A47 D124L46-R50 VanDerWaalsContact O-CA 3.27Å; L46-R50 WeakPolarHBondContact O-CA 3.32Å; L46-R50 PolarHBondContact O-N 2.86Å; A47-R50 WeakPolarHBondContact O-CD 3.48Å; A47-R50 PolarHBondContact O-NE 2.79Å; R50-D124 IonicContact CZ-OD1 3.68Å; R50-D124 IonicContact CZ-OD2 3.52Å; R50-D124 IonicContact NH1-OD1 3.55Å; R50-D124 IonicContact NH1-OD2 2.65Å; R50-D124 PolarHBondContact NH1-OD2 3.28Å; R50-D124 IonicContact NH2-OD1 3.59Å; R50-D124 IonicContact NH2-OD2 3.8Å
51I94.4Very high95.3Very high93 Ų9372.4 Ų72.448%0.47738%0.382SS..  trans-108.1109.5-179-62.7168.8000108.6L46 T49 K53L46-I51 WeakPolarHBondContact CD2-O 3.48Å; T49-I51 PolarHBondContact O-N 3.16Å; I51-K53 HydrophobicContact CG2-CB 4.21Å; I51-K53 HydrophobicContact CG2-CD 3.9Å; I51-K53 HydrophobicContact CG2-CG 3.99Å; I51-K53 PolarHBondContact O-N 2.78Å; I51-K53 VanDerWaalsContact O-N 3.15Å
52L95.2Very high95Very high90 Ų9069.8 Ų69.847%0.47138%0.384SS..  trans-78.695.8174.7-165.271000109.9L46 L67 W69 F128L46-L52 HydrophobicContact CD1-CD1 4.47Å; L52-L67 HydrophobicContact CD1-CB 3.97Å; L52-L67 HydrophobicContact CD1-CD1 4.37Å; L52-L67 HydrophobicContact CG-CB 4.41Å; L52-L67 HydrophobicContact CG-CD1 4.48Å; L52-W69 HydrophobicContact CD1-CB 4.14Å; L52-W69 HydrophobicContact CD2-CB 3.97Å; L52-F128 HydrophobicContact CD1-CD1 3.99Å; L52-F128 HydrophobicContact CD1-CE1 4.37Å
53K96.8Very high94.9Very high124 Ų12468.5 Ų68.554%0.53938%0.38SS..  trans-140.8154.617767.8178.5178.7-177.80111.3Y42 I51 L67Y42-K53 PolarHBondContact OH-O 3.23Å; I51-K53 HydrophobicContact CG2-CB 4.21Å; I51-K53 HydrophobicContact CG2-CD 3.9Å; I51-K53 HydrophobicContact CG2-CG 3.99Å; I51-K53 PolarHBondContact O-N 2.78Å; I51-K53 VanDerWaalsContact O-N 3.15Å; K53-L67 WeakPolarHBondContact O-CD1 3.5Å
54H96.4Very high94.8Very high94 Ų9469 Ų6944%0.43539%0.385SS..  trans-65.8147175.3-79.7-63.9000112.9Y42 E65Y42-H54 VanDerWaalsContact OH-C 3.29Å; Y42-H54 PolarHBondContact OH-O 3.22Å; H54-E65 VanDerWaalsContact CA-OE1 3.23Å; H54-E65 WeakPolarHBondContact CA-OE1 3.33Å; H54-E65 PolarHBondContact CE1-O 2.7Å; H54-E65 IonicContact CE1-OE1 2.95Å; H54-E65 IonicContact CG-OE1 3.96Å; H54-E65 IonicContact ND1-OE1 2.68Å; H54-E65 PolarHBondContact ND1-OE1 3.28Å
55S95.8Very high94.8Very high0 Ų064.5 Ų64.50%036%0.364CS..  trans-74.7156178.7104.50000112.3Y42 E57 S58 S59 E65 R132Y42-S55 VanDerWaalsContact CZ-CA 3.45Å; Y42-S55 VanDerWaalsContact OH-CA 3.27Å; Y42-S55 WeakPolarHBondContact OH-CA 3.41Å; Y42-S55 PolarHBondContact OH-N 2.98Å; S55-E57 VanDerWaalsContact C-N 3.26Å; S55-E57 VanDerWaalsContact CB-OE2 3.25Å; S55-E57 WeakPolarHBondContact CB-OE2 3.47Å; S55-E57 PolarHBondContact O-N 3.44Å; S55-E57 PolarHBondContact OG-N 3.07Å; S55-E57 PolarHBondContact OG-OE2 3.15Å; S55-S58 WeakPolarHBondContact O-CB 3.3Å; S55-S58 PolarHBondContact O-N 2.86Å; S55-S58 PolarHBondContact OG-N 2.85Å; S55-S59 PolarHBondContact O-N 3.05Å; S55-S59 PolarHBondContact O-OG 2.9Å; S55-E65 PolarHBondContact N-OE1 2.81Å; S55-R132 PolarHBondContact OG-NH2 3.03Å
56V94.8Very high94.9Very high92 Ų9261.9 Ų61.956%0.55835%0.346SS*.Hα-helixtrans-61.4-37.1176.2176.70000111.4S58 S59 K60V56-S58 VanDerWaalsContact C-N 3.33Å; V56-S58 PolarHBondContact O-N 3.04Å; V56-S59 PolarHBondContact O-N 3.5Å; V56-K60 HydrophobicContact CG1-CD 3.98Å; V56-K60 HydrophobicContact CG1-CG 4.38Å; V56-K60 WeakPolarHBondContact O-CB 3.48Å; V56-K60 WeakPolarHBondContact O-CG 3.49Å; V56-K60 PolarHBondContact O-N 3.01Å
57E91.3Very high94.9Very high95 Ų9562.4 Ų62.444%0.44435%0.348SS..Hα-helixtrans-62.6-40.5176.4-58.179.7-175.900111.9S55 G61 S62 R132S55-E57 VanDerWaalsContact C-N 3.26Å; S55-E57 VanDerWaalsContact CB-OE2 3.25Å; S55-E57 WeakPolarHBondContact CB-OE2 3.47Å; S55-E57 PolarHBondContact O-N 3.44Å; S55-E57 PolarHBondContact OG-N 3.07Å; S55-E57 PolarHBondContact OG-OE2 3.15Å; E57-G61 PolarHBondContact O-N 2.75Å; E57-S62 VanDerWaalsContact O-CB 3.32Å; E57-S62 WeakPolarHBondContact O-CB 3.31Å; E57-S62 PolarHBondContact O-N 3.37Å; E57-R132 IonicContact OE2-NH2 3.11Å
58S91.8Very high94.9Very high24 Ų2462.5 Ų62.517%0.16835%0.349CS..Hα-helixtrans-65.4-48.4174.5-174.10000111.1S55 V56 K60 G61 C63 E65S55-S58 WeakPolarHBondContact O-CB 3.3Å; S55-S58 PolarHBondContact O-N 2.86Å; S55-S58 PolarHBondContact OG-N 2.85Å; V56-S58 VanDerWaalsContact C-N 3.33Å; V56-S58 PolarHBondContact O-N 3.04Å; S58-K60 PolarHBondContact O-N 3.26Å; S58-G61 WeakPolarHBondContact O-CA 3.45Å; S58-G61 PolarHBondContact O-N 3.49Å; S58-C63 WeakPolarHBondContact CA-O 3.47Å; S58-E65 VanDerWaalsContact OG-CB 3.24Å; S58-E65 WeakPolarHBondContact OG-CB 3.27Å
59S89.8Confident94.9Very high95 Ų9563.8 Ų63.866%0.66434%0.339SS*.Hα-helixtrans-61.8-26.6179.6-57.20000113.6S55 V56 G61S55-S59 PolarHBondContact O-N 3.05Å; S55-S59 PolarHBondContact O-OG 2.9Å; V56-S59 PolarHBondContact O-N 3.5Å; S59-G61 VanDerWaalsContact C-N 3.31Å
60K90.8Very high95Very high162 Ų16260.8 Ų60.870%0.70432%0.321SS*.THydrogen-bonded Turntrans-86.64.2173.8-70-179.9178.9-178.10113.7V56 S58 S62V56-K60 HydrophobicContact CG1-CD 3.98Å; V56-K60 HydrophobicContact CG1-CG 4.38Å; V56-K60 WeakPolarHBondContact O-CB 3.48Å; V56-K60 WeakPolarHBondContact O-CG 3.49Å; V56-K60 PolarHBondContact O-N 3.01Å; S58-K60 PolarHBondContact O-N 3.26Å; K60-S62 PolarHBondContact O-N 3.33Å
61G87.7Confident95.1Very high48 Ų4859.8 Ų59.850%0.49533%0.33SS..THydrogen-bonded Turntrans70.313.4-179.600000114.7E57 S58 S59 C63E57-G61 PolarHBondContact O-N 2.75Å; S58-G61 WeakPolarHBondContact O-CA 3.45Å; S58-G61 PolarHBondContact O-N 3.49Å; S59-G61 VanDerWaalsContact C-N 3.31Å; G61-C63 PolarHBondContact O-N 3.43Å
62S91.7Very high95.2Very high72 Ų7261 Ų6150%0.50333%0.329SS..SBendtrans-68.3-23.7179.6-59.20000112.3E57 K60E57-S62 VanDerWaalsContact O-CB 3.32Å; E57-S62 WeakPolarHBondContact O-CB 3.31Å; E57-S62 PolarHBondContact O-N 3.37Å; K60-S62 PolarHBondContact O-N 3.33Å
63C95.3Very high95.2Very high8 Ų861 Ų615%0.05433%0.33CS..SBendtrans-159.8158.1172.353.70000109.1S58 G61 R132 Y133S58-C63 WeakPolarHBondContact CA-O 3.47Å; G61-C63 PolarHBondContact O-N 3.43Å; C63-R132 PolarHBondContact SG-NH1 2.99Å; C63-Y133 CarbonylContact C-O 3.59Å; C63-Y133 WeakPolarHBondContact CA-O 3.27Å; C63-Y133 WeakPolarHBondContact CB-O 3.07Å
64G97.8Very high95.1Very high11 Ų1155.1 Ų55.111%0.11330%0.304CS..EExtended strand (participates in β ladder)trans-76.7159.4164.700000110.7R132 Y133G64-R132 CarbonylContact O-C 3.59Å; G64-R132 VanDerWaalsContact O-CA 3.29Å; G64-R132 WeakPolarHBondContact O-CA 3.32Å; G64-Y133 PolarHBondContact N-O 3.09Å; G64-Y133 PolarHBondContact O-N 3.38Å
65E98.4Very high95.1Very high11 Ų1153.2 Ų53.25%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-144.3134.6179.6-173.8172.668.400112.5Y42 H54 S55 S58 L67 V130 A131 R132Y42-E65 WeakPolarHBondContact CD1-OE2 3.25Å; H54-E65 VanDerWaalsContact CA-OE1 3.23Å; H54-E65 WeakPolarHBondContact CA-OE1 3.33Å; H54-E65 PolarHBondContact CE1-O 2.7Å; H54-E65 IonicContact CE1-OE1 2.95Å; H54-E65 IonicContact CG-OE1 3.96Å; H54-E65 IonicContact ND1-OE1 2.68Å; H54-E65 PolarHBondContact ND1-OE1 3.28Å; S55-E65 PolarHBondContact N-OE1 2.81Å; S58-E65 VanDerWaalsContact OG-CB 3.24Å; S58-E65 WeakPolarHBondContact OG-CB 3.27Å; E65-L67 HydrophobicContact CG-CD2 3.79Å; E65-L67 HydrophobicContact CG-CG 4.18Å; E65-V130 HydrophobicContact CG-CG1 4.14Å; E65-A131 VanDerWaalsContact CA-O 3.23Å; E65-A131 WeakPolarHBondContact CA-O 3.43Å; E65-R132 IonicContact OE2-CZ 2.84Å; E65-R132 IonicContact OE2-NE 2.8Å; E65-R132 PolarHBondContact OE2-NE 3.14Å; E65-R132 IonicContact OE2-NH2 3.57Å; E65-R132 PolarHBondContact OE2-NH2 2.99Å
66N98.7Very high95.2Very high2 Ų253.2 Ų53.21%0.01130%0.3CS..EExtended strand (participates in β ladder)trans-115144.6160.2-70.80.4000109W83 H103 A106 A131 Y133N66-W83 HydrophobicContact CB-CD2 3.87Å; N66-W83 HydrophobicContact CB-CE3 4.12Å; N66-W83 HydrophobicContact CB-CH2 3.85Å; N66-W83 HydrophobicContact CB-CZ2 3.55Å; N66-W83 HydrophobicContact CB-CZ3 4.11Å; N66-H103 VanDerWaalsContact CG-CD2 3.45Å; N66-H103 WeakPolarHBondContact ND2-CA 3.38Å; N66-H103 PolarHBondContact ND2-O 3.09Å; N66-H103 VanDerWaalsContact ND2-O 3.07Å; N66-A106 WeakPolarHBondContact OD1-CB 3.29Å; N66-A131 HydrophobicContact CB-CB 4.33Å; N66-A131 PolarHBondContact N-O 3.37Å; N66-A131 PolarHBondContact O-N 3.26Å; N66-Y133 HydrophobicContact CB-CE2 4.18Å; N66-Y133 PolarHBondContact ND2-OH 3.23Å
67L98.5Very high95.3Very high12 Ų1253.7 Ų53.76%0.06330%0.295CS..EExtended strand (participates in β ladder)trans-119.8146.8176.4-57.9179.3000109.7Y42 L46 L52 K53 E65 W83 V129 V130Y42-L67 HydrophobicContact CE1-CD2 4.43Å; L46-L67 HydrophobicContact CD1-CD2 3.95Å; L52-L67 HydrophobicContact CD1-CB 3.97Å; L52-L67 HydrophobicContact CD1-CD1 4.37Å; L52-L67 HydrophobicContact CG-CB 4.41Å; L52-L67 HydrophobicContact CG-CD1 4.48Å; K53-L67 WeakPolarHBondContact O-CD1 3.5Å; E65-L67 HydrophobicContact CG-CD2 3.79Å; E65-L67 HydrophobicContact CG-CG 4.18Å; L67-W83 PolarHBondContact O-NE1 3.17Å; L67-V129 CarbonylContact C-O 3.51Å; L67-V129 WeakPolarHBondContact CA-O 3.25Å; L67-V130 HydrophobicContact CD2-CB 4.24Å; L67-V130 HydrophobicContact CD2-CG1 4.09Å; L67-V130 HydrophobicContact CD2-CG2 3.73Å
68A98.3Very high95.7Very high10 Ų1052.4 Ų52.48%0.08329%0.291CS..EExtended strand (participates in β ladder)trans-141.1145.6168.200000110.4V79 W83 F128 V129A68-V79 HydrophobicContact CB-CG1 3.99Å; A68-W83 HydrophobicContact CB-CZ2 3.87Å; A68-F128 WeakPolarHBondContact O-CA 3.26Å; A68-V129 HydrophobicContact CB-CB 4.24Å; A68-V129 PolarHBondContact N-O 2.98Å; A68-V129 PolarHBondContact O-N 3.45Å
69W98.2Very high96Very high125 Ų12551.3 Ų51.347%0.47328%0.283SS..EExtended strand (participates in β ladder)trans-130.6144.7172.5176.981.3000109.5L52 S127 F128L52-W69 HydrophobicContact CD1-CB 4.14Å; L52-W69 HydrophobicContact CD2-CB 3.97Å; W69-S127 WeakPolarHBondContact CA-O 3.49Å; W69-F128 AromaticContact CD1-CD1 3.71Å; W69-F128 AromaticContact CD1-CD2 3.95Å; W69-F128 AromaticContact CD1-CE1 3.31Å; W69-F128 AromaticContact CD1-CE2 3.55Å; W69-F128 AromaticContact CD1-CZ 3.22Å; W69-F128 HydrophobicContact CG-CD1 4.48Å; W69-F128 HydrophobicContact CG-CE1 4.18Å; W69-F128 HydrophobicContact CG-CZ 4.38Å; W69-F128 AromaticContact NE1-CE2 3.7Å; W69-F128 AromaticContact NE1-CZ 3.46Å
70A97.7Very high96.4Very high6 Ų646.8 Ų46.85%0.0525%0.252CS..EExtended strand (participates in β ladder)trans-148.4156.316500000110.1Y72 Q74 S126 S127A70-Y72 HydrophobicContact CB-CD1 4.04Å; A70-Y72 HydrophobicContact CB-CD2 4.26Å; A70-Y72 HydrophobicContact CB-CE1 3.84Å; A70-Y72 HydrophobicContact CB-CE2 4.05Å; A70-Y72 HydrophobicContact CB-CG 4.25Å; A70-Y72 PolarHBondContact O-N 3Å; A70-Y72 VanDerWaalsContact O-N 3.13Å; A70-Q74 HydrophobicContact CB-CG 3.5Å; A70-S126 CarbonylContact O-C 3.47Å; A70-S126 VanDerWaalsContact O-CA 3.23Å; A70-S126 WeakPolarHBondContact O-CA 3.38Å; A70-S126 VanDerWaalsContact O-CB 3.26Å; A70-S126 WeakPolarHBondContact O-CB 3.16Å; A70-S127 PolarHBondContact N-O 3.21Å; A70-S127 VanDerWaalsContact N-O 3.13Å; A70-S127 PolarHBondContact O-N 3.16Å
71S97.2Very high96.8Very high82 Ų8240.6 Ų40.657%0.57323%0.226SC*.SBendtrans-71.23.3174.1550000114.4
72Y96.3Very high97.3Very high117 Ų11742.4 Ų42.446%0.45922%0.218SC..SBendtrans-136.5170.5-178.554.8-95.4000110.6A70 Q74 S127A70-Y72 HydrophobicContact CB-CD1 4.04Å; A70-Y72 HydrophobicContact CB-CD2 4.26Å; A70-Y72 HydrophobicContact CB-CE1 3.84Å; A70-Y72 HydrophobicContact CB-CE2 4.05Å; A70-Y72 HydrophobicContact CB-CG 4.25Å; A70-Y72 PolarHBondContact O-N 3Å; A70-Y72 VanDerWaalsContact O-N 3.13Å; Y72-Q74 HydrophobicContact CD2-CG 4.28Å; Y72-Q74 HydrophobicContact CE2-CG 4.02Å; Y72-Q74 PolarHBondContact O-N 3.18Å; Y72-S127 WeakPolarHBondContact O-CB 3.34Å; Y72-S127 PolarHBondContact O-OG 3.5Å
73D95.6Very high97.6Very high92 Ų9239.4 Ų39.449%0.49220%0.196SC..PPolyproline II helixtrans-73.1122.2173.8-169.642.7000111.6K119D73-K119 WeakPolarHBondContact OD1-CD 3.28Å; D73-K119 VanDerWaalsContact OD1-CE 3.25Å; D73-K119 WeakPolarHBondContact OD1-CE 3.42Å; D73-K119 IonicContact OD1-NZ 3.75Å; D73-K119 PolarHBondContact OD1-NZ 2.93Å; D73-K119 IonicContact OD2-NZ 3.44Å; D73-K119 PolarHBondContact OD2-NZ 3.35Å
74Q95.8Very high97.8Very high0 Ų040.2 Ų40.20%020%0.198CC..PPolyproline II helixtrans-92.2125.5-171.5-6516798.400111.8F9 A70 Y72 V79 R82 K119 S127F9-Q74 WeakPolarHBondContact CE2-O 3.45Å; A70-Q74 HydrophobicContact CB-CG 3.5Å; Y72-Q74 HydrophobicContact CD2-CG 4.28Å; Y72-Q74 HydrophobicContact CE2-CG 4.02Å; Y72-Q74 PolarHBondContact O-N 3.18Å; Q74-V79 HydrophobicContact CB-CG2 3.7Å; Q74-V79 HydrophobicContact CG-CG2 4.48Å; Q74-R82 VanDerWaalsContact OE1-CZ 3.23Å; Q74-K119 PolarHBondContact O-NZ 3.15Å; Q74-S127 WeakPolarHBondContact CG-OG 3.34Å; Q74-S127 PolarHBondContact N-OG 2.95Å; Q74-S127 PolarHBondContact NE2-O 3.17Å; Q74-S127 PolarHBondContact NE2-OG 2.57Å
75P96.4Very high97.8Very high53 Ų5343.1 Ų43.134%0.34421%0.211SC..PPolyproline II helixtrans-62.1150165.9-2335.5000111.7K77 D78 V79P75-K77 VanDerWaalsContact C-N 3.32Å; P75-K77 PolarHBondContact O-N 2.88Å; P75-D78 HydrophobicContact CB-CB 4.36Å; P75-D78 WeakPolarHBondContact CD-OD2 3.4Å; P75-D78 WeakPolarHBondContact CG-OD2 3.28Å; P75-D78 PolarHBondContact O-N 3.36Å; P75-V79 WeakPolarHBondContact O-CG2 3.33Å; P75-V79 PolarHBondContact O-N 3.13Å
76G97.2Very high97.8Very high0 Ų043.9 Ų43.90%021%0.214CC..Hα-helixtrans-66-36.3-175.700000113F9 E12 V13 A80F9-G76 VanDerWaalsContact CE2-CA 3.49Å; E12-G76 PolarHBondContact OE2-N 2.68Å; E12-G76 VanDerWaalsContact OE2-N 3.09Å; V13-G76 WeakPolarHBondContact CG2-O 3.37Å; G76-A80 PolarHBondContact O-N 2.97Å
77K97.7Very high97.8Very high102 Ų10245 Ų4544%0.44322%0.221SC..Hα-helixtrans-62.2-50.6175.6-174.1178.6-177.1-62.90111.4P75 V79 A80 D81P75-K77 VanDerWaalsContact C-N 3.32Å; P75-K77 PolarHBondContact O-N 2.88Å; K77-V79 PolarHBondContact O-N 3.24Å; K77-A80 PolarHBondContact O-N 3.32Å; K77-D81 IonicContact NZ-OD1 2.61Å; K77-D81 IonicContact NZ-OD2 2.85Å; K77-D81 PolarHBondContact NZ-OD2 3.07Å; K77-D81 PolarHBondContact O-N 2.64Å
78D98.1Very high97.7Very high68 Ų6851.8 Ų51.836%0.36425%0.25SS..Hα-helixtrans-62.2-30.3-176.8-60.83.2000113.2P75 R82P75-D78 HydrophobicContact CB-CB 4.36Å; P75-D78 WeakPolarHBondContact CD-OD2 3.4Å; P75-D78 WeakPolarHBondContact CG-OD2 3.28Å; P75-D78 PolarHBondContact O-N 3.36Å; D78-R82 WeakPolarHBondContact O-CB 3.22Å; D78-R82 WeakPolarHBondContact O-CG 3.32Å; D78-R82 PolarHBondContact O-N 3.5Å; D78-R82 PolarHBondContact O-NE 2.87Å
79V98.4Very high97.7Very high1 Ų157.9 Ų57.91%0.00628%0.277CS..Hα-helixtrans-67.8-48.7172.21780000110.7A68 Q74 P75 K77 R82 W83 V129A68-V79 HydrophobicContact CB-CG1 3.99Å; Q74-V79 HydrophobicContact CB-CG2 3.7Å; Q74-V79 HydrophobicContact CG-CG2 4.48Å; P75-V79 WeakPolarHBondContact O-CG2 3.33Å; P75-V79 PolarHBondContact O-N 3.13Å; K77-V79 PolarHBondContact O-N 3.24Å; V79-R82 PolarHBondContact O-N 3.34Å; V79-W83 HydrophobicContact CG1-CD2 3.9Å; V79-W83 HydrophobicContact CG1-CE3 3.87Å; V79-W83 HydrophobicContact CG1-CH2 3.45Å; V79-W83 VanDerWaalsContact CG1-CH2 3.45Å; V79-W83 HydrophobicContact CG1-CZ2 3.49Å; V79-W83 VanDerWaalsContact CG1-CZ2 3.49Å; V79-W83 HydrophobicContact CG1-CZ3 3.65Å; V79-W83 PolarHBondContact O-N 3.05Å; V79-W83 VanDerWaalsContact O-N 3.11Å; V79-V129 HydrophobicContact CG1-CB 4.44Å; V79-V129 HydrophobicContact CG1-CG1 4.05Å; V79-V129 HydrophobicContact CG2-CG2 4.06Å
80A98.7Very high97.7Very high0 Ų052.8 Ų52.80%026%0.258CS..Hα-helixtrans-64-41.4-179.800000111.8G76 K77 W83 Y84 M107G76-A80 PolarHBondContact O-N 2.97Å; K77-A80 PolarHBondContact O-N 3.32Å; A80-W83 PolarHBondContact O-N 3.15Å; A80-Y84 WeakPolarHBondContact O-CB 3.5Å; A80-Y84 PolarHBondContact O-N 3.12Å; A80-M107 HydrophobicContact CB-CE 4.07Å; A80-M107 WeakPolarHBondContact O-CE 3.44Å
81D98.6Very high97.6Very high32 Ų3256 Ų5617%0.17127%0.274CS..Hα-helixtrans-63.6-43.9178.5-67.75.6000111.2Y20 K77 W83 Y84 D85Y20-D81 PolarHBondContact OH-OD1 2.91Å; K77-D81 IonicContact NZ-OD1 2.61Å; K77-D81 IonicContact NZ-OD2 2.85Å; K77-D81 PolarHBondContact NZ-OD2 3.07Å; K77-D81 PolarHBondContact O-N 2.64Å; D81-W83 PolarHBondContact O-N 3.43Å; D81-Y84 PolarHBondContact O-N 3.43Å; D81-D85 WeakPolarHBondContact O-CB 3.35Å; D81-D85 PolarHBondContact O-N 2.84Å
82R98.4Very high97.6Very high87 Ų8754.9 Ų54.933%0.32826%0.259SS..Hα-helixtrans-62.9-41.2176.6-82.1-179.5-69.3155.51.4113Q74 D78 V79 Y84Q74-R82 VanDerWaalsContact OE1-CZ 3.23Å; D78-R82 WeakPolarHBondContact O-CB 3.22Å; D78-R82 WeakPolarHBondContact O-CG 3.32Å; D78-R82 PolarHBondContact O-N 3.5Å; D78-R82 PolarHBondContact O-NE 2.87Å; V79-R82 PolarHBondContact O-N 3.34Å; R82-Y84 VanDerWaalsContact C-N 3.35Å
83W98.7Very high97.5Very high8 Ų856.6 Ų56.63%0.0328%0.276CS..Hα-helixtrans-66.7-37.4174-72.1-27.7000112.1H17 N66 L67 A68 V79 A80 D81 H103 F104 M107 V129 A131H17-W83 AromaticContact CE1-CE3 3.98Å; H17-W83 AromaticContact CE1-CZ3 3.94Å; N66-W83 HydrophobicContact CB-CD2 3.87Å; N66-W83 HydrophobicContact CB-CE3 4.12Å; N66-W83 HydrophobicContact CB-CH2 3.85Å; N66-W83 HydrophobicContact CB-CZ2 3.55Å; N66-W83 HydrophobicContact CB-CZ3 4.11Å; L67-W83 PolarHBondContact O-NE1 3.17Å; A68-W83 HydrophobicContact CB-CZ2 3.87Å; V79-W83 HydrophobicContact CG1-CD2 3.9Å; V79-W83 HydrophobicContact CG1-CE3 3.87Å; V79-W83 HydrophobicContact CG1-CH2 3.45Å; V79-W83 VanDerWaalsContact CG1-CH2 3.45Å; V79-W83 HydrophobicContact CG1-CZ2 3.49Å; V79-W83 VanDerWaalsContact CG1-CZ2 3.49Å; V79-W83 HydrophobicContact CG1-CZ3 3.65Å; V79-W83 PolarHBondContact O-N 3.05Å; V79-W83 VanDerWaalsContact O-N 3.11Å; A80-W83 PolarHBondContact O-N 3.15Å; D81-W83 PolarHBondContact O-N 3.43Å; W83-H103 HydrophobicContact CB-CB 3.77Å; W83-H103 AromaticContact CD1-CD2 3.93Å; W83-H103 AromaticContact CD1-CG 3.47Å; W83-H103 VanDerWaalsContact CD1-CG 3.47Å; W83-H103 AromaticContact CD1-ND1 3.68Å; W83-H103 HydrophobicContact CG-CB 3.78Å; W83-H103 AromaticContact NE1-CD2 3.96Å; W83-H103 AromaticContact NE1-CG 3.96Å; W83-F104 WeakPolarHBondContact O-CA 3.44Å; W83-F104 PolarHBondContact O-N 3.39Å; W83-M107 HydrophobicContact CB-CG 4.39Å; W83-M107 HydrophobicContact CB-SD 3.33Å; W83-M107 WeakPolarHBondContact CB-SD 3.4Å; W83-M107 HydrophobicContact CE3-SD 4.37Å; W83-M107 HydrophobicContact CG-SD 4.43Å; W83-V129 HydrophobicContact CH2-CG1 4.04Å; W83-V129 HydrophobicContact CZ2-CG1 4.47Å; W83-A131 HydrophobicContact CH2-CB 3.49Å; W83-A131 VanDerWaalsContact CH2-CB 3.49Å; W83-A131 HydrophobicContact CZ3-CB 3.58Å
84Y98.8Very high97.5Very high26 Ų2661.9 Ų61.910%0.10229%0.289CS..Hα-helixtrans-69.3-34.7178.2-179.4-102.7000112.7Y20 H24 A80 D81 R82 E86 V87 F104 V108Y20-Y84 AromaticContact CD1-CD1 3.45Å; Y20-Y84 HydrophobicContact CD1-CD1 3.45Å; Y20-Y84 VanDerWaalsContact CD1-CD1 3.45Å; Y20-Y84 AromaticContact CD1-CD2 3.49Å; Y20-Y84 HydrophobicContact CD1-CD2 3.49Å; Y20-Y84 VanDerWaalsContact CD1-CD2 3.49Å; Y20-Y84 AromaticContact CD1-CE1 3.39Å; Y20-Y84 HydrophobicContact CD1-CE1 3.39Å; Y20-Y84 AromaticContact CD1-CE2 3.46Å; Y20-Y84 HydrophobicContact CD1-CE2 3.46Å; Y20-Y84 VanDerWaalsContact CD1-CE2 3.46Å; Y20-Y84 AromaticContact CD1-CG 3.47Å; Y20-Y84 HydrophobicContact CD1-CG 3.47Å; Y20-Y84 VanDerWaalsContact CD1-CG 3.47Å; Y20-Y84 AromaticContact CD1-CZ 3.4Å; Y20-Y84 VanDerWaalsContact CD1-CZ 3.4Å; Y20-Y84 HydrophobicContact CD2-CD1 4.4Å; Y20-Y84 AromaticContact CD2-CD2 3.95Å; Y20-Y84 HydrophobicContact CD2-CD2 3.95Å; Y20-Y84 AromaticContact CD2-CG 3.79Å; Y20-Y84 HydrophobicContact CD2-CG 3.79Å; Y20-Y84 AromaticContact CE1-CD1 3.15Å; Y20-Y84 HydrophobicContact CE1-CD1 3.15Å; Y20-Y84 HydrophobicContact CE1-CD2 4.09Å; Y20-Y84 AromaticContact CE1-CE1 3.31Å; Y20-Y84 HydrophobicContact CE1-CE1 3.31Å; Y20-Y84 HydrophobicContact CE1-CE2 4.23Å; Y20-Y84 AromaticContact CE1-CG 3.56Å; Y20-Y84 HydrophobicContact CE1-CG 3.56Å; Y20-Y84 AromaticContact CE1-CZ 3.86Å; Y20-Y84 HydrophobicContact CE2-CD1 4.17Å; Y20-Y84 HydrophobicContact CE2-CD2 4.49Å; Y20-Y84 AromaticContact CE2-CG 3.86Å; Y20-Y84 HydrophobicContact CE2-CG 3.86Å; Y20-Y84 HydrophobicContact CG-CD1 4.07Å; Y20-Y84 AromaticContact CG-CD2 3.42Å; Y20-Y84 HydrophobicContact CG-CD2 3.42Å; Y20-Y84 VanDerWaalsContact CG-CD2 3.42Å; Y20-Y84 HydrophobicContact CG-CE1 4.32Å; Y20-Y84 AromaticContact CG-CE2 3.73Å; Y20-Y84 HydrophobicContact CG-CE2 3.73Å; Y20-Y84 AromaticContact CG-CG 3.59Å; Y20-Y84 HydrophobicContact CG-CG 3.59Å; Y20-Y84 AromaticContact CZ-CD1 3.55Å; Y20-Y84 AromaticContact CZ-CG 3.74Å; H24-Y84 AromaticContact CD2-CE2 3.78Å; H24-Y84 AromaticContact NE2-CE2 3.32Å; H24-Y84 VanDerWaalsContact NE2-CE2 3.32Å; H24-Y84 WeakPolarHBondContact NE2-CE2 3.36Å; H24-Y84 AromaticContact NE2-CZ 3.51Å; H24-Y84 PolarHBondContact NE2-OH 3.35Å; A80-Y84 WeakPolarHBondContact O-CB 3.5Å; A80-Y84 PolarHBondContact O-N 3.12Å; D81-Y84 PolarHBondContact O-N 3.43Å; R82-Y84 VanDerWaalsContact C-N 3.35Å; Y84-E86 PolarHBondContact O-N 3.31Å; Y84-V87 HydrophobicContact CD1-CG1 4.21Å; Y84-V87 HydrophobicContact CE1-CG1 3.81Å; Y84-V87 VanDerWaalsContact O-CB 3.29Å; Y84-V87 WeakPolarHBondContact O-CB 3.49Å; Y84-V87 VanDerWaalsContact O-CG1 3.25Å; Y84-V87 WeakPolarHBondContact O-CG1 3.36Å; Y84-V87 PolarHBondContact O-N 2.99Å; Y84-F104 AromaticContact CD2-CD2 3.93Å; Y84-F104 HydrophobicContact CD2-CD2 3.93Å; Y84-F104 HydrophobicContact CD2-CE2 4.29Å; Y84-F104 HydrophobicContact CE2-CD2 4.05Å; Y84-F104 AromaticContact CE2-CE2 3.94Å; Y84-F104 HydrophobicContact CE2-CE2 3.94Å; Y84-V108 HydrophobicContact CE2-CG1 4.49Å
85D98.5Very high97.5Very high71 Ų7163.7 Ų63.738%0.3830%0.301SS..G310 helixtrans-57.2-21.1-177-105.98.4000114.1D81 V87 K88D81-D85 WeakPolarHBondContact O-CB 3.35Å; D81-D85 PolarHBondContact O-N 2.84Å; D85-V87 PolarHBondContact O-N 3.21Å; D85-V87 VanDerWaalsContact O-N 3.14Å; D85-K88 WeakPolarHBondContact O-CB 3.32Å; D85-K88 WeakPolarHBondContact O-CD 3.26Å; D85-K88 VanDerWaalsContact O-CG 3.28Å; D85-K88 WeakPolarHBondContact O-CG 3.29Å; D85-K88 PolarHBondContact O-N 3.08Å; D85-K88 VanDerWaalsContact O-N 3.12Å; D85-K88 WeakPolarHBondContact OD1-CE 3.46Å; D85-K88 IonicContact OD1-NZ 2.95Å; D85-K88 PolarHBondContact OD1-NZ 3.13Å; D85-K88 IonicContact OD2-NZ 2.93Å; D85-K88 PolarHBondContact OD2-NZ 2.84Å
86E98.6Very high97.4Very high28 Ų2862.3 Ų62.313%0.13130%0.297CS..G310 helixtrans-58.2-18.5169-68.9-173.4176.600113.9Y84 K88 Q89 Y90 G100 T101 G102 H103 F104Y84-E86 PolarHBondContact O-N 3.31Å; E86-K88 PolarHBondContact O-N 3.41Å; E86-K88 VanDerWaalsContact O-N 3.09Å; E86-Q89 PolarHBondContact O-N 2.82Å; E86-Y90 PolarHBondContact O-N 2.79Å; E86-G100 VanDerWaalsContact CB-O 3.28Å; E86-G100 WeakPolarHBondContact CB-O 3.45Å; E86-G100 VanDerWaalsContact CD-O 3.22Å; E86-G100 WeakPolarHBondContact CG-O 3.25Å; E86-T101 WeakPolarHBondContact OE2-CA 3.43Å; E86-G102 PolarHBondContact OE2-N 2.93Å; E86-H103 IonicContact OE1-CE1 2.9Å; E86-H103 IonicContact OE1-CG 3.88Å; E86-H103 IonicContact OE1-ND1 3.9Å; E86-H103 PolarHBondContact OE1-ND1 3.36Å; E86-H103 WeakPolarHBondContact OE2-CA 3.31Å; E86-H103 VanDerWaalsContact OE2-CB 3.28Å; E86-H103 WeakPolarHBondContact OE2-CB 3.4Å; E86-H103 IonicContact OE2-CG 2.7Å; E86-H103 PolarHBondContact OE2-N 3.05Å; E86-H103 IonicContact OE2-ND1 3.78Å; E86-F104 HydrophobicContact CB-CB 3.66Å; E86-F104 PolarHBondContact OE2-N 3.41Å; E86-F104 VanDerWaalsContact OE2-N 3.09Å
87V98.1Very high97.3Very high25 Ų2567.9 Ų67.915%0.15232%0.321CS..G310 helixtrans-52.7-30.9171.671.10000112Y84 D85 Q89 Y90 F92 F104Y84-V87 HydrophobicContact CD1-CG1 4.21Å; Y84-V87 HydrophobicContact CE1-CG1 3.81Å; Y84-V87 VanDerWaalsContact O-CB 3.29Å; Y84-V87 WeakPolarHBondContact O-CB 3.49Å; Y84-V87 VanDerWaalsContact O-CG1 3.25Å; Y84-V87 WeakPolarHBondContact O-CG1 3.36Å; Y84-V87 PolarHBondContact O-N 2.99Å; D85-V87 PolarHBondContact O-N 3.21Å; D85-V87 VanDerWaalsContact O-N 3.14Å; V87-Q89 PolarHBondContact O-N 2.77Å; V87-Y90 PolarHBondContact O-N 3.17Å; V87-Y90 VanDerWaalsContact O-N 3.08Å; V87-F92 HydrophobicContact CG2-CE2 4.16Å; V87-F92 HydrophobicContact CG2-CZ 3.93Å; V87-F104 HydrophobicContact CB-CD1 4.48Å; V87-F104 HydrophobicContact CB-CD2 3.7Å; V87-F104 HydrophobicContact CB-CE2 3.75Å; V87-F104 HydrophobicContact CB-CG 4.09Å; V87-F104 HydrophobicContact CB-CZ 4.19Å; V87-F104 HydrophobicContact CG2-CD2 4.09Å; V87-F104 HydrophobicContact CG2-CE1 4.26Å; V87-F104 HydrophobicContact CG2-CE2 3.6Å; V87-F104 HydrophobicContact CG2-CZ 3.7Å
88K97.4Very high97.1Very high155 Ų15565.4 Ų65.467%0.67432%0.317SS*.G310 helixtrans-62.2-22.2177.5-62.6167.4-172.7166.60112.6D85 E86D85-K88 WeakPolarHBondContact O-CB 3.32Å; D85-K88 WeakPolarHBondContact O-CD 3.26Å; D85-K88 VanDerWaalsContact O-CG 3.28Å; D85-K88 WeakPolarHBondContact O-CG 3.29Å; D85-K88 PolarHBondContact O-N 3.08Å; D85-K88 VanDerWaalsContact O-N 3.12Å; D85-K88 WeakPolarHBondContact OD1-CE 3.46Å; D85-K88 IonicContact OD1-NZ 2.95Å; D85-K88 PolarHBondContact OD1-NZ 3.13Å; D85-K88 IonicContact OD2-NZ 2.93Å; D85-K88 PolarHBondContact OD2-NZ 2.84Å; E86-K88 PolarHBondContact O-N 3.41Å; E86-K88 VanDerWaalsContact O-N 3.09Å
89Q97.4Very high96.7Very high138 Ų13867.8 Ų67.865%0.64534%0.339SS*.G310 helixtrans-102-8.8178.7-56.5-177.120.400112.6E86 V87 T101E86-Q89 PolarHBondContact O-N 2.82Å; V87-Q89 PolarHBondContact O-N 2.77Å; Q89-T101 HydrophobicContact CB-CG2 3.94Å
90Y97.9Very high96.5Very high17 Ų1768.6 Ų68.67%0.06735%0.348CS..  trans-83125.3-175.6-166.1-100.8000112E86 V87 F92 P95 G96 T101 F104 T105 F145 V149E86-Y90 PolarHBondContact O-N 2.79Å; V87-Y90 PolarHBondContact O-N 3.17Å; V87-Y90 VanDerWaalsContact O-N 3.08Å; Y90-F92 AromaticContact CD1-CD1 3.68Å; Y90-F92 HydrophobicContact CD1-CD1 3.68Å; Y90-F92 HydrophobicContact CD1-CD2 4.13Å; Y90-F92 AromaticContact CD1-CE1 3.61Å; Y90-F92 HydrophobicContact CD1-CE1 3.61Å; Y90-F92 HydrophobicContact CD1-CE2 4.07Å; Y90-F92 AromaticContact CD1-CG 3.94Å; Y90-F92 HydrophobicContact CD1-CG 3.94Å; Y90-F92 AromaticContact CD1-CZ 3.81Å; Y90-F92 HydrophobicContact CD1-CZ 3.81Å; Y90-F92 AromaticContact CE1-CD1 3.7Å; Y90-F92 HydrophobicContact CE1-CD1 3.7Å; Y90-F92 AromaticContact CE1-CE1 3.88Å; Y90-F92 HydrophobicContact CE1-CE1 3.88Å; Y90-F92 HydrophobicContact CE1-CG 4.22Å; Y90-P95 WeakPolarHBondContact OH-CA 3.47Å; Y90-P95 WeakPolarHBondContact OH-CB 3.39Å; Y90-G96 WeakPolarHBondContact CE2-O 3.47Å; Y90-G96 PolarHBondContact OH-N 2.84Å; Y90-T101 HydrophobicContact CD2-CG2 3.9Å; Y90-T101 HydrophobicContact CG-CG2 4.48Å; Y90-F104 AromaticContact CD1-CE1 3.8Å; Y90-F104 HydrophobicContact CD1-CE1 3.8Å; Y90-F104 HydrophobicContact CD2-CD1 4.22Å; Y90-F104 HydrophobicContact CD2-CE1 4.12Å; Y90-F104 HydrophobicContact CE1-CE1 4.4Å; Y90-F104 HydrophobicContact CG-CD1 4.03Å; Y90-F104 AromaticContact CG-CE1 3.63Å; Y90-F104 HydrophobicContact CG-CE1 3.63Å; Y90-T105 HydrophobicContact CD2-CG2 3.8Å; Y90-T105 HydrophobicContact CE2-CG2 3.42Å; Y90-T105 VanDerWaalsContact CE2-CG2 3.42Å; Y90-F145 HydrophobicContact CE2-CD1 4.5Å; Y90-F145 WeakPolarHBondContact OH-CD1 3.38Å; Y90-V149 HydrophobicContact CD1-CG1 4.22Å; Y90-V149 HydrophobicContact CE1-CB 4.38Å; Y90-V149 HydrophobicContact CE1-CG1 3.59Å; Y90-V149 HydrophobicContact CE2-CG1 4.47Å
91N96.5Very high96.5Very high75 Ų7568.7 Ų68.740%0.40135%0.348SS..  trans-95.5101175.4-173.5-13.6000110.8N93 R94N91-N93 PolarHBondContact O-N 3.13Å; N91-N93 WeakPolarHBondContact OD1-CA 3.3Å; N91-N93 WeakPolarHBondContact OD1-CB 3.44Å; N91-N93 PolarHBondContact OD1-N 2.65Å; N91-R94 HydrophobicContact CB-CB 4.37Å; N91-R94 CarbonylContact O-C 3.53Å; N91-R94 PolarHBondContact O-N 2.86Å; N91-R94 PolarHBondContact OD1-N 3.04Å
92F96.2Very high96.4Very high57 Ų5767.5 Ų67.525%0.2534%0.344CS..THydrogen-bonded Turntrans-63.6-20.4178.2-64.7-82.3000114.2H24 V87 Y90 R94 F104 V149 L150 P151H24-F92 AromaticContact CE1-CZ 3.95Å; V87-F92 HydrophobicContact CG2-CE2 4.16Å; V87-F92 HydrophobicContact CG2-CZ 3.93Å; Y90-F92 AromaticContact CD1-CD1 3.68Å; Y90-F92 HydrophobicContact CD1-CD1 3.68Å; Y90-F92 HydrophobicContact CD1-CD2 4.13Å; Y90-F92 AromaticContact CD1-CE1 3.61Å; Y90-F92 HydrophobicContact CD1-CE1 3.61Å; Y90-F92 HydrophobicContact CD1-CE2 4.07Å; Y90-F92 AromaticContact CD1-CG 3.94Å; Y90-F92 HydrophobicContact CD1-CG 3.94Å; Y90-F92 AromaticContact CD1-CZ 3.81Å; Y90-F92 HydrophobicContact CD1-CZ 3.81Å; Y90-F92 AromaticContact CE1-CD1 3.7Å; Y90-F92 HydrophobicContact CE1-CD1 3.7Å; Y90-F92 AromaticContact CE1-CE1 3.88Å; Y90-F92 HydrophobicContact CE1-CE1 3.88Å; Y90-F92 HydrophobicContact CE1-CG 4.22Å; F92-R94 VanDerWaalsContact C-N 3.33Å; F92-F104 HydrophobicContact CE1-CE1 4.43Å; F92-F104 HydrophobicContact CE1-CZ 4.11Å; F92-F104 HydrophobicContact CZ-CE1 4.25Å; F92-F104 AromaticContact CZ-CZ 3.83Å; F92-F104 HydrophobicContact CZ-CZ 3.83Å; F92-V149 HydrophobicContact CE1-CG1 4.21Å; F92-L150 WeakPolarHBondContact CE1-O 3.37Å; F92-P151 HydrophobicContact CD1-CB 4Å; F92-P151 HydrophobicContact CE1-CB 4.39Å; F92-P151 HydrophobicContact CG-CB 4.11Å
93N95.4Very high96.4Very high154 Ų15465.6 Ų65.682%0.82434%0.338SS*.THydrogen-bonded Turntrans-84.4-10.8174.9-60.1-41.1000112.7N91N91-N93 PolarHBondContact O-N 3.13Å; N91-N93 WeakPolarHBondContact OD1-CA 3.3Å; N91-N93 WeakPolarHBondContact OD1-CB 3.44Å; N91-N93 PolarHBondContact OD1-N 2.65Å
94R94.9Very high96.4Very high202 Ų20265.2 Ų65.276%0.76234%0.337SS*.SBendtrans-134.464.5175.3-65.9-175.165.3-155.2-2.3109.4N91 F92N91-R94 HydrophobicContact CB-CB 4.37Å; N91-R94 CarbonylContact O-C 3.53Å; N91-R94 PolarHBondContact O-N 2.86Å; N91-R94 PolarHBondContact OD1-N 3.04Å; F92-R94 VanDerWaalsContact C-N 3.33Å
95P94.9Very high96.4Very high38 Ų3864 Ų6425%0.24733%0.332CS..  trans-65.3138.4-173.126.6-32.3000110.9Y90 F145 D146Y90-P95 WeakPolarHBondContact OH-CA 3.47Å; Y90-P95 WeakPolarHBondContact OH-CB 3.39Å; P95-F145 HydrophobicContact CB-CB 3.96Å; P95-D146 HydrophobicContact CG-CB 4.44Å; P95-D146 VanDerWaalsContact CG-CG 3.42Å; P95-D146 WeakPolarHBondContact CG-OD1 3.46Å
96G94.7Very high96.4Very high25 Ų2560.7 Ų60.726%0.25832%0.315SS..  trans171.3-179.4179.200000112Y90 F145Y90-G96 WeakPolarHBondContact CE2-O 3.47Å; Y90-G96 PolarHBondContact OH-N 2.84Å; G96-F145 WeakPolarHBondContact O-CD1 3.38Å; G96-F145 VanDerWaalsContact O-CE1 3.32Å; G96-F145 WeakPolarHBondContact O-CE1 3.26Å
97F94.4Very high96.4Very high116 Ų11659.4 Ų59.451%0.50931%0.309SS..  trans-81.4138.4173.9-178.9-100.3000110.8N138 T140 F145F97-N138 HydrophobicContact CD2-CB 4.45Å; F97-T140 HydrophobicContact CB-CG2 3.92Å; F97-T140 HydrophobicContact CG-CG2 4.45Å; F97-F145 HydrophobicContact CB-CE1 4.43Å; F97-F145 HydrophobicContact CB-CE2 4.09Å; F97-F145 HydrophobicContact CB-CZ 3.65Å; F97-F145 HydrophobicContact CD2-CZ 4.3Å; F97-F145 HydrophobicContact CG-CZ 4.49Å
98S94.5Very high96.4Very high51 Ų5158.2 Ų58.236%0.35730%0.301SS..  trans-140.9153.6162.5840000108.9G100 T101 G102S98-G100 PolarHBondContact O-N 2.93Å; S98-T101 PolarHBondContact O-N 2.89Å; S98-T101 PolarHBondContact O-OG1 3.32Å; S98-T101 WeakPolarHBondContact OG-CB 3.23Å; S98-T101 VanDerWaalsContact OG-CG2 3.28Å; S98-T101 WeakPolarHBondContact OG-CG2 3.27Å; S98-T101 PolarHBondContact OG-N 2.93Å; S98-T101 PolarHBondContact OG-OG1 2.91Å; S98-G102 PolarHBondContact O-N 2.92Å
99S90.2Very high96.5Very high117 Ų11751 Ų5182%0.81827%0.27SS*.THydrogen-bonded Turntrans-62.3-26.9179.651.40000113.3
100G94.1Very high96.6Very high19 Ų1948.7 Ų48.720%0.19626%0.258CS..THydrogen-bonded Turntrans-89.70.7178.800000114.9E86 S98E86-G100 VanDerWaalsContact CB-O 3.28Å; E86-G100 WeakPolarHBondContact CB-O 3.45Å; E86-G100 VanDerWaalsContact CD-O 3.22Å; E86-G100 WeakPolarHBondContact CG-O 3.25Å; S98-G100 PolarHBondContact O-N 2.93Å
101T97.6Very high96.6Very high1 Ų149.1 Ų49.11%0.00627%0.267CS..THydrogen-bonded Turntrans-128.9-1.9-177.466.10000114.4E86 Q89 Y90 S98 H103 F104 T105E86-T101 WeakPolarHBondContact OE2-CA 3.43Å; Q89-T101 HydrophobicContact CB-CG2 3.94Å; Y90-T101 HydrophobicContact CD2-CG2 3.9Å; Y90-T101 HydrophobicContact CG-CG2 4.48Å; S98-T101 PolarHBondContact O-N 2.89Å; S98-T101 PolarHBondContact O-OG1 3.32Å; S98-T101 WeakPolarHBondContact OG-CB 3.23Å; S98-T101 VanDerWaalsContact OG-CG2 3.28Å; S98-T101 WeakPolarHBondContact OG-CG2 3.27Å; S98-T101 PolarHBondContact OG-N 2.93Å; S98-T101 PolarHBondContact OG-OG1 2.91Å; T101-H103 VanDerWaalsContact C-N 3.31Å; T101-H103 PolarHBondContact O-N 3.26Å; T101-F104 PolarHBondContact O-N 3.41Å; T101-T105 WeakPolarHBondContact O-CG2 3.48Å; T101-T105 PolarHBondContact O-N 3.05Å; T101-T105 PolarHBondContact O-OG1 3.43Å
102G97.4Very high96.7Very high8 Ų845.6 Ų45.68%0.08225%0.248CC..Hα-helixtrans-63.9-33.1-172.600000113.6E86 S98 T105 A106 N138E86-G102 PolarHBondContact OE2-N 2.93Å; S98-G102 PolarHBondContact O-N 2.92Å; G102-T105 PolarHBondContact O-OG1 2.75Å; G102-A106 WeakPolarHBondContact O-CB 3.23Å; G102-A106 PolarHBondContact O-N 2.94Å; G102-A106 VanDerWaalsContact O-N 3.13Å; G102-N138 PolarHBondContact O-ND2 2.88Å
103H98.5Very high96.8Very high47 Ų4747.8 Ų47.822%0.21826%0.258CS..Hα-helixtrans-72.3-45.9178.5-58.8129000110.9N66 W83 E86 T101 A106 M107N66-H103 VanDerWaalsContact CG-CD2 3.45Å; N66-H103 WeakPolarHBondContact ND2-CA 3.38Å; N66-H103 PolarHBondContact ND2-O 3.09Å; N66-H103 VanDerWaalsContact ND2-O 3.07Å; W83-H103 HydrophobicContact CB-CB 3.77Å; W83-H103 AromaticContact CD1-CD2 3.93Å; W83-H103 AromaticContact CD1-CG 3.47Å; W83-H103 VanDerWaalsContact CD1-CG 3.47Å; W83-H103 AromaticContact CD1-ND1 3.68Å; W83-H103 HydrophobicContact CG-CB 3.78Å; W83-H103 AromaticContact NE1-CD2 3.96Å; W83-H103 AromaticContact NE1-CG 3.96Å; E86-H103 IonicContact OE1-CE1 2.9Å; E86-H103 IonicContact OE1-CG 3.88Å; E86-H103 IonicContact OE1-ND1 3.9Å; E86-H103 PolarHBondContact OE1-ND1 3.36Å; E86-H103 WeakPolarHBondContact OE2-CA 3.31Å; E86-H103 VanDerWaalsContact OE2-CB 3.28Å; E86-H103 WeakPolarHBondContact OE2-CB 3.4Å; E86-H103 IonicContact OE2-CG 2.7Å; E86-H103 PolarHBondContact OE2-N 3.05Å; E86-H103 IonicContact OE2-ND1 3.78Å; T101-H103 VanDerWaalsContact C-N 3.31Å; T101-H103 PolarHBondContact O-N 3.26Å; H103-A106 PolarHBondContact O-N 2.85Å; H103-M107 WeakPolarHBondContact O-CG 3.24Å; H103-M107 PolarHBondContact O-N 3.26Å; H103-M107 VanDerWaalsContact O-N 3.08Å
104F98.8Very high97Very high0 Ų045.4 Ų45.40%024%0.24CC..Hα-helixtrans-56.7-51.6175155.4-105.8000110.9H24 W83 Y84 E86 V87 Y90 F92 T101 A106 M107 V108 V149H24-F104 AromaticContact CE1-CE2 3.73Å; H24-F104 AromaticContact CE1-CZ 3.82Å; H24-F104 AromaticContact NE2-CE2 3.77Å; W83-F104 WeakPolarHBondContact O-CA 3.44Å; W83-F104 PolarHBondContact O-N 3.39Å; Y84-F104 AromaticContact CD2-CD2 3.93Å; Y84-F104 HydrophobicContact CD2-CD2 3.93Å; Y84-F104 HydrophobicContact CD2-CE2 4.29Å; Y84-F104 HydrophobicContact CE2-CD2 4.05Å; Y84-F104 AromaticContact CE2-CE2 3.94Å; Y84-F104 HydrophobicContact CE2-CE2 3.94Å; E86-F104 HydrophobicContact CB-CB 3.66Å; E86-F104 PolarHBondContact OE2-N 3.41Å; E86-F104 VanDerWaalsContact OE2-N 3.09Å; V87-F104 HydrophobicContact CB-CD1 4.48Å; V87-F104 HydrophobicContact CB-CD2 3.7Å; V87-F104 HydrophobicContact CB-CE2 3.75Å; V87-F104 HydrophobicContact CB-CG 4.09Å; V87-F104 HydrophobicContact CB-CZ 4.19Å; V87-F104 HydrophobicContact CG2-CD2 4.09Å; V87-F104 HydrophobicContact CG2-CE1 4.26Å; V87-F104 HydrophobicContact CG2-CE2 3.6Å; V87-F104 HydrophobicContact CG2-CZ 3.7Å; Y90-F104 AromaticContact CD1-CE1 3.8Å; Y90-F104 HydrophobicContact CD1-CE1 3.8Å; Y90-F104 HydrophobicContact CD2-CD1 4.22Å; Y90-F104 HydrophobicContact CD2-CE1 4.12Å; Y90-F104 HydrophobicContact CE1-CE1 4.4Å; Y90-F104 HydrophobicContact CG-CD1 4.03Å; Y90-F104 AromaticContact CG-CE1 3.63Å; Y90-F104 HydrophobicContact CG-CE1 3.63Å; F92-F104 HydrophobicContact CE1-CE1 4.43Å; F92-F104 HydrophobicContact CE1-CZ 4.11Å; F92-F104 HydrophobicContact CZ-CE1 4.25Å; F92-F104 AromaticContact CZ-CZ 3.83Å; F92-F104 HydrophobicContact CZ-CZ 3.83Å; T101-F104 PolarHBondContact O-N 3.41Å; F104-A106 VanDerWaalsContact C-N 3.28Å; F104-A106 PolarHBondContact O-N 2.85Å; F104-M107 WeakPolarHBondContact O-CB 3.32Å; F104-M107 PolarHBondContact O-N 3.19Å; F104-V108 HydrophobicContact CD2-CG1 4.19Å; F104-V108 HydrophobicContact CD2-CG2 4.22Å; F104-V108 HydrophobicContact CE1-CG2 4.25Å; F104-V108 HydrophobicContact CE2-CB 4.35Å; F104-V108 HydrophobicContact CE2-CG1 3.78Å; F104-V108 HydrophobicContact CE2-CG2 3.65Å; F104-V108 HydrophobicContact CZ-CG2 3.66Å; F104-V108 PolarHBondContact O-N 3.4Å; F104-V108 VanDerWaalsContact O-N 3.11Å; F104-V149 HydrophobicContact CE1-CG1 3.6Å; F104-V149 HydrophobicContact CZ-CG1 3.88Å
105T98.6Very high97.1Very high0 Ų035.8 Ų35.80%020%0.204CC..Hα-helixtrans-64.4-33.7-176.256.20000112.3Y90 T101 G102 W109 N138 F145 V149Y90-T105 HydrophobicContact CD2-CG2 3.8Å; Y90-T105 HydrophobicContact CE2-CG2 3.42Å; Y90-T105 VanDerWaalsContact CE2-CG2 3.42Å; T101-T105 WeakPolarHBondContact O-CG2 3.48Å; T101-T105 PolarHBondContact O-N 3.05Å; T101-T105 PolarHBondContact O-OG1 3.43Å; G102-T105 PolarHBondContact O-OG1 2.75Å; T105-W109 WeakPolarHBondContact O-CB 3.38Å; T105-W109 PolarHBondContact O-N 2.83Å; T105-N138 VanDerWaalsContact CB-OD1 3.29Å; T105-N138 WeakPolarHBondContact CB-OD1 3.49Å; T105-N138 PolarHBondContact OG1-OD1 2.9Å; T105-F145 HydrophobicContact CG2-CD1 4.24Å; T105-F145 HydrophobicContact CG2-CE1 3.92Å; T105-V149 HydrophobicContact CG2-CG1 3.96Å; T105-V149 HydrophobicContact CG2-CG2 3.89Å
106A98.6Very high97.3Very high2 Ų234 Ų342%0.01719%0.192CC..Hα-helixtrans-65.5-40.7173.100000112.4N66 G102 H103 F104 Y133 N138N66-A106 WeakPolarHBondContact OD1-CB 3.29Å; G102-A106 WeakPolarHBondContact O-CB 3.23Å; G102-A106 PolarHBondContact O-N 2.94Å; G102-A106 VanDerWaalsContact O-N 3.13Å; H103-A106 PolarHBondContact O-N 2.85Å; F104-A106 VanDerWaalsContact C-N 3.28Å; F104-A106 PolarHBondContact O-N 2.85Å; A106-Y133 HydrophobicContact CB-CD2 4.12Å; A106-Y133 HydrophobicContact CB-CE2 3.82Å; A106-N138 PolarHBondContact N-OD1 2.65Å
107M98.8Very high97.5Very high0 Ų032.9 Ų32.90%018%0.181CC..Hα-helixtrans-62.4-45.9178.4-71.6179.468.400112.1Y20 R21 A80 W83 H103 F104Y20-M107 HydrophobicContact CD2-CE 3.91Å; R21-M107 WeakPolarHBondContact CD-O 3.16Å; R21-M107 VanDerWaalsContact CG-O 3.26Å; R21-M107 WeakPolarHBondContact CG-O 3.39Å; R21-M107 PolarHBondContact NH1-O 3.32Å; A80-M107 HydrophobicContact CB-CE 4.07Å; A80-M107 WeakPolarHBondContact O-CE 3.44Å; W83-M107 HydrophobicContact CB-CG 4.39Å; W83-M107 HydrophobicContact CB-SD 3.33Å; W83-M107 WeakPolarHBondContact CB-SD 3.4Å; W83-M107 HydrophobicContact CE3-SD 4.37Å; W83-M107 HydrophobicContact CG-SD 4.43Å; H103-M107 WeakPolarHBondContact O-CG 3.24Å; H103-M107 PolarHBondContact O-N 3.26Å; H103-M107 VanDerWaalsContact O-N 3.08Å; F104-M107 WeakPolarHBondContact O-CB 3.32Å; F104-M107 PolarHBondContact O-N 3.19Å
108V98.7Very high97.7Very high0 Ų027.5 Ų27.50%016%0.157CC..Hα-helixtrans-91.6-0.3-174.3-56.90000114.1H24 A26 Y84 F104 K110 V149H24-V108 HydrophobicContact CB-CB 4.01Å; H24-V108 HydrophobicContact CB-CG1 4.08Å; A26-V108 VanDerWaalsContact CB-O 3.28Å; A26-V108 WeakPolarHBondContact CB-O 3.39Å; Y84-V108 HydrophobicContact CE2-CG1 4.49Å; F104-V108 HydrophobicContact CD2-CG1 4.19Å; F104-V108 HydrophobicContact CD2-CG2 4.22Å; F104-V108 HydrophobicContact CE1-CG2 4.25Å; F104-V108 HydrophobicContact CE2-CB 4.35Å; F104-V108 HydrophobicContact CE2-CG1 3.78Å; F104-V108 HydrophobicContact CE2-CG2 3.65Å; F104-V108 HydrophobicContact CZ-CG2 3.66Å; F104-V108 PolarHBondContact O-N 3.4Å; F104-V108 VanDerWaalsContact O-N 3.11Å; V108-K110 PolarHBondContact O-N 2.82Å; V108-V149 HydrophobicContact CG2-CG1 3.93Å
109W98.8Very high97.8Very high5 Ų527.5 Ų27.52%0.01915%0.151CC..  trans-54110.8-178.1-162.1-99.5000112.3R21 T105 G111 S112 G137 I139 H144 F145 N148 V149R21-W109 PolarHBondContact NH1-O 3.47Å; R21-W109 PolarHBondContact NH2-O 3.06Å; R21-W109 VanDerWaalsContact NH2-O 3.15Å; T105-W109 WeakPolarHBondContact O-CB 3.38Å; T105-W109 PolarHBondContact O-N 2.83Å; W109-G111 PolarHBondContact O-N 2.97Å; W109-S112 PolarHBondContact O-N 3.5Å; W109-S112 VanDerWaalsContact O-N 3.11Å; W109-G137 VanDerWaalsContact CD1-CA 3.47Å; W109-G137 VanDerWaalsContact CG-CA 3.49Å; W109-I139 HydrophobicContact CH2-CB 4.49Å; W109-I139 HydrophobicContact CZ2-CB 4.21Å; W109-I139 HydrophobicContact CZ2-CG1 4.44Å; W109-H144 HydrophobicContact CH2-CB 3.9Å; W109-H144 HydrophobicContact CZ2-CB 4.07Å; W109-F145 HydrophobicContact CH2-CD2 4.22Å; W109-F145 HydrophobicContact CH2-CE2 4.34Å; W109-F145 HydrophobicContact CH2-CG 4.4Å; W109-F145 AromaticContact CZ3-CD1 3.95Å; W109-F145 HydrophobicContact CZ3-CD1 3.95Å; W109-F145 HydrophobicContact CZ3-CD2 4.25Å; W109-F145 HydrophobicContact CZ3-CE1 4.01Å; W109-F145 HydrophobicContact CZ3-CE2 4.28Å; W109-F145 HydrophobicContact CZ3-CG 4.08Å; W109-F145 HydrophobicContact CZ3-CZ 4.17Å; W109-N148 WeakPolarHBondContact CA-O 3.44Å; W109-N148 HydrophobicContact CD2-CB 3.38Å; W109-N148 VanDerWaalsContact CE2-CB 3.4Å; W109-N148 HydrophobicContact CE3-CB 3.62Å; W109-N148 HydrophobicContact CG-CB 3.94Å; W109-N148 HydrophobicContact CH2-CB 3.94Å; W109-N148 HydrophobicContact CZ2-CB 3.71Å; W109-N148 HydrophobicContact CZ3-CB 3.89Å; W109-N148 PolarHBondContact NE1-OD1 3.27Å; W109-V149 HydrophobicContact CE3-CG2 3.77Å; W109-V149 HydrophobicContact CZ3-CG2 3.93Å
110K98.5Very high98.2Very high89 Ų8922.6 Ų22.639%0.38712%0.117SC..THydrogen-bonded Turntrans-57.2-36-175.3-170.6-179.8179.6-179.70113.4V108 S112 K113 N148 L150V108-K110 PolarHBondContact O-N 2.82Å; K110-S112 VanDerWaalsContact C-N 3.34Å; K110-S112 PolarHBondContact O-N 2.63Å; K110-K113 PolarHBondContact O-NZ 3.04Å; K110-N148 HydrophobicContact CB-CB 4.32Å; K110-N148 PolarHBondContact N-O 2.93Å; K110-L150 HydrophobicContact CD-CD1 4.41Å
111G98.3Very high98.3Very high25 Ų2525.3 Ų25.326%0.25813%0.133SC..THydrogen-bonded Turntrans-67.8-28.5179.200000114.2W109 K113 N148W109-G111 PolarHBondContact O-N 2.97Å; G111-K113 VanDerWaalsContact O-CE 3.25Å; G111-K113 WeakPolarHBondContact O-CE 3.29Å; G111-K113 WeakPolarHBondContact O-CG 3.5Å; G111-N148 WeakPolarHBondContact CA-OD1 3.41Å; G111-N148 PolarHBondContact N-OD1 3.06Å
112S98.7Very high98.3Very high1 Ų125.6 Ų25.61%0.00714%0.136CC..  trans-72.5137.9-178.4-61.30000110.7R21 L29 W109 K110 P135R21-S112 PolarHBondContact NH2-O 2.85Å; L29-S112 VanDerWaalsContact CD2-C 3.48Å; L29-S112 VanDerWaalsContact CD2-O 3.27Å; L29-S112 WeakPolarHBondContact CD2-O 3.48Å; W109-S112 PolarHBondContact O-N 3.5Å; W109-S112 VanDerWaalsContact O-N 3.11Å; K110-S112 VanDerWaalsContact C-N 3.34Å; K110-S112 PolarHBondContact O-N 2.63Å; S112-P135 PolarHBondContact OG-O 2.97Å
113K98.7Very high98.2Very high103 Ų10331.4 Ų31.445%0.44817%0.172SC..  trans-121.2-29.2-172.2-54.9-55.5176.4-160.80113.5L29 K30 K110 G111 F134L29-K113 WeakPolarHBondContact CA-O 3.28Å; K30-K113 PolarHBondContact N-O 3.38Å; K110-K113 PolarHBondContact O-NZ 3.04Å; G111-K113 VanDerWaalsContact O-CE 3.25Å; G111-K113 WeakPolarHBondContact O-CE 3.29Å; G111-K113 WeakPolarHBondContact O-CG 3.5Å; K113-F134 PolarHBondContact N-O 2.87Å
114K98.8Very high98Very high104 Ų10433.6 Ų33.645%0.45219%0.185SC..EExtended strand (participates in β ladder)trans-123.2143.6-176.8-61.9-178.6-177.6177.20110.7K30 L35 Y133 F134K30-K114 CarbonylContact O-C 3.59Å; K30-K114 VanDerWaalsContact O-CA 3.26Å; K30-K114 WeakPolarHBondContact O-CA 3.37Å; L35-K114 HydrophobicContact CD1-CB 3.88Å; K114-Y133 WeakPolarHBondContact O-CA 3.18Å; K114-F134 HydrophobicContact CB-CB 4.4Å; K114-F134 PolarHBondContact N-O 3.26Å; K114-F134 PolarHBondContact O-N 3.28Å
115L98.8Very high97.8Very high0 Ų035.6 Ų35.60%021%0.206CC..EExtended strand (participates in β ladder)trans-117.2135.1172.2178.662.6000109V13 L14 L29 K30 L31 S32 A131 R132 Y133V13-L115 HydrophobicContact CG1-CD2 4.11Å; L14-L115 HydrophobicContact CB-CD2 4.38Å; L14-L115 HydrophobicContact CD1-CB 4.33Å; L14-L115 HydrophobicContact CD1-CD2 3.93Å; L29-L115 HydrophobicContact CB-CB 4.09Å; L29-L115 HydrophobicContact CD1-CB 4Å; K30-L115 PolarHBondContact O-N 3.48Å; L31-L115 CarbonylContact C-O 3.52Å; L31-L115 VanDerWaalsContact CA-O 3.3Å; L31-L115 WeakPolarHBondContact CA-O 3.43Å; S32-L115 PolarHBondContact N-O 2.95Å; L115-A131 HydrophobicContact CD1-CB 4.09Å; L115-R132 CarbonylContact C-O 3.14Å; L115-R132 WeakPolarHBondContact CA-O 3.35Å; L115-Y133 HydrophobicContact CD1-CD1 3.88Å; L115-Y133 HydrophobicContact CD1-CE1 3.58Å
116G98.5Very high97.8Very high0 Ų035.7 Ų35.70%021%0.207CC..EExtended strand (participates in β ladder)trans-118.1145.915700000109.3S36 A131 R132S36-G116 WeakPolarHBondContact OG-CA 3.38Å; G116-A131 CarbonylContact O-C 3.55Å; G116-A131 VanDerWaalsContact O-CA 3.32Å; G116-A131 WeakPolarHBondContact O-CA 3.5Å; G116-R132 PolarHBondContact N-O 3.41Å; G116-R132 PolarHBondContact O-N 2.87Å
117V98.7Very high97.7Very high3 Ų335.6 Ų35.62%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-142.7141.5174.970.10000110.4F9 V13 S36 V129 V130 A131F9-V117 HydrophobicContact CD1-CG1 4.43Å; F9-V117 HydrophobicContact CE1-CG1 4.26Å; F9-V117 HydrophobicContact CE1-CG2 3.77Å; F9-V117 HydrophobicContact CZ-CG2 4.35Å; V13-V117 HydrophobicContact CB-CG1 4.19Å; V13-V117 HydrophobicContact CG1-CB 4.32Å; V13-V117 HydrophobicContact CG1-CG1 4.27Å; V13-V117 HydrophobicContact CG1-CG2 4.12Å; V13-V117 HydrophobicContact CG2-CG1 4.36Å; V13-V117 HydrophobicContact CG2-CG2 4.25Å; S36-V117 WeakPolarHBondContact CB-O 3.4Å; S36-V117 PolarHBondContact OG-N 2.84Å; V117-V129 HydrophobicContact CG2-CG1 3.94Å; V117-V130 CarbonylContact C-O 3.56Å; V117-V130 VanDerWaalsContact CA-O 3.29Å; V117-V130 WeakPolarHBondContact CA-O 3.41Å; V117-V130 WeakPolarHBondContact CG2-O 3.32Å; V117-A131 HydrophobicContact CG2-CB 4.33Å
118G98Very high97.7Very high2 Ų235.7 Ų35.72%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-139.1150.917600000110.9T40 V129 V130T40-G118 WeakPolarHBondContact OG1-CA 3.29Å; G118-V129 WeakPolarHBondContact O-CA 3.41Å; G118-V130 PolarHBondContact N-O 2.98Å; G118-V130 PolarHBondContact O-N 3.36Å
119K98.1Very high97.7Very high52 Ų5235.7 Ų35.723%0.22621%0.207CC..EExtended strand (participates in β ladder)trans-133.7141.1176.5179.2172.165.3165.90108.8F9 D73 Q74 F128 V129F9-K119 HydrophobicContact CD1-CB 4.24Å; F9-K119 HydrophobicContact CD2-CD 4.35Å; F9-K119 HydrophobicContact CE1-CB 3.74Å; F9-K119 HydrophobicContact CE2-CB 4.46Å; F9-K119 HydrophobicContact CE2-CD 3.92Å; F9-K119 HydrophobicContact CZ-CB 3.87Å; F9-K119 HydrophobicContact CZ-CD 4.12Å; F9-K119 HydrophobicContact CZ-CG 4.5Å; D73-K119 WeakPolarHBondContact OD1-CD 3.28Å; D73-K119 VanDerWaalsContact OD1-CE 3.25Å; D73-K119 WeakPolarHBondContact OD1-CE 3.42Å; D73-K119 IonicContact OD1-NZ 3.75Å; D73-K119 PolarHBondContact OD1-NZ 2.93Å; D73-K119 IonicContact OD2-NZ 3.44Å; D73-K119 PolarHBondContact OD2-NZ 3.35Å; Q74-K119 PolarHBondContact O-NZ 3.15Å; K119-F128 CarbonylContact C-O 3.6Å; K119-F128 VanDerWaalsContact CA-O 3.27Å; K119-F128 WeakPolarHBondContact CA-O 3.43Å; K119-V129 HydrophobicContact CB-CG2 4.05Å; K119-V129 HydrophobicContact CD-CG2 3.97Å; K119-V129 HydrophobicContact CG-CG2 3.83Å
120A97.6Very high97.7Very high13 Ų1335.5 Ų35.511%0.10721%0.206CC..EExtended strand (participates in β ladder)trans-135.5145170.400000110.1A43 E44 A47 S127 F128A43-A120 VanDerWaalsContact C-CB 3.47Å; A43-A120 HydrophobicContact CB-CB 3.95Å; A43-A120 WeakPolarHBondContact O-CB 3.44Å; E44-A120 HydrophobicContact CB-CB 4.38Å; E44-A120 HydrophobicContact CG-CB 3.92Å; A47-A120 HydrophobicContact CB-CB 3.91Å; A120-S127 WeakPolarHBondContact O-CA 3.23Å; A120-F128 PolarHBondContact N-O 3.18Å; A120-F128 PolarHBondContact O-N 3.23Å
121S96.8Very high97.7Very high76 Ų7631.2 Ų31.253%0.53119%0.187SC..EExtended strand (participates in β ladder)trans-100.5142.2174.1-55.40000109.7S126S121-S126 CarbonylContact C-O 3.49Å; S121-S126 WeakPolarHBondContact CA-O 3.19Å
122A96.2Very high97.8Very high8 Ų830.6 Ų30.67%0.06618%0.177CC..  trans-94.1161.1172.900000111.2A47 D124 G125 S126 F128A47-A122 HydrophobicContact CB-CB 4.22Å; A122-D124 WeakPolarHBondContact CB-OD1 3.49Å; A122-D124 PolarHBondContact O-N 3.28Å; A122-G125 PolarHBondContact O-N 3.06Å; A122-S126 PolarHBondContact N-O 2.75Å; A122-F128 HydrophobicContact CB-CE2 4.12Å
123P95.6Very high97.8Very high130 Ų13030.6 Ų30.684%0.84418%0.177SC*.THydrogen-bonded Turntrans-55.7-21.6179.6-30.733.4000116.3G125P123-G125 VanDerWaalsContact C-N 3.27Å; P123-G125 PolarHBondContact O-N 2.8Å
124D95.1Very high97.7Very high92 Ų9230.5 Ų30.549%0.49218%0.177SC..THydrogen-bonded Turntrans-86.57.3177.665.6-8.8000113.6R50 A122 S126R50-D124 IonicContact CZ-OD1 3.68Å; R50-D124 IonicContact CZ-OD2 3.52Å; R50-D124 IonicContact NH1-OD1 3.55Å; R50-D124 IonicContact NH1-OD2 2.65Å; R50-D124 PolarHBondContact NH1-OD2 3.28Å; R50-D124 IonicContact NH2-OD1 3.59Å; R50-D124 IonicContact NH2-OD2 3.8Å; A122-D124 WeakPolarHBondContact CB-OD1 3.49Å; A122-D124 PolarHBondContact O-N 3.28Å; D124-S126 VanDerWaalsContact C-N 3.25Å; D124-S126 PolarHBondContact O-N 2.84Å; D124-S126 VanDerWaalsContact OD1-CB 3.29Å; D124-S126 WeakPolarHBondContact OD1-CB 3.37Å; D124-S126 PolarHBondContact OD1-N 2.84Å; D124-S126 PolarHBondContact OD1-OG 2.89Å
125G94.9Very high97.7Very high42 Ų4228.3 Ų28.343%0.43317%0.173SC..SBendtrans83.2-6.4-178.600000114.5A122 P123A122-G125 PolarHBondContact O-N 3.06Å; P123-G125 VanDerWaalsContact C-N 3.27Å; P123-G125 PolarHBondContact O-N 2.8Å
126S97.4Very high97.6Very high2 Ų229.2 Ų29.21%0.01418%0.181CC..  trans-68.5153.7174.169.80000111.6A70 S121 A122 D124A70-S126 CarbonylContact O-C 3.47Å; A70-S126 VanDerWaalsContact O-CA 3.23Å; A70-S126 WeakPolarHBondContact O-CA 3.38Å; A70-S126 VanDerWaalsContact O-CB 3.26Å; A70-S126 WeakPolarHBondContact O-CB 3.16Å; S121-S126 CarbonylContact C-O 3.49Å; S121-S126 WeakPolarHBondContact CA-O 3.19Å; A122-S126 PolarHBondContact N-O 2.75Å; D124-S126 VanDerWaalsContact C-N 3.25Å; D124-S126 PolarHBondContact O-N 2.84Å; D124-S126 VanDerWaalsContact OD1-CB 3.29Å; D124-S126 WeakPolarHBondContact OD1-CB 3.37Å; D124-S126 PolarHBondContact OD1-N 2.84Å; D124-S126 PolarHBondContact OD1-OG 2.89Å
127S97.9Very high97.6Very high0 Ų029.9 Ų29.90%019%0.188CC..EExtended strand (participates in β ladder)trans-125.3143.1177.568.10000112.5W69 A70 Y72 Q74 A120W69-S127 WeakPolarHBondContact CA-O 3.49Å; A70-S127 PolarHBondContact N-O 3.21Å; A70-S127 VanDerWaalsContact N-O 3.13Å; A70-S127 PolarHBondContact O-N 3.16Å; Y72-S127 WeakPolarHBondContact O-CB 3.34Å; Y72-S127 PolarHBondContact O-OG 3.5Å; Q74-S127 WeakPolarHBondContact CG-OG 3.34Å; Q74-S127 PolarHBondContact N-OG 2.95Å; Q74-S127 PolarHBondContact NE2-O 3.17Å; Q74-S127 PolarHBondContact NE2-OG 2.57Å; A120-S127 WeakPolarHBondContact O-CA 3.23Å
128F98.5Very high97.5Very high3 Ų331.5 Ų31.51%0.01320%0.196CC..EExtended strand (participates in β ladder)trans-117.2129.4178.1-66.5-100.4000108.6L46 A47 L52 A68 W69 K119 A120 A122L46-F128 HydrophobicContact CB-CB 4.08Å; L46-F128 HydrophobicContact CB-CD1 3.59Å; L46-F128 HydrophobicContact CB-CE1 4.24Å; L46-F128 HydrophobicContact CB-CG 3.96Å; A47-F128 HydrophobicContact CB-CD2 3.77Å; A47-F128 HydrophobicContact CB-CE2 4.3Å; A47-F128 HydrophobicContact CB-CG 4.43Å; L52-F128 HydrophobicContact CD1-CD1 3.99Å; L52-F128 HydrophobicContact CD1-CE1 4.37Å; A68-F128 WeakPolarHBondContact O-CA 3.26Å; W69-F128 AromaticContact CD1-CD1 3.71Å; W69-F128 AromaticContact CD1-CD2 3.95Å; W69-F128 AromaticContact CD1-CE1 3.31Å; W69-F128 AromaticContact CD1-CE2 3.55Å; W69-F128 AromaticContact CD1-CZ 3.22Å; W69-F128 HydrophobicContact CG-CD1 4.48Å; W69-F128 HydrophobicContact CG-CE1 4.18Å; W69-F128 HydrophobicContact CG-CZ 4.38Å; W69-F128 AromaticContact NE1-CE2 3.7Å; W69-F128 AromaticContact NE1-CZ 3.46Å; K119-F128 CarbonylContact C-O 3.6Å; K119-F128 VanDerWaalsContact CA-O 3.27Å; K119-F128 WeakPolarHBondContact CA-O 3.43Å; A120-F128 PolarHBondContact N-O 3.18Å; A120-F128 PolarHBondContact O-N 3.23Å; A122-F128 HydrophobicContact CB-CE2 4.12Å
129V98.6Very high97.3Very high0 Ų034.5 Ų34.50%021%0.211CC..EExtended strand (participates in β ladder)trans-120.9136179-179.90000109.4F9 L67 A68 V79 W83 V117 G118 K119F9-V129 HydrophobicContact CE1-CG1 4.25Å; F9-V129 HydrophobicContact CE2-CG2 4.46Å; F9-V129 HydrophobicContact CZ-CB 4.46Å; F9-V129 HydrophobicContact CZ-CG1 3.72Å; F9-V129 HydrophobicContact CZ-CG2 3.85Å; L67-V129 CarbonylContact C-O 3.51Å; L67-V129 WeakPolarHBondContact CA-O 3.25Å; A68-V129 HydrophobicContact CB-CB 4.24Å; A68-V129 PolarHBondContact N-O 2.98Å; A68-V129 PolarHBondContact O-N 3.45Å; V79-V129 HydrophobicContact CG1-CB 4.44Å; V79-V129 HydrophobicContact CG1-CG1 4.05Å; V79-V129 HydrophobicContact CG2-CG2 4.06Å; W83-V129 HydrophobicContact CH2-CG1 4.04Å; W83-V129 HydrophobicContact CZ2-CG1 4.47Å; V117-V129 HydrophobicContact CG2-CG1 3.94Å; G118-V129 WeakPolarHBondContact O-CA 3.41Å; K119-V129 HydrophobicContact CB-CG2 4.05Å; K119-V129 HydrophobicContact CD-CG2 3.97Å; K119-V129 HydrophobicContact CG-CG2 3.83Å
130V98.8Very high96.9Very high0 Ų036.9 Ų36.90%023%0.23CC..EExtended strand (participates in β ladder)trans-123.7125.7175.4-178.70000107.8A39 Y42 A43 L46 E65 L67 V117 G118 R132A39-V130 HydrophobicContact CB-CB 4.12Å; A39-V130 HydrophobicContact CB-CG1 4Å; A39-V130 WeakPolarHBondContact CB-O 3.49Å; Y42-V130 HydrophobicContact CD1-CG1 4.16Å; Y42-V130 HydrophobicContact CD1-CG2 3.89Å; A43-V130 HydrophobicContact CB-CB 4.47Å; A43-V130 HydrophobicContact CB-CG2 3.84Å; L46-V130 HydrophobicContact CD1-CG2 3.64Å; E65-V130 HydrophobicContact CG-CG1 4.14Å; L67-V130 HydrophobicContact CD2-CB 4.24Å; L67-V130 HydrophobicContact CD2-CG1 4.09Å; L67-V130 HydrophobicContact CD2-CG2 3.73Å; V117-V130 CarbonylContact C-O 3.56Å; V117-V130 VanDerWaalsContact CA-O 3.29Å; V117-V130 WeakPolarHBondContact CA-O 3.41Å; V117-V130 WeakPolarHBondContact CG2-O 3.32Å; G118-V130 PolarHBondContact N-O 2.98Å; G118-V130 PolarHBondContact O-N 3.36Å; V130-R132 HydrophobicContact CG1-CG 4.26Å
131A98.7Very high96.6Very high0 Ų041.4 Ų41.40%025%0.253CS..EExtended strand (participates in β ladder)trans-108.4142.2164.800000109.8E65 N66 W83 L115 G116 V117 Y133E65-A131 VanDerWaalsContact CA-O 3.23Å; E65-A131 WeakPolarHBondContact CA-O 3.43Å; N66-A131 HydrophobicContact CB-CB 4.33Å; N66-A131 PolarHBondContact N-O 3.37Å; N66-A131 PolarHBondContact O-N 3.26Å; W83-A131 HydrophobicContact CH2-CB 3.49Å; W83-A131 VanDerWaalsContact CH2-CB 3.49Å; W83-A131 HydrophobicContact CZ3-CB 3.58Å; L115-A131 HydrophobicContact CD1-CB 4.09Å; G116-A131 CarbonylContact O-C 3.55Å; G116-A131 VanDerWaalsContact O-CA 3.32Å; G116-A131 WeakPolarHBondContact O-CA 3.5Å; V117-A131 HydrophobicContact CG2-CB 4.33Å; A131-Y133 HydrophobicContact CB-CE2 4.24Å
132R98.7Very high96.1Very high11 Ų1147.2 Ų47.24%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-124.2131.2178.4-66.2-62.5-174.694.72.4110.5L35 A39 S55 E57 C63 G64 E65 L115 G116 V130L35-R132 HydrophobicContact CB-CB 4.29Å; L35-R132 HydrophobicContact CD2-CB 4.44Å; A39-R132 HydrophobicContact CB-CG 3.98Å; S55-R132 PolarHBondContact OG-NH2 3.03Å; E57-R132 IonicContact OE2-NH2 3.11Å; C63-R132 PolarHBondContact SG-NH1 2.99Å; G64-R132 CarbonylContact O-C 3.59Å; G64-R132 VanDerWaalsContact O-CA 3.29Å; G64-R132 WeakPolarHBondContact O-CA 3.32Å; E65-R132 IonicContact OE2-CZ 2.84Å; E65-R132 IonicContact OE2-NE 2.8Å; E65-R132 PolarHBondContact OE2-NE 3.14Å; E65-R132 IonicContact OE2-NH2 3.57Å; E65-R132 PolarHBondContact OE2-NH2 2.99Å; L115-R132 CarbonylContact C-O 3.14Å; L115-R132 WeakPolarHBondContact CA-O 3.35Å; G116-R132 PolarHBondContact N-O 3.41Å; G116-R132 PolarHBondContact O-N 2.87Å; V130-R132 HydrophobicContact CG1-CG 4.26Å
133Y98.7Very high95.7Very high1 Ų148 Ų480%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-114.8137.5-178.4-52.2-83.1000110.9H17 L29 C63 G64 N66 A106 K114 L115 A131H17-Y133 AromaticContact CD2-CE1 3.86Å; H17-Y133 AromaticContact NE2-CE1 3.81Å; H17-Y133 AromaticContact NE2-CZ 3.88Å; H17-Y133 PolarHBondContact NE2-OH 2.82Å; H17-Y133 VanDerWaalsContact NE2-OH 3.07Å; L29-Y133 HydrophobicContact CD1-CD1 4.11Å; L29-Y133 HydrophobicContact CD1-CE1 4.23Å; C63-Y133 CarbonylContact C-O 3.59Å; C63-Y133 WeakPolarHBondContact CA-O 3.27Å; C63-Y133 WeakPolarHBondContact CB-O 3.07Å; G64-Y133 PolarHBondContact N-O 3.09Å; G64-Y133 PolarHBondContact O-N 3.38Å; N66-Y133 HydrophobicContact CB-CE2 4.18Å; N66-Y133 PolarHBondContact ND2-OH 3.23Å; A106-Y133 HydrophobicContact CB-CD2 4.12Å; A106-Y133 HydrophobicContact CB-CE2 3.82Å; K114-Y133 WeakPolarHBondContact O-CA 3.18Å; L115-Y133 HydrophobicContact CD1-CD1 3.88Å; L115-Y133 HydrophobicContact CD1-CE1 3.58Å; A131-Y133 HydrophobicContact CB-CE2 4.24Å
134F98.4Very high95.7Very high101 Ų10145 Ų4544%0.44326%0.255SS..EExtended strand (participates in β ladder)trans-138.6132.8175.2-171.3-89.8000112.6L35 K113 K114L35-F134 HydrophobicContact CD1-CB 3.82Å; K113-F134 PolarHBondContact N-O 2.87Å; K114-F134 HydrophobicContact CB-CB 4.4Å; K114-F134 PolarHBondContact N-O 3.26Å; K114-F134 PolarHBondContact O-N 3.28Å
135P98.1Very high95.8Very high58 Ų5840.9 Ų40.938%0.37723%0.233SC..SBendcis-56160.9-13.4-2535.8000112.9S112S112-P135 PolarHBondContact OG-O 2.97Å
136A97.3Very high95.9Very high20 Ų2043 Ų4317%0.16523%0.234CC..  trans-61142178.900000111.2
137G96.8Very high95.8Very high14 Ų1448.2 Ų48.214%0.14426%0.262CS..  trans-95.4-165.517100000112W109 I139W109-G137 VanDerWaalsContact CD1-CA 3.47Å; W109-G137 VanDerWaalsContact CG-CA 3.49Å; G137-I139 PolarHBondContact O-N 3.46Å; G137-I139 VanDerWaalsContact O-N 3.15Å
138N96.5Very high95.8Very high36 Ų3649.2 Ų49.219%0.19327%0.267CS..  trans54.333.3175-62.3-8.9000114.1F97 G102 T105 A106 T140 F145F97-N138 HydrophobicContact CD2-CB 4.45Å; G102-N138 PolarHBondContact O-ND2 2.88Å; T105-N138 VanDerWaalsContact CB-OD1 3.29Å; T105-N138 WeakPolarHBondContact CB-OD1 3.49Å; T105-N138 PolarHBondContact OG1-OD1 2.9Å; A106-N138 PolarHBondContact N-OD1 2.65Å; N138-T140 PolarHBondContact O-N 2.65Å; N138-F145 HydrophobicContact CB-CZ 4.22Å
139I94.1Very high95.8Very high66 Ų6649.4 Ų49.434%0.33827%0.268SS..  trans-71119.8173.8-59.7168.7000107.6W109 G137 N141 H144 F145W109-I139 HydrophobicContact CH2-CB 4.49Å; W109-I139 HydrophobicContact CZ2-CB 4.21Å; W109-I139 HydrophobicContact CZ2-CG1 4.44Å; G137-I139 PolarHBondContact O-N 3.46Å; G137-I139 VanDerWaalsContact O-N 3.15Å; I139-N141 VanDerWaalsContact C-N 3.31Å; I139-N141 HydrophobicContact CG2-CB 4.18Å; I139-N141 PolarHBondContact O-N 2.99Å; I139-H144 HydrophobicContact CB-CB 4.25Å; I139-H144 HydrophobicContact CG2-CB 4.45Å; I139-H144 VanDerWaalsContact O-CB 3.26Å; I139-H144 WeakPolarHBondContact O-CB 3.38Å; I139-F145 WeakPolarHBondContact O-CD2 3.27Å; I139-F145 VanDerWaalsContact O-CE2 3.31Å; I139-F145 WeakPolarHBondContact O-CE2 3.37Å
140T91.1Very high95.8Very high102 Ų10251 Ų5163%0.62628%0.277SS*.  trans-84.90.7-171.654.40000114.5F97 N138 F145F97-T140 HydrophobicContact CB-CG2 3.92Å; F97-T140 HydrophobicContact CG-CG2 4.45Å; N138-T140 PolarHBondContact O-N 2.65Å; T140-F145 HydrophobicContact CG2-CE2 4.37Å
141N89.5Confident95.7Very high108 Ų10854.2 Ų54.258%0.57830%0.298SS*.SBendtrans-64150.3173.7-69.54.9000110.6I139 G143 H144I139-N141 VanDerWaalsContact C-N 3.31Å; I139-N141 HydrophobicContact CG2-CB 4.18Å; I139-N141 PolarHBondContact O-N 2.99Å; N141-G143 PolarHBondContact O-N 3.25Å; N141-H144 WeakPolarHBondContact O-CB 3.47Å; N141-H144 PolarHBondContact O-CD2 2.94Å; N141-H144 PolarHBondContact O-N 2.77Å
142Q86.4Confident95.6Very high197 Ų19757.4 Ų57.492%0.92132%0.318SS*.THydrogen-bonded Turntrans-54.6135.7-175-170.6169.72.100112.3H144Q142-H144 VanDerWaalsContact C-N 3.26Å; Q142-H144 PolarHBondContact O-N 3.15Å
143G89.4Confident95.2Very high25 Ų2563.7 Ų63.726%0.25835%0.346SS..THydrogen-bonded Turntrans78-6.2177.300000115.7N141 N147N141-G143 PolarHBondContact O-N 3.25Å; G143-N147 WeakPolarHBondContact O-CB 3.49Å; G143-N147 PolarHBondContact O-N 3.37Å; G143-N147 PolarHBondContact O-ND2 3.45Å
144H95.8Very high93.3Very high66 Ų6675 Ų7531%0.30641%0.406SS..Hα-helixtrans-69.9-41.4178.7-82.2-96000112.5W109 I139 N141 Q142 N147 N148W109-H144 HydrophobicContact CH2-CB 3.9Å; W109-H144 HydrophobicContact CZ2-CB 4.07Å; I139-H144 HydrophobicContact CB-CB 4.25Å; I139-H144 HydrophobicContact CG2-CB 4.45Å; I139-H144 VanDerWaalsContact O-CB 3.26Å; I139-H144 WeakPolarHBondContact O-CB 3.38Å; N141-H144 WeakPolarHBondContact O-CB 3.47Å; N141-H144 PolarHBondContact O-CD2 2.94Å; N141-H144 PolarHBondContact O-N 2.77Å; Q142-H144 VanDerWaalsContact C-N 3.26Å; Q142-H144 PolarHBondContact O-N 3.15Å; H144-N147 PolarHBondContact O-N 2.83Å; H144-N148 VanDerWaalsContact O-CB 3.3Å; H144-N148 WeakPolarHBondContact O-CB 3.34Å; H144-N148 PolarHBondContact O-N 2.92Å; H144-N148 VanDerWaalsContact O-N 3.16Å; H144-N148 PolarHBondContact O-ND2 3.27Å
145F97.3Very high93Very high7 Ų773.7 Ų73.73%0.03140%0.404CS..Hα-helixtrans-66.4-46179.1-82.8-96.8000111.5Y90 P95 G96 F97 T105 W109 N138 I139 T140 N147 N148 V149Y90-F145 HydrophobicContact CE2-CD1 4.5Å; Y90-F145 WeakPolarHBondContact OH-CD1 3.38Å; P95-F145 HydrophobicContact CB-CB 3.96Å; G96-F145 WeakPolarHBondContact O-CD1 3.38Å; G96-F145 VanDerWaalsContact O-CE1 3.32Å; G96-F145 WeakPolarHBondContact O-CE1 3.26Å; F97-F145 HydrophobicContact CB-CE1 4.43Å; F97-F145 HydrophobicContact CB-CE2 4.09Å; F97-F145 HydrophobicContact CB-CZ 3.65Å; F97-F145 HydrophobicContact CD2-CZ 4.3Å; F97-F145 HydrophobicContact CG-CZ 4.49Å; T105-F145 HydrophobicContact CG2-CD1 4.24Å; T105-F145 HydrophobicContact CG2-CE1 3.92Å; W109-F145 HydrophobicContact CH2-CD2 4.22Å; W109-F145 HydrophobicContact CH2-CE2 4.34Å; W109-F145 HydrophobicContact CH2-CG 4.4Å; W109-F145 AromaticContact CZ3-CD1 3.95Å; W109-F145 HydrophobicContact CZ3-CD1 3.95Å; W109-F145 HydrophobicContact CZ3-CD2 4.25Å; W109-F145 HydrophobicContact CZ3-CE1 4.01Å; W109-F145 HydrophobicContact CZ3-CE2 4.28Å; W109-F145 HydrophobicContact CZ3-CG 4.08Å; W109-F145 HydrophobicContact CZ3-CZ 4.17Å; N138-F145 HydrophobicContact CB-CZ 4.22Å; I139-F145 WeakPolarHBondContact O-CD2 3.27Å; I139-F145 VanDerWaalsContact O-CE2 3.31Å; I139-F145 WeakPolarHBondContact O-CE2 3.37Å; T140-F145 HydrophobicContact CG2-CE2 4.37Å; F145-N147 PolarHBondContact O-N 3.42Å; F145-N148 PolarHBondContact O-N 3.37Å; F145-V149 HydrophobicContact CD1-CG2 3.97Å; F145-V149 PolarHBondContact O-N 3.16Å
146D95.3Very high92.8Very high87 Ų8774.5 Ų74.547%0.46541%0.406SS..Hα-helixtrans-52.7-42.3176.2-53.2-108.4000112.3P95P95-D146 HydrophobicContact CG-CB 4.44Å; P95-D146 VanDerWaalsContact CG-CG 3.42Å; P95-D146 WeakPolarHBondContact CG-OD1 3.46Å
147N96.7Very high92.5Very high111 Ų11177.6 Ų77.659%0.59442%0.419SS*.Hα-helixtrans-81-17.5-177.2-74.1-49.1000114.2G143 H144 F145G143-N147 WeakPolarHBondContact O-CB 3.49Å; G143-N147 PolarHBondContact O-N 3.37Å; G143-N147 PolarHBondContact O-ND2 3.45Å; H144-N147 PolarHBondContact O-N 2.83Å; F145-N147 PolarHBondContact O-N 3.42Å
148N98.3Very high92.3Very high21 Ų2181.3 Ų81.311%0.11244%0.435CS..Hα-helixtrans-119.7-19-170.5-71.7-84.7000115.4W109 K110 G111 H144 F145W109-N148 WeakPolarHBondContact CA-O 3.44Å; W109-N148 HydrophobicContact CD2-CB 3.38Å; W109-N148 VanDerWaalsContact CE2-CB 3.4Å; W109-N148 HydrophobicContact CE3-CB 3.62Å; W109-N148 HydrophobicContact CG-CB 3.94Å; W109-N148 HydrophobicContact CH2-CB 3.94Å; W109-N148 HydrophobicContact CZ2-CB 3.71Å; W109-N148 HydrophobicContact CZ3-CB 3.89Å; W109-N148 PolarHBondContact NE1-OD1 3.27Å; K110-N148 HydrophobicContact CB-CB 4.32Å; K110-N148 PolarHBondContact N-O 2.93Å; G111-N148 WeakPolarHBondContact CA-OD1 3.41Å; G111-N148 PolarHBondContact N-OD1 3.06Å; H144-N148 VanDerWaalsContact O-CB 3.3Å; H144-N148 WeakPolarHBondContact O-CB 3.34Å; H144-N148 PolarHBondContact O-N 2.92Å; H144-N148 VanDerWaalsContact O-N 3.16Å; H144-N148 PolarHBondContact O-ND2 3.27Å; F145-N148 PolarHBondContact O-N 3.37Å
149V98.3Very high92Very high6 Ų684.1 Ų84.14%0.03645%0.451CS..SBendtrans-120.984.5-178.5-174.10000108.2Y90 F92 F104 T105 V108 W109 F145Y90-V149 HydrophobicContact CD1-CG1 4.22Å; Y90-V149 HydrophobicContact CE1-CB 4.38Å; Y90-V149 HydrophobicContact CE1-CG1 3.59Å; Y90-V149 HydrophobicContact CE2-CG1 4.47Å; F92-V149 HydrophobicContact CE1-CG1 4.21Å; F104-V149 HydrophobicContact CE1-CG1 3.6Å; F104-V149 HydrophobicContact CZ-CG1 3.88Å; T105-V149 HydrophobicContact CG2-CG1 3.96Å; T105-V149 HydrophobicContact CG2-CG2 3.89Å; V108-V149 HydrophobicContact CG2-CG1 3.93Å; W109-V149 HydrophobicContact CE3-CG2 3.77Å; W109-V149 HydrophobicContact CZ3-CG2 3.93Å; F145-V149 HydrophobicContact CD1-CG2 3.97Å; F145-V149 PolarHBondContact O-N 3.16Å
150L97.9Very high91.9Very high35 Ų3585.3 Ų85.318%0.18346%0.458CS..PPolyproline II helixtrans-84.2150-176.1-56.4178.4000110.6H24 Q25 F92 K110H24-L150 PolarHBondContact ND1-O 3.36Å; Q25-L150 HydrophobicContact CB-CD1 3.98Å; F92-L150 WeakPolarHBondContact CE1-O 3.37Å; K110-L150 HydrophobicContact CD-CD1 4.41Å
151P97.3Very high91.9Very high67 Ų6784.1 Ų84.144%0.43545%0.446SS..PPolyproline II helixtrans-60.915217327.3-35.2000110.9Q25 F92Q25-P151 PolarHBondContact OE1-O 3.14Å; F92-P151 HydrophobicContact CD1-CB 4Å; F92-P151 HydrophobicContact CE1-CB 4.39Å; F92-P151 HydrophobicContact CG-CB 4.11Å
152P96Very high92.1Very high66 Ų6682.3 Ų82.343%0.42944%0.436SS..PPolyproline II helixtrans-61141.4175.727.8-32.6000110.1K23K23-P152 CarbonylContact O-C 3.52Å; K23-P152 VanDerWaalsContact O-CA 3.31Å; K23-P152 WeakPolarHBondContact O-CA 3.36Å
153K89.3Confident92.6Very high143 Ų14372.8 Ų72.862%0.62240%0.396SS*.PPolyproline II helixtrans-97.7140.1165.9-77.8-170.3170.8-175.70110.3K23 Q25K23-K153 PolarHBondContact O-N 3.31Å; Q25-K153 HydrophobicContact CG-CD 3.62Å; Q25-K153 HydrophobicContact CG-CG 4.03Å; Q25-K153 VanDerWaalsContact NE2-CE 3.26Å
154D59.7Low92.9Very high239 Ų23977.1 Ų77.1100%1.27841%0.408SS*.  trans-63.60164.9-58.4-42000111.4

Retrieved 154 of 154 residues in 978.2 ms (Link to these results)

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