A0A077ZF05_TRITR Loading...

DUF1451 domain containing protein

AlphaFold DB (Q32IT6), UniProt , Accession A0A077ZF05, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M57.2Low88.9Confident215 Ų21566 Ų66100%1.05931%0.312SS*.  0142.50-108.4-178.4-70.100108.2
2N84Confident89.3Confident75 Ų7560.8 Ų60.840%0.40129%0.287SS..  trans-71.1125.8172.6-175.2-34.3000108.8V4 A5 Q6 V141N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 2.77Å; N2-V4 WeakPolarHBondContact OD1-CB 3.32Å; N2-V4 PolarHBondContact OD1-N 2.93Å; N2-A5 HydrophobicContact CB-CB 4.22Å; N2-A5 PolarHBondContact O-N 2.75Å; N2-Q6 PolarHBondContact O-N 3.26Å; N2-Q6 VanDerWaalsContact O-N 3.17Å; N2-V141 WeakPolarHBondContact ND2-CG2 3.32Å
3K90.3Very high89.6Confident104 Ų10459.3 Ų59.345%0.45229%0.292SS..Hα-helixtrans-57.5-40.3-179.2-71.5-171.2170.5-146.60112.3A5 Q6 Y7 E42 L43K3-A5 VanDerWaalsContact C-N 3.33Å; K3-A5 PolarHBondContact O-N 2.76Å; K3-Q6 WeakPolarHBondContact O-CB 3.35Å; K3-Q6 PolarHBondContact O-N 3.19Å; K3-Q6 VanDerWaalsContact O-N 3.15Å; K3-Y7 VanDerWaalsContact O-CD2 3.31Å; K3-Y7 WeakPolarHBondContact O-CD2 3.44Å; K3-Y7 PolarHBondContact O-N 3.44Å; K3-E42 IonicContact NZ-OE2 3.96Å; K3-E42 PolarHBondContact NZ-OE2 2.97Å; K3-L43 HydrophobicContact CB-CD2 4.05Å
4V92.2Very high89.9Confident16 Ų1657.5 Ų57.510%0.09729%0.288CS..Hα-helixtrans-61.8-43.5180-176.80000110.7N2 Q6 Y7 Y8 L43 E47 L51 V119N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 2.77Å; N2-V4 WeakPolarHBondContact OD1-CB 3.32Å; N2-V4 PolarHBondContact OD1-N 2.93Å; V4-Q6 VanDerWaalsContact C-N 3.31Å; V4-Q6 PolarHBondContact O-N 3.13Å; V4-Y7 PolarHBondContact O-N 3.12Å; V4-Y8 WeakPolarHBondContact O-CB 3.09Å; V4-Y8 PolarHBondContact O-N 3.46Å; V4-L43 HydrophobicContact CG2-CD2 4.03Å; V4-E47 HydrophobicContact CG2-CG 4.48Å; V4-L51 HydrophobicContact CG1-CB 4.4Å; V4-L51 HydrophobicContact CG1-CD1 4.25Å; V4-V119 HydrophobicContact CG1-CB 3.83Å; V4-V119 HydrophobicContact CG1-CG1 3.79Å; V4-V119 HydrophobicContact CG1-CG2 4.49Å
5A91.8Very high90.1Very high12 Ų1254 Ų5410%0.09927%0.271CS..Hα-helixtrans-66.9-30.3177.200000113.1N2 K3 R9N2-A5 HydrophobicContact CB-CB 4.22Å; N2-A5 PolarHBondContact O-N 2.75Å; K3-A5 VanDerWaalsContact C-N 3.33Å; K3-A5 PolarHBondContact O-N 2.76Å; A5-R9 PolarHBondContact O-N 2.83Å
6Q92Very high90.3Very high85 Ų8550.7 Ų50.740%0.39725%0.254SS..Hα-helixtrans-68.1-52.2172.6-179-174.9-26.100110.7N2 K3 V4 Y8 R9 E10N2-Q6 PolarHBondContact O-N 3.26Å; N2-Q6 VanDerWaalsContact O-N 3.17Å; K3-Q6 WeakPolarHBondContact O-CB 3.35Å; K3-Q6 PolarHBondContact O-N 3.19Å; K3-Q6 VanDerWaalsContact O-N 3.15Å; V4-Q6 VanDerWaalsContact C-N 3.31Å; V4-Q6 PolarHBondContact O-N 3.13Å; Q6-Y8 PolarHBondContact O-N 3.48Å; Q6-R9 PolarHBondContact O-N 3.25Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.45Å; Q6-E10 PolarHBondContact NE2-OE1 2.97Å; Q6-E10 PolarHBondContact O-N 2.9Å; Q6-E10 VanDerWaalsContact O-N 3.1Å
7Y94.6Very high90.4Very high18 Ų1852.5 Ų52.57%0.07126%0.262CS..Hα-helixtrans-60.4-33.4177.4-81.7-68.9000112.3K3 V4 R9 E10 L11 V37 T40 E42 L43K3-Y7 VanDerWaalsContact O-CD2 3.31Å; K3-Y7 WeakPolarHBondContact O-CD2 3.44Å; K3-Y7 PolarHBondContact O-N 3.44Å; V4-Y7 PolarHBondContact O-N 3.12Å; Y7-R9 PolarHBondContact O-N 3.3Å; Y7-E10 PolarHBondContact O-N 2.89Å; Y7-L11 WeakPolarHBondContact O-CB 3.34Å; Y7-L11 VanDerWaalsContact O-CG 3.28Å; Y7-L11 WeakPolarHBondContact O-CG 3.42Å; Y7-L11 PolarHBondContact O-N 3.41Å; Y7-V37 HydrophobicContact CD1-CG1 4.07Å; Y7-V37 HydrophobicContact CD1-CG2 4.09Å; Y7-V37 HydrophobicContact CE1-CG1 4.31Å; Y7-V37 HydrophobicContact CG-CG1 4.31Å; Y7-T40 HydrophobicContact CE1-CG2 4.28Å; Y7-T40 PolarHBondContact OH-OG1 3.46Å; Y7-E42 HydrophobicContact CE2-CB 3.79Å; Y7-E42 VanDerWaalsContact OH-CB 3.25Å; Y7-E42 WeakPolarHBondContact OH-CB 3.25Å; Y7-E42 VanDerWaalsContact OH-CG 3.23Å; Y7-E42 WeakPolarHBondContact OH-CG 3.47Å; Y7-E42 PolarHBondContact OH-OE1 3.43Å; Y7-L43 HydrophobicContact CD2-CD1 3.63Å; Y7-L43 HydrophobicContact CD2-CD2 4.19Å; Y7-L43 HydrophobicContact CD2-CG 3.82Å; Y7-L43 HydrophobicContact CE2-CD1 4.3Å; Y7-L43 HydrophobicContact CE2-CD2 4.42Å; Y7-L43 HydrophobicContact CE2-CG 4.02Å; Y7-L43 HydrophobicContact CG-CD1 4.05Å
8Y95.1Very high90.6Very high0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-55.5-50172-178.2-76.2000111.7V4 Q6 E10 L11 V12 L51 A54 V55 D58 L86 W87 V119 P139V4-Y8 WeakPolarHBondContact O-CB 3.09Å; V4-Y8 PolarHBondContact O-N 3.46Å; Q6-Y8 PolarHBondContact O-N 3.48Å; Y8-E10 VanDerWaalsContact C-N 3.35Å; Y8-E10 PolarHBondContact O-N 3.36Å; Y8-L11 PolarHBondContact O-N 2.82Å; Y8-V12 HydrophobicContact CD1-CG2 4.1Å; Y8-V12 HydrophobicContact CE1-CG2 3.57Å; Y8-V12 WeakPolarHBondContact O-CG2 3.27Å; Y8-V12 PolarHBondContact O-N 3.28Å; Y8-L51 VanDerWaalsContact CA-CD1 3.49Å; Y8-L51 HydrophobicContact CD2-CD1 4.14Å; Y8-L51 HydrophobicContact CG-CD1 4.37Å; Y8-A54 HydrophobicContact CE2-CB 4.31Å; Y8-V55 HydrophobicContact CD2-CG2 3.51Å; Y8-V55 HydrophobicContact CE2-CB 4.36Å; Y8-V55 HydrophobicContact CE2-CG2 3.57Å; Y8-V55 HydrophobicContact CG-CG2 4.13Å; Y8-D58 VanDerWaalsContact OH-CB 3.23Å; Y8-D58 WeakPolarHBondContact OH-CB 3.44Å; Y8-D58 PolarHBondContact OH-OD2 3.07Å; Y8-L86 HydrophobicContact CD1-CD2 4.27Å; Y8-L86 HydrophobicContact CE1-CD2 3.97Å; Y8-W87 VanDerWaalsContact OH-CZ2 3.27Å; Y8-W87 WeakPolarHBondContact OH-CZ2 3.43Å; Y8-V119 HydrophobicContact CD2-CB 4.45Å; Y8-V119 HydrophobicContact CD2-CG1 3.79Å; Y8-V119 HydrophobicContact CD2-CG2 3.78Å; Y8-V119 HydrophobicContact CG-CG2 3.97Å; Y8-P139 HydrophobicContact CD1-CB 3.4Å; Y8-P139 HydrophobicContact CD1-CG 3.35Å; Y8-P139 HydrophobicContact CE1-CB 3.89Å; Y8-P139 HydrophobicContact CE1-CG 3.49Å; Y8-P139 VanDerWaalsContact CE1-CG 3.49Å; Y8-P139 HydrophobicContact CG-CB 4.01Å; Y8-P139 HydrophobicContact CG-CG 4.41Å
9R93.2Very high90.7Very high102 Ų10248.5 Ų48.539%0.38524%0.24SC..Hα-helixtrans-62.6-43.4178.7-69.5178.5-170.4-1146.9111.8A5 Q6 Y7 L11 V12 A13 L86 P139A5-R9 PolarHBondContact O-N 2.83Å; Q6-R9 PolarHBondContact O-N 3.25Å; Y7-R9 PolarHBondContact O-N 3.3Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 2.77Å; R9-V12 PolarHBondContact O-N 2.85Å; R9-A13 WeakPolarHBondContact O-CB 3.48Å; R9-A13 PolarHBondContact O-N 2.87Å; R9-L86 HydrophobicContact CB-CD1 4.46Å; R9-L86 HydrophobicContact CB-CD2 4.49Å; R9-L86 HydrophobicContact CG-CD1 4.37Å; R9-L86 HydrophobicContact CG-CD2 4.06Å; R9-P139 HydrophobicContact CG-CB 4.41Å; R9-P139 HydrophobicContact CG-CG 3.97Å
10E93.4Very high90.7Very high89 Ų8950.3 Ų50.342%0.41624%0.244SC..Hα-helixtrans-62.7-40.1178.8-68.1175.3-164.900111.8Q6 Y7 Y8 S14Q6-E10 WeakPolarHBondContact CG-OE1 3.45Å; Q6-E10 PolarHBondContact NE2-OE1 2.97Å; Q6-E10 PolarHBondContact O-N 2.9Å; Q6-E10 VanDerWaalsContact O-N 3.1Å; Y7-E10 PolarHBondContact O-N 2.89Å; Y8-E10 VanDerWaalsContact C-N 3.35Å; Y8-E10 PolarHBondContact O-N 3.36Å; E10-S14 WeakPolarHBondContact O-CB 3.45Å; E10-S14 PolarHBondContact O-N 3.26Å
11L94.3Very high90.8Very high10 Ų1053.2 Ų53.25%0.05226%0.26CS..Hα-helixtrans-65.1-48.7175.6-74.1-169.8000111.7Y7 Y8 R9 A13 S14 L15 A33 V37 L51 T52 V55Y7-L11 WeakPolarHBondContact O-CB 3.34Å; Y7-L11 VanDerWaalsContact O-CG 3.28Å; Y7-L11 WeakPolarHBondContact O-CG 3.42Å; Y7-L11 PolarHBondContact O-N 3.41Å; Y8-L11 PolarHBondContact O-N 2.82Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 2.77Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 3.35Å; L11-S14 PolarHBondContact O-N 3.4Å; L11-L15 WeakPolarHBondContact O-CB 3.25Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.15Å; L11-A33 HydrophobicContact CD2-CB 3.37Å; L11-V37 HydrophobicContact CD1-CG2 4.37Å; L11-V37 HydrophobicContact CD2-CG2 3.78Å; L11-V37 HydrophobicContact CG-CG2 4.25Å; L11-L51 HydrophobicContact CD1-CD1 4.23Å; L11-L51 HydrophobicContact CD1-CD2 3.66Å; L11-L51 HydrophobicContact CD1-CG 3.68Å; L11-L51 HydrophobicContact CG-CD2 4.47Å; L11-T52 HydrophobicContact CD1-CG2 4.26Å; L11-V55 HydrophobicContact CB-CG2 4.09Å; L11-V55 HydrophobicContact CD1-CG2 4.19Å
12V94Very high92.4Very high3 Ų345 Ų452%0.01823%0.232CC..Hα-helixtrans-59.7-44.2177.4172.90000111.1Y8 R9 S14 L15 S16 V55 L86 W87 L90Y8-V12 HydrophobicContact CD1-CG2 4.1Å; Y8-V12 HydrophobicContact CE1-CG2 3.57Å; Y8-V12 WeakPolarHBondContact O-CG2 3.27Å; Y8-V12 PolarHBondContact O-N 3.28Å; R9-V12 PolarHBondContact O-N 2.85Å; V12-S14 PolarHBondContact O-N 3.17Å; V12-L15 PolarHBondContact O-N 3.43Å; V12-S16 WeakPolarHBondContact O-CB 3.31Å; V12-S16 PolarHBondContact O-N 3.22Å; V12-S16 PolarHBondContact O-OG 3.38Å; V12-V55 HydrophobicContact CG2-CG1 4.13Å; V12-V55 HydrophobicContact CG2-CG2 4.34Å; V12-L86 HydrophobicContact CB-CD2 3.95Å; V12-L86 HydrophobicContact CB-CG 4.47Å; V12-L86 HydrophobicContact CG1-CD2 3.93Å; V12-L86 HydrophobicContact CG1-CG 4Å; V12-L86 HydrophobicContact CG2-CD2 4.18Å; V12-W87 HydrophobicContact CG2-CH2 4.45Å; V12-L90 HydrophobicContact CG1-CD1 4.04Å
13A92.8Very high92.8Very high42 Ų4245.1 Ų45.135%0.34723%0.229SC..Hα-helixtrans-61.9-44.7176.200000111.7R9 L11 L15 S16 E17R9-A13 WeakPolarHBondContact O-CB 3.48Å; R9-A13 PolarHBondContact O-N 2.87Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 3.35Å; A13-L15 VanDerWaalsContact C-N 3.32Å; A13-L15 PolarHBondContact O-N 3.43Å; A13-S16 PolarHBondContact O-N 2.62Å; A13-E17 PolarHBondContact O-N 3.24Å
14S93.3Very high92.8Very high34 Ų3444.1 Ų44.124%0.23822%0.223CC..Hα-helixtrans-64-35.9176.9-178.10000112.7E10 L11 V12 R18E10-S14 WeakPolarHBondContact O-CB 3.45Å; E10-S14 PolarHBondContact O-N 3.26Å; L11-S14 PolarHBondContact O-N 3.4Å; V12-S14 PolarHBondContact O-N 3.17Å; S14-R18 WeakPolarHBondContact O-CG 3.44Å; S14-R18 PolarHBondContact O-N 2.96Å
15L94.1Very high92.7Very high5 Ų548 Ų483%0.02624%0.243CC..Hα-helixtrans-69.5-44.2175.9-70.8175.7000110.7L11 V12 A13 E17 R18 L19 L29 V30 V55L11-L15 WeakPolarHBondContact O-CB 3.25Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.15Å; V12-L15 PolarHBondContact O-N 3.43Å; A13-L15 VanDerWaalsContact C-N 3.32Å; A13-L15 PolarHBondContact O-N 3.43Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 2.97Å; L15-R18 PolarHBondContact O-N 3.36Å; L15-R18 VanDerWaalsContact O-N 3.12Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 2.88Å; L15-L29 HydrophobicContact CD2-CB 3.46Å; L15-L29 VanDerWaalsContact CD2-CB 3.46Å; L15-L29 HydrophobicContact CD2-CD1 4.31Å; L15-L29 HydrophobicContact CD2-CG 4.49Å; L15-V30 HydrophobicContact CD1-CG2 4.17Å; L15-V30 HydrophobicContact CD2-CG2 4.28Å; L15-V55 HydrophobicContact CD1-CG1 3.39Å
16S92.3Very high92.7Very high1 Ų147.6 Ų47.61%0.00724%0.239CC..Hα-helixtrans-56.3-47.3177.6-55.20000111.1V12 A13 R18 L19 R20 L90 I93V12-S16 WeakPolarHBondContact O-CB 3.31Å; V12-S16 PolarHBondContact O-N 3.22Å; V12-S16 PolarHBondContact O-OG 3.38Å; A13-S16 PolarHBondContact O-N 2.62Å; S16-R18 VanDerWaalsContact C-N 3.3Å; S16-R18 PolarHBondContact O-N 3.29Å; S16-L19 PolarHBondContact O-N 3.27Å; S16-R20 WeakPolarHBondContact O-CB 3.46Å; S16-R20 PolarHBondContact O-N 2.93Å; S16-L90 WeakPolarHBondContact OG-CD2 3.25Å; S16-L90 VanDerWaalsContact OG-CG 3.24Å; S16-L90 WeakPolarHBondContact OG-CG 3.23Å; S16-I93 WeakPolarHBondContact O-CD1 3.47Å
17E92.5Very high92.6Very high82 Ų8248 Ų4838%0.38324%0.244SC..Hα-helixtrans-63.7-35.3178.9-176.752.9-152.400112.7A13 L15 R20 N21A13-E17 PolarHBondContact O-N 3.24Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 2.97Å; E17-R20 WeakPolarHBondContact O-CB 3.41Å; E17-R20 PolarHBondContact O-N 3.29Å; E17-R20 WeakPolarHBondContact OE2-CD 3.39Å; E17-R20 IonicContact OE2-NE 3.64Å; E17-R20 PolarHBondContact OE2-NE 3.43Å; E17-N21 PolarHBondContact O-N 2.96Å; E17-N21 VanDerWaalsContact O-N 3.12Å; E17-N21 PolarHBondContact O-ND2 3.02Å; E17-N21 PolarHBondContact OE1-ND2 3.08Å
18R93.9Very high92.5Very high29 Ų2948.7 Ų48.711%0.10925%0.253CS..Hα-helixtrans-73.4-38.2177.5-67.7-177.675.7-174.84.3112.3S14 L15 S16 R20 N21 G22 E23 L29S14-R18 WeakPolarHBondContact O-CG 3.44Å; S14-R18 PolarHBondContact O-N 2.96Å; L15-R18 PolarHBondContact O-N 3.36Å; L15-R18 VanDerWaalsContact O-N 3.12Å; S16-R18 VanDerWaalsContact C-N 3.3Å; S16-R18 PolarHBondContact O-N 3.29Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-N21 CarbonylContact O-C 3.56Å; R18-N21 PolarHBondContact O-N 3.14Å; R18-N21 VanDerWaalsContact O-N 3.17Å; R18-G22 PolarHBondContact O-N 3.16Å; R18-E23 HydrophobicContact CB-CB 4.41Å; R18-E23 HydrophobicContact CB-CG 4.5Å; R18-E23 WeakPolarHBondContact CB-OE1 3.08Å; R18-E23 WeakPolarHBondContact CG-OE1 3.37Å; R18-E23 IonicContact CZ-OE1 2.79Å; R18-E23 IonicContact CZ-OE2 2.8Å; R18-E23 VanDerWaalsContact CZ-OE2 3.31Å; R18-E23 IonicContact NE-OE1 3.17Å; R18-E23 PolarHBondContact NE-OE1 3.21Å; R18-E23 IonicContact NE-OE2 3.73Å; R18-E23 PolarHBondContact NE-OE2 2.92Å; R18-E23 IonicContact NH2-OE1 3.37Å; R18-E23 PolarHBondContact NH2-OE1 3.5Å; R18-E23 IonicContact NH2-OE2 3.62Å; R18-E23 PolarHBondContact NH2-OE2 3.21Å; R18-E23 WeakPolarHBondContact O-CB 3.48Å; R18-E23 PolarHBondContact O-N 3.27Å; R18-E23 VanDerWaalsContact O-N 3.1Å; R18-L29 HydrophobicContact CB-CD1 4.18Å; R18-L29 HydrophobicContact CB-CD2 3.81Å; R18-L29 HydrophobicContact CG-CD2 4.37Å
19L92.5Very high92.4Very high0 Ų048.7 Ų48.70%025%0.254CS..Hα-helixtrans-62-41.1170.9-71.6173.7000111.2L15 S16 N21 G22 E23 R24 I26 L29 L90 I93 L99 W101L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 2.88Å; S16-L19 PolarHBondContact O-N 3.27Å; L19-N21 PolarHBondContact O-N 3.34Å; L19-G22 PolarHBondContact O-N 3.11Å; L19-G22 VanDerWaalsContact O-N 3.08Å; L19-E23 VanDerWaalsContact CD2-O 3.27Å; L19-E23 WeakPolarHBondContact CD2-O 3.49Å; L19-R24 PolarHBondContact O-NH1 2.73Å; L19-I26 HydrophobicContact CD1-CD1 4.43Å; L19-I26 HydrophobicContact CD2-CD1 3.84Å; L19-L29 HydrophobicContact CD2-CD1 4.15Å; L19-L29 HydrophobicContact CG-CD1 4.3Å; L19-L90 HydrophobicContact CD1-CD2 3.57Å; L19-I93 HydrophobicContact CB-CG2 4.27Å; L19-L99 HydrophobicContact CD2-CD2 4.35Å; L19-W101 HydrophobicContact CD1-CH2 3.95Å; L19-W101 HydrophobicContact CD1-CZ3 4.49Å
20R91Very high92.4Very high83 Ų8344.5 Ų44.531%0.31324%0.239SC..Hα-helixtrans-57.2-39.5173.3-176.5-173.1-54.2-63.1-0.5111.9S16 E17 R18 G22 E89 I93S16-R20 WeakPolarHBondContact O-CB 3.46Å; S16-R20 PolarHBondContact O-N 2.93Å; E17-R20 WeakPolarHBondContact O-CB 3.41Å; E17-R20 PolarHBondContact O-N 3.29Å; E17-R20 WeakPolarHBondContact OE2-CD 3.39Å; E17-R20 IonicContact OE2-NE 3.64Å; E17-R20 PolarHBondContact OE2-NE 3.43Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R20-G22 PolarHBondContact O-N 3.11Å; R20-E89 IonicContact CZ-OE1 3.52Å; R20-E89 IonicContact NE-OE1 3.04Å; R20-E89 VanDerWaalsContact NH2-CD 3.35Å; R20-E89 IonicContact NH2-OE1 3.1Å; R20-E89 PolarHBondContact NH2-OE1 3.23Å; R20-I93 HydrophobicContact CB-CD1 3.99Å; R20-I93 HydrophobicContact CB-CG1 4.03Å; R20-I93 HydrophobicContact CG-CG1 4.46Å
21N92.1Very high92.4Very high112 Ų11244 Ų4460%0.59924%0.237SC*.THydrogen-bonded Turntrans-81.58.2179.7-68.9-46.7000114.2E17 R18 L19E17-N21 PolarHBondContact O-N 2.96Å; E17-N21 VanDerWaalsContact O-N 3.12Å; E17-N21 PolarHBondContact O-ND2 3.02Å; E17-N21 PolarHBondContact OE1-ND2 3.08Å; R18-N21 CarbonylContact O-C 3.56Å; R18-N21 PolarHBondContact O-N 3.14Å; R18-N21 VanDerWaalsContact O-N 3.17Å; L19-N21 PolarHBondContact O-N 3.34Å
22G90.5Very high92.4Very high44 Ų4447.1 Ų47.145%0.45425%0.251SS..THydrogen-bonded Turntrans93.12.9171.100000115.2R18 L19 R20 R24R18-G22 PolarHBondContact O-N 3.16Å; L19-G22 PolarHBondContact O-N 3.11Å; L19-G22 VanDerWaalsContact O-N 3.08Å; R20-G22 PolarHBondContact O-N 3.11Å; G22-R24 VanDerWaalsContact C-NH1 3.33Å
23E93.4Very high92.3Very high76 Ų7647.2 Ų47.236%0.35525%0.252SS..  trans-71.8142.2174.7-57.9-170.1-115.800110.7R18 L19 L29R18-E23 HydrophobicContact CB-CB 4.41Å; R18-E23 HydrophobicContact CB-CG 4.5Å; R18-E23 WeakPolarHBondContact CB-OE1 3.08Å; R18-E23 WeakPolarHBondContact CG-OE1 3.37Å; R18-E23 IonicContact CZ-OE1 2.79Å; R18-E23 IonicContact CZ-OE2 2.8Å; R18-E23 VanDerWaalsContact CZ-OE2 3.31Å; R18-E23 IonicContact NE-OE1 3.17Å; R18-E23 PolarHBondContact NE-OE1 3.21Å; R18-E23 IonicContact NE-OE2 3.73Å; R18-E23 PolarHBondContact NE-OE2 2.92Å; R18-E23 IonicContact NH2-OE1 3.37Å; R18-E23 PolarHBondContact NH2-OE1 3.5Å; R18-E23 IonicContact NH2-OE2 3.62Å; R18-E23 PolarHBondContact NH2-OE2 3.21Å; R18-E23 WeakPolarHBondContact O-CB 3.48Å; R18-E23 PolarHBondContact O-N 3.27Å; R18-E23 VanDerWaalsContact O-N 3.1Å; L19-E23 VanDerWaalsContact CD2-O 3.27Å; L19-E23 WeakPolarHBondContact CD2-O 3.49Å; E23-L29 HydrophobicContact CB-CD1 4.34Å; E23-L29 HydrophobicContact CB-CD2 3.92Å; E23-L29 HydrophobicContact CG-CD2 4.5Å; E23-L29 WeakPolarHBondContact OE2-CD2 3.07Å
24R89.9Confident92.4Very high83 Ų8347.9 Ų47.931%0.31325%0.246SC..  trans-130.7-9.5-174.7-58.9-65.3173.8-110.312.9114.7L19 G22 I26L19-R24 PolarHBondContact O-NH1 2.73Å; G22-R24 VanDerWaalsContact C-NH1 3.33Å; R24-I26 PolarHBondContact O-N 3.12Å; R24-I26 VanDerWaalsContact O-N 3.09Å
25D91.1Very high92.5Very high97 Ų9750.7 Ų50.752%0.51926%0.255SS..  trans-82.384179.7-174.6-18.2000110.5D27 A28 L29D25-D27 PolarHBondContact O-N 3.47Å; D25-D27 PolarHBondContact OD1-N 3.1Å; D25-A28 HydrophobicContact CB-CB 4.01Å; D25-A28 PolarHBondContact O-N 2.88Å; D25-A28 WeakPolarHBondContact OD1-CB 3.43Å; D25-A28 PolarHBondContact OD1-N 3.05Å; D25-A28 WeakPolarHBondContact OD2-CB 3.11Å; D25-L29 VanDerWaalsContact O-CG 3.23Å; D25-L29 WeakPolarHBondContact O-CG 3.36Å; D25-L29 PolarHBondContact O-N 3.27Å
26I90.1Very high92.5Very high4 Ų457 Ų572%0.02128%0.279CS..Hα-helixtrans-57.1-39.1-177.1-63.2-56.8000112.1L19 R24 A28 L29 V30 L59 V104 F105L19-I26 HydrophobicContact CD1-CD1 4.43Å; L19-I26 HydrophobicContact CD2-CD1 3.84Å; R24-I26 PolarHBondContact O-N 3.12Å; R24-I26 VanDerWaalsContact O-N 3.09Å; I26-A28 VanDerWaalsContact C-N 3.35Å; I26-A28 PolarHBondContact O-N 2.85Å; I26-L29 HydrophobicContact CD1-CD1 4.11Å; I26-L29 PolarHBondContact O-N 3.35Å; I26-V30 HydrophobicContact CG2-CG2 3.88Å; I26-V30 WeakPolarHBondContact O-CB 3.26Å; I26-V30 VanDerWaalsContact O-CG2 3.3Å; I26-V30 WeakPolarHBondContact O-CG2 3.4Å; I26-V30 PolarHBondContact O-N 3.45Å; I26-L59 HydrophobicContact CD1-CD2 3.77Å; I26-L59 HydrophobicContact CG1-CD2 4.35Å; I26-L59 HydrophobicContact CG2-CD2 4.06Å; I26-V104 HydrophobicContact CB-CG1 4.5Å; I26-V104 HydrophobicContact CD1-CG1 3.64Å; I26-V104 HydrophobicContact CG1-CG1 3.15Å; I26-F105 HydrophobicContact CB-CE1 4.25Å; I26-F105 HydrophobicContact CG1-CE1 4.17Å; I26-F105 HydrophobicContact CG1-CZ 4.09Å; I26-F105 HydrophobicContact CG2-CE1 3.86Å; I26-F105 HydrophobicContact CG2-CZ 4.09Å
27D89.9Confident92.6Very high94 Ų9457.1 Ų57.150%0.50328%0.28SS..Hα-helixtrans-64.4-43.4-178.3-68.5-28.5000110.2D25 E31 R56D25-D27 PolarHBondContact O-N 3.47Å; D25-D27 PolarHBondContact OD1-N 3.1Å; D27-E31 WeakPolarHBondContact O-CB 3.38Å; D27-E31 PolarHBondContact O-N 3Å; D27-R56 IonicContact OD1-CZ 3.36Å; D27-R56 IonicContact OD1-NE 2.6Å; D27-R56 PolarHBondContact OD1-NE 3.3Å; D27-R56 IonicContact OD1-NH2 3.71Å; D27-R56 PolarHBondContact OD1-NH2 3.47Å; D27-R56 VanDerWaalsContact OD1-NH2 3.1Å
28A92.9Very high92.7Very high32 Ų3256 Ų5626%0.26428%0.276SS..Hα-helixtrans-66-38.3172.600000112.7D25 I26 Q32D25-A28 HydrophobicContact CB-CB 4.01Å; D25-A28 PolarHBondContact O-N 2.88Å; D25-A28 WeakPolarHBondContact OD1-CB 3.43Å; D25-A28 PolarHBondContact OD1-N 3.05Å; D25-A28 WeakPolarHBondContact OD2-CB 3.11Å; I26-A28 VanDerWaalsContact C-N 3.35Å; I26-A28 PolarHBondContact O-N 2.85Å; A28-Q32 WeakPolarHBondContact O-CB 3.4Å; A28-Q32 WeakPolarHBondContact O-CG 3.34Å; A28-Q32 PolarHBondContact O-N 3.33Å
29L93.8Very high92.7Very high1 Ų162.2 Ų62.21%0.00530%0.303CS..Hα-helixtrans-62.9-47.6178.3-67-171.8000111.3L15 R18 L19 E23 D25 I26 A33L15-L29 HydrophobicContact CD2-CB 3.46Å; L15-L29 VanDerWaalsContact CD2-CB 3.46Å; L15-L29 HydrophobicContact CD2-CD1 4.31Å; L15-L29 HydrophobicContact CD2-CG 4.49Å; R18-L29 HydrophobicContact CB-CD1 4.18Å; R18-L29 HydrophobicContact CB-CD2 3.81Å; R18-L29 HydrophobicContact CG-CD2 4.37Å; L19-L29 HydrophobicContact CD2-CD1 4.15Å; L19-L29 HydrophobicContact CG-CD1 4.3Å; E23-L29 HydrophobicContact CB-CD1 4.34Å; E23-L29 HydrophobicContact CB-CD2 3.92Å; E23-L29 HydrophobicContact CG-CD2 4.5Å; E23-L29 WeakPolarHBondContact OE2-CD2 3.07Å; D25-L29 VanDerWaalsContact O-CG 3.23Å; D25-L29 WeakPolarHBondContact O-CG 3.36Å; D25-L29 PolarHBondContact O-N 3.27Å; I26-L29 HydrophobicContact CD1-CD1 4.11Å; I26-L29 PolarHBondContact O-N 3.35Å; L29-A33 WeakPolarHBondContact O-CB 3.49Å; L29-A33 PolarHBondContact O-N 3.44Å
30V92.5Very high92.8Very high13 Ų1365.4 Ų65.48%0.07932%0.323CS..Hα-helixtrans-66.8-42.3179.7171.70000110.9L15 I26 A33 R34 T52L15-V30 HydrophobicContact CD1-CG2 4.17Å; L15-V30 HydrophobicContact CD2-CG2 4.28Å; I26-V30 HydrophobicContact CG2-CG2 3.88Å; I26-V30 WeakPolarHBondContact O-CB 3.26Å; I26-V30 VanDerWaalsContact O-CG2 3.3Å; I26-V30 WeakPolarHBondContact O-CG2 3.4Å; I26-V30 PolarHBondContact O-N 3.45Å; V30-A33 WeakPolarHBondContact O-CB 3.45Å; V30-A33 PolarHBondContact O-N 2.67Å; V30-R34 WeakPolarHBondContact O-CB 3.29Å; V30-R34 PolarHBondContact O-N 2.98Å; V30-T52 HydrophobicContact CG1-CG2 4.46Å
31E93.7Very high92.9Very high78 Ų7864.5 Ų64.536%0.36434%0.34SS..Hα-helixtrans-66.4-39.6178.6-171.957.2-149.100112D27 A33 R34 E35D27-E31 WeakPolarHBondContact O-CB 3.38Å; D27-E31 PolarHBondContact O-N 3Å; E31-A33 VanDerWaalsContact C-N 3.3Å; E31-A33 PolarHBondContact O-N 2.71Å; E31-R34 VanDerWaalsContact O-CB 3.28Å; E31-R34 WeakPolarHBondContact O-CB 3.24Å; E31-R34 PolarHBondContact O-N 3.27Å; E31-R34 IonicContact OE1-CZ 2.77Å; E31-R34 IonicContact OE1-NH1 2.67Å; E31-R34 PolarHBondContact OE1-NH1 2.86Å; E31-R34 WeakPolarHBondContact OE2-CD 3.44Å; E31-R34 IonicContact OE2-NH1 3.44Å; E31-E35 PolarHBondContact O-N 2.9Å
32Q94.2Very high93Very high77 Ų7763.9 Ų63.936%0.3633%0.333SS..Hα-helixtrans-65.4-37.5174.9-71.6174.929.700112A28 R36A28-Q32 WeakPolarHBondContact O-CB 3.4Å; A28-Q32 WeakPolarHBondContact O-CG 3.34Å; A28-Q32 PolarHBondContact O-N 3.33Å; Q32-R36 WeakPolarHBondContact O-CG 3.2Å; Q32-R36 PolarHBondContact O-N 3.06Å
33A92.7Very high93.2Very high5 Ų562.5 Ų62.54%0.04132%0.315CS..Hα-helixtrans-61.3-46.8171.900000111.1L11 L29 V30 E31 E35 R36 V37L11-A33 HydrophobicContact CD2-CB 3.37Å; L29-A33 WeakPolarHBondContact O-CB 3.49Å; L29-A33 PolarHBondContact O-N 3.44Å; V30-A33 WeakPolarHBondContact O-CB 3.45Å; V30-A33 PolarHBondContact O-N 2.67Å; E31-A33 VanDerWaalsContact C-N 3.3Å; E31-A33 PolarHBondContact O-N 2.71Å; A33-E35 PolarHBondContact O-N 2.85Å; A33-R36 WeakPolarHBondContact O-CB 3.17Å; A33-R36 PolarHBondContact O-N 2.93Å; A33-R36 VanDerWaalsContact O-N 3.17Å; A33-V37 WeakPolarHBondContact O-CG2 3.33Å; A33-V37 PolarHBondContact O-N 3.17Å
34R93.9Very high93.2Very high56 Ų5662.6 Ų62.621%0.21132%0.321CS..Hα-helixtrans-54.1-52175.6-179.6171.8173.9-84.6-2.7111.9V30 E31 R36 V37 I38 V48 D49 T52V30-R34 WeakPolarHBondContact O-CB 3.29Å; V30-R34 PolarHBondContact O-N 2.98Å; E31-R34 VanDerWaalsContact O-CB 3.28Å; E31-R34 WeakPolarHBondContact O-CB 3.24Å; E31-R34 PolarHBondContact O-N 3.27Å; E31-R34 IonicContact OE1-CZ 2.77Å; E31-R34 IonicContact OE1-NH1 2.67Å; E31-R34 PolarHBondContact OE1-NH1 2.86Å; E31-R34 WeakPolarHBondContact OE2-CD 3.44Å; E31-R34 IonicContact OE2-NH1 3.44Å; R34-R36 VanDerWaalsContact C-N 3.27Å; R34-R36 PolarHBondContact O-N 3.18Å; R34-V37 PolarHBondContact O-N 3.46Å; R34-I38 HydrophobicContact CG-CD1 4.05Å; R34-I38 WeakPolarHBondContact O-CG1 2.9Å; R34-I38 PolarHBondContact O-N 3.32Å; R34-V48 HydrophobicContact CG-CG1 3.79Å; R34-D49 IonicContact CZ-OD1 3.92Å; R34-D49 VanDerWaalsContact CZ-OD1 3.26Å; R34-D49 IonicContact NE-OD1 3.99Å; R34-D49 PolarHBondContact NE-OD1 3.34Å; R34-D49 IonicContact NH2-OD1 3.51Å; R34-D49 PolarHBondContact NH2-OD1 3.45Å; R34-T52 HydrophobicContact CB-CG2 3.62Å; R34-T52 HydrophobicContact CG-CG2 3.92Å
35E95.3Very high93.3Very high93 Ų9367.8 Ų67.844%0.43534%0.341SS..Hα-helixtrans-59.1-38.4178.7-73.4-171.6179.100112.8E31 A33 K39E31-E35 PolarHBondContact O-N 2.9Å; A33-E35 PolarHBondContact O-N 2.85Å; E35-K39 VanDerWaalsContact O-CG 3.26Å; E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 3.19Å; E35-K39 VanDerWaalsContact O-N 3.11Å; E35-K39 IonicContact OE2-NZ 3.93Å
36R93.8Very high93.4Very high136 Ų13667.5 Ų67.551%0.51334%0.343SS..Hα-helixtrans-63.5-46.1176.9-72.2172.1-173.5179.12.5110.8Q32 A33 R34 K39 T40Q32-R36 WeakPolarHBondContact O-CG 3.2Å; Q32-R36 PolarHBondContact O-N 3.06Å; A33-R36 WeakPolarHBondContact O-CB 3.17Å; A33-R36 PolarHBondContact O-N 2.93Å; A33-R36 VanDerWaalsContact O-N 3.17Å; R34-R36 VanDerWaalsContact C-N 3.27Å; R34-R36 PolarHBondContact O-N 3.18Å; R36-K39 PolarHBondContact O-N 2.81Å; R36-T40 WeakPolarHBondContact O-CG2 3.39Å; R36-T40 PolarHBondContact O-N 3.22Å
37V94.1Very high93.6Very high5 Ų570.5 Ų70.53%0.0336%0.356CS..Hα-helixtrans-64-43178.8-177.90000110.8Y7 L11 A33 R34 K39 T40 L43 V48 L51Y7-V37 HydrophobicContact CD1-CG1 4.07Å; Y7-V37 HydrophobicContact CD1-CG2 4.09Å; Y7-V37 HydrophobicContact CE1-CG1 4.31Å; Y7-V37 HydrophobicContact CG-CG1 4.31Å; L11-V37 HydrophobicContact CD1-CG2 4.37Å; L11-V37 HydrophobicContact CD2-CG2 3.78Å; L11-V37 HydrophobicContact CG-CG2 4.25Å; A33-V37 WeakPolarHBondContact O-CG2 3.33Å; A33-V37 PolarHBondContact O-N 3.17Å; R34-V37 PolarHBondContact O-N 3.46Å; V37-K39 VanDerWaalsContact C-N 3.27Å; V37-K39 PolarHBondContact O-N 3.11Å; V37-T40 WeakPolarHBondContact O-CB 3.4Å; V37-T40 PolarHBondContact O-N 3.17Å; V37-T40 VanDerWaalsContact O-N 3.08Å; V37-T40 PolarHBondContact O-OG1 2.8Å; V37-L43 HydrophobicContact CG1-CD1 3.92Å; V37-L43 HydrophobicContact CG1-CG 4.44Å; V37-V48 HydrophobicContact CB-CG1 4.27Å; V37-V48 HydrophobicContact CB-CG2 4.4Å; V37-V48 HydrophobicContact CG1-CG1 4.32Å; V37-V48 HydrophobicContact CG1-CG2 3.7Å; V37-L51 HydrophobicContact CG1-CD2 4.29Å
38I94.6Very high93.9Very high58 Ų5866 Ų6630%0.29733%0.333SS..Hα-helixtrans-56.5-42.2175.5-68.4171.9000111.4R34 T40 G41 V48R34-I38 HydrophobicContact CG-CD1 4.05Å; R34-I38 WeakPolarHBondContact O-CG1 2.9Å; R34-I38 PolarHBondContact O-N 3.32Å; I38-T40 PolarHBondContact O-N 2.92Å; I38-G41 PolarHBondContact O-N 2.79Å; I38-G41 VanDerWaalsContact O-N 3.13Å; I38-V48 HydrophobicContact CG1-CB 4.34Å; I38-V48 HydrophobicContact CG1-CG1 3.95Å; I38-V48 HydrophobicContact CG1-CG2 4.27Å
39K94.6Very high93.9Very high160 Ų16067.8 Ų67.870%0.69634%0.337SS*.Hα-helixtrans-65.8-21.7-179.2-73.8167.7-172.4165.40113.4E35 R36 V37 G41E35-K39 VanDerWaalsContact O-CG 3.26Å; E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 3.19Å; E35-K39 VanDerWaalsContact O-N 3.11Å; E35-K39 IonicContact OE2-NZ 3.93Å; R36-K39 PolarHBondContact O-N 2.81Å; V37-K39 VanDerWaalsContact C-N 3.27Å; V37-K39 PolarHBondContact O-N 3.11Å; K39-G41 VanDerWaalsContact C-N 3.26Å; K39-G41 PolarHBondContact O-N 3.24Å
40T93.7Very high93.8Very high66 Ų6672.1 Ų72.141%0.40536%0.358SS..Hα-helixtrans-68.4-28.4174.771.70000112.3Y7 R36 V37 I38 E42Y7-T40 HydrophobicContact CE1-CG2 4.28Å; Y7-T40 PolarHBondContact OH-OG1 3.46Å; R36-T40 WeakPolarHBondContact O-CG2 3.39Å; R36-T40 PolarHBondContact O-N 3.22Å; V37-T40 WeakPolarHBondContact O-CB 3.4Å; V37-T40 PolarHBondContact O-N 3.17Å; V37-T40 VanDerWaalsContact O-N 3.08Å; V37-T40 PolarHBondContact O-OG1 2.8Å; I38-T40 PolarHBondContact O-N 2.92Å; T40-E42 PolarHBondContact O-N 2.82Å; T40-E42 PolarHBondContact OG1-N 3.35Å
41G93.7Very high93.8Very high65 Ų6571.5 Ų71.567%0.6735%0.354SS*.THydrogen-bonded Turntrans66.89.8-173.100000114.4I38 K39I38-G41 PolarHBondContact O-N 2.79Å; I38-G41 VanDerWaalsContact O-N 3.13Å; K39-G41 VanDerWaalsContact C-N 3.26Å; K39-G41 PolarHBondContact O-N 3.24Å
42E94.7Very high93.8Very high98 Ų9868.5 Ų68.546%0.45834%0.341SS..SBendtrans-83.1-22.8-176.1-71.8-143.8-156.400114.5K3 Y7 T40K3-E42 IonicContact NZ-OE2 3.96Å; K3-E42 PolarHBondContact NZ-OE2 2.97Å; Y7-E42 HydrophobicContact CE2-CB 3.79Å; Y7-E42 VanDerWaalsContact OH-CB 3.25Å; Y7-E42 WeakPolarHBondContact OH-CB 3.25Å; Y7-E42 VanDerWaalsContact OH-CG 3.23Å; Y7-E42 WeakPolarHBondContact OH-CG 3.47Å; Y7-E42 PolarHBondContact OH-OE1 3.43Å; T40-E42 PolarHBondContact O-N 2.82Å; T40-E42 PolarHBondContact OG1-N 3.35Å
43L93.7Very high93.7Very high15 Ų1572.3 Ų72.38%0.07935%0.352CS..SBendtrans-121.1148.2178.3-62.4-174.6000109.9K3 V4 Y7 V37 E47 V48 L51K3-L43 HydrophobicContact CB-CD2 4.05Å; V4-L43 HydrophobicContact CG2-CD2 4.03Å; Y7-L43 HydrophobicContact CD2-CD1 3.63Å; Y7-L43 HydrophobicContact CD2-CD2 4.19Å; Y7-L43 HydrophobicContact CD2-CG 3.82Å; Y7-L43 HydrophobicContact CE2-CD1 4.3Å; Y7-L43 HydrophobicContact CE2-CD2 4.42Å; Y7-L43 HydrophobicContact CE2-CG 4.02Å; Y7-L43 HydrophobicContact CG-CD1 4.05Å; V37-L43 HydrophobicContact CG1-CD1 3.92Å; V37-L43 HydrophobicContact CG1-CG 4.44Å; L43-E47 HydrophobicContact CB-CB 4.1Å; L43-V48 HydrophobicContact CB-CG2 3.66Å; L43-V48 HydrophobicContact CD1-CG2 4.32Å; L43-L51 HydrophobicContact CD1-CD2 3.89Å
44T94.2Very high93.6Very high79 Ų7972 Ų7249%0.48535%0.35SS..  trans-67.2158.6169.664.60000110.6T46 E47 V48T44-T46 PolarHBondContact O-N 3.46Å; T44-E47 WeakPolarHBondContact CB-OE2 3.3Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.37Å; T44-E47 PolarHBondContact N-OE2 2.68Å; T44-E47 PolarHBondContact O-N 2.81Å; T44-E47 VanDerWaalsContact O-N 3.16Å; T44-E47 WeakPolarHBondContact OG1-CB 3.47Å; T44-E47 VanDerWaalsContact OG1-CG 3.25Å; T44-E47 WeakPolarHBondContact OG1-CG 3.45Å; T44-E47 PolarHBondContact OG1-N 2.92Å; T44-E47 PolarHBondContact OG1-OE2 2.71Å; T44-V48 WeakPolarHBondContact O-CG2 3.28Å; T44-V48 PolarHBondContact O-N 2.77Å
45R93.2Very high93.6Very high192 Ų19269.5 Ų69.573%0.72534%0.341SS*.Hα-helixtrans-55.7-41.7177.5-71.9-174173.9-170.4-2.6112.3V48 D49R45-V48 PolarHBondContact O-N 2.94Å; R45-D49 PolarHBondContact O-N 2.77Å
46T92.8Very high93.4Very high90 Ų9069 Ų6955%0.55234%0.335SS*.Hα-helixtrans-62-47.5177.2-55.50000111.6T44 V48 D49 E50T44-T46 PolarHBondContact O-N 3.46Å; T46-V48 VanDerWaalsContact C-N 3.28Å; T46-V48 PolarHBondContact O-N 3.42Å; T46-D49 PolarHBondContact O-N 2.85Å; T46-E50 WeakPolarHBondContact O-CB 3.32Å; T46-E50 WeakPolarHBondContact O-CG 3.41Å; T46-E50 PolarHBondContact O-N 3.48Å
47E93.5Very high93.2Very high67 Ų6763 Ų6331%0.31331%0.312SS..Hα-helixtrans-61.5-37.4176.6-73.5165.6132.500112V4 L43 T44 L51V4-E47 HydrophobicContact CG2-CG 4.48Å; L43-E47 HydrophobicContact CB-CB 4.1Å; T44-E47 WeakPolarHBondContact CB-OE2 3.3Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.37Å; T44-E47 PolarHBondContact N-OE2 2.68Å; T44-E47 PolarHBondContact O-N 2.81Å; T44-E47 VanDerWaalsContact O-N 3.16Å; T44-E47 WeakPolarHBondContact OG1-CB 3.47Å; T44-E47 VanDerWaalsContact OG1-CG 3.25Å; T44-E47 WeakPolarHBondContact OG1-CG 3.45Å; T44-E47 PolarHBondContact OG1-N 2.92Å; T44-E47 PolarHBondContact OG1-OE2 2.71Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 2.89Å
48V95.4Very high93Very high0 Ų062.9 Ų62.90%031%0.311CS..Hα-helixtrans-66.9-43.8175.8179.50000111.5R34 V37 I38 L43 T44 R45 T46 E50 L51 T52R34-V48 HydrophobicContact CG-CG1 3.79Å; V37-V48 HydrophobicContact CB-CG1 4.27Å; V37-V48 HydrophobicContact CB-CG2 4.4Å; V37-V48 HydrophobicContact CG1-CG1 4.32Å; V37-V48 HydrophobicContact CG1-CG2 3.7Å; I38-V48 HydrophobicContact CG1-CB 4.34Å; I38-V48 HydrophobicContact CG1-CG1 3.95Å; I38-V48 HydrophobicContact CG1-CG2 4.27Å; L43-V48 HydrophobicContact CB-CG2 3.66Å; L43-V48 HydrophobicContact CD1-CG2 4.32Å; T44-V48 WeakPolarHBondContact O-CG2 3.28Å; T44-V48 PolarHBondContact O-N 2.77Å; R45-V48 PolarHBondContact O-N 2.94Å; T46-V48 VanDerWaalsContact C-N 3.28Å; T46-V48 PolarHBondContact O-N 3.42Å; V48-E50 VanDerWaalsContact C-N 3.33Å; V48-L51 WeakPolarHBondContact O-CB 3.44Å; V48-L51 PolarHBondContact O-N 3.35Å; V48-T52 HydrophobicContact CG1-CG2 4.22Å; V48-T52 VanDerWaalsContact O-CG2 3.3Å; V48-T52 WeakPolarHBondContact O-CG2 3.38Å; V48-T52 PolarHBondContact O-N 3.21Å; V48-T52 PolarHBondContact O-OG1 2.89Å; V48-T52 VanDerWaalsContact O-OG1 3.11Å
49D93Very high92.8Very high69 Ų6960.2 Ų60.237%0.36930%0.298SS..Hα-helixtrans-65.6-37.8179.2-66.7-25.7000111.3R34 R45 T46 T52 R53R34-D49 IonicContact CZ-OD1 3.92Å; R34-D49 VanDerWaalsContact CZ-OD1 3.26Å; R34-D49 IonicContact NE-OD1 3.99Å; R34-D49 PolarHBondContact NE-OD1 3.34Å; R34-D49 IonicContact NH2-OD1 3.51Å; R34-D49 PolarHBondContact NH2-OD1 3.45Å; R45-D49 PolarHBondContact O-N 2.77Å; T46-D49 PolarHBondContact O-N 2.85Å; D49-T52 PolarHBondContact O-OG1 2.85Å; D49-R53 WeakPolarHBondContact O-CB 3.44Å; D49-R53 PolarHBondContact O-N 2.99Å; D49-R53 VanDerWaalsContact O-N 3.1Å
50E91.9Very high92.6Very high93 Ų9353 Ų5344%0.43527%0.266SS..Hα-helixtrans-66.4-44.8173.3-74173.6178.200111.8T46 V48 R53 A54T46-E50 WeakPolarHBondContact O-CB 3.32Å; T46-E50 WeakPolarHBondContact O-CG 3.41Å; T46-E50 PolarHBondContact O-N 3.48Å; V48-E50 VanDerWaalsContact C-N 3.33Å; E50-R53 PolarHBondContact O-N 3.4Å; E50-A54 WeakPolarHBondContact O-CB 3.5Å; E50-A54 PolarHBondContact O-N 2.9Å
51L94Very high92.3Very high0 Ų051.5 Ų51.50%026%0.255CS..Hα-helixtrans-58.6-49.9177.3168.966.4000111.8V4 Y8 L11 V37 L43 E47 V48 A54 V55 V119V4-L51 HydrophobicContact CG1-CB 4.4Å; V4-L51 HydrophobicContact CG1-CD1 4.25Å; Y8-L51 VanDerWaalsContact CA-CD1 3.49Å; Y8-L51 HydrophobicContact CD2-CD1 4.14Å; Y8-L51 HydrophobicContact CG-CD1 4.37Å; L11-L51 HydrophobicContact CD1-CD1 4.23Å; L11-L51 HydrophobicContact CD1-CD2 3.66Å; L11-L51 HydrophobicContact CD1-CG 3.68Å; L11-L51 HydrophobicContact CG-CD2 4.47Å; V37-L51 HydrophobicContact CG1-CD2 4.29Å; L43-L51 HydrophobicContact CD1-CD2 3.89Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 2.89Å; V48-L51 WeakPolarHBondContact O-CB 3.44Å; V48-L51 PolarHBondContact O-N 3.35Å; L51-A54 PolarHBondContact O-N 2.94Å; L51-V55 HydrophobicContact CD1-CG2 4.36Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 3.29Å; L51-V119 HydrophobicContact CD1-CG1 4.08Å
52T93.7Very high92.1Very high14 Ų1448.7 Ų48.79%0.08622%0.224CC..Hα-helixtrans-69.4-37.5-177.356.30000111.2L11 V30 R34 V48 D49 A54 V55 R56L11-T52 HydrophobicContact CD1-CG2 4.26Å; V30-T52 HydrophobicContact CG1-CG2 4.46Å; R34-T52 HydrophobicContact CB-CG2 3.62Å; R34-T52 HydrophobicContact CG-CG2 3.92Å; V48-T52 HydrophobicContact CG1-CG2 4.22Å; V48-T52 VanDerWaalsContact O-CG2 3.3Å; V48-T52 WeakPolarHBondContact O-CG2 3.38Å; V48-T52 PolarHBondContact O-N 3.21Å; V48-T52 PolarHBondContact O-OG1 2.89Å; V48-T52 VanDerWaalsContact O-OG1 3.11Å; D49-T52 PolarHBondContact O-OG1 2.85Å; T52-A54 VanDerWaalsContact C-N 3.35Å; T52-V55 PolarHBondContact O-N 3.25Å; T52-R56 WeakPolarHBondContact O-CB 3.26Å; T52-R56 PolarHBondContact O-N 3.43Å
53R90.9Very high91.8Very high157 Ų15744 Ų4459%0.59220%0.202SC*.Hα-helixtrans-61.4-42.3171.6-177.7179.1178.7176.6-1.6112D49 E50 R56 R57D49-R53 WeakPolarHBondContact O-CB 3.44Å; D49-R53 PolarHBondContact O-N 2.99Å; D49-R53 VanDerWaalsContact O-N 3.1Å; E50-R53 PolarHBondContact O-N 3.4Å; R53-R56 PolarHBondContact O-N 2.98Å; R53-R57 WeakPolarHBondContact O-CG 3.29Å; R53-R57 PolarHBondContact O-N 3.5Å
54A91.5Very high91.4Very high0 Ų045 Ų450%021%0.207CC..Hα-helixtrans-63.4-49.2177.300000111.7Y8 E50 L51 T52 R56 R57 D58 V119Y8-A54 HydrophobicContact CE2-CB 4.31Å; E50-A54 WeakPolarHBondContact O-CB 3.5Å; E50-A54 PolarHBondContact O-N 2.9Å; L51-A54 PolarHBondContact O-N 2.94Å; T52-A54 VanDerWaalsContact C-N 3.35Å; A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 3.47Å; A54-R57 PolarHBondContact O-N 3.04Å; A54-D58 WeakPolarHBondContact O-CB 3.38Å; A54-D58 PolarHBondContact O-N 3.1Å; A54-V119 HydrophobicContact CB-CG1 3.59Å; A54-V119 WeakPolarHBondContact CB-O 3.17Å
55V92.9Very high91Very high2 Ų242.1 Ų42.11%0.01219%0.19CC..Hα-helixtrans-58-43.3177.4171.30000111.3Y8 L11 V12 L15 L51 T52 D58 L59Y8-V55 HydrophobicContact CD2-CG2 3.51Å; Y8-V55 HydrophobicContact CE2-CB 4.36Å; Y8-V55 HydrophobicContact CE2-CG2 3.57Å; Y8-V55 HydrophobicContact CG-CG2 4.13Å; L11-V55 HydrophobicContact CB-CG2 4.09Å; L11-V55 HydrophobicContact CD1-CG2 4.19Å; V12-V55 HydrophobicContact CG2-CG1 4.13Å; V12-V55 HydrophobicContact CG2-CG2 4.34Å; L15-V55 HydrophobicContact CD1-CG1 3.39Å; L51-V55 HydrophobicContact CD1-CG2 4.36Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 3.29Å; T52-V55 PolarHBondContact O-N 3.25Å; V55-D58 PolarHBondContact O-N 3.07Å; V55-L59 WeakPolarHBondContact O-CB 3.19Å; V55-L59 PolarHBondContact O-N 3.33Å
56R91.5Very high90.7Very high82 Ų8233.6 Ų33.631%0.30916%0.158SC..Hα-helixtrans-62.8-49.3178.3-171.1176-174-71.3-4.9111.8D27 T52 R53 A54 D58 L59 E60D27-R56 IonicContact OD1-CZ 3.36Å; D27-R56 IonicContact OD1-NE 2.6Å; D27-R56 PolarHBondContact OD1-NE 3.3Å; D27-R56 IonicContact OD1-NH2 3.71Å; D27-R56 PolarHBondContact OD1-NH2 3.47Å; D27-R56 VanDerWaalsContact OD1-NH2 3.1Å; T52-R56 WeakPolarHBondContact O-CB 3.26Å; T52-R56 PolarHBondContact O-N 3.43Å; R53-R56 PolarHBondContact O-N 2.98Å; A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 3.47Å; R56-D58 VanDerWaalsContact C-N 3.31Å; R56-D58 PolarHBondContact O-N 3.04Å; R56-L59 PolarHBondContact O-N 3.48Å; R56-E60 IonicContact CZ-OE1 2.65Å; R56-E60 IonicContact NH1-OE1 3.4Å; R56-E60 PolarHBondContact NH1-OE1 3Å; R56-E60 IonicContact NH1-OE2 3.68Å; R56-E60 IonicContact NH2-OE1 3.37Å; R56-E60 WeakPolarHBondContact O-CG 3.46Å; R56-E60 PolarHBondContact O-N 3.4Å
57R89.4Confident90.3Very high11 Ų1131 Ų314%0.04214%0.14CC..Hα-helixtrans-59.9-41.2177.9-77.9-171.2-65.9171.8-1112.2R53 A54 L59 E60 E61 H110 E118R53-R57 WeakPolarHBondContact O-CG 3.29Å; R53-R57 PolarHBondContact O-N 3.5Å; A54-R57 PolarHBondContact O-N 3.04Å; R57-L59 VanDerWaalsContact C-N 3.33Å; R57-E60 PolarHBondContact O-N 3.07Å; R57-E61 PolarHBondContact O-N 3.32Å; R57-H110 WeakPolarHBondContact CD-NE2 3.2Å; R57-E118 IonicContact CZ-OE2 3.93Å; R57-E118 IonicContact NH1-OE1 3.34Å; R57-E118 IonicContact NH1-OE2 3.31Å; R57-E118 PolarHBondContact NH1-OE2 2.83Å; R57-E118 IonicContact NH2-OE1 2.75Å; R57-E118 IonicContact NH2-OE2 3.48Å; R57-E118 PolarHBondContact NH2-OE2 2.71Å
58D90.5Very high89.8Confident3 Ų332.3 Ų32.32%0.01615%0.146CC..Hα-helixtrans-73.3-29-178.6-68.3-10.9000112.5Y8 A54 V55 R56 F62 W87 G121 R155Y8-D58 VanDerWaalsContact OH-CB 3.23Å; Y8-D58 WeakPolarHBondContact OH-CB 3.44Å; Y8-D58 PolarHBondContact OH-OD2 3.07Å; A54-D58 WeakPolarHBondContact O-CB 3.38Å; A54-D58 PolarHBondContact O-N 3.1Å; V55-D58 PolarHBondContact O-N 3.07Å; R56-D58 VanDerWaalsContact C-N 3.31Å; R56-D58 PolarHBondContact O-N 3.04Å; D58-F62 WeakPolarHBondContact O-CB 3Å; D58-F62 PolarHBondContact O-N 3.12Å; D58-W87 VanDerWaalsContact C-CH2 3.48Å; D58-W87 HydrophobicContact CB-CH2 3.85Å; D58-W87 HydrophobicContact CB-CZ2 3.63Å; D58-W87 WeakPolarHBondContact O-CH2 3.27Å; D58-G121 WeakPolarHBondContact OD2-CA 3.34Å; D58-G121 PolarHBondContact OD2-N 2.89Å; D58-R155 IonicContact OD1-CZ 3.86Å; D58-R155 IonicContact OD1-NH1 3.92Å; D58-R155 PolarHBondContact OD1-NH1 3.34Å; D58-R155 IonicContact OD1-NH2 3.26Å; D58-R155 PolarHBondContact OD1-NH2 3.16Å; D58-R155 IonicContact OD2-NH2 2.82Å
59L90.5Very high89.3Confident2 Ų232.8 Ų32.81%0.0115%0.149CC..Hα-helixtrans-69.6-39.2171.8-171.563.9000111.6I26 V55 R56 R57 F62 A63 W87 L90 W101 F105I26-L59 HydrophobicContact CD1-CD2 3.77Å; I26-L59 HydrophobicContact CG1-CD2 4.35Å; I26-L59 HydrophobicContact CG2-CD2 4.06Å; V55-L59 WeakPolarHBondContact O-CB 3.19Å; V55-L59 PolarHBondContact O-N 3.33Å; R56-L59 PolarHBondContact O-N 3.48Å; R57-L59 VanDerWaalsContact C-N 3.33Å; L59-F62 PolarHBondContact O-N 2.79Å; L59-A63 WeakPolarHBondContact O-CB 3.48Å; L59-A63 PolarHBondContact O-N 3.05Å; L59-W87 HydrophobicContact CB-CH2 4.33Å; L59-W87 HydrophobicContact CB-CZ3 4.35Å; L59-W87 HydrophobicContact CD1-CH2 4.47Å; L59-W87 HydrophobicContact CD1-CZ3 3.73Å; L59-L90 HydrophobicContact CD1-CD1 3.89Å; L59-L90 HydrophobicContact CD1-CD2 4.43Å; L59-W101 HydrophobicContact CD1-CH2 3.61Å; L59-W101 HydrophobicContact CD1-CZ3 3.97Å; L59-W101 HydrophobicContact CD2-CZ3 4.44Å; L59-W101 HydrophobicContact CG-CH2 4.23Å; L59-W101 HydrophobicContact CG-CZ3 4.07Å; L59-F105 HydrophobicContact CB-CZ 4.04Å; L59-F105 HydrophobicContact CD2-CE2 4.35Å; L59-F105 HydrophobicContact CD2-CZ 3.78Å; L59-F105 HydrophobicContact CG-CE2 3.94Å; L59-F105 HydrophobicContact CG-CZ 3.65Å
60E89.3Confident88.7Confident8 Ų835.3 Ų35.34%0.03716%0.162CC..Hα-helixtrans-62.6-45.9172.4-71.8172.8161.700111.4R56 R57 F62 A63 M64 F105 L108 H110R56-E60 IonicContact CZ-OE1 2.65Å; R56-E60 IonicContact NH1-OE1 3.4Å; R56-E60 PolarHBondContact NH1-OE1 3Å; R56-E60 IonicContact NH1-OE2 3.68Å; R56-E60 IonicContact NH2-OE1 3.37Å; R56-E60 WeakPolarHBondContact O-CG 3.46Å; R56-E60 PolarHBondContact O-N 3.4Å; R57-E60 PolarHBondContact O-N 3.07Å; E60-F62 PolarHBondContact O-N 3.04Å; E60-A63 WeakPolarHBondContact O-CB 3.23Å; E60-A63 PolarHBondContact O-N 3.08Å; E60-M64 WeakPolarHBondContact O-CG 3.44Å; E60-M64 PolarHBondContact O-N 2.74Å; E60-F105 HydrophobicContact CG-CD1 3.63Å; E60-F105 HydrophobicContact CG-CD2 4.44Å; E60-F105 HydrophobicContact CG-CE1 3.39Å; E60-F105 HydrophobicContact CG-CE2 4.21Å; E60-F105 HydrophobicContact CG-CG 4.16Å; E60-F105 HydrophobicContact CG-CZ 3.69Å; E60-L108 HydrophobicContact CB-CD2 4.17Å; E60-L108 HydrophobicContact CG-CD2 4.3Å; E60-H110 IonicContact OE2-CG 3.27Å
61E87.6Confident88.1Confident34 Ų3438 Ų3816%0.15917%0.172CC..Hα-helixtrans-61.2-45176.3-176.477.6-161.400111.8R57 A63 M64 S65 R155R57-E61 PolarHBondContact O-N 3.32Å; E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 3.4Å; E61-M64 PolarHBondContact O-N 3.31Å; E61-S65 VanDerWaalsContact O-CB 3.31Å; E61-S65 WeakPolarHBondContact O-CB 3.33Å; E61-S65 PolarHBondContact O-N 2.69Å; E61-S65 PolarHBondContact O-OG 2.88Å; E61-R155 VanDerWaalsContact CB-NH1 3.35Å; E61-R155 VanDerWaalsContact CG-CD 3.41Å
62F89.4Confident87.2Confident7 Ų742.9 Ų42.93%0.03120%0.195CC..Hα-helixtrans-57.7-47.8175.5170.9-90.2000110.4D58 L59 E60 M64 S65 Y66 F78 I82 W87 L90 A91 W101D58-F62 WeakPolarHBondContact O-CB 3Å; D58-F62 PolarHBondContact O-N 3.12Å; L59-F62 PolarHBondContact O-N 2.79Å; E60-F62 PolarHBondContact O-N 3.04Å; F62-M64 PolarHBondContact O-N 2.93Å; F62-S65 PolarHBondContact O-N 3.24Å; F62-Y66 HydrophobicContact CE1-CD2 4.34Å; F62-Y66 HydrophobicContact CE1-CG 4.42Å; F62-Y66 HydrophobicContact CE2-CD2 4.24Å; F62-Y66 AromaticContact CZ-CD2 3.72Å; F62-Y66 HydrophobicContact CZ-CD2 3.72Å; F62-Y66 HydrophobicContact CZ-CE2 4.4Å; F62-Y66 HydrophobicContact CZ-CG 4.23Å; F62-Y66 WeakPolarHBondContact O-CB 3.39Å; F62-Y66 PolarHBondContact O-N 3.01Å; F62-F78 HydrophobicContact CD2-CZ 4.06Å; F62-F78 HydrophobicContact CE2-CZ 4.32Å; F62-I82 HydrophobicContact CD2-CD1 3.86Å; F62-I82 HydrophobicContact CE2-CD1 3.87Å; F62-I82 HydrophobicContact CE2-CG2 4.36Å; F62-W87 HydrophobicContact CB-CD2 4.4Å; F62-W87 HydrophobicContact CB-CE3 3.71Å; F62-W87 HydrophobicContact CB-CH2 4.48Å; F62-W87 HydrophobicContact CB-CZ3 3.78Å; F62-W87 HydrophobicContact CD1-CE3 4.31Å; F62-W87 HydrophobicContact CD2-CB 3.91Å; F62-W87 HydrophobicContact CD2-CD2 4.09Å; F62-W87 AromaticContact CD2-CE3 3.69Å; F62-W87 HydrophobicContact CD2-CE3 3.69Å; F62-W87 HydrophobicContact CD2-CG 4.19Å; F62-W87 HydrophobicContact CE2-CB 3.95Å; F62-W87 HydrophobicContact CE2-CE3 4.44Å; F62-W87 HydrophobicContact CG-CD2 4.39Å; F62-W87 AromaticContact CG-CE3 3.61Å; F62-W87 HydrophobicContact CG-CE3 3.61Å; F62-W87 HydrophobicContact CG-CZ3 4.07Å; F62-L90 HydrophobicContact CE1-CB 4Å; F62-L90 HydrophobicContact CE2-CB 4.49Å; F62-L90 HydrophobicContact CZ-CB 3.95Å; F62-A91 HydrophobicContact CE2-CB 4.44Å; F62-A91 HydrophobicContact CZ-CB 4.13Å; F62-W101 HydrophobicContact CD1-CH2 4.46Å; F62-W101 AromaticContact CD1-CZ2 3.78Å; F62-W101 HydrophobicContact CD1-CZ2 3.78Å; F62-W101 AromaticContact CE1-CE2 3.96Å; F62-W101 AromaticContact CE1-CZ2 3.6Å; F62-W101 HydrophobicContact CE1-CZ2 3.6Å; F62-W101 AromaticContact CE1-NE1 3.91Å
63A88.9Confident85.5Confident0 Ų052.1 Ų52.10%024%0.237CC..Hα-helixtrans-56.8-49.217900000112.1L59 E60 E61 E67 W101 F105 L108L59-A63 WeakPolarHBondContact O-CB 3.48Å; L59-A63 PolarHBondContact O-N 3.05Å; E60-A63 WeakPolarHBondContact O-CB 3.23Å; E60-A63 PolarHBondContact O-N 3.08Å; E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 3.4Å; A63-E67 PolarHBondContact O-N 3.03Å; A63-E67 VanDerWaalsContact O-N 3.08Å; A63-W101 HydrophobicContact CB-CB 3.7Å; A63-W101 HydrophobicContact CB-CD2 3.47Å; A63-W101 VanDerWaalsContact CB-CD2 3.47Å; A63-W101 HydrophobicContact CB-CE3 3.71Å; A63-W101 HydrophobicContact CB-CG 3.47Å; A63-W101 VanDerWaalsContact CB-CG 3.47Å; A63-F105 HydrophobicContact CB-CD2 4Å; A63-F105 HydrophobicContact CB-CE2 4.02Å; A63-L108 HydrophobicContact CB-CD1 4.47Å; A63-L108 HydrophobicContact CB-CD2 4.06Å
64M85.6Confident84Confident36 Ų3648.8 Ų48.818%0.17724%0.238CC..Hα-helixtrans-60.1-53.2176.6-68.9172.270.300111.8E60 E61 F62 Y66 E67 E68 L108E60-M64 WeakPolarHBondContact O-CG 3.44Å; E60-M64 PolarHBondContact O-N 2.74Å; E61-M64 PolarHBondContact O-N 3.31Å; F62-M64 PolarHBondContact O-N 2.93Å; M64-Y66 VanDerWaalsContact C-N 3.28Å; M64-Y66 PolarHBondContact O-N 3.29Å; M64-E67 PolarHBondContact O-N 3.35Å; M64-E68 WeakPolarHBondContact O-CG 3.43Å; M64-E68 PolarHBondContact O-N 3Å; M64-L108 VanDerWaalsContact CE-O 3.23Å; M64-L108 WeakPolarHBondContact CE-O 3.44Å; M64-L108 HydrophobicContact CG-CB 3.82Å; M64-L108 HydrophobicContact CG-CD1 4.39Å; M64-L108 HydrophobicContact CG-CD2 4.13Å; M64-L108 HydrophobicContact CG-CG 4.34Å; M64-L108 HydrophobicContact SD-CB 4.38Å
65S85.6Confident82.9Confident17 Ų1753.5 Ų53.512%0.11926%0.263CS..Hα-helixtrans-64.2-35.5-176.1-62.30000111.8E61 F62 E68 S69E61-S65 VanDerWaalsContact O-CB 3.31Å; E61-S65 WeakPolarHBondContact O-CB 3.33Å; E61-S65 PolarHBondContact O-N 2.69Å; E61-S65 PolarHBondContact O-OG 2.88Å; F62-S65 PolarHBondContact O-N 3.24Å; S65-E68 PolarHBondContact O-N 2.69Å; S65-S69 VanDerWaalsContact O-CB 3.31Å; S65-S69 WeakPolarHBondContact O-CB 3.45Å; S65-S69 PolarHBondContact O-N 3.26Å
66Y87.4Confident82.2Confident13 Ų1353.7 Ų53.75%0.05126%0.264CS..Hα-helixtrans-65.7-48.7175.3-167-86.6000110.9F62 M64 E68 S69 L70 F78 M79 A91 T94F62-Y66 HydrophobicContact CE1-CD2 4.34Å; F62-Y66 HydrophobicContact CE1-CG 4.42Å; F62-Y66 HydrophobicContact CE2-CD2 4.24Å; F62-Y66 AromaticContact CZ-CD2 3.72Å; F62-Y66 HydrophobicContact CZ-CD2 3.72Å; F62-Y66 HydrophobicContact CZ-CE2 4.4Å; F62-Y66 HydrophobicContact CZ-CG 4.23Å; F62-Y66 WeakPolarHBondContact O-CB 3.39Å; F62-Y66 PolarHBondContact O-N 3.01Å; M64-Y66 VanDerWaalsContact C-N 3.28Å; M64-Y66 PolarHBondContact O-N 3.29Å; Y66-E68 VanDerWaalsContact C-N 3.3Å; Y66-E68 PolarHBondContact O-N 3.5Å; Y66-S69 PolarHBondContact O-N 3.46Å; Y66-S69 VanDerWaalsContact O-N 3.16Å; Y66-S69 PolarHBondContact O-OG 2.94Å; Y66-L70 HydrophobicContact CD1-CD1 4.14Å; Y66-L70 HydrophobicContact CD1-CG 4.27Å; Y66-L70 HydrophobicContact CE1-CD1 3.9Å; Y66-L70 HydrophobicContact CE1-CD2 4.11Å; Y66-L70 HydrophobicContact CE1-CG 4.08Å; Y66-L70 WeakPolarHBondContact O-CG 3.27Å; Y66-L70 PolarHBondContact O-N 3.41Å; Y66-L70 VanDerWaalsContact O-N 3.13Å; Y66-F78 HydrophobicContact CD2-CE1 4.35Å; Y66-M79 HydrophobicContact CD2-SD 4.09Å; Y66-M79 HydrophobicContact CE2-CE 4.16Å; Y66-M79 HydrophobicContact CE2-SD 3.95Å; Y66-A91 HydrophobicContact CD2-CB 4.41Å; Y66-A91 HydrophobicContact CE2-CB 3.82Å; Y66-T94 HydrophobicContact CD1-CG2 3.67Å; Y66-T94 HydrophobicContact CE1-CG2 3.3Å; Y66-T94 HydrophobicContact CG-CG2 4.49Å
67E84.5Confident81.7Confident37 Ų3751.6 Ų51.617%0.17326%0.261CS..Hα-helixtrans-60-37.8175.7-78-168.1-169.500113.2A63 M64 R102A63-E67 PolarHBondContact O-N 3.03Å; A63-E67 VanDerWaalsContact O-N 3.08Å; M64-E67 PolarHBondContact O-N 3.35Å; E67-R102 WeakPolarHBondContact OE1-CG 3.49Å; E67-R102 IonicContact OE1-NE 2.85Å; E67-R102 IonicContact OE2-CZ 2.74Å; E67-R102 IonicContact OE2-NE 2.69Å; E67-R102 PolarHBondContact OE2-NE 3.32Å; E67-R102 IonicContact OE2-NH2 3.72Å; E67-R102 PolarHBondContact OE2-NH2 3.43Å
68E83.3Confident81.5Confident94 Ų9452.5 Ų52.544%0.43927%0.265SS..Hα-helixtrans-66.7-43.6174.6-72.9-179.7178.100111.2M64 S65 Y66 L70 K71M64-E68 WeakPolarHBondContact O-CG 3.43Å; M64-E68 PolarHBondContact O-N 3Å; S65-E68 PolarHBondContact O-N 2.69Å; Y66-E68 VanDerWaalsContact C-N 3.3Å; Y66-E68 PolarHBondContact O-N 3.5Å; E68-L70 VanDerWaalsContact C-N 3.25Å; E68-L70 PolarHBondContact O-N 3.2Å; E68-K71 WeakPolarHBondContact O-CB 3.22Å; E68-K71 PolarHBondContact O-N 3.13Å
69S83.5Confident81.3Confident10 Ų1054.4 Ų54.47%0.0727%0.274CS..Hα-helixtrans-62.9-28.6179.978.20000113.9S65 Y66 K71 E72S65-S69 VanDerWaalsContact O-CB 3.31Å; S65-S69 WeakPolarHBondContact O-CB 3.45Å; S65-S69 PolarHBondContact O-N 3.26Å; Y66-S69 PolarHBondContact O-N 3.46Å; Y66-S69 VanDerWaalsContact O-N 3.16Å; Y66-S69 PolarHBondContact O-OG 2.94Å; S69-K71 PolarHBondContact O-N 2.86Å; S69-E72 PolarHBondContact O-N 3.12Å
70L81.3Confident81.1Confident121 Ų12161.5 Ų61.563%0.63430%0.301SS*.THydrogen-bonded Turntrans-69.2-20.4175.2-67.6179.5000113.1Y66 E68Y66-L70 HydrophobicContact CD1-CD1 4.14Å; Y66-L70 HydrophobicContact CD1-CG 4.27Å; Y66-L70 HydrophobicContact CE1-CD1 3.9Å; Y66-L70 HydrophobicContact CE1-CD2 4.11Å; Y66-L70 HydrophobicContact CE1-CG 4.08Å; Y66-L70 WeakPolarHBondContact O-CG 3.27Å; Y66-L70 PolarHBondContact O-N 3.41Å; Y66-L70 VanDerWaalsContact O-N 3.13Å; E68-L70 VanDerWaalsContact C-N 3.25Å; E68-L70 PolarHBondContact O-N 3.2Å
71K79Confident81Confident149 Ų14962.4 Ų62.465%0.64831%0.307SS*.THydrogen-bonded Turntrans-84.9-16.1176.4-59170.2-168.8158.50111.9E68 S69E68-K71 WeakPolarHBondContact O-CB 3.22Å; E68-K71 PolarHBondContact O-N 3.13Å; S69-K71 PolarHBondContact O-N 2.86Å
72E74.4Confident81.1Confident103 Ų10360.9 Ų60.948%0.48130%0.3SS..  trans-82.3126.2176.8-62.7-177.3-174.100109.4S69 S74 S76S69-E72 PolarHBondContact O-N 3.12Å; E72-S74 PolarHBondContact O-N 3.38Å; E72-S76 WeakPolarHBondContact OE2-CB 3.33Å
73E59.7Low81Confident209 Ų20965.9 Ų65.998%0.97732%0.322SS*.SBendtrans-76.3-7.9-177.2-156.7166.1-157.300112.5
74S59.2Low80.8Confident87 Ų8774.9 Ų74.961%0.60836%0.364SS*.SBendtrans-114.9166.8-173.658.70000113E72 S76E72-S74 PolarHBondContact O-N 3.38Å; S74-S76 VanDerWaalsContact C-N 3.31Å; S74-S76 PolarHBondContact O-N 3.4Å
75D68.6Low81Confident98 Ų9874.1 Ų74.152%0.52436%0.362SS..  trans-63.789.3173.3-171.436.9000109.8R80 K83D75-R80 VanDerWaalsContact OD2-CD 3.25Å; D75-R80 WeakPolarHBondContact OD2-CD 3.44Å; D75-R80 VanDerWaalsContact OD2-CG 3.29Å; D75-R80 WeakPolarHBondContact OD2-CG 3.4Å; D75-K83 IonicContact OD1-NZ 3.03Å; D75-K83 PolarHBondContact OD1-NZ 3.34Å
76S77.4Confident81.2Confident6 Ų675.6 Ų75.64%0.04237%0.368CS..  trans-61142.5-176.268.90000110.9E72 S74 F78 M79 R80E72-S76 WeakPolarHBondContact OE2-CB 3.33Å; S74-S76 VanDerWaalsContact C-N 3.31Å; S74-S76 PolarHBondContact O-N 3.4Å; S76-F78 PolarHBondContact O-N 3.01Å; S76-M79 PolarHBondContact O-N 2.9Å; S76-M79 VanDerWaalsContact O-N 3.07Å; S76-M79 WeakPolarHBondContact OG-CB 3.41Å; S76-M79 WeakPolarHBondContact OG-CG 3.43Å; S76-M79 PolarHBondContact OG-N 3.42Å; S76-M79 VanDerWaalsContact OG-N 3.1Å; S76-R80 PolarHBondContact O-N 2.82Å
77V81.5Confident81.3Confident39 Ų3975.3 Ų75.324%0.23637%0.367CS..Hα-helixtrans-55.1-39.6175.7179.90000109.8R80 V81 F158 P160V77-R80 PolarHBondContact O-N 3.18Å; V77-V81 HydrophobicContact CG1-CG2 4.4Å; V77-V81 VanDerWaalsContact O-CG2 3.31Å; V77-V81 WeakPolarHBondContact O-CG2 3.42Å; V77-V81 PolarHBondContact O-N 3.48Å; V77-F158 HydrophobicContact CB-CB 4.43Å; V77-F158 HydrophobicContact CG1-CB 3.67Å; V77-P160 HydrophobicContact CG2-CB 3.74Å; V77-P160 HydrophobicContact CG2-CG 4.46Å
78F85.1Confident81.7Confident30 Ų3076.1 Ų76.113%0.13237%0.371CS..Hα-helixtrans-53.3-56.6173177.2-101.6000112.1F62 Y66 S76 R80 V81 I82F62-F78 HydrophobicContact CD2-CZ 4.06Å; F62-F78 HydrophobicContact CE2-CZ 4.32Å; Y66-F78 HydrophobicContact CD2-CE1 4.35Å; S76-F78 PolarHBondContact O-N 3.01Å; F78-R80 VanDerWaalsContact C-N 3.26Å; F78-R80 PolarHBondContact O-N 2.89Å; F78-V81 PolarHBondContact O-N 3.1Å; F78-V81 VanDerWaalsContact O-N 3.07Å; F78-I82 HydrophobicContact CD1-CG1 4.03Å; F78-I82 HydrophobicContact CD2-CG1 4.16Å; F78-I82 HydrophobicContact CE1-CD1 4.23Å; F78-I82 HydrophobicContact CE1-CG1 3.64Å; F78-I82 HydrophobicContact CE2-CD1 3.76Å; F78-I82 HydrophobicContact CE2-CG1 3.79Å; F78-I82 HydrophobicContact CG-CG1 4.28Å; F78-I82 HydrophobicContact CZ-CD1 3.6Å; F78-I82 HydrophobicContact CZ-CG1 3.52Å; F78-I82 VanDerWaalsContact O-CG1 3.29Å; F78-I82 WeakPolarHBondContact O-CG1 3.2Å; F78-I82 PolarHBondContact O-N 3.31Å
79M85.1Confident82.1Confident43 Ų4375.1 Ų75.121%0.21237%0.366CS..Hα-helixtrans-62.8-32.9-178-74.7-57.7-66.300112.8Y66 S76 I82 K83Y66-M79 HydrophobicContact CD2-SD 4.09Å; Y66-M79 HydrophobicContact CE2-CE 4.16Å; Y66-M79 HydrophobicContact CE2-SD 3.95Å; S76-M79 PolarHBondContact O-N 2.9Å; S76-M79 VanDerWaalsContact O-N 3.07Å; S76-M79 WeakPolarHBondContact OG-CB 3.41Å; S76-M79 WeakPolarHBondContact OG-CG 3.43Å; S76-M79 PolarHBondContact OG-N 3.42Å; S76-M79 VanDerWaalsContact OG-N 3.1Å; M79-I82 PolarHBondContact O-N 3.34Å; M79-K83 VanDerWaalsContact O-CG 3.29Å; M79-K83 WeakPolarHBondContact O-CG 3.5Å; M79-K83 PolarHBondContact O-N 2.75Å; M79-K83 VanDerWaalsContact O-N 3.13Å
80R86.3Confident82.5Confident151 Ų15174.7 Ų74.757%0.5736%0.363SS*.Hα-helixtrans-64.8-43.2173.4-68.9173.460.5-171.2-4.4112.3D75 S76 V77 F78D75-R80 VanDerWaalsContact OD2-CD 3.25Å; D75-R80 WeakPolarHBondContact OD2-CD 3.44Å; D75-R80 VanDerWaalsContact OD2-CG 3.29Å; D75-R80 WeakPolarHBondContact OD2-CG 3.4Å; S76-R80 PolarHBondContact O-N 2.82Å; V77-R80 PolarHBondContact O-N 3.18Å; F78-R80 VanDerWaalsContact C-N 3.26Å; F78-R80 PolarHBondContact O-N 2.89Å
81V87.2Confident83Confident27 Ų2769.1 Ų69.116%0.16433%0.334CS..Hα-helixtrans-67.4-39.9176.6177.50000110.6V77 F78 K83 E84 S85 L122 Y137 F158V77-V81 HydrophobicContact CG1-CG2 4.4Å; V77-V81 VanDerWaalsContact O-CG2 3.31Å; V77-V81 WeakPolarHBondContact O-CG2 3.42Å; V77-V81 PolarHBondContact O-N 3.48Å; F78-V81 PolarHBondContact O-N 3.1Å; F78-V81 VanDerWaalsContact O-N 3.07Å; V81-K83 VanDerWaalsContact C-N 3.33Å; V81-K83 PolarHBondContact O-N 3.04Å; V81-E84 PolarHBondContact O-N 3.4Å; V81-S85 WeakPolarHBondContact O-CB 3.31Å; V81-S85 PolarHBondContact O-N 3.28Å; V81-L122 HydrophobicContact CG1-CD1 3.45Å; V81-L122 VanDerWaalsContact CG1-CD1 3.45Å; V81-L122 HydrophobicContact CG1-CD2 3.83Å; V81-L122 HydrophobicContact CG1-CG 4.08Å; V81-Y137 HydrophobicContact CG1-CD1 4.14Å; V81-Y137 HydrophobicContact CG1-CE1 4.32Å; V81-F158 HydrophobicContact CG1-CE2 4.09Å; V81-F158 HydrophobicContact CG1-CZ 4.2Å; V81-F158 HydrophobicContact CG2-CD2 4.49Å; V81-F158 HydrophobicContact CG2-CG 4.39Å
82I89.3Confident83.7Confident1 Ų164.8 Ų64.81%0.00532%0.318CS..Hα-helixtrans-60.9-41.5179.6-68.9-68.6000111.9F62 F78 M79 E84 S85 W87 A91 L122F62-I82 HydrophobicContact CD2-CD1 3.86Å; F62-I82 HydrophobicContact CE2-CD1 3.87Å; F62-I82 HydrophobicContact CE2-CG2 4.36Å; F78-I82 HydrophobicContact CD1-CG1 4.03Å; F78-I82 HydrophobicContact CD2-CG1 4.16Å; F78-I82 HydrophobicContact CE1-CD1 4.23Å; F78-I82 HydrophobicContact CE1-CG1 3.64Å; F78-I82 HydrophobicContact CE2-CD1 3.76Å; F78-I82 HydrophobicContact CE2-CG1 3.79Å; F78-I82 HydrophobicContact CG-CG1 4.28Å; F78-I82 HydrophobicContact CZ-CD1 3.6Å; F78-I82 HydrophobicContact CZ-CG1 3.52Å; F78-I82 VanDerWaalsContact O-CG1 3.29Å; F78-I82 WeakPolarHBondContact O-CG1 3.2Å; F78-I82 PolarHBondContact O-N 3.31Å; M79-I82 PolarHBondContact O-N 3.34Å; I82-E84 PolarHBondContact O-N 2.95Å; I82-E84 VanDerWaalsContact O-N 3.07Å; I82-S85 WeakPolarHBondContact CA-OG 3.46Å; I82-S85 WeakPolarHBondContact O-CB 3.4Å; I82-S85 PolarHBondContact O-N 3.26Å; I82-S85 PolarHBondContact O-OG 3.13Å; I82-W87 HydrophobicContact CD1-CB 3.64Å; I82-W87 HydrophobicContact CD1-CG 4.26Å; I82-W87 HydrophobicContact CG2-CB 4.41Å; I82-A91 HydrophobicContact CG2-CB 3.79Å; I82-L122 HydrophobicContact CD1-CD2 3.42Å; I82-L122 VanDerWaalsContact CD1-CD2 3.42Å; I82-L122 HydrophobicContact CG1-CD2 4.31Å
83K87.6Confident84.5Confident113 Ų11359.9 Ų59.949%0.49130%0.295SS..Hα-helixtrans-52.6-29.3179.3-78.6168.5-175.2166.60114.8D75 M79 V81D75-K83 IonicContact OD1-NZ 3.03Å; D75-K83 PolarHBondContact OD1-NZ 3.34Å; M79-K83 VanDerWaalsContact O-CG 3.29Å; M79-K83 WeakPolarHBondContact O-CG 3.5Å; M79-K83 PolarHBondContact O-N 2.75Å; M79-K83 VanDerWaalsContact O-N 3.13Å; V81-K83 VanDerWaalsContact C-N 3.33Å; V81-K83 PolarHBondContact O-N 3.04Å
84E86.3Confident85.9Confident189 Ų18950.3 Ų50.388%0.88325%0.251SS*.THydrogen-bonded Turntrans-108.710-179.3-61.5-174.4176.600112.8V81 I82V81-E84 PolarHBondContact O-N 3.4Å; I82-E84 PolarHBondContact O-N 2.95Å; I82-E84 VanDerWaalsContact O-N 3.07Å
85S89.5Confident87.3Confident20 Ų2051.5 Ų51.514%0.1425%0.251CS..SBendtrans-108.5171.8-172.8810000113.5V81 I82 W87 Q88V81-S85 WeakPolarHBondContact O-CB 3.31Å; V81-S85 PolarHBondContact O-N 3.28Å; I82-S85 WeakPolarHBondContact CA-OG 3.46Å; I82-S85 WeakPolarHBondContact O-CB 3.4Å; I82-S85 PolarHBondContact O-N 3.26Å; I82-S85 PolarHBondContact O-OG 3.13Å; S85-W87 PolarHBondContact O-N 3.31Å; S85-W87 VanDerWaalsContact O-N 3.12Å; S85-W87 WeakPolarHBondContact OG-CB 3.47Å; S85-W87 PolarHBondContact OG-N 3.45Å; S85-Q88 PolarHBondContact O-N 3.07Å
86L88.3Confident88.3Confident48 Ų4853.7 Ų53.725%0.25126%0.255SS..THydrogen-bonded Turntrans-55.6-23.9169.1-178.767.8000113.1Y8 R9 V12 P139Y8-L86 HydrophobicContact CD1-CD2 4.27Å; Y8-L86 HydrophobicContact CE1-CD2 3.97Å; R9-L86 HydrophobicContact CB-CD1 4.46Å; R9-L86 HydrophobicContact CB-CD2 4.49Å; R9-L86 HydrophobicContact CG-CD1 4.37Å; R9-L86 HydrophobicContact CG-CD2 4.06Å; V12-L86 HydrophobicContact CB-CD2 3.95Å; V12-L86 HydrophobicContact CB-CG 4.47Å; V12-L86 HydrophobicContact CG1-CD2 3.93Å; V12-L86 HydrophobicContact CG1-CG 4Å; V12-L86 HydrophobicContact CG2-CD2 4.18Å; L86-P139 HydrophobicContact CD2-CG 3.74Å
87W91.2Very high88.8Confident6 Ų655.9 Ų55.92%0.02327%0.269CS..THydrogen-bonded Turntrans-88.3-4.3-173-61.292.1000114Y8 V12 D58 L59 F62 I82 S85 E89 L90 A91Y8-W87 VanDerWaalsContact OH-CZ2 3.27Å; Y8-W87 WeakPolarHBondContact OH-CZ2 3.43Å; V12-W87 HydrophobicContact CG2-CH2 4.45Å; D58-W87 VanDerWaalsContact C-CH2 3.48Å; D58-W87 HydrophobicContact CB-CH2 3.85Å; D58-W87 HydrophobicContact CB-CZ2 3.63Å; D58-W87 WeakPolarHBondContact O-CH2 3.27Å; L59-W87 HydrophobicContact CB-CH2 4.33Å; L59-W87 HydrophobicContact CB-CZ3 4.35Å; L59-W87 HydrophobicContact CD1-CH2 4.47Å; L59-W87 HydrophobicContact CD1-CZ3 3.73Å; F62-W87 HydrophobicContact CB-CD2 4.4Å; F62-W87 HydrophobicContact CB-CE3 3.71Å; F62-W87 HydrophobicContact CB-CH2 4.48Å; F62-W87 HydrophobicContact CB-CZ3 3.78Å; F62-W87 HydrophobicContact CD1-CE3 4.31Å; F62-W87 HydrophobicContact CD2-CB 3.91Å; F62-W87 HydrophobicContact CD2-CD2 4.09Å; F62-W87 AromaticContact CD2-CE3 3.69Å; F62-W87 HydrophobicContact CD2-CE3 3.69Å; F62-W87 HydrophobicContact CD2-CG 4.19Å; F62-W87 HydrophobicContact CE2-CB 3.95Å; F62-W87 HydrophobicContact CE2-CE3 4.44Å; F62-W87 HydrophobicContact CG-CD2 4.39Å; F62-W87 AromaticContact CG-CE3 3.61Å; F62-W87 HydrophobicContact CG-CE3 3.61Å; F62-W87 HydrophobicContact CG-CZ3 4.07Å; I82-W87 HydrophobicContact CD1-CB 3.64Å; I82-W87 HydrophobicContact CD1-CG 4.26Å; I82-W87 HydrophobicContact CG2-CB 4.41Å; S85-W87 PolarHBondContact O-N 3.31Å; S85-W87 VanDerWaalsContact O-N 3.12Å; S85-W87 WeakPolarHBondContact OG-CB 3.47Å; S85-W87 PolarHBondContact OG-N 3.45Å; W87-E89 PolarHBondContact O-N 2.86Å; W87-L90 HydrophobicContact CD2-CD1 4.25Å; W87-L90 HydrophobicContact CE3-CB 4.43Å; W87-L90 HydrophobicContact CE3-CD1 3.17Å; W87-L90 HydrophobicContact CE3-CG 4.38Å; W87-L90 HydrophobicContact CH2-CD1 4.45Å; W87-L90 HydrophobicContact CZ3-CD1 3.29Å; W87-L90 PolarHBondContact O-N 3.07Å; W87-A91 PolarHBondContact O-N 3.1Å
88Q92Very high89Confident55 Ų5562 Ų6226%0.25730%0.295SS..Hα-helixtrans-58-36.4177.9179.454.328.900111.8S85 L90 A91 D92S85-Q88 PolarHBondContact O-N 3.07Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 2.75Å; Q88-A91 PolarHBondContact O-N 3.37Å; Q88-D92 PolarHBondContact NE2-OD1 2.83Å; Q88-D92 PolarHBondContact O-N 3.47Å
89E92.3Very high89.1Confident72 Ų7261.2 Ų61.234%0.33629%0.292SS..Hα-helixtrans-63.2-39.2177.6-170.8173.8-174.600112R20 W87 D92 I93R20-E89 IonicContact CZ-OE1 3.52Å; R20-E89 IonicContact NE-OE1 3.04Å; R20-E89 VanDerWaalsContact NH2-CD 3.35Å; R20-E89 IonicContact NH2-OE1 3.1Å; R20-E89 PolarHBondContact NH2-OE1 3.23Å; W87-E89 PolarHBondContact O-N 2.86Å; E89-D92 PolarHBondContact O-N 2.97Å; E89-I93 HydrophobicContact CG-CD1 4.17Å; E89-I93 VanDerWaalsContact O-CD1 3.31Å; E89-I93 WeakPolarHBondContact O-CD1 3.39Å; E89-I93 WeakPolarHBondContact O-CG1 3.24Å; E89-I93 PolarHBondContact O-N 3.07Å
90L92.1Very high89.2Confident1 Ų164.8 Ų64.81%0.00531%0.308CS..Hα-helixtrans-68.7-41.8176.2-78.2165.2000111.6V12 S16 L19 L59 F62 W87 Q88 D92 I93 T94V12-L90 HydrophobicContact CG1-CD1 4.04Å; S16-L90 WeakPolarHBondContact OG-CD2 3.25Å; S16-L90 VanDerWaalsContact OG-CG 3.24Å; S16-L90 WeakPolarHBondContact OG-CG 3.23Å; L19-L90 HydrophobicContact CD1-CD2 3.57Å; L59-L90 HydrophobicContact CD1-CD1 3.89Å; L59-L90 HydrophobicContact CD1-CD2 4.43Å; F62-L90 HydrophobicContact CE1-CB 4Å; F62-L90 HydrophobicContact CE2-CB 4.49Å; F62-L90 HydrophobicContact CZ-CB 3.95Å; W87-L90 HydrophobicContact CD2-CD1 4.25Å; W87-L90 HydrophobicContact CE3-CB 4.43Å; W87-L90 HydrophobicContact CE3-CD1 3.17Å; W87-L90 HydrophobicContact CE3-CG 4.38Å; W87-L90 HydrophobicContact CH2-CD1 4.45Å; W87-L90 HydrophobicContact CZ3-CD1 3.29Å; W87-L90 PolarHBondContact O-N 3.07Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 2.75Å; L90-D92 VanDerWaalsContact C-N 3.33Å; L90-D92 PolarHBondContact O-N 3.33Å; L90-I93 HydrophobicContact CD2-CD1 4.46Å; L90-I93 PolarHBondContact O-N 3.43Å; L90-I93 VanDerWaalsContact O-N 3.14Å; L90-T94 PolarHBondContact O-N 3.14Å; L90-T94 PolarHBondContact O-OG1 3.06Å; L90-T94 VanDerWaalsContact O-OG1 3.07Å
91A91.4Very high89.3Confident4 Ų457.7 Ų57.73%0.03328%0.281CS..Hα-helixtrans-57.7-45.9173.700000111.7F62 Y66 I82 W87 Q88 I93 T94 D95F62-A91 HydrophobicContact CE2-CB 4.44Å; F62-A91 HydrophobicContact CZ-CB 4.13Å; Y66-A91 HydrophobicContact CD2-CB 4.41Å; Y66-A91 HydrophobicContact CE2-CB 3.82Å; I82-A91 HydrophobicContact CG2-CB 3.79Å; W87-A91 PolarHBondContact O-N 3.1Å; Q88-A91 PolarHBondContact O-N 3.37Å; A91-I93 VanDerWaalsContact C-N 3.3Å; A91-I93 PolarHBondContact O-N 2.81Å; A91-T94 PolarHBondContact O-N 3.44Å; A91-D95 PolarHBondContact O-N 3.46Å
92D92.2Very high89.1Confident58 Ų5864.1 Ų64.131%0.3130%0.303SS..Hα-helixtrans-60.6-38175.7-82.28.1000112.6Q88 E89 L90 K96Q88-D92 PolarHBondContact NE2-OD1 2.83Å; Q88-D92 PolarHBondContact O-N 3.47Å; E89-D92 PolarHBondContact O-N 2.97Å; L90-D92 VanDerWaalsContact C-N 3.33Å; L90-D92 PolarHBondContact O-N 3.33Å; D92-K96 VanDerWaalsContact O-CB 3.27Å; D92-K96 WeakPolarHBondContact O-CB 3.39Å; D92-K96 WeakPolarHBondContact O-CD 3.46Å; D92-K96 WeakPolarHBondContact O-CG 3.32Å; D92-K96 PolarHBondContact O-N 2.9Å; D92-K96 IonicContact OD2-NZ 2.71Å
93I91.1Very high88.8Confident1 Ų171.4 Ų71.41%0.00534%0.337CS..Hα-helixtrans-69.6-45.3177.2-68.6157.7000110.3S16 L19 R20 E89 L90 A91 D95 K96 T97S16-I93 WeakPolarHBondContact O-CD1 3.47Å; L19-I93 HydrophobicContact CB-CG2 4.27Å; R20-I93 HydrophobicContact CB-CD1 3.99Å; R20-I93 HydrophobicContact CB-CG1 4.03Å; R20-I93 HydrophobicContact CG-CG1 4.46Å; E89-I93 HydrophobicContact CG-CD1 4.17Å; E89-I93 VanDerWaalsContact O-CD1 3.31Å; E89-I93 WeakPolarHBondContact O-CD1 3.39Å; E89-I93 WeakPolarHBondContact O-CG1 3.24Å; E89-I93 PolarHBondContact O-N 3.07Å; L90-I93 HydrophobicContact CD2-CD1 4.46Å; L90-I93 PolarHBondContact O-N 3.43Å; L90-I93 VanDerWaalsContact O-N 3.14Å; A91-I93 VanDerWaalsContact C-N 3.3Å; A91-I93 PolarHBondContact O-N 2.81Å; I93-D95 VanDerWaalsContact C-N 3.31Å; I93-D95 PolarHBondContact O-N 2.92Å; I93-K96 PolarHBondContact O-N 3.39Å; I93-T97 HydrophobicContact CG2-CG2 4.18Å; I93-T97 WeakPolarHBondContact O-CB 3.34Å; I93-T97 WeakPolarHBondContact O-CG2 3.47Å; I93-T97 PolarHBondContact O-N 3.47Å; I93-T97 PolarHBondContact O-OG1 3.27Å
94T90Very high88.8Confident8 Ų866.8 Ų66.85%0.04932%0.318CS..Hα-helixtrans-58.4-45.7179.5-62.40000110.7Y66 L90 A91 Q98 L99 W101Y66-T94 HydrophobicContact CD1-CG2 3.67Å; Y66-T94 HydrophobicContact CE1-CG2 3.3Å; Y66-T94 HydrophobicContact CG-CG2 4.49Å; L90-T94 PolarHBondContact O-N 3.14Å; L90-T94 PolarHBondContact O-OG1 3.06Å; L90-T94 VanDerWaalsContact O-OG1 3.07Å; A91-T94 PolarHBondContact O-N 3.44Å; T94-Q98 VanDerWaalsContact O-CA 3.28Å; T94-Q98 WeakPolarHBondContact O-CA 3.37Å; T94-Q98 PolarHBondContact O-N 3.46Å; T94-Q98 VanDerWaalsContact O-N 3.07Å; T94-L99 HydrophobicContact CG2-CB 4.24Å; T94-L99 PolarHBondContact O-N 3.37Å; T94-W101 WeakPolarHBondContact OG1-CZ2 3.23Å; T94-W101 PolarHBondContact OG1-NE1 3.32Å
95D88.2Confident88.6Confident111 Ų11158.2 Ų58.259%0.59428%0.278SS*.Hα-helixtrans-64.6-54.8176.1-175.659.5000112.5A91 I93 T97 Q98A91-D95 PolarHBondContact O-N 3.46Å; I93-D95 VanDerWaalsContact C-N 3.31Å; I93-D95 PolarHBondContact O-N 2.92Å; D95-T97 VanDerWaalsContact C-N 3.35Å; D95-T97 PolarHBondContact O-N 3.47Å; D95-Q98 PolarHBondContact O-N 2.97Å
96K90.3Very high87.7Confident144 Ų14466.9 Ų66.963%0.62632%0.316SS*.Hα-helixtrans-66.6-34-173.5-72170-173.71610113.9D92 I93D92-K96 VanDerWaalsContact O-CB 3.27Å; D92-K96 WeakPolarHBondContact O-CB 3.39Å; D92-K96 WeakPolarHBondContact O-CD 3.46Å; D92-K96 WeakPolarHBondContact O-CG 3.32Å; D92-K96 PolarHBondContact O-N 2.9Å; D92-K96 IonicContact OD2-NZ 2.71Å; I93-K96 PolarHBondContact O-N 3.39Å
97T87.3Confident86.7Confident53 Ų5369.4 Ų69.433%0.32533%0.33SS..Hα-helixtrans-98.3-1.7-178.169.70000113.3I93 D95 L99I93-T97 HydrophobicContact CG2-CG2 4.18Å; I93-T97 WeakPolarHBondContact O-CB 3.34Å; I93-T97 WeakPolarHBondContact O-CG2 3.47Å; I93-T97 PolarHBondContact O-N 3.47Å; I93-T97 PolarHBondContact O-OG1 3.27Å; D95-T97 VanDerWaalsContact C-N 3.35Å; D95-T97 PolarHBondContact O-N 3.47Å; T97-L99 PolarHBondContact O-N 3.24Å
98Q85.5Confident85.3Confident168 Ų16870.3 Ų70.379%0.78534%0.335SS*.THydrogen-bonded Turntrans4949.2-171.2-60.6-177.2-5.800111.1T94 D95 E100T94-Q98 VanDerWaalsContact O-CA 3.28Å; T94-Q98 WeakPolarHBondContact O-CA 3.37Å; T94-Q98 PolarHBondContact O-N 3.46Å; T94-Q98 VanDerWaalsContact O-N 3.07Å; D95-Q98 PolarHBondContact O-N 2.97Å; Q98-E100 PolarHBondContact O-N 2.94Å; Q98-E100 VanDerWaalsContact O-N 3.16Å
99L88.4Confident83.8Confident13 Ų1373.6 Ų73.67%0.06835%0.354CS..  trans-66115.6-176.7-178.557.8000110L19 T94 T97 W101 V104L19-L99 HydrophobicContact CD2-CD2 4.35Å; T94-L99 HydrophobicContact CG2-CB 4.24Å; T94-L99 PolarHBondContact O-N 3.37Å; T97-L99 PolarHBondContact O-N 3.24Å; L99-W101 HydrophobicContact CD2-CD2 4.24Å; L99-W101 HydrophobicContact CD2-CE3 4.29Å; L99-W101 HydrophobicContact CD2-CH2 3.75Å; L99-W101 HydrophobicContact CD2-CZ2 3.68Å; L99-W101 HydrophobicContact CD2-CZ3 4.08Å; L99-W101 HydrophobicContact CG-CD2 4.48Å; L99-W101 PolarHBondContact O-N 2.97Å; L99-V104 HydrophobicContact CD1-CG2 3.55Å; L99-V104 HydrophobicContact CG-CG2 4.16Å
100E87.3Confident82.3Confident117 Ų11773.5 Ų73.555%0.54735%0.354SS..  trans-85.399.4174.6-63.1-163.4-17200110.4Q98 R102 E103 V104Q98-E100 PolarHBondContact O-N 2.94Å; Q98-E100 VanDerWaalsContact O-N 3.16Å; E100-R102 PolarHBondContact O-N 3.17Å; E100-R102 VanDerWaalsContact O-N 3.16Å; E100-E103 HydrophobicContact CB-CB 4.39Å; E100-E103 HydrophobicContact CB-CG 3.9Å; E100-E103 WeakPolarHBondContact O-CB 3.48Å; E100-E103 PolarHBondContact O-N 2.84Å; E100-V104 WeakPolarHBondContact O-CG2 3.39Å; E100-V104 PolarHBondContact O-N 2.85Å
101W87.9Confident80.9Confident2 Ų281.8 Ų81.81%0.00839%0.392CS..Hα-helixtrans-60-27.5-177.2-74.9113.2000114L19 L59 F62 A63 T94 L99 E103 V104 F105L19-W101 HydrophobicContact CD1-CH2 3.95Å; L19-W101 HydrophobicContact CD1-CZ3 4.49Å; L59-W101 HydrophobicContact CD1-CH2 3.61Å; L59-W101 HydrophobicContact CD1-CZ3 3.97Å; L59-W101 HydrophobicContact CD2-CZ3 4.44Å; L59-W101 HydrophobicContact CG-CH2 4.23Å; L59-W101 HydrophobicContact CG-CZ3 4.07Å; F62-W101 HydrophobicContact CD1-CH2 4.46Å; F62-W101 AromaticContact CD1-CZ2 3.78Å; F62-W101 HydrophobicContact CD1-CZ2 3.78Å; F62-W101 AromaticContact CE1-CE2 3.96Å; F62-W101 AromaticContact CE1-CZ2 3.6Å; F62-W101 HydrophobicContact CE1-CZ2 3.6Å; F62-W101 AromaticContact CE1-NE1 3.91Å; A63-W101 HydrophobicContact CB-CB 3.7Å; A63-W101 HydrophobicContact CB-CD2 3.47Å; A63-W101 VanDerWaalsContact CB-CD2 3.47Å; A63-W101 HydrophobicContact CB-CE3 3.71Å; A63-W101 HydrophobicContact CB-CG 3.47Å; A63-W101 VanDerWaalsContact CB-CG 3.47Å; T94-W101 WeakPolarHBondContact OG1-CZ2 3.23Å; T94-W101 PolarHBondContact OG1-NE1 3.32Å; L99-W101 HydrophobicContact CD2-CD2 4.24Å; L99-W101 HydrophobicContact CD2-CE3 4.29Å; L99-W101 HydrophobicContact CD2-CH2 3.75Å; L99-W101 HydrophobicContact CD2-CZ2 3.68Å; L99-W101 HydrophobicContact CD2-CZ3 4.08Å; L99-W101 HydrophobicContact CG-CD2 4.48Å; L99-W101 PolarHBondContact O-N 2.97Å; W101-E103 VanDerWaalsContact C-N 3.3Å; W101-E103 PolarHBondContact O-N 3.12Å; W101-V104 HydrophobicContact CE3-CB 4.13Å; W101-V104 HydrophobicContact CE3-CG1 3.96Å; W101-V104 HydrophobicContact CE3-CG2 4.47Å; W101-V104 HydrophobicContact CZ3-CG1 4.03Å; W101-V104 WeakPolarHBondContact O-CB 3.3Å; W101-V104 PolarHBondContact O-N 2.73Å; W101-V104 VanDerWaalsContact O-N 3.16Å; W101-F105 AromaticContact CE3-CD2 3.77Å; W101-F105 HydrophobicContact CE3-CD2 3.77Å; W101-F105 AromaticContact CE3-CE2 3.57Å; W101-F105 HydrophobicContact CE3-CE2 3.57Å; W101-F105 HydrophobicContact CZ3-CD2 4.32Å; W101-F105 AromaticContact CZ3-CE2 3.67Å; W101-F105 HydrophobicContact CZ3-CE2 3.67Å; W101-F105 PolarHBondContact O-N 3.08Å
102R83Confident80.2Confident163 Ų16382.3 Ų82.362%0.61540%0.397SS*.Hα-helixtrans-65.4-27.2172.1-73.5169.3-166.7-165.50.3114.7E67 E100 V104 F105E67-R102 WeakPolarHBondContact OE1-CG 3.49Å; E67-R102 IonicContact OE1-NE 2.85Å; E67-R102 IonicContact OE2-CZ 2.74Å; E67-R102 IonicContact OE2-NE 2.69Å; E67-R102 PolarHBondContact OE2-NE 3.32Å; E67-R102 IonicContact OE2-NH2 3.72Å; E67-R102 PolarHBondContact OE2-NH2 3.43Å; E100-R102 PolarHBondContact O-N 3.17Å; E100-R102 VanDerWaalsContact O-N 3.16Å; R102-V104 VanDerWaalsContact C-N 3.34Å; R102-F105 VanDerWaalsContact O-O 3.12Å
103E84Confident80.1Confident153 Ų15382.1 Ų82.172%0.71540%0.398SS*.Hα-helixtrans-79-27.6173.5-61.2-167.7148.300111.1E100 W101E100-E103 HydrophobicContact CB-CB 4.39Å; E100-E103 HydrophobicContact CB-CG 3.9Å; E100-E103 WeakPolarHBondContact O-CB 3.48Å; E100-E103 PolarHBondContact O-N 2.84Å; W101-E103 VanDerWaalsContact C-N 3.3Å; W101-E103 PolarHBondContact O-N 3.12Å
104V85.6Confident80.2Confident17 Ų1782.2 Ų82.210%0.10340%0.399CS..Hα-helixtrans-81.1-42.2-178.5178.90000111.5I26 L99 E100 W101 R102I26-V104 HydrophobicContact CB-CG1 4.5Å; I26-V104 HydrophobicContact CD1-CG1 3.64Å; I26-V104 HydrophobicContact CG1-CG1 3.15Å; L99-V104 HydrophobicContact CD1-CG2 3.55Å; L99-V104 HydrophobicContact CG-CG2 4.16Å; E100-V104 WeakPolarHBondContact O-CG2 3.39Å; E100-V104 PolarHBondContact O-N 2.85Å; W101-V104 HydrophobicContact CE3-CB 4.13Å; W101-V104 HydrophobicContact CE3-CG1 3.96Å; W101-V104 HydrophobicContact CE3-CG2 4.47Å; W101-V104 HydrophobicContact CZ3-CG1 4.03Å; W101-V104 WeakPolarHBondContact O-CB 3.3Å; W101-V104 PolarHBondContact O-N 2.73Å; W101-V104 VanDerWaalsContact O-N 3.16Å; R102-V104 VanDerWaalsContact C-N 3.34Å
105F83.5Confident80.4Confident8 Ų885.6 Ų85.64%0.03541%0.414CS..  trans-115.1115.9178.9-70.2-68.8000110.4I26 L59 E60 A63 W101 R102 D107 L108I26-F105 HydrophobicContact CB-CE1 4.25Å; I26-F105 HydrophobicContact CG1-CE1 4.17Å; I26-F105 HydrophobicContact CG1-CZ 4.09Å; I26-F105 HydrophobicContact CG2-CE1 3.86Å; I26-F105 HydrophobicContact CG2-CZ 4.09Å; L59-F105 HydrophobicContact CB-CZ 4.04Å; L59-F105 HydrophobicContact CD2-CE2 4.35Å; L59-F105 HydrophobicContact CD2-CZ 3.78Å; L59-F105 HydrophobicContact CG-CE2 3.94Å; L59-F105 HydrophobicContact CG-CZ 3.65Å; E60-F105 HydrophobicContact CG-CD1 3.63Å; E60-F105 HydrophobicContact CG-CD2 4.44Å; E60-F105 HydrophobicContact CG-CE1 3.39Å; E60-F105 HydrophobicContact CG-CE2 4.21Å; E60-F105 HydrophobicContact CG-CG 4.16Å; E60-F105 HydrophobicContact CG-CZ 3.69Å; A63-F105 HydrophobicContact CB-CD2 4Å; A63-F105 HydrophobicContact CB-CE2 4.02Å; W101-F105 AromaticContact CE3-CD2 3.77Å; W101-F105 HydrophobicContact CE3-CD2 3.77Å; W101-F105 AromaticContact CE3-CE2 3.57Å; W101-F105 HydrophobicContact CE3-CE2 3.57Å; W101-F105 HydrophobicContact CZ3-CD2 4.32Å; W101-F105 AromaticContact CZ3-CE2 3.67Å; W101-F105 HydrophobicContact CZ3-CE2 3.67Å; W101-F105 PolarHBondContact O-N 3.08Å; R102-F105 VanDerWaalsContact O-O 3.12Å; F105-D107 VanDerWaalsContact C-N 3.28Å; F105-D107 PolarHBondContact O-N 3.29Å; F105-L108 HydrophobicContact CB-CD1 4.42Å; F105-L108 HydrophobicContact CB-CD2 3.42Å; F105-L108 VanDerWaalsContact CB-CD2 3.42Å; F105-L108 HydrophobicContact CB-CG 3.7Å; F105-L108 HydrophobicContact CD2-CD2 3.67Å; F105-L108 HydrophobicContact CG-CD2 3.67Å; F105-L108 HydrophobicContact CG-CG 4.47Å
106Q70.6Confident80.7Confident203 Ų20382 Ų8295%0.94940%0.398SS*.SBendtrans-70.1-24.8-179.4-65.5-177.6-1.700113.2
107D67.2Low80.8Confident101 Ų10177.4 Ų77.454%0.5439%0.391SS..  trans-141.9109.2177.1-172.35.7000109.8F105 N109F105-D107 VanDerWaalsContact C-N 3.28Å; F105-D107 PolarHBondContact O-N 3.29Å; D107-N109 VanDerWaalsContact OD1-CB 3.3Å; D107-N109 WeakPolarHBondContact OD1-CB 3.44Å; D107-N109 PolarHBondContact OD1-N 3.1Å; D107-N109 VanDerWaalsContact OD1-N 3.09Å; D107-N109 PolarHBondContact OD1-ND2 3.32Å
108L62.6Low81.1Confident25 Ų2576 Ų7613%0.13138%0.381CS..  trans-98.530.6176.5-74175.6000111.9E60 A63 M64 F105E60-L108 HydrophobicContact CB-CD2 4.17Å; E60-L108 HydrophobicContact CG-CD2 4.3Å; A63-L108 HydrophobicContact CB-CD1 4.47Å; A63-L108 HydrophobicContact CB-CD2 4.06Å; M64-L108 VanDerWaalsContact CE-O 3.23Å; M64-L108 WeakPolarHBondContact CE-O 3.44Å; M64-L108 HydrophobicContact CG-CB 3.82Å; M64-L108 HydrophobicContact CG-CD1 4.39Å; M64-L108 HydrophobicContact CG-CD2 4.13Å; M64-L108 HydrophobicContact CG-CG 4.34Å; M64-L108 HydrophobicContact SD-CB 4.38Å; F105-L108 HydrophobicContact CB-CD1 4.42Å; F105-L108 HydrophobicContact CB-CD2 3.42Å; F105-L108 VanDerWaalsContact CB-CD2 3.42Å; F105-L108 HydrophobicContact CB-CG 3.7Å; F105-L108 HydrophobicContact CD2-CD2 3.67Å; F105-L108 HydrophobicContact CG-CD2 3.67Å; F105-L108 HydrophobicContact CG-CG 4.47Å
109N58.8Low81.5Confident123 Ų12368.2 Ų68.266%0.65834%0.344SS*.  trans-99.441179.3-66.8-62.2000114.1D107 H111D107-N109 VanDerWaalsContact OD1-CB 3.3Å; D107-N109 WeakPolarHBondContact OD1-CB 3.44Å; D107-N109 PolarHBondContact OD1-N 3.1Å; D107-N109 VanDerWaalsContact OD1-N 3.09Å; D107-N109 PolarHBondContact OD1-ND2 3.32Å; N109-H111 PolarHBondContact O-N 2.6Å; N109-H111 VanDerWaalsContact O-N 3.13Å
110H60.7Low81.7Confident70 Ų7067.7 Ų67.732%0.32434%0.341SS..  trans-8785.6-175.4-154.277.6000113.7R57 E60 G112R57-H110 WeakPolarHBondContact CD-NE2 3.2Å; E60-H110 IonicContact OE2-CG 3.27Å; H110-G112 VanDerWaalsContact C-N 3.32Å; H110-G112 PolarHBondContact O-N 3.09Å
111H63.2Low81.8Confident176 Ų17662.1 Ų62.182%0.81532%0.315SS*.  trans-85.275.4161.8-64.4116.7000110.2N109N109-H111 PolarHBondContact O-N 2.6Å; N109-H111 VanDerWaalsContact O-N 3.13Å
112G77.3Confident81.8Confident14 Ų1462.7 Ų62.714%0.14432%0.319CS..PPolyproline II helixtrans-81.4142.4177.700000112.9H110 Y114H110-G112 VanDerWaalsContact C-N 3.32Å; H110-G112 PolarHBondContact O-N 3.09Å; G112-Y114 WeakPolarHBondContact O-CD2 3.33Å; G112-Y114 WeakPolarHBondContact O-CE2 3.29Å
113V89.6Confident82Confident54 Ų5455.1 Ų55.133%0.32729%0.291SS..EExtended strand (participates in β ladder)trans-80132.2163.5179.80000108.5Q152V113-Q152 HydrophobicContact CG1-CB 3.73Å; V113-Q152 HydrophobicContact CG1-CG 3.88Å
114Y92.9Very high82.4Confident4 Ų448.4 Ų48.42%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-97.5141176.2-68-98.1000109.8G112 E118 V120 L125 Q152 F153 R155G112-Y114 WeakPolarHBondContact O-CD2 3.33Å; G112-Y114 WeakPolarHBondContact O-CE2 3.29Å; Y114-E118 WeakPolarHBondContact CA-OE1 3.31Å; Y114-E118 WeakPolarHBondContact CB-OE1 3.25Å; Y114-E118 WeakPolarHBondContact CD1-OE1 3.29Å; Y114-V120 HydrophobicContact CD1-CG1 4.23Å; Y114-V120 HydrophobicContact CD1-CG2 3.86Å; Y114-V120 HydrophobicContact CE1-CG1 4.19Å; Y114-V120 HydrophobicContact CE1-CG2 4.46Å; Y114-L125 HydrophobicContact CD1-CD2 4.48Å; Y114-L125 HydrophobicContact CD2-CD2 4.07Å; Y114-L125 HydrophobicContact CE2-CD2 4.45Å; Y114-L125 HydrophobicContact CG-CD2 4.1Å; Y114-Q152 CarbonylContact O-C 3.57Å; Y114-Q152 VanDerWaalsContact O-CA 3.29Å; Y114-Q152 WeakPolarHBondContact O-CA 3.29Å; Y114-F153 PolarHBondContact N-O 3.25Å; Y114-F153 PolarHBondContact O-N 2.65Å; Y114-R155 HydrophobicContact CD2-CB 4.35Å; Y114-R155 HydrophobicContact CE2-CB 3.7Å; Y114-R155 PolarHBondContact OH-NH1 3.38Å; Y114-R155 VanDerWaalsContact OH-NH1 3.08Å
115H94.8Very high82.8Confident79 Ų7947.6 Ų47.637%0.36626%0.256SS..EExtended strand (participates in β ladder)trans-120138.4-176.7-64.7-88.9000111.5G117 E118 D151H115-G117 PolarHBondContact O-N 3.09Å; H115-E118 PolarHBondContact N-OE1 3.4Å; H115-E118 WeakPolarHBondContact O-CG 3.22Å; H115-E118 PolarHBondContact O-N 3.2Å; H115-D151 CarbonylContact C-O 3.54Å; H115-D151 VanDerWaalsContact CA-O 3.24Å; H115-D151 WeakPolarHBondContact CA-O 3.49Å; H115-D151 IonicContact ND1-OD2 3.83Å
116S94.7Very high83.3Confident36 Ų3647.4 Ų47.425%0.25226%0.255SS..THydrogen-bonded Turntrans-53.2138.2170.164.40000111.3L142 L144 D151S116-L142 CarbonylContact C-O 3.45Å; S116-L142 VanDerWaalsContact CA-O 3.25Å; S116-L142 WeakPolarHBondContact CA-O 3.27Å; S116-L144 WeakPolarHBondContact OG-CD2 3.43Å; S116-D151 PolarHBondContact N-O 3.37Å; S116-D151 WeakPolarHBondContact OG-CB 3.31Å
117G92.8Very high84.6Confident47 Ų4737.8 Ų37.849%0.48521%0.21SC..THydrogen-bonded Turntrans103.1-24.3-176.600000113.5H115 V141 L142H115-G117 PolarHBondContact O-N 3.09Å; G117-V141 WeakPolarHBondContact O-CG1 3.19Å; G117-L142 PolarHBondContact N-O 3.44Å
118E92.9Very high86Confident24 Ų2436.6 Ų36.611%0.11220%0.201CC..SBendtrans-80.1153.7174.982.8-164.3159.400111.7R57 Y114 H115 V120 V141 L142R57-E118 IonicContact CZ-OE2 3.93Å; R57-E118 IonicContact NH1-OE1 3.34Å; R57-E118 IonicContact NH1-OE2 3.31Å; R57-E118 PolarHBondContact NH1-OE2 2.83Å; R57-E118 IonicContact NH2-OE1 2.75Å; R57-E118 IonicContact NH2-OE2 3.48Å; R57-E118 PolarHBondContact NH2-OE2 2.71Å; Y114-E118 WeakPolarHBondContact CA-OE1 3.31Å; Y114-E118 WeakPolarHBondContact CB-OE1 3.25Å; Y114-E118 WeakPolarHBondContact CD1-OE1 3.29Å; H115-E118 PolarHBondContact N-OE1 3.4Å; H115-E118 WeakPolarHBondContact O-CG 3.22Å; H115-E118 PolarHBondContact O-N 3.2Å; E118-V120 HydrophobicContact CG-CG2 3.75Å; E118-V141 WeakPolarHBondContact O-CA 3.41Å; E118-L142 PolarHBondContact O-N 3.16Å
119V93.8Very high87.7Confident4 Ų442.2 Ų42.22%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-77135.1169.4640000109.5V4 Y8 L51 A54 E140 V141V4-V119 HydrophobicContact CG1-CB 3.83Å; V4-V119 HydrophobicContact CG1-CG1 3.79Å; V4-V119 HydrophobicContact CG1-CG2 4.49Å; Y8-V119 HydrophobicContact CD2-CB 4.45Å; Y8-V119 HydrophobicContact CD2-CG1 3.79Å; Y8-V119 HydrophobicContact CD2-CG2 3.78Å; Y8-V119 HydrophobicContact CG-CG2 3.97Å; L51-V119 HydrophobicContact CD1-CG1 4.08Å; A54-V119 HydrophobicContact CB-CG1 3.59Å; A54-V119 WeakPolarHBondContact CB-O 3.17Å; V119-E140 WeakPolarHBondContact CA-O 3.01Å; V119-V141 HydrophobicContact CB-CG2 4.44Å
120V92.7Very high89.6Confident1 Ų137.7 Ų37.71%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-130.1134.4176.4-172.20000108.8Y114 E118 L125 P139 E140 L142Y114-V120 HydrophobicContact CD1-CG1 4.23Å; Y114-V120 HydrophobicContact CD1-CG2 3.86Å; Y114-V120 HydrophobicContact CE1-CG1 4.19Å; Y114-V120 HydrophobicContact CE1-CG2 4.46Å; E118-V120 HydrophobicContact CG-CG2 3.75Å; V120-L125 HydrophobicContact CG1-CD1 4.15Å; V120-L125 HydrophobicContact CG2-CD1 4.39Å; V120-P139 WeakPolarHBondContact O-CA 3.21Å; V120-E140 PolarHBondContact N-O 3.39Å; V120-E140 PolarHBondContact O-N 3.16Å; V120-E140 VanDerWaalsContact O-N 3.12Å; V120-L142 HydrophobicContact CG2-CB 4.04Å; V120-L142 HydrophobicContact CG2-CD2 4.16Å
121G89Confident91.3Very high0 Ų040.3 Ų40.30%021%0.214CC..  trans-79.9-149.4171.200000112.5D58 I136D58-G121 WeakPolarHBondContact OD2-CA 3.34Å; D58-G121 PolarHBondContact OD2-N 2.89Å; G121-I136 WeakPolarHBondContact O-CG2 3.45Å
122L87.6Confident92.8Very high15 Ų1535.2 Ų35.28%0.07919%0.19CC..SBendtrans-68.9132.4-174.5-177.675.6000111.2V81 I82 I136 Y137 F158V81-L122 HydrophobicContact CG1-CD1 3.45Å; V81-L122 VanDerWaalsContact CG1-CD1 3.45Å; V81-L122 HydrophobicContact CG1-CD2 3.83Å; V81-L122 HydrophobicContact CG1-CG 4.08Å; I82-L122 HydrophobicContact CD1-CD2 3.42Å; I82-L122 VanDerWaalsContact CD1-CD2 3.42Å; I82-L122 HydrophobicContact CG1-CD2 4.31Å; L122-I136 WeakPolarHBondContact CA-O 3.41Å; L122-I136 WeakPolarHBondContact CD1-O 3.45Å; L122-Y137 HydrophobicContact CD1-CD1 4.39Å; L122-F158 HydrophobicContact CD1-CE2 4.4Å; L122-F158 HydrophobicContact CD1-CZ 4.24Å; L122-F158 HydrophobicContact CG-CE2 4.12Å; L122-F158 HydrophobicContact CG-CZ 4.38Å
123G88.5Confident93.7Very high4 Ų438.7 Ų38.74%0.04120%0.202CC..EExtended strand (participates in β ladder)trans167.7165.3171.500000114.4I136G123-I136 PolarHBondContact N-O 3.32Å; G123-I136 PolarHBondContact O-N 3.07Å
124N91Very high93.9Very high12 Ų1237.5 Ų37.56%0.06419%0.194CC..EExtended strand (participates in β ladder)trans-96.6105.8171.4-174.721.7000109.1H133 R156 P157 F158N124-H133 PolarHBondContact ND2-ND1 2.7Å; N124-R156 WeakPolarHBondContact CB-O 3.5Å; N124-R156 PolarHBondContact O-N 3.16Å; N124-P157 PolarHBondContact ND2-O 3.03Å; N124-F158 HydrophobicContact CB-CD1 3.97Å; N124-F158 HydrophobicContact CB-CE1 4.01Å; N124-F158 HydrophobicContact CB-CG 4.38Å; N124-F158 HydrophobicContact CB-CZ 4.47Å
125L93.9Very high93.8Very high0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-91.4131.6179.1-65.5-175.2000110.6Y114 V120 H133 L134 I136 L142 F153 Q154 R155Y114-L125 HydrophobicContact CD1-CD2 4.48Å; Y114-L125 HydrophobicContact CD2-CD2 4.07Å; Y114-L125 HydrophobicContact CE2-CD2 4.45Å; Y114-L125 HydrophobicContact CG-CD2 4.1Å; V120-L125 HydrophobicContact CG1-CD1 4.15Å; V120-L125 HydrophobicContact CG2-CD1 4.39Å; L125-H133 CarbonylContact O-C 3.54Å; L125-H133 WeakPolarHBondContact O-CA 3.35Å; L125-L134 HydrophobicContact CB-CB 4.41Å; L125-L134 PolarHBondContact N-O 3.02Å; L125-L134 PolarHBondContact O-N 2.92Å; L125-I136 HydrophobicContact CD1-CG1 3.99Å; L125-I136 HydrophobicContact CG-CG1 4.17Å; L125-L142 HydrophobicContact CD1-CD1 3.5Å; L125-L142 VanDerWaalsContact CD1-CD1 3.5Å; L125-L142 HydrophobicContact CD1-CD2 3.68Å; L125-L142 HydrophobicContact CD1-CG 4.22Å; L125-F153 HydrophobicContact CB-CB 4.13Å; L125-F153 HydrophobicContact CB-CD1 4.19Å; L125-F153 HydrophobicContact CB-CG 4.44Å; L125-Q154 CarbonylContact C-O 3.49Å; L125-Q154 WeakPolarHBondContact CA-O 3.38Å; L125-R155 HydrophobicContact CD2-CB 3.95Å; L125-R155 HydrophobicContact CD2-CG 4.31Å
126V95.5Very high93.7Very high4 Ų436.2 Ų36.22%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-114.6120.5180-176.40000108.9E128 H131 F132 H133 F153 Q154 R156V126-E128 PolarHBondContact O-N 3.43Å; V126-H131 HydrophobicContact CG1-CB 4.31Å; V126-F132 WeakPolarHBondContact CA-O 3.38Å; V126-H133 VanDerWaalsContact CG2-CE1 3.5Å; V126-H133 WeakPolarHBondContact CG2-CE1 3.23Å; V126-H133 WeakPolarHBondContact CG2-ND1 3.3Å; V126-F153 CarbonylContact O-C 3.59Å; V126-F153 VanDerWaalsContact O-CA 3.29Å; V126-F153 WeakPolarHBondContact O-CA 3.12Å; V126-Q154 HydrophobicContact CB-CG 3.94Å; V126-Q154 PolarHBondContact N-O 3.31Å; V126-Q154 WeakPolarHBondContact O-CG 3.42Å; V126-Q154 PolarHBondContact O-N 3.49Å; V126-R156 HydrophobicContact CB-CG 4.34Å; V126-R156 HydrophobicContact CG2-CB 4.06Å; V126-R156 HydrophobicContact CG2-CG 3.62Å
127C97.3Very high93.3Very high0 Ų040.8 Ų40.80%021%0.206CC..EExtended strand (participates in β ladder)trans-60.3128.4177.6175.20000111.1K129 C130 H131 F132 C145 C148 F153C127-K129 PolarHBondContact O-N 3.43Å; C127-K129 PolarHBondContact SG-N 3.03Å; C127-C130 VanDerWaalsContact SG-SG 3.68Å; C127-H131 VanDerWaalsContact O-CA 3.26Å; C127-H131 WeakPolarHBondContact O-CA 3.34Å; C127-H131 PolarHBondContact O-N 3.08Å; C127-F132 HydrophobicContact CB-CB 4.31Å; C127-F132 PolarHBondContact N-O 3.37Å; C127-C145 HydrophobicContact CB-CB 4.18Å; C127-C145 VanDerWaalsContact SG-SG 3.65Å; C127-C148 VanDerWaalsContact SG-SG 3.63Å; C127-F153 HydrophobicContact CB-CD1 4.06Å; C127-F153 HydrophobicContact CB-CE1 4.08Å
128E96.7Very high93.1Very high77 Ų7741.8 Ų41.836%0.3620%0.202SC..THydrogen-bonded Turntrans-66.1-23.6-177.5-66-131.9137.500113.4V126 Q152V126-E128 PolarHBondContact O-N 3.43Å; E128-Q152 HydrophobicContact CB-CB 4.4Å; E128-Q152 HydrophobicContact CG-CB 4.16Å; E128-Q152 PolarHBondContact N-O 2.98Å
129K97.7Very high93Very high142 Ų14241 Ų4162%0.61720%0.199SC*.THydrogen-bonded Turntrans-91.9-42.5-176.3-176.8176.4-175.7-179.70114.4C127 H150C127-K129 PolarHBondContact O-N 3.43Å; C127-K129 PolarHBondContact SG-N 3.03Å; K129-H150 HydrophobicContact CB-CB 3.89Å; K129-H150 WeakPolarHBondContact CB-CD2 3.39Å; K129-H150 HydrophobicContact CD-CB 4.04Å
130C98.2Very high93Very high28 Ų2844.8 Ų44.819%0.18922%0.217CC..THydrogen-bonded Turntrans-1222.7-172.174.50000114.3C127 F132 C145 K147 C148C127-C130 VanDerWaalsContact SG-SG 3.68Å; C130-F132 PolarHBondContact O-N 3.23Å; C130-F132 VanDerWaalsContact O-N 3.11Å; C130-F132 VanDerWaalsContact SG-CB 3.57Å; C130-C145 PolarHBondContact SG-SG 3.4Å; C130-K147 HydrophobicContact CB-CD 4.46Å; C130-C148 HydrophobicContact CB-CB 3.93Å; C130-C148 PolarHBondContact SG-SG 3.27Å
131H96.3Very high93Very high125 Ų12546.7 Ų46.758%0.57923%0.228SC*.  trans5526.8-179.6-50.5-62.5000114V126 C127 H133V126-H131 HydrophobicContact CG1-CB 4.31Å; C127-H131 VanDerWaalsContact O-CA 3.26Å; C127-H131 WeakPolarHBondContact O-CA 3.34Å; C127-H131 PolarHBondContact O-N 3.08Å; H131-H133 PolarHBondContact O-CD2 2.95Å; H131-H133 PolarHBondContact O-N 3.35Å
132F96.1Very high93.3Very high69 Ų6946.9 Ų46.930%0.30323%0.229SC..  trans-68.5127.6170.7-179-97.8000109.4V126 C127 C130 L134 P146 K147V126-F132 WeakPolarHBondContact CA-O 3.38Å; C127-F132 HydrophobicContact CB-CB 4.31Å; C127-F132 PolarHBondContact N-O 3.37Å; C130-F132 PolarHBondContact O-N 3.23Å; C130-F132 VanDerWaalsContact O-N 3.11Å; C130-F132 VanDerWaalsContact SG-CB 3.57Å; F132-L134 HydrophobicContact CD1-CB 4.32Å; F132-L134 HydrophobicContact CE1-CB 4.17Å; F132-L134 HydrophobicContact CE1-CD1 4.33Å; F132-P146 HydrophobicContact CD1-CG 3.78Å; F132-P146 HydrophobicContact CE1-CG 3.33Å; F132-P146 HydrophobicContact CZ-CG 3.82Å; F132-K147 HydrophobicContact CB-CB 4.12Å; F132-K147 HydrophobicContact CB-CD 4.13Å; F132-K147 HydrophobicContact CD2-CB 4.13Å; F132-K147 HydrophobicContact CD2-CD 4.08Å; F132-K147 HydrophobicContact CG-CB 4.14Å; F132-K147 HydrophobicContact CG-CD 4.49Å
133H95Very high93.7Very high87 Ų8750.5 Ų50.540%0.40325%0.252SS..EExtended strand (participates in β ladder)trans-86.2125.2174.4-71.3-108.3000109.8N124 L125 V126 H131N124-H133 PolarHBondContact ND2-ND1 2.7Å; L125-H133 CarbonylContact O-C 3.54Å; L125-H133 WeakPolarHBondContact O-CA 3.35Å; V126-H133 VanDerWaalsContact CG2-CE1 3.5Å; V126-H133 WeakPolarHBondContact CG2-CE1 3.23Å; V126-H133 WeakPolarHBondContact CG2-ND1 3.3Å; H131-H133 PolarHBondContact O-CD2 2.95Å; H131-H133 PolarHBondContact O-N 3.35Å
134L94.2Very high94.1Very high30 Ų3054.7 Ų54.716%0.15727%0.273CS..EExtended strand (participates in β ladder)trans-119.896.9178.8179.463.2000107.7L125 F132 I136 L142 F153L125-L134 HydrophobicContact CB-CB 4.41Å; L125-L134 PolarHBondContact N-O 3.02Å; L125-L134 PolarHBondContact O-N 2.92Å; F132-L134 HydrophobicContact CD1-CB 4.32Å; F132-L134 HydrophobicContact CE1-CB 4.17Å; F132-L134 HydrophobicContact CE1-CD1 4.33Å; L134-I136 HydrophobicContact CD2-CD1 4.03Å; L134-I136 HydrophobicContact CG-CD1 3.84Å; L134-I136 PolarHBondContact O-N 3.19Å; L134-L142 HydrophobicContact CD2-CD1 3.66Å; L134-F153 HydrophobicContact CD2-CE1 4.19Å
135P91.8Very high94.5Very high54 Ų5454.3 Ų54.335%0.35127%0.271SS..EExtended strand (participates in β ladder)trans-75124.4176.430.4-33.2000110.2Y137 F158P135-Y137 HydrophobicContact CB-CE2 3.72Å; P135-Y137 HydrophobicContact CG-CE2 4.02Å; P135-F158 HydrophobicContact CB-CE1 4.26Å
136I91.1Very high94.6Very high1 Ų158.5 Ų58.51%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-106.4115.2175.1-50-65.3000107.9G121 L122 G123 L125 L134 T138 E140G121-I136 WeakPolarHBondContact O-CG2 3.45Å; L122-I136 WeakPolarHBondContact CA-O 3.41Å; L122-I136 WeakPolarHBondContact CD1-O 3.45Å; G123-I136 PolarHBondContact N-O 3.32Å; G123-I136 PolarHBondContact O-N 3.07Å; L125-I136 HydrophobicContact CD1-CG1 3.99Å; L125-I136 HydrophobicContact CG-CG1 4.17Å; L134-I136 HydrophobicContact CD2-CD1 4.03Å; L134-I136 HydrophobicContact CG-CD1 3.84Å; L134-I136 PolarHBondContact O-N 3.19Å; I136-T138 WeakPolarHBondContact CG2-O 3.27Å; I136-E140 HydrophobicContact CD1-CG 4.3Å; I136-E140 WeakPolarHBondContact CD1-OE1 3.31Å; I136-E140 HydrophobicContact CG2-CG 3.98Å
137Y86.9Confident94.8Very high132 Ų13265.1 Ų65.152%0.51833%0.327SS..  trans-100.1-22.6-178.7-64.3-70.6000113.4V81 L122 P135 F158V81-Y137 HydrophobicContact CG1-CD1 4.14Å; V81-Y137 HydrophobicContact CG1-CE1 4.32Å; L122-Y137 HydrophobicContact CD1-CD1 4.39Å; P135-Y137 HydrophobicContact CB-CE2 3.72Å; P135-Y137 HydrophobicContact CG-CE2 4.02Å; Y137-F158 HydrophobicContact CE1-CE1 4.09Å
138T88.5Confident94.8Very high68 Ų6867.2 Ų67.242%0.41734%0.341SS..SBendtrans-139.4150.4-178.367.10000110.4I136 E140I136-T138 WeakPolarHBondContact CG2-O 3.27Å; T138-E140 PolarHBondContact O-N 2.81Å; T138-E140 VanDerWaalsContact O-N 3.14Å
139P91.6Very high94.9Very high8 Ų865.7 Ų65.75%0.05235%0.346CS..  trans-53.8121.8178.7-27.534.8000112.5Y8 R9 L86 V120Y8-P139 HydrophobicContact CD1-CB 3.4Å; Y8-P139 HydrophobicContact CD1-CG 3.35Å; Y8-P139 HydrophobicContact CE1-CB 3.89Å; Y8-P139 HydrophobicContact CE1-CG 3.49Å; Y8-P139 VanDerWaalsContact CE1-CG 3.49Å; Y8-P139 HydrophobicContact CG-CB 4.01Å; Y8-P139 HydrophobicContact CG-CG 4.41Å; R9-P139 HydrophobicContact CG-CB 4.41Å; R9-P139 HydrophobicContact CG-CG 3.97Å; L86-P139 HydrophobicContact CD2-CG 3.74Å; V120-P139 WeakPolarHBondContact O-CA 3.21Å
140E93.2Very high94.9Very high84 Ų8461 Ų6139%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-149165178.567-173.8165.700111.1V119 V120 I136 T138V119-E140 WeakPolarHBondContact CA-O 3.01Å; V120-E140 PolarHBondContact N-O 3.39Å; V120-E140 PolarHBondContact O-N 3.16Å; V120-E140 VanDerWaalsContact O-N 3.12Å; I136-E140 HydrophobicContact CD1-CG 4.3Å; I136-E140 WeakPolarHBondContact CD1-OE1 3.31Å; I136-E140 HydrophobicContact CG2-CG 3.98Å; T138-E140 PolarHBondContact O-N 2.81Å; T138-E140 VanDerWaalsContact O-N 3.14Å
141V93.8Very high94.9Very high40 Ų4062.4 Ų62.424%0.24233%0.332CS..EExtended strand (participates in β ladder)trans-85123.5174.51670000109N2 G117 E118 V119 T143N2-V141 WeakPolarHBondContact ND2-CG2 3.32Å; G117-V141 WeakPolarHBondContact O-CG1 3.19Å; E118-V141 WeakPolarHBondContact O-CA 3.41Å; V119-V141 HydrophobicContact CB-CG2 4.44Å; V141-T143 PolarHBondContact O-N 2.96Å
142L94.7Very high94.9Very high5 Ų559.4 Ų59.43%0.02632%0.318CS..PPolyproline II helixtrans-62.7123.3-176.1-175.655.1000110.3S116 G117 E118 V120 L125 L134 F153S116-L142 CarbonylContact C-O 3.45Å; S116-L142 VanDerWaalsContact CA-O 3.25Å; S116-L142 WeakPolarHBondContact CA-O 3.27Å; G117-L142 PolarHBondContact N-O 3.44Å; E118-L142 PolarHBondContact O-N 3.16Å; V120-L142 HydrophobicContact CG2-CB 4.04Å; V120-L142 HydrophobicContact CG2-CD2 4.16Å; L125-L142 HydrophobicContact CD1-CD1 3.5Å; L125-L142 VanDerWaalsContact CD1-CD1 3.5Å; L125-L142 HydrophobicContact CD1-CD2 3.68Å; L125-L142 HydrophobicContact CD1-CG 4.22Å; L134-L142 HydrophobicContact CD2-CD1 3.66Å; L142-F153 HydrophobicContact CD1-CD2 4.38Å; L142-F153 HydrophobicContact CD1-CE2 4.12Å; L142-F153 HydrophobicContact CD1-CZ 4.23Å; L142-F153 HydrophobicContact CD2-CD2 3.54Å; L142-F153 HydrophobicContact CD2-CE2 3.86Å; L142-F153 HydrophobicContact CD2-CG 4.18Å; L142-F153 HydrophobicContact CG-CD2 4.14Å; L142-F153 HydrophobicContact CG-CE2 3.94Å; L142-F153 HydrophobicContact CG-CZ 4.5Å
143T95.5Very high94.9Very high90 Ų9056.1 Ų56.155%0.55230%0.304SS*.PPolyproline II helixtrans-84.7168174.563.20000110.9V141 F153V141-T143 PolarHBondContact O-N 2.96Å; T143-F153 WeakPolarHBondContact O-CZ 3.48Å
144L98Very high94.8Very high93 Ų9354.3 Ų54.349%0.48730%0.296SS..PPolyproline II helixtrans-55.7152.7164.3-65.9172.4000110.4S116 D151S116-L144 WeakPolarHBondContact OG-CD2 3.43Å; L144-D151 HydrophobicContact CD2-CB 3.84Å
145C98.1Very high94.7Very high3 Ų354 Ų542%0.0229%0.292CS..PPolyproline II helixtrans-57.6123178.5173.60000110.1C127 C130 K147 C148 G149 H150 F153C127-C145 HydrophobicContact CB-CB 4.18Å; C127-C145 VanDerWaalsContact SG-SG 3.65Å; C130-C145 PolarHBondContact SG-SG 3.4Å; C145-K147 PolarHBondContact O-N 2.85Å; C145-K147 VanDerWaalsContact O-N 3.12Å; C145-C148 PolarHBondContact O-N 3.31Å; C145-C148 VanDerWaalsContact SG-SG 3.66Å; C145-G149 VanDerWaalsContact O-CA 3.32Å; C145-G149 WeakPolarHBondContact O-CA 3.46Å; C145-G149 PolarHBondContact O-N 3.23Å; C145-H150 HydrophobicContact CB-CB 4.41Å; C145-H150 VanDerWaalsContact CB-O 3.27Å; C145-H150 WeakPolarHBondContact CB-O 3.28Å; C145-H150 PolarHBondContact N-O 2.99Å; C145-F153 HydrophobicContact CB-CE1 4.04Å; C145-F153 HydrophobicContact CB-CZ 3.85Å
146P97.4Very high94.4Very high88 Ų8856.9 Ų56.957%0.57130%0.296SS*.THydrogen-bonded Turntrans-67.6-18.5-174.527.5-35.8000112.8F132F132-P146 HydrophobicContact CD1-CG 3.78Å; F132-P146 HydrophobicContact CE1-CG 3.33Å; F132-P146 HydrophobicContact CZ-CG 3.82Å
147K97.9Very high93.8Very high144 Ų14460.4 Ų60.463%0.62632%0.319SS*.THydrogen-bonded Turntrans-90.5-36.9-178.4-172.2177.8178.4-173.80113.6C130 F132 C145C130-K147 HydrophobicContact CB-CD 4.46Å; F132-K147 HydrophobicContact CB-CB 4.12Å; F132-K147 HydrophobicContact CB-CD 4.13Å; F132-K147 HydrophobicContact CD2-CB 4.13Å; F132-K147 HydrophobicContact CD2-CD 4.08Å; F132-K147 HydrophobicContact CG-CB 4.14Å; F132-K147 HydrophobicContact CG-CD 4.49Å; C145-K147 PolarHBondContact O-N 2.85Å; C145-K147 VanDerWaalsContact O-N 3.12Å
148C98.4Very high93.1Very high44 Ų4455.6 Ų55.630%0.29730%0.301SS..THydrogen-bonded Turntrans-134.1-1.4-172.3740000115.3C127 C130 C145 H150C127-C148 VanDerWaalsContact SG-SG 3.63Å; C130-C148 HydrophobicContact CB-CB 3.93Å; C130-C148 PolarHBondContact SG-SG 3.27Å; C145-C148 PolarHBondContact O-N 3.31Å; C145-C148 VanDerWaalsContact SG-SG 3.66Å; C148-H150 PolarHBondContact O-N 3.37Å; C148-H150 WeakPolarHBondContact SG-CB 3.38Å
149G97.8Very high92.2Very high45 Ų4559.1 Ų59.146%0.46431%0.313SS..  trans69.211.8-178.900000114.9C145C145-G149 VanDerWaalsContact O-CA 3.32Å; C145-G149 WeakPolarHBondContact O-CA 3.46Å; C145-G149 PolarHBondContact O-N 3.23Å
150H98.2Very high90.7Very high42 Ų4267.2 Ų67.219%0.19437%0.365CS..  trans-73.6149.8175.6-167.446.2000111.5K129 C145 C148 Q152K129-H150 HydrophobicContact CB-CB 3.89Å; K129-H150 WeakPolarHBondContact CB-CD2 3.39Å; K129-H150 HydrophobicContact CD-CB 4.04Å; C145-H150 HydrophobicContact CB-CB 4.41Å; C145-H150 VanDerWaalsContact CB-O 3.27Å; C145-H150 WeakPolarHBondContact CB-O 3.28Å; C145-H150 PolarHBondContact N-O 2.99Å; C148-H150 PolarHBondContact O-N 3.37Å; C148-H150 WeakPolarHBondContact SG-CB 3.38Å; H150-Q152 PolarHBondContact CD2-O 3.13Å
151D97.4Very high90.6Very high59 Ų5966.4 Ų66.432%0.31636%0.364SS..  trans-96.9-15.9-174.163.9-39.3000113.5H115 S116 L144 F153H115-D151 CarbonylContact C-O 3.54Å; H115-D151 VanDerWaalsContact CA-O 3.24Å; H115-D151 WeakPolarHBondContact CA-O 3.49Å; H115-D151 IonicContact ND1-OD2 3.83Å; S116-D151 PolarHBondContact N-O 3.37Å; S116-D151 WeakPolarHBondContact OG-CB 3.31Å; L144-D151 HydrophobicContact CD2-CB 3.84Å; D151-F153 WeakPolarHBondContact O-CD2 3.45Å; D151-F153 WeakPolarHBondContact O-CE2 3.48Å
152Q97.6Very high90.4Very high62 Ų6267.7 Ų67.729%0.2937%0.37SS..EExtended strand (participates in β ladder)trans-103.3137.5-174.5-63.5175.26.200113.6V113 Y114 E128 H150V113-Q152 HydrophobicContact CG1-CB 3.73Å; V113-Q152 HydrophobicContact CG1-CG 3.88Å; Y114-Q152 CarbonylContact O-C 3.57Å; Y114-Q152 VanDerWaalsContact O-CA 3.29Å; Y114-Q152 WeakPolarHBondContact O-CA 3.29Å; E128-Q152 HydrophobicContact CB-CB 4.4Å; E128-Q152 HydrophobicContact CG-CB 4.16Å; E128-Q152 PolarHBondContact N-O 2.98Å; H150-Q152 PolarHBondContact CD2-O 3.13Å
153F96.2Very high90.2Very high0 Ų071.2 Ų71.20%039%0.389CS..EExtended strand (participates in β ladder)trans-137.6147.1-179.2-54.5-104.3000110.9Y114 L125 V126 C127 L134 L142 T143 C145 D151Y114-F153 PolarHBondContact N-O 3.25Å; Y114-F153 PolarHBondContact O-N 2.65Å; L125-F153 HydrophobicContact CB-CB 4.13Å; L125-F153 HydrophobicContact CB-CD1 4.19Å; L125-F153 HydrophobicContact CB-CG 4.44Å; V126-F153 CarbonylContact O-C 3.59Å; V126-F153 VanDerWaalsContact O-CA 3.29Å; V126-F153 WeakPolarHBondContact O-CA 3.12Å; C127-F153 HydrophobicContact CB-CD1 4.06Å; C127-F153 HydrophobicContact CB-CE1 4.08Å; L134-F153 HydrophobicContact CD2-CE1 4.19Å; L142-F153 HydrophobicContact CD1-CD2 4.38Å; L142-F153 HydrophobicContact CD1-CE2 4.12Å; L142-F153 HydrophobicContact CD1-CZ 4.23Å; L142-F153 HydrophobicContact CD2-CD2 3.54Å; L142-F153 HydrophobicContact CD2-CE2 3.86Å; L142-F153 HydrophobicContact CD2-CG 4.18Å; L142-F153 HydrophobicContact CG-CD2 4.14Å; L142-F153 HydrophobicContact CG-CE2 3.94Å; L142-F153 HydrophobicContact CG-CZ 4.5Å; T143-F153 WeakPolarHBondContact O-CZ 3.48Å; C145-F153 HydrophobicContact CB-CE1 4.04Å; C145-F153 HydrophobicContact CB-CZ 3.85Å; D151-F153 WeakPolarHBondContact O-CD2 3.45Å; D151-F153 WeakPolarHBondContact O-CE2 3.48Å
154Q93.1Very high89.9Confident49 Ų4970.1 Ų70.123%0.22938%0.38CS..EExtended strand (participates in β ladder)trans-104.8144.4166.558.8177.31.500108.8L125 V126 R156L125-Q154 CarbonylContact C-O 3.49Å; L125-Q154 WeakPolarHBondContact CA-O 3.38Å; V126-Q154 HydrophobicContact CB-CG 3.94Å; V126-Q154 PolarHBondContact N-O 3.31Å; V126-Q154 WeakPolarHBondContact O-CG 3.42Å; V126-Q154 PolarHBondContact O-N 3.49Å; Q154-R156 VanDerWaalsContact NE2-NE 3.18Å
155R90.5Very high89.4Confident23 Ų2368.7 Ų68.79%0.08737%0.373CS..EExtended strand (participates in β ladder)trans-80.6142.4169.2-171.8172.9-80.5161.3-5.6110.1D58 E61 Y114 L125D58-R155 IonicContact OD1-CZ 3.86Å; D58-R155 IonicContact OD1-NH1 3.92Å; D58-R155 PolarHBondContact OD1-NH1 3.34Å; D58-R155 IonicContact OD1-NH2 3.26Å; D58-R155 PolarHBondContact OD1-NH2 3.16Å; D58-R155 IonicContact OD2-NH2 2.82Å; E61-R155 VanDerWaalsContact CB-NH1 3.35Å; E61-R155 VanDerWaalsContact CG-CD 3.41Å; Y114-R155 HydrophobicContact CD2-CB 4.35Å; Y114-R155 HydrophobicContact CE2-CB 3.7Å; Y114-R155 PolarHBondContact OH-NH1 3.38Å; Y114-R155 VanDerWaalsContact OH-NH1 3.08Å; L125-R155 HydrophobicContact CD2-CB 3.95Å; L125-R155 HydrophobicContact CD2-CG 4.31Å
156R87Confident88.8Confident115 Ų11573.1 Ų73.143%0.43440%0.396SS..EExtended strand (participates in β ladder)trans-130.7156.3172.9-67.5-65.6-179.8169.8-8.5109.6N124 V126 Q154N124-R156 WeakPolarHBondContact CB-O 3.5Å; N124-R156 PolarHBondContact O-N 3.16Å; V126-R156 HydrophobicContact CB-CG 4.34Å; V126-R156 HydrophobicContact CG2-CB 4.06Å; V126-R156 HydrophobicContact CG2-CG 3.62Å; Q154-R156 VanDerWaalsContact NE2-NE 3.18Å
157P77.3Confident88.2Confident75 Ų7572 Ų7249%0.48738%0.384SS..PPolyproline II helixtrans-53.8154.6166.7-25.134.9000111.5N124 E159N124-P157 PolarHBondContact ND2-O 3.03Å; P157-E159 PolarHBondContact O-N 2.85Å
158F73.9Confident87.4Confident30 Ų3066.5 Ų66.513%0.13237%0.365CS..PPolyproline II helixtrans-71.5117.9167.3-72.2-83.2000108.7V77 V81 L122 N124 P135 Y137V77-F158 HydrophobicContact CB-CB 4.43Å; V77-F158 HydrophobicContact CG1-CB 3.67Å; V81-F158 HydrophobicContact CG1-CE2 4.09Å; V81-F158 HydrophobicContact CG1-CZ 4.2Å; V81-F158 HydrophobicContact CG2-CD2 4.49Å; V81-F158 HydrophobicContact CG2-CG 4.39Å; L122-F158 HydrophobicContact CD1-CE2 4.4Å; L122-F158 HydrophobicContact CD1-CZ 4.24Å; L122-F158 HydrophobicContact CG-CE2 4.12Å; L122-F158 HydrophobicContact CG-CZ 4.38Å; N124-F158 HydrophobicContact CB-CD1 3.97Å; N124-F158 HydrophobicContact CB-CE1 4.01Å; N124-F158 HydrophobicContact CB-CG 4.38Å; N124-F158 HydrophobicContact CB-CZ 4.47Å; P135-F158 HydrophobicContact CB-CE1 4.26Å; Y137-F158 HydrophobicContact CE1-CE1 4.09Å
159E68.9Low86.5Confident142 Ų14268.3 Ų68.366%0.66437%0.371SS*.PPolyproline II helixtrans-86.3145.8173.8-66.6-179.8-176.800110.1P157P157-E159 PolarHBondContact O-N 2.85Å
160P60Low85.5Confident178 Ų17870.5 Ų70.5100%1.15636%0.362SS*.  trans-670177.525-32.1000114.8V77V77-P160 HydrophobicContact CG2-CB 3.74Å; V77-P160 HydrophobicContact CG2-CG 4.46Å

Retrieved 160 of 160 residues in 205.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).