A0A075F891_MOUSE Loading...

Heat shock transcription factor 1 alpha isoform

AlphaFold DB (P38532), UniProt , Accession A0A075F891, Species MOUSE (Mus musculus, Mouse), Gene Hsf1, Length 525 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
1M54.8Low45.9Very low235 Ų235120.9 Ų120.9100%1.15882%0.821SS**  090.60-68.3-67.3-17600105.7
2D41Very low47Very low161 Ų161122.5 Ų122.586%0.86183%0.828SS**  trans-61.4128.6-166.2-61.5-77000113.7A4D2-A4 PolarHBondContact O-N 2.94Å
3L48.3Very low48.8Very low174 Ų174119.6 Ų119.691%0.91181%0.81SS**  trans-89.194.2163-76.8170.5000108.1V5L3-V5 PolarHBondContact O-N 3.4Å
4A41.2Very low51.5Low98 Ų98118.4 Ų118.481%0.8179%0.791SS**  trans-70.4107.1169.200000110D2 G6D2-A4 PolarHBondContact O-N 2.94Å; A4-G6 PolarHBondContact O-N 3.3Å
5V52.2Low54.3Low144 Ų144112.1 Ų112.187%0.87375%0.749SS**  trans-73.2110.4159.8159.70000107.2L3L3-V5 PolarHBondContact O-N 3.4Å
6G44Very low56.8Low55 Ų55107.8 Ų107.857%0.56772%0.719SS**PPolyproline II helixtrans-67.5152.2175.100000111.9A4 G8A4-G6 PolarHBondContact O-N 3.3Å; G6-G8 PolarHBondContact O-N 3.32Å
7P47Very low59Low132 Ų132105.4 Ų105.486%0.85771%0.71SS**PPolyproline II helixtrans-71.6116.4-179.130.5-30.6000108.5A9P7-A9 PolarHBondContact O-N 3.44Å
8G40.9Very low61Low75 Ų75100.4 Ų100.477%0.77367%0.674SS**PPolyproline II helixtrans-57.5124.616900000109.4G6 A10G6-G8 PolarHBondContact O-N 3.32Å; G8-A10 PolarHBondContact O-N 3.19Å
9A37.7Very low62.9Low107 Ų10795.2 Ų95.288%0.88464%0.639SS**  trans-57.3101178.800000110.8P7 G11P7-A9 PolarHBondContact O-N 3.44Å; A9-G11 PolarHBondContact O-N 3.16Å
10A45.9Very low64.5Low97 Ų9792.6 Ų92.680%0.80262%0.62SS**  trans-72111170.200000108.7G8G8-A10 PolarHBondContact O-N 3.19Å
11G52.2Low66Low52 Ų5292.4 Ų92.454%0.53661%0.609SS.*  trans-56.9163.6159.800000110.3A9 S13A9-G11 PolarHBondContact O-N 3.16Å; G11-S13 PolarHBondContact O-N 3.48Å
12P59Low68.1Low140 Ų14081.2 Ų81.291%0.90955%0.554SS**  trans-56.7105.1-179.724.8-33.4000108.9N14P12-N14 PolarHBondContact O-N 2.97Å
13S70.2Confident70.8Confident85 Ų8575.6 Ų75.659%0.59452%0.521SS*.  trans-64.2126.3-175.754.50000107.8G11 V15G11-S13 PolarHBondContact O-N 3.48Å; S13-V15 PolarHBondContact O-N 2.85Å
14N87Confident73Confident102 Ų10270.4 Ų70.455%0.54550%0.496SS..  trans-74.519.5176.563.33.7000112P12 P16 E113P12-N14 PolarHBondContact O-N 2.97Å; N14-P16 WeakPolarHBondContact O-CD 3.04Å; N14-E113 WeakPolarHBondContact OD1-CB 3.48Å
15V93Very high75.6Confident25 Ų2565.8 Ų65.815%0.15246%0.458CS..  trans-85123-172-179.60000108.8S13 A17 L19 L112 E113S13-V15 PolarHBondContact O-N 2.85Å; V15-A17 PolarHBondContact O-N 2.72Å; V15-L19 HydrophobicContact CG1-CB 3.92Å; V15-L19 HydrophobicContact CG1-CD1 4.43Å; V15-L112 HydrophobicContact CG1-CB 3.74Å; V15-L112 HydrophobicContact CG1-CD1 4.37Å; V15-L112 HydrophobicContact CG2-CB 4.12Å; V15-E113 HydrophobicContact CG2-CB 4.14Å
16P93.8Very high77.8Confident43 Ų4358.9 Ų58.928%0.27942%0.416SS..  trans-56.4135.1174.4-28.736.1000112.5N14 F18 L19 T20 Y76N14-P16 WeakPolarHBondContact O-CD 3.04Å; P16-F18 PolarHBondContact O-N 3.34Å; P16-L19 HydrophobicContact CG-CD1 4.45Å; P16-L19 PolarHBondContact O-N 2.79Å; P16-T20 PolarHBondContact O-N 2.87Å; P16-Y76 HydrophobicContact CB-CE1 3.97Å; P16-Y76 WeakPolarHBondContact CB-OH 3.26Å; P16-Y76 HydrophobicContact CG-CE1 3.87Å
17A94Very high80.2Confident67 Ų6758.3 Ų58.355%0.55440%0.403SS*.Hα-helixtrans-53.9-29.3-176.100000114.5V15 L19 K21V15-A17 PolarHBondContact O-N 2.72Å; A17-L19 VanDerWaalsContact C-N 3.34Å; A17-L19 PolarHBondContact O-N 3.06Å; A17-K21 WeakPolarHBondContact O-CB 3.38Å; A17-K21 WeakPolarHBondContact O-CD 3.24Å; A17-K21 VanDerWaalsContact O-CG 3.28Å; A17-K21 WeakPolarHBondContact O-CG 3.22Å; A17-K21 PolarHBondContact O-N 3.32Å
18F96.5Very high82.5Confident16 Ų1653.9 Ų53.97%0.0737%0.373CS..Hα-helixtrans-58.1-45173.7171.7-98.7000112.1P16 K21 L22 F61 F69 Q72 L73 Y76P16-F18 PolarHBondContact O-N 3.34Å; F18-K21 PolarHBondContact O-N 3.32Å; F18-L22 HydrophobicContact CE1-CD2 4.04Å; F18-L22 HydrophobicContact CZ-CD2 4.17Å; F18-L22 VanDerWaalsContact O-CB 3.28Å; F18-L22 WeakPolarHBondContact O-CB 3.26Å; F18-L22 PolarHBondContact O-N 3.31Å; F18-F61 HydrophobicContact CD2-CD1 4.29Å; F18-F61 AromaticContact CD2-CE1 3.49Å; F18-F61 HydrophobicContact CD2-CE1 3.49Å; F18-F61 VanDerWaalsContact CD2-CE1 3.49Å; F18-F61 AromaticContact CD2-CZ 3.93Å; F18-F61 HydrophobicContact CD2-CZ 3.93Å; F18-F61 AromaticContact CE2-CE1 3.92Å; F18-F61 HydrophobicContact CE2-CE1 3.92Å; F18-F61 AromaticContact CE2-CZ 3.92Å; F18-F61 HydrophobicContact CE2-CZ 3.92Å; F18-F61 HydrophobicContact CG-CE1 4.48Å; F18-F69 HydrophobicContact CE2-CD2 4.22Å; F18-F69 HydrophobicContact CE2-CE2 4.29Å; F18-F69 HydrophobicContact CZ-CE2 4.41Å; F18-Q72 HydrophobicContact CD1-CB 4.33Å; F18-Q72 HydrophobicContact CD2-CB 3.75Å; F18-Q72 HydrophobicContact CD2-CG 4.11Å; F18-Q72 HydrophobicContact CE1-CB 3.95Å; F18-Q72 HydrophobicContact CE2-CB 3.33Å; F18-Q72 HydrophobicContact CE2-CG 4.05Å; F18-Q72 HydrophobicContact CG-CB 4.24Å; F18-Q72 HydrophobicContact CZ-CB 3.44Å; F18-Q72 VanDerWaalsContact CZ-CB 3.44Å; F18-L73 HydrophobicContact CE1-CD2 4.15Å; F18-L73 HydrophobicContact CZ-CD2 3.86Å; F18-L73 HydrophobicContact CZ-CG 4.21Å; F18-Y76 HydrophobicContact CB-CE2 3.95Å; F18-Y76 AromaticContact CD1-CD2 3.28Å; F18-Y76 HydrophobicContact CD1-CD2 3.28Å; F18-Y76 AromaticContact CD1-CE2 3.27Å; F18-Y76 HydrophobicContact CD1-CE2 3.27Å; F18-Y76 HydrophobicContact CD1-CG 4.27Å; F18-Y76 AromaticContact CE1-CD2 3.58Å; F18-Y76 HydrophobicContact CE1-CD2 3.58Å; F18-Y76 HydrophobicContact CE1-CE2 4.03Å; F18-Y76 HydrophobicContact CE1-CG 4.49Å; F18-Y76 HydrophobicContact CG-CD2 4.25Å; F18-Y76 AromaticContact CG-CE2 3.82Å; F18-Y76 HydrophobicContact CG-CE2 3.82Å
19L96.8Very high85.1Confident0 Ų054.7 Ų54.70%036%0.364CS..Hα-helixtrans-71.4-41.7-177.1-64.6176.7000111.7V15 P16 A17 K21 L22 W23 Y76 F78 I115V15-L19 HydrophobicContact CG1-CB 3.92Å; V15-L19 HydrophobicContact CG1-CD1 4.43Å; P16-L19 HydrophobicContact CG-CD1 4.45Å; P16-L19 PolarHBondContact O-N 2.79Å; A17-L19 VanDerWaalsContact C-N 3.34Å; A17-L19 PolarHBondContact O-N 3.06Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.87Å; L19-L22 PolarHBondContact O-N 2.89Å; L19-W23 WeakPolarHBondContact O-CB 3.37Å; L19-W23 PolarHBondContact O-N 3.43Å; L19-Y76 HydrophobicContact CD1-CD1 3.95Å; L19-Y76 HydrophobicContact CD1-CE1 4.09Å; L19-Y76 HydrophobicContact CD2-CD1 4.08Å; L19-Y76 HydrophobicContact CD2-CD2 4.26Å; L19-Y76 HydrophobicContact CD2-CG 3.9Å; L19-Y76 HydrophobicContact CG-CD1 4.12Å; L19-Y76 HydrophobicContact CG-CE1 4.2Å; L19-Y76 HydrophobicContact CG-CG 4.37Å; L19-F78 HydrophobicContact CD2-CE2 3.88Å; L19-F78 HydrophobicContact CD2-CZ 4.27Å; L19-I115 HydrophobicContact CD1-CB 3.62Å; L19-I115 HydrophobicContact CD1-CD1 4.36Å; L19-I115 HydrophobicContact CD1-CG1 4.47Å; L19-I115 HydrophobicContact CD1-CG2 3.78Å; L19-I115 HydrophobicContact CD2-CD1 4.31Å; L19-I115 HydrophobicContact CD2-CG2 4.1Å
20T95.4Very high87.8Confident43 Ų4356.7 Ų56.726%0.26436%0.36SS..Hα-helixtrans-60.3-45.6175-48.80000111P16 W23 T24P16-T20 PolarHBondContact O-N 2.87Å; T20-W23 PolarHBondContact O-N 2.83Å; T20-T24 WeakPolarHBondContact O-CB 3.32Å; T20-T24 PolarHBondContact O-N 2.88Å; T20-T24 PolarHBondContact O-OG1 3.32Å
21K96.2Very high90.1Very high90 Ų9052.8 Ų52.839%0.39133%0.326SS..Hα-helixtrans-63.1-44.1175.9-76.3169.1169.8-76.90112.1A17 F18 L19 T24 L25 Y60 F61A17-K21 WeakPolarHBondContact O-CB 3.38Å; A17-K21 WeakPolarHBondContact O-CD 3.24Å; A17-K21 VanDerWaalsContact O-CG 3.28Å; A17-K21 WeakPolarHBondContact O-CG 3.22Å; A17-K21 PolarHBondContact O-N 3.32Å; F18-K21 PolarHBondContact O-N 3.32Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.87Å; K21-T24 PolarHBondContact O-N 3.23Å; K21-L25 WeakPolarHBondContact O-CB 3.46Å; K21-L25 PolarHBondContact O-N 3.39Å; K21-Y60 WeakPolarHBondContact CD-O 3.44Å; K21-Y60 WeakPolarHBondContact CE-O 3.45Å; K21-Y60 PolarHBondContact NZ-O 3.49Å; K21-F61 HydrophobicContact CB-CE1 3.9Å; K21-F61 HydrophobicContact CB-CZ 4Å; K21-F61 HydrophobicContact CD-CD1 4.34Å; K21-F61 HydrophobicContact CD-CE1 4.08Å
22L97.4Very high92.1Very high0 Ų053.8 Ų53.80%032%0.319CS..Hα-helixtrans-62.8-46.4178.1178.565.1000111.4F18 L19 T24 L25 V26 F44 F69 L73 F78 F104F18-L22 HydrophobicContact CE1-CD2 4.04Å; F18-L22 HydrophobicContact CZ-CD2 4.17Å; F18-L22 VanDerWaalsContact O-CB 3.28Å; F18-L22 WeakPolarHBondContact O-CB 3.26Å; F18-L22 PolarHBondContact O-N 3.31Å; L19-L22 PolarHBondContact O-N 2.89Å; L22-T24 PolarHBondContact O-N 3.26Å; L22-L25 PolarHBondContact O-N 3.4Å; L22-V26 HydrophobicContact CD1-CG2 4.04Å; L22-V26 HydrophobicContact CG-CG2 4.42Å; L22-V26 VanDerWaalsContact O-CG2 3.23Å; L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 3.01Å; L22-F44 HydrophobicContact CD1-CE2 4.42Å; L22-F44 HydrophobicContact CD1-CZ 4.13Å; L22-F44 HydrophobicContact CD2-CE1 4.33Å; L22-F44 HydrophobicContact CD2-CZ 4.34Å; L22-F69 HydrophobicContact CD1-CE2 3.78Å; L22-F69 HydrophobicContact CD1-CZ 3.62Å; L22-L73 HydrophobicContact CD2-CD2 3.51Å; L22-F78 HydrophobicContact CD2-CE1 4.26Å; L22-F78 HydrophobicContact CD2-CE2 4.36Å; L22-F78 HydrophobicContact CD2-CZ 3.87Å; L22-F104 HydrophobicContact CD2-CE2 3.99Å; L22-F104 HydrophobicContact CD2-CZ 3.98Å; L22-F104 HydrophobicContact CG-CE2 4.05Å; L22-F104 HydrophobicContact CG-CZ 3.75Å
23W97.3Very high93.8Very high43 Ų4351.1 Ų51.116%0.16331%0.309CS..Hα-helixtrans-63.8-42179-170.593.7000112.1L19 T20 S27 W37 F104 L105 E109 L112L19-W23 WeakPolarHBondContact O-CB 3.37Å; L19-W23 PolarHBondContact O-N 3.43Å; T20-W23 PolarHBondContact O-N 2.83Å; W23-S27 VanDerWaalsContact O-CB 3.28Å; W23-S27 WeakPolarHBondContact O-CB 3.29Å; W23-S27 PolarHBondContact O-N 3.38Å; W23-S27 VanDerWaalsContact O-N 3.11Å; W23-S27 PolarHBondContact O-OG 3.45Å; W23-W37 AromaticContact CD1-CH2 3.92Å; W23-W37 AromaticContact CD1-CZ2 3.84Å; W23-W37 HydrophobicContact CG-CZ2 4.44Å; W23-W37 AromaticContact NE1-CZ2 3.85Å; W23-F104 HydrophobicContact CB-CE2 3.85Å; W23-F104 HydrophobicContact CB-CZ 4.12Å; W23-F104 HydrophobicContact CG-CE2 4.36Å; W23-L105 PolarHBondContact NE1-O 3.41Å; W23-E109 HydrophobicContact CD2-CB 4.41Å; W23-E109 HydrophobicContact CD2-CG 4.25Å; W23-E109 HydrophobicContact CE3-CG 4.34Å; W23-E109 HydrophobicContact CH2-CB 4.38Å; W23-E109 HydrophobicContact CZ2-CB 4.08Å; W23-L112 HydrophobicContact CB-CD1 3.7Å; W23-L112 HydrophobicContact CB-CD2 4.42Å; W23-L112 HydrophobicContact CG-CD1 3.88Å
24T95.6Very high95Very high65 Ų6547.8 Ų47.840%0.39928%0.284SS..Hα-helixtrans-62.4-45.7174.7-53.50000110.6T20 K21 L22 S27 D28T20-T24 WeakPolarHBondContact O-CB 3.32Å; T20-T24 PolarHBondContact O-N 2.88Å; T20-T24 PolarHBondContact O-OG1 3.32Å; K21-T24 PolarHBondContact O-N 3.23Å; L22-T24 PolarHBondContact O-N 3.26Å; T24-S27 CarbonylContact O-C 3.57Å; T24-S27 PolarHBondContact O-N 2.83Å; T24-D28 WeakPolarHBondContact O-CB 3.25Å; T24-D28 PolarHBondContact O-N 2.83Å; T24-D28 VanDerWaalsContact O-N 3.11Å
25L96.4Very high95.5Very high0 Ų042.9 Ų42.90%026%0.258CS..Hα-helixtrans-59.6-50.8179.8172.563.9000111.7K21 L22 S27 D28 T31 I35 F52 V56 Y60 F61K21-L25 WeakPolarHBondContact O-CB 3.46Å; K21-L25 PolarHBondContact O-N 3.39Å; L22-L25 PolarHBondContact O-N 3.4Å; L25-S27 PolarHBondContact O-N 2.91Å; L25-D28 WeakPolarHBondContact O-CB 3.47Å; L25-D28 PolarHBondContact O-N 3.15Å; L25-T31 HydrophobicContact CD1-CG2 3.93Å; L25-T31 PolarHBondContact O-OG1 3.09Å; L25-I35 HydrophobicContact CD1-CG2 3.92Å; L25-I35 HydrophobicContact CD2-CD1 3.97Å; L25-I35 HydrophobicContact CD2-CG2 4.43Å; L25-I35 HydrophobicContact CG-CD1 4.17Å; L25-I35 HydrophobicContact CG-CG2 3.9Å; L25-F52 HydrophobicContact CD2-CE2 4.11Å; L25-F52 HydrophobicContact CD2-CZ 4.22Å; L25-V56 HydrophobicContact CD1-CG1 3.35Å; L25-V56 HydrophobicContact CD2-CG1 4.19Å; L25-V56 HydrophobicContact CG-CG1 4.37Å; L25-Y60 HydrophobicContact CB-CD1 3.94Å; L25-Y60 HydrophobicContact CB-CE1 3.92Å; L25-Y60 HydrophobicContact CB-CG 4.4Å; L25-Y60 HydrophobicContact CD1-CD1 4.24Å; L25-Y60 HydrophobicContact CD1-CD2 3.7Å; L25-Y60 HydrophobicContact CD1-CE1 3.99Å; L25-Y60 HydrophobicContact CD1-CE2 3.44Å; L25-Y60 VanDerWaalsContact CD1-CE2 3.44Å; L25-Y60 HydrophobicContact CD1-CG 4.12Å; L25-F61 HydrophobicContact CD2-CE2 4.28Å
26V97.2Very high95.7Very high0 Ų042.9 Ų42.90%026%0.259CS..Hα-helixtrans-67.7-24.4-179.1-175.90000111.8L22 I35 W37 F44 F104L22-V26 HydrophobicContact CD1-CG2 4.04Å; L22-V26 HydrophobicContact CG-CG2 4.42Å; L22-V26 VanDerWaalsContact O-CG2 3.23Å; L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 3.01Å; V26-I35 HydrophobicContact CG2-CD1 3.69Å; V26-I35 HydrophobicContact CG2-CG1 3.91Å; V26-W37 HydrophobicContact CB-CD2 4.42Å; V26-W37 HydrophobicContact CB-CZ2 4.09Å; V26-W37 HydrophobicContact CG1-CB 4.44Å; V26-W37 HydrophobicContact CG1-CD2 3.43Å; V26-W37 VanDerWaalsContact CG1-CD2 3.43Å; V26-W37 VanDerWaalsContact CG1-CE2 3.41Å; V26-W37 HydrophobicContact CG1-CE3 3.98Å; V26-W37 HydrophobicContact CG1-CG 3.65Å; V26-W37 HydrophobicContact CG1-CH2 4.45Å; V26-W37 HydrophobicContact CG1-CZ2 3.95Å; V26-W37 HydrophobicContact CG1-CZ3 4.46Å; V26-W37 PolarHBondContact O-NE1 3.18Å; V26-F44 HydrophobicContact CG1-CB 3.49Å; V26-F44 VanDerWaalsContact CG1-CB 3.49Å; V26-F44 HydrophobicContact CG1-CG 4.22Å; V26-F44 HydrophobicContact CG2-CB 4.12Å; V26-F44 HydrophobicContact CG2-CD1 4.4Å; V26-F44 HydrophobicContact CG2-CD2 4.08Å; V26-F44 HydrophobicContact CG2-CG 3.95Å; V26-F104 HydrophobicContact CG2-CE1 4.41Å; V26-F104 HydrophobicContact CG2-CZ 4.36Å
27S95Very high95.9Very high42 Ų4241.9 Ų41.929%0.29425%0.249SC..THydrogen-bonded Turntrans-90.5-1.4179.5-52.10000113.7W23 T24 L25 P29 W37W23-S27 VanDerWaalsContact O-CB 3.28Å; W23-S27 WeakPolarHBondContact O-CB 3.29Å; W23-S27 PolarHBondContact O-N 3.38Å; W23-S27 VanDerWaalsContact O-N 3.11Å; W23-S27 PolarHBondContact O-OG 3.45Å; T24-S27 CarbonylContact O-C 3.57Å; T24-S27 PolarHBondContact O-N 2.83Å; L25-S27 PolarHBondContact O-N 2.91Å; S27-P29 WeakPolarHBondContact O-CD 3.46Å; S27-W37 PolarHBondContact OG-NE1 3.49Å
28D94.9Very high96Very high40 Ų4038.8 Ų38.821%0.21422%0.224CC..  trans-87.8112.9-177.8-170.3-14.4000110.4T24 L25 D30 T31 D32 Y60T24-D28 WeakPolarHBondContact O-CB 3.25Å; T24-D28 PolarHBondContact O-N 2.83Å; T24-D28 VanDerWaalsContact O-N 3.11Å; L25-D28 WeakPolarHBondContact O-CB 3.47Å; L25-D28 PolarHBondContact O-N 3.15Å; D28-D30 PolarHBondContact O-N 3.45Å; D28-D30 VanDerWaalsContact O-N 3.14Å; D28-D30 WeakPolarHBondContact OD1-CB 3.38Å; D28-D30 PolarHBondContact OD1-N 2.84Å; D28-D30 VanDerWaalsContact OD1-N 3.1Å; D28-T31 HydrophobicContact CB-CG2 4.49Å; D28-T31 PolarHBondContact O-N 3.42Å; D28-T31 PolarHBondContact O-OG1 2.86Å; D28-D32 PolarHBondContact O-N 3.06Å; D28-Y60 PolarHBondContact OD2-OH 3.36Å
29P95.2Very high95.9Very high92 Ų9243.7 Ų43.760%0.59726%0.257SS*.G310 helixtrans-62.8-22-177.627.6-36000113.1S27 T31 D32S27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-T31 PolarHBondContact O-N 3.47Å; P29-D32 PolarHBondContact O-N 3.28Å
30D94.3Very high95.8Very high149 Ų14947.7 Ų47.780%0.79729%0.285SS*.G310 helixtrans-69.1-20.7176.7-69.6-17.5000112D28D28-D30 PolarHBondContact O-N 3.45Å; D28-D30 VanDerWaalsContact O-N 3.14Å; D28-D30 WeakPolarHBondContact OD1-CB 3.38Å; D28-D30 PolarHBondContact OD1-N 2.84Å; D28-D30 VanDerWaalsContact OD1-N 3.1Å
31T94.6Very high95.8Very high15 Ų1545.9 Ų45.99%0.09228%0.275CS..G310 helixtrans-105-2.2-179.366.90000114.1L25 D28 P29 A33 L34 I35 V56L25-T31 HydrophobicContact CD1-CG2 3.93Å; L25-T31 PolarHBondContact O-OG1 3.09Å; D28-T31 HydrophobicContact CB-CG2 4.49Å; D28-T31 PolarHBondContact O-N 3.42Å; D28-T31 PolarHBondContact O-OG1 2.86Å; P29-T31 PolarHBondContact O-N 3.47Å; T31-A33 PolarHBondContact O-N 3.04Å; T31-L34 PolarHBondContact O-N 3.36Å; T31-I35 CarbonylContact C-O 3.5Å; T31-I35 PolarHBondContact O-N 2.84Å; T31-I35 VanDerWaalsContact O-O 3.12Å; T31-V56 HydrophobicContact CG2-CG1 4.46Å
32D94.8Very high95.8Very high73 Ų7344.4 Ų44.439%0.3927%0.271SS..THydrogen-bonded Turntrans-56-23.8-176.5-87.6-15000113.7D28 P29 L34 I35 C36D28-D32 PolarHBondContact O-N 3.06Å; P29-D32 PolarHBondContact O-N 3.28Å; D32-L34 VanDerWaalsContact C-N 3.29Å; D32-L34 PolarHBondContact O-N 3.23Å; D32-I35 WeakPolarHBondContact CA-O 3.12Å; D32-C36 HydrophobicContact CB-CB 4.2Å; D32-C36 WeakPolarHBondContact OD1-CB 3.32Å
33A94.8Very high95.8Very high83 Ų8344.4 Ų44.469%0.68627%0.272SS*.THydrogen-bonded Turntrans-66.5-29175.200000113.5T31T31-A33 PolarHBondContact O-N 3.04Å
34L95.6Very high95.8Very high15 Ų1542.4 Ų42.48%0.07926%0.264CS..THydrogen-bonded Turntrans-116.4-29.7-175-65.1175.1000112.6T31 D32 V46 F47 D48 Q51 F52 V56T31-L34 PolarHBondContact O-N 3.36Å; D32-L34 VanDerWaalsContact C-N 3.29Å; D32-L34 PolarHBondContact O-N 3.23Å; L34-V46 CarbonylContact O-C 3.6Å; L34-V46 WeakPolarHBondContact O-CA 3.48Å; L34-F47 PolarHBondContact O-N 3.37Å; L34-D48 HydrophobicContact CD2-CB 4.17Å; L34-Q51 HydrophobicContact CD1-CG 4.06Å; L34-Q51 HydrophobicContact CD2-CB 4.1Å; L34-Q51 HydrophobicContact CD2-CG 4.06Å; L34-F52 HydrophobicContact CB-CB 4.42Å; L34-F52 HydrophobicContact CB-CD2 4.37Å; L34-V56 HydrophobicContact CB-CG2 4.42Å; L34-V56 HydrophobicContact CD1-CG2 3.61Å
35I97.2Very high95.9Very high0 Ų040.4 Ų40.40%025%0.25CS..EExtended strand (participates in β ladder)trans-146.6121.4176.9-175.5167.4000109.7L25 V26 T31 D32 F44 H45 V46 F52L25-I35 HydrophobicContact CD1-CG2 3.92Å; L25-I35 HydrophobicContact CD2-CD1 3.97Å; L25-I35 HydrophobicContact CD2-CG2 4.43Å; L25-I35 HydrophobicContact CG-CD1 4.17Å; L25-I35 HydrophobicContact CG-CG2 3.9Å; V26-I35 HydrophobicContact CG2-CD1 3.69Å; V26-I35 HydrophobicContact CG2-CG1 3.91Å; T31-I35 CarbonylContact C-O 3.5Å; T31-I35 PolarHBondContact O-N 2.84Å; T31-I35 VanDerWaalsContact O-O 3.12Å; D32-I35 WeakPolarHBondContact CA-O 3.12Å; I35-F44 HydrophobicContact CD1-CD2 4.01Å; I35-F44 HydrophobicContact CD1-CE2 4.13Å; I35-F44 HydrophobicContact CG1-CD2 4.11Å; I35-H45 VanDerWaalsContact CA-O 3.28Å; I35-H45 WeakPolarHBondContact CA-O 3.49Å; I35-V46 HydrophobicContact CD1-CG2 4.11Å; I35-V46 HydrophobicContact CG1-CG2 4.24Å; I35-F52 HydrophobicContact CB-CD2 4.26Å; I35-F52 HydrophobicContact CB-CE2 3.97Å; I35-F52 HydrophobicContact CD1-CE2 3.91Å; I35-F52 HydrophobicContact CD1-CZ 4.07Å; I35-F52 HydrophobicContact CG2-CD2 4.31Å; I35-F52 HydrophobicContact CG2-CE2 3.9Å
36C96.9Very high95.9Very high24 Ų2440.4 Ų40.416%0.16225%0.25CS..EExtended strand (participates in β ladder)trans-146.5162.1-178.173.90000112.2D32 F44 H45D32-C36 HydrophobicContact CB-CB 4.2Å; D32-C36 WeakPolarHBondContact OD1-CB 3.32Å; C36-F44 CarbonylContact O-C 3.46Å; C36-F44 VanDerWaalsContact O-CA 3.22Å; C36-F44 WeakPolarHBondContact O-CA 3.31Å; C36-F44 WeakPolarHBondContact O-CB 3.36Å; C36-H45 PolarHBondContact N-O 3.41Å; C36-H45 VanDerWaalsContact N-O 3.15Å; C36-H45 PolarHBondContact O-N 2.87Å
37W97.8Very high95.8Very high22 Ų2242.6 Ų42.68%0.08326%0.26CS..EExtended strand (participates in β ladder)trans-68.6143172.6-69.5102.9000111.5W23 V26 S27 F104 R106W23-W37 AromaticContact CD1-CH2 3.92Å; W23-W37 AromaticContact CD1-CZ2 3.84Å; W23-W37 HydrophobicContact CG-CZ2 4.44Å; W23-W37 AromaticContact NE1-CZ2 3.85Å; V26-W37 HydrophobicContact CB-CD2 4.42Å; V26-W37 HydrophobicContact CB-CZ2 4.09Å; V26-W37 HydrophobicContact CG1-CB 4.44Å; V26-W37 HydrophobicContact CG1-CD2 3.43Å; V26-W37 VanDerWaalsContact CG1-CD2 3.43Å; V26-W37 VanDerWaalsContact CG1-CE2 3.41Å; V26-W37 HydrophobicContact CG1-CE3 3.98Å; V26-W37 HydrophobicContact CG1-CG 3.65Å; V26-W37 HydrophobicContact CG1-CH2 4.45Å; V26-W37 HydrophobicContact CG1-CZ2 3.95Å; V26-W37 HydrophobicContact CG1-CZ3 4.46Å; V26-W37 PolarHBondContact O-NE1 3.18Å; S27-W37 PolarHBondContact OG-NE1 3.49Å; W37-F104 AromaticContact CH2-CD1 3.48Å; W37-F104 HydrophobicContact CH2-CD1 3.48Å; W37-F104 VanDerWaalsContact CH2-CD1 3.48Å; W37-F104 AromaticContact CH2-CE1 3.09Å; W37-F104 HydrophobicContact CH2-CE1 3.09Å; W37-F104 HydrophobicContact CH2-CG 4.35Å; W37-F104 AromaticContact CH2-CZ 3.69Å; W37-F104 HydrophobicContact CH2-CZ 3.69Å; W37-F104 AromaticContact CZ2-CE1 3.98Å; W37-F104 HydrophobicContact CZ2-CE1 3.98Å; W37-F104 HydrophobicContact CZ2-CZ 4.25Å; W37-F104 AromaticContact CZ3-CD1 3.54Å; W37-F104 HydrophobicContact CZ3-CD1 3.54Å; W37-F104 AromaticContact CZ3-CE1 3.42Å; W37-F104 HydrophobicContact CZ3-CE1 3.42Å; W37-F104 VanDerWaalsContact CZ3-CE1 3.42Å; W37-F104 HydrophobicContact CZ3-CZ 4.42Å; W37-R106 HydrophobicContact CD2-CB 3.75Å; W37-R106 HydrophobicContact CD2-CG 4.12Å; W37-R106 HydrophobicContact CE3-CB 4.01Å; W37-R106 HydrophobicContact CG-CB 4.09Å; W37-R106 HydrophobicContact CG-CG 4.03Å; W37-R106 HydrophobicContact CZ2-CB 4.38Å; W37-R106 HydrophobicContact CZ3-CB 4.41Å
38S96Very high95.7Very high2 Ų243.6 Ų43.61%0.01426%0.262CS..  trans-61.7159.1165.366.10000111S40 G41 N42 S43S38-S40 PolarHBondContact O-N 2.86Å; S38-S40 PolarHBondContact OG-OG 3.27Å; S38-G41 WeakPolarHBondContact O-CA 3.36Å; S38-G41 PolarHBondContact O-N 3.39Å; S38-G41 PolarHBondContact OG-N 2.96Å; S38-N42 PolarHBondContact OG-OD1 3.36Å; S38-S43 WeakPolarHBondContact CB-OG 3.31Å; S38-S43 PolarHBondContact N-O 3.26Å; S38-S43 PolarHBondContact OG-N 2.97Å; S38-S43 PolarHBondContact OG-O 3.28Å; S38-S43 VanDerWaalsContact OG-O 3.12Å; S38-S43 PolarHBondContact OG-OG 3.38Å
39P94.7Very high95.6Very high120 Ų12044.6 Ų44.678%0.77927%0.265SS*.THydrogen-bonded Turntrans-54.7-39.3-179.4-27.935.8000113.4G41 R106P39-G41 VanDerWaalsContact C-N 3.31Å; P39-G41 PolarHBondContact O-N 2.89Å; P39-R106 PolarHBondContact O-NH2 3.16Å
40S94.6Very high95.6Very high84 Ų8442.5 Ų42.559%0.58726%0.26SS*.THydrogen-bonded Turntrans-71.1-20.2175.540.10000113.9S38 N42S38-S40 PolarHBondContact O-N 2.86Å; S38-S40 PolarHBondContact OG-OG 3.27Å; S40-N42 VanDerWaalsContact C-N 3.27Å; S40-N42 WeakPolarHBondContact CB-OD1 3.38Å; S40-N42 PolarHBondContact O-N 3.29Å; S40-N42 PolarHBondContact OG-OD1 3.36Å
41G95.3Very high95.6Very high5 Ų539.2 Ų39.25%0.05224%0.24CC..SBendtrans70.818.9179.400000114.3S38 P39 L105 R106S38-G41 WeakPolarHBondContact O-CA 3.36Å; S38-G41 PolarHBondContact O-N 3.39Å; S38-G41 PolarHBondContact OG-N 2.96Å; P39-G41 VanDerWaalsContact C-N 3.31Å; P39-G41 PolarHBondContact O-N 2.89Å; G41-L105 CarbonylContact O-C 3.59Å; G41-L105 WeakPolarHBondContact O-CA 3.48Å; G41-R106 PolarHBondContact O-N 2.86Å
42N96Very high95.7Very high58 Ų5838.5 Ų38.531%0.3124%0.235SC..SBendtrans-106.41.8177.465.1-16.1000113.3S38 S40 Q100 L105S38-N42 PolarHBondContact OG-OD1 3.36Å; S40-N42 VanDerWaalsContact C-N 3.27Å; S40-N42 WeakPolarHBondContact CB-OD1 3.38Å; S40-N42 PolarHBondContact O-N 3.29Å; S40-N42 PolarHBondContact OG-OD1 3.36Å; N42-Q100 PolarHBondContact ND2-NE2 3.39Å; N42-Q100 WeakPolarHBondContact O-CG 3.42Å; N42-Q100 PolarHBondContact O-NE2 3.27Å; N42-L105 HydrophobicContact CB-CD2 3.74Å
43S97.1Very high95.8Very high1 Ų135.5 Ų35.51%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-155.2171.2179.651.50000109S38 E98 F99S38-S43 WeakPolarHBondContact CB-OG 3.31Å; S38-S43 PolarHBondContact N-O 3.26Å; S38-S43 PolarHBondContact OG-N 2.97Å; S38-S43 PolarHBondContact OG-O 3.28Å; S38-S43 VanDerWaalsContact OG-O 3.12Å; S38-S43 PolarHBondContact OG-OG 3.38Å; S43-E98 WeakPolarHBondContact CB-OE1 3.46Å; S43-E98 PolarHBondContact OG-OE1 3.35Å; S43-F99 WeakPolarHBondContact CA-O 3.34Å; S43-F99 WeakPolarHBondContact CB-O 3.39Å
44F97.8Very high95.9Very high0 Ų039.2 Ų39.20%022%0.221CC..EExtended strand (participates in β ladder)trans-138.5147.9176.468-90.1000111L22 V26 I35 C36 V46 F69 L73 F78 E98 F99 F104L22-F44 HydrophobicContact CD1-CE2 4.42Å; L22-F44 HydrophobicContact CD1-CZ 4.13Å; L22-F44 HydrophobicContact CD2-CE1 4.33Å; L22-F44 HydrophobicContact CD2-CZ 4.34Å; V26-F44 HydrophobicContact CG1-CB 3.49Å; V26-F44 VanDerWaalsContact CG1-CB 3.49Å; V26-F44 HydrophobicContact CG1-CG 4.22Å; V26-F44 HydrophobicContact CG2-CB 4.12Å; V26-F44 HydrophobicContact CG2-CD1 4.4Å; V26-F44 HydrophobicContact CG2-CD2 4.08Å; V26-F44 HydrophobicContact CG2-CG 3.95Å; I35-F44 HydrophobicContact CD1-CD2 4.01Å; I35-F44 HydrophobicContact CD1-CE2 4.13Å; I35-F44 HydrophobicContact CG1-CD2 4.11Å; C36-F44 CarbonylContact O-C 3.46Å; C36-F44 VanDerWaalsContact O-CA 3.22Å; C36-F44 WeakPolarHBondContact O-CA 3.31Å; C36-F44 WeakPolarHBondContact O-CB 3.36Å; F44-V46 HydrophobicContact CD2-CG2 4.08Å; F44-V46 HydrophobicContact CE2-CG2 3.87Å; F44-F69 HydrophobicContact CE2-CZ 4.47Å; F44-L73 HydrophobicContact CE1-CD2 4.42Å; F44-L73 HydrophobicContact CZ-CD1 3.98Å; F44-L73 HydrophobicContact CZ-CD2 3.84Å; F44-F78 AromaticContact CE1-CD1 3.9Å; F44-F78 HydrophobicContact CE1-CD1 3.9Å; F44-F78 AromaticContact CE1-CE1 3.76Å; F44-F78 HydrophobicContact CE1-CE1 3.76Å; F44-E98 WeakPolarHBondContact O-CA 3.5Å; F44-F99 HydrophobicContact CD1-CB 4.38Å; F44-F99 HydrophobicContact CE1-CB 3.75Å; F44-F99 HydrophobicContact CE2-CB 4.01Å; F44-F99 AromaticContact CE2-CD2 3.89Å; F44-F99 HydrophobicContact CE2-CD2 3.89Å; F44-F99 HydrophobicContact CE2-CG 4.37Å; F44-F99 HydrophobicContact CZ-CB 3.55Å; F44-F99 HydrophobicContact CZ-CD2 4.09Å; F44-F99 HydrophobicContact CZ-CG 4.13Å; F44-F99 PolarHBondContact N-O 3.31Å; F44-F99 PolarHBondContact O-N 3.44Å; F44-F104 HydrophobicContact CD1-CD1 4.05Å; F44-F104 AromaticContact CD1-CE1 3.67Å; F44-F104 HydrophobicContact CD1-CE1 3.67Å; F44-F104 HydrophobicContact CE1-CD1 4.36Å; F44-F104 HydrophobicContact CE1-CE1 4.05Å
45H96.8Very high95.9Very high24 Ų2443.2 Ų43.211%0.11124%0.24CC..EExtended strand (participates in β ladder)trans-101.1144.4178.5-66.2-100.6000109.7I35 C36 F47 D96 E98I35-H45 VanDerWaalsContact CA-O 3.28Å; I35-H45 WeakPolarHBondContact CA-O 3.49Å; C36-H45 PolarHBondContact N-O 3.41Å; C36-H45 VanDerWaalsContact N-O 3.15Å; C36-H45 PolarHBondContact O-N 2.87Å; H45-F47 HydrophobicContact CB-CE1 4.15Å; H45-F47 HydrophobicContact CB-CE2 3.87Å; H45-F47 HydrophobicContact CB-CZ 3.61Å; H45-D96 IonicContact CE1-OD2 2.88Å; H45-D96 IonicContact CG-OD1 3.62Å; H45-D96 IonicContact ND1-OD1 3.98Å; H45-D96 PolarHBondContact ND1-OD1 3.33Å; H45-D96 IonicContact ND1-OD2 3.63Å; H45-D96 PolarHBondContact ND1-OD2 2.86Å; H45-E98 IonicContact CE1-OE2 3.26Å; H45-E98 IonicContact NE2-OE2 3.86Å
46V96.5Very high95.8Very high0 Ų043.5 Ų43.50%024%0.242CC..EExtended strand (participates in β ladder)trans-119.4115.1167.9-176.90000107.1L34 I35 F44 Q49 F52 M66 F69 T97 F99L34-V46 CarbonylContact O-C 3.6Å; L34-V46 WeakPolarHBondContact O-CA 3.48Å; I35-V46 HydrophobicContact CD1-CG2 4.11Å; I35-V46 HydrophobicContact CG1-CG2 4.24Å; F44-V46 HydrophobicContact CD2-CG2 4.08Å; F44-V46 HydrophobicContact CE2-CG2 3.87Å; V46-Q49 HydrophobicContact CG1-CG 4.5Å; V46-F52 HydrophobicContact CG1-CB 4.14Å; V46-F52 HydrophobicContact CG1-CD1 3.66Å; V46-F52 HydrophobicContact CG1-CD2 4.27Å; V46-F52 HydrophobicContact CG1-CE1 4.09Å; V46-F52 HydrophobicContact CG1-CG 3.76Å; V46-M66 HydrophobicContact CG1-CE 3.99Å; V46-F69 HydrophobicContact CG2-CE1 4.47Å; V46-T97 PolarHBondContact N-O 3.06Å; V46-T97 PolarHBondContact O-N 3.26Å; V46-F99 HydrophobicContact CG2-CD2 4.32Å; V46-F99 HydrophobicContact CG2-CE2 4.36Å
47F94.8Very high95.8Very high46 Ų4642.4 Ų42.420%0.20223%0.234CC..  trans-95.2154.8175.4-55.3-69.4000110.4L34 H45 Q49 D95 D96L34-F47 PolarHBondContact O-N 3.37Å; H45-F47 HydrophobicContact CB-CE1 4.15Å; H45-F47 HydrophobicContact CB-CE2 3.87Å; H45-F47 HydrophobicContact CB-CZ 3.61Å; F47-Q49 PolarHBondContact O-N 2.98Å; F47-D95 WeakPolarHBondContact CA-O 3.28Å; F47-D96 HydrophobicContact CD1-CB 4Å; F47-D96 HydrophobicContact CE1-CB 3.94Å
48D93.4Very high95.7Very high62 Ų6244.6 Ų44.633%0.33225%0.251SS..  trans43.562.8172-63.2-38.7000112.5L34 G50 Q51 F52 D95L34-D48 HydrophobicContact CD2-CB 4.17Å; D48-G50 PolarHBondContact O-N 3.24Å; D48-Q51 HydrophobicContact CB-CB 4.16Å; D48-Q51 WeakPolarHBondContact O-CA 3.45Å; D48-Q51 PolarHBondContact O-N 3.42Å; D48-F52 PolarHBondContact O-N 2.88Å; D48-D95 PolarHBondContact N-O 3.37Å
49Q93.8Very high95.7Very high62 Ų6252.3 Ų52.329%0.2928%0.284SS..Hα-helixtrans-49.8-33.5-170.1-64.1-177.348.800113.6V46 F47 A53 M66 T97V46-Q49 HydrophobicContact CG1-CG 4.5Å; F47-Q49 PolarHBondContact O-N 2.98Å; Q49-A53 WeakPolarHBondContact O-CB 3.36Å; Q49-A53 PolarHBondContact O-N 3.37Å; Q49-M66 HydrophobicContact CB-CG 4.35Å; Q49-M66 HydrophobicContact CG-CE 4.11Å; Q49-T97 PolarHBondContact NE2-OG1 2.83Å
50G94.4Very high95.7Very high47 Ų4748.7 Ų48.749%0.48526%0.255SS..Hα-helixtrans-65.7-41.3175.500000113.8D48 K54D48-G50 PolarHBondContact O-N 3.24Å; G50-K54 WeakPolarHBondContact O-CG 3.39Å; G50-K54 PolarHBondContact O-N 2.78Å
51Q95Very high95.7Very high80 Ų8045.8 Ų45.837%0.37423%0.232SC..Hα-helixtrans-73.2-46.9176.7-171.2178.4-1.700110.8L34 D48 A53 K54 E55L34-Q51 HydrophobicContact CD1-CG 4.06Å; L34-Q51 HydrophobicContact CD2-CB 4.1Å; L34-Q51 HydrophobicContact CD2-CG 4.06Å; D48-Q51 HydrophobicContact CB-CB 4.16Å; D48-Q51 WeakPolarHBondContact O-CA 3.45Å; D48-Q51 PolarHBondContact O-N 3.42Å; Q51-A53 VanDerWaalsContact C-N 3.25Å; Q51-A53 PolarHBondContact O-N 3.39Å; Q51-K54 PolarHBondContact O-N 3.45Å; Q51-K54 VanDerWaalsContact O-N 3.09Å; Q51-E55 VanDerWaalsContact CG-CD 3.48Å; Q51-E55 HydrophobicContact CG-CG 4.18Å; Q51-E55 PolarHBondContact NE2-OE1 3.48Å; Q51-E55 PolarHBondContact NE2-OE2 3.36Å; Q51-E55 PolarHBondContact O-N 2.84Å
52F96.5Very high95.7Very high0 Ų056 Ų560%028%0.275CS..Iπ-helixtrans-52.1-45.4173.5171.6-104.4000112L25 L34 I35 V46 D48 K54 V56 L57 M66 F69L25-F52 HydrophobicContact CD2-CE2 4.11Å; L25-F52 HydrophobicContact CD2-CZ 4.22Å; L34-F52 HydrophobicContact CB-CB 4.42Å; L34-F52 HydrophobicContact CB-CD2 4.37Å; I35-F52 HydrophobicContact CB-CD2 4.26Å; I35-F52 HydrophobicContact CB-CE2 3.97Å; I35-F52 HydrophobicContact CD1-CE2 3.91Å; I35-F52 HydrophobicContact CD1-CZ 4.07Å; I35-F52 HydrophobicContact CG2-CD2 4.31Å; I35-F52 HydrophobicContact CG2-CE2 3.9Å; V46-F52 HydrophobicContact CG1-CB 4.14Å; V46-F52 HydrophobicContact CG1-CD1 3.66Å; V46-F52 HydrophobicContact CG1-CD2 4.27Å; V46-F52 HydrophobicContact CG1-CE1 4.09Å; V46-F52 HydrophobicContact CG1-CG 3.76Å; D48-F52 PolarHBondContact O-N 2.88Å; F52-K54 VanDerWaalsContact C-N 3.34Å; F52-K54 PolarHBondContact O-N 3Å; F52-V56 HydrophobicContact CD2-CB 3.72Å; F52-V56 HydrophobicContact CD2-CG1 3.92Å; F52-V56 HydrophobicContact CD2-CG2 4.07Å; F52-V56 HydrophobicContact CE2-CB 3.93Å; F52-V56 HydrophobicContact CE2-CG1 3.64Å; F52-V56 WeakPolarHBondContact O-CB 3.45Å; F52-V56 PolarHBondContact O-N 3.03Å; F52-L57 HydrophobicContact CD1-CD2 4.41Å; F52-L57 HydrophobicContact CD1-CG 4.2Å; F52-L57 HydrophobicContact CE1-CD1 4.3Å; F52-L57 HydrophobicContact CE1-CD2 3.53Å; F52-L57 HydrophobicContact CE1-CG 3.8Å; F52-L57 HydrophobicContact CZ-CD2 3.64Å; F52-L57 HydrophobicContact CZ-CG 4.21Å; F52-L57 PolarHBondContact O-N 2.95Å; F52-L57 VanDerWaalsContact O-N 3.12Å; F52-M66 HydrophobicContact CD1-CE 4.44Å; F52-M66 HydrophobicContact CD1-SD 3.78Å; F52-M66 HydrophobicContact CE1-CE 4.44Å; F52-M66 HydrophobicContact CE1-SD 3.82Å; F52-F69 AromaticContact CE1-CD1 3.99Å; F52-F69 HydrophobicContact CE1-CD1 3.99Å; F52-F69 AromaticContact CE1-CE1 3.99Å; F52-F69 HydrophobicContact CE1-CE1 3.99Å; F52-F69 HydrophobicContact CE1-CG 4.35Å; F52-F69 HydrophobicContact CE1-CZ 4.36Å; F52-F69 HydrophobicContact CZ-CD1 4.48Å; F52-F69 HydrophobicContact CZ-CE1 4.13Å; F52-F69 HydrophobicContact CZ-CE2 4.35Å; F52-F69 HydrophobicContact CZ-CZ 4.06Å
53A96.7Very high95.8Very high10 Ų1055.9 Ų55.98%0.08327%0.273CS..Iπ-helixtrans-64.7-35.2-179.700000113.5Q49 Q51 L57 N64 M66Q49-A53 WeakPolarHBondContact O-CB 3.36Å; Q49-A53 PolarHBondContact O-N 3.37Å; Q51-A53 VanDerWaalsContact C-N 3.25Å; Q51-A53 PolarHBondContact O-N 3.39Å; A53-L57 HydrophobicContact CB-CD1 4.04Å; A53-N64 WeakPolarHBondContact CB-O 3.37Å; A53-N64 CarbonylContact O-C 3.47Å; A53-N64 VanDerWaalsContact O-CA 3.29Å; A53-N64 WeakPolarHBondContact O-CA 3.42Å; A53-N64 VanDerWaalsContact O-CB 3.29Å; A53-N64 WeakPolarHBondContact O-CB 3.36Å; A53-M66 HydrophobicContact CB-CB 4.23Å
54K96.3Very high95.7Very high161 Ų16160.6 Ų60.670%0.730%0.298SS*.Iπ-helixtrans-83.7-42.6-179-72.2175.2-179177.30113.2G50 Q51 F52 P58G50-K54 WeakPolarHBondContact O-CG 3.39Å; G50-K54 PolarHBondContact O-N 2.78Å; Q51-K54 PolarHBondContact O-N 3.45Å; Q51-K54 VanDerWaalsContact O-N 3.09Å; F52-K54 VanDerWaalsContact C-N 3.34Å; F52-K54 PolarHBondContact O-N 3Å; K54-P58 WeakPolarHBondContact O-CG 3.5Å
55E95.7Very high95.7Very high99 Ų9964.4 Ų64.446%0.46332%0.318SS..Iπ-helixtrans-97.4-32.6-168.2-65.8-179.6-173.100113.5Q51 K59Q51-E55 VanDerWaalsContact CG-CD 3.48Å; Q51-E55 HydrophobicContact CG-CG 4.18Å; Q51-E55 PolarHBondContact NE2-OE1 3.48Å; Q51-E55 PolarHBondContact NE2-OE2 3.36Å; Q51-E55 PolarHBondContact O-N 2.84Å; E55-K59 WeakPolarHBondContact O-CD 3.48Å; E55-K59 WeakPolarHBondContact O-CE 3.4Å
56V96.4Very high95.6Very high7 Ų764.3 Ų64.34%0.04232%0.318CS..Iπ-helixtrans-103.6-48.9-171.5-178.60000111.4L25 T31 L34 F52 K59 Y60L25-V56 HydrophobicContact CD1-CG1 3.35Å; L25-V56 HydrophobicContact CD2-CG1 4.19Å; L25-V56 HydrophobicContact CG-CG1 4.37Å; T31-V56 HydrophobicContact CG2-CG1 4.46Å; L34-V56 HydrophobicContact CB-CG2 4.42Å; L34-V56 HydrophobicContact CD1-CG2 3.61Å; F52-V56 HydrophobicContact CD2-CB 3.72Å; F52-V56 HydrophobicContact CD2-CG1 3.92Å; F52-V56 HydrophobicContact CD2-CG2 4.07Å; F52-V56 HydrophobicContact CE2-CB 3.93Å; F52-V56 HydrophobicContact CE2-CG1 3.64Å; F52-V56 WeakPolarHBondContact O-CB 3.45Å; F52-V56 PolarHBondContact O-N 3.03Å; V56-K59 WeakPolarHBondContact O-CB 3.46Å; V56-K59 PolarHBondContact O-N 3.42Å; V56-Y60 HydrophobicContact CG1-CD2 4.18Å; V56-Y60 HydrophobicContact CG1-CE2 4.25Å
57L96.4Very high95.6Very high0 Ų067.3 Ų67.30%034%0.343CS..Hα-helixtrans-54.5-44.1-176-70.6-177.6000114F52 A53 K59 Y60 F61 H63 F69F52-L57 HydrophobicContact CD1-CD2 4.41Å; F52-L57 HydrophobicContact CD1-CG 4.2Å; F52-L57 HydrophobicContact CE1-CD1 4.3Å; F52-L57 HydrophobicContact CE1-CD2 3.53Å; F52-L57 HydrophobicContact CE1-CG 3.8Å; F52-L57 HydrophobicContact CZ-CD2 3.64Å; F52-L57 HydrophobicContact CZ-CG 4.21Å; F52-L57 PolarHBondContact O-N 2.95Å; F52-L57 VanDerWaalsContact O-N 3.12Å; A53-L57 HydrophobicContact CB-CD1 4.04Å; L57-K59 PolarHBondContact O-N 3.25Å; L57-Y60 PolarHBondContact O-N 2.93Å; L57-F61 HydrophobicContact CD2-CD2 3.83Å; L57-F61 HydrophobicContact CD2-CE2 4.32Å; L57-F61 CarbonylContact O-C 3.56Å; L57-F61 WeakPolarHBondContact O-CA 3.4Å; L57-F61 PolarHBondContact O-N 2.93Å; L57-H63 CarbonylContact C-O 3.6Å; L57-H63 WeakPolarHBondContact CB-O 3.34Å; L57-F69 HydrophobicContact CD1-CB 4.2Å; L57-F69 HydrophobicContact CD2-CB 4Å; L57-F69 HydrophobicContact CD2-CD2 3.74Å; L57-F69 HydrophobicContact CD2-CE2 4.4Å; L57-F69 HydrophobicContact CD2-CG 3.92Å
58P95.9Very high95.7Very high68 Ų6867.3 Ų67.344%0.44235%0.349SS..Hα-helixtrans-64.8-22.4-179.7-24.837.5000114.4K54 F61 N64K54-P58 WeakPolarHBondContact O-CG 3.5Å; P58-F61 CarbonylContact C-O 3.52Å; P58-F61 WeakPolarHBondContact CA-O 3.23Å; P58-N64 HydrophobicContact CG-CB 3.86Å
59K94.9Very high95.9Very high164 Ų16464.3 Ų64.371%0.71333%0.333SS*.Hα-helixtrans-75.8-35.3178.9-62.6177-179.9170.10111.6E55 V56 L57E55-K59 WeakPolarHBondContact O-CD 3.48Å; E55-K59 WeakPolarHBondContact O-CE 3.4Å; V56-K59 WeakPolarHBondContact O-CB 3.46Å; V56-K59 PolarHBondContact O-N 3.42Å; L57-K59 PolarHBondContact O-N 3.25Å
60Y95Very high96Very high44 Ų4463 Ų6317%0.17333%0.329CS..Hα-helixtrans-103.7-31.4-175.9-66.3-102.3000112.9K21 L25 D28 V56 L57K21-Y60 WeakPolarHBondContact CD-O 3.44Å; K21-Y60 WeakPolarHBondContact CE-O 3.45Å; K21-Y60 PolarHBondContact NZ-O 3.49Å; L25-Y60 HydrophobicContact CB-CD1 3.94Å; L25-Y60 HydrophobicContact CB-CE1 3.92Å; L25-Y60 HydrophobicContact CB-CG 4.4Å; L25-Y60 HydrophobicContact CD1-CD1 4.24Å; L25-Y60 HydrophobicContact CD1-CD2 3.7Å; L25-Y60 HydrophobicContact CD1-CE1 3.99Å; L25-Y60 HydrophobicContact CD1-CE2 3.44Å; L25-Y60 VanDerWaalsContact CD1-CE2 3.44Å; L25-Y60 HydrophobicContact CD1-CG 4.12Å; D28-Y60 PolarHBondContact OD2-OH 3.36Å; V56-Y60 HydrophobicContact CG1-CD2 4.18Å; V56-Y60 HydrophobicContact CG1-CE2 4.25Å; L57-Y60 PolarHBondContact O-N 2.93Å
61F95.9Very high96.1Very high23 Ų2369.1 Ų69.110%0.10134%0.337CS..SBendtrans-128.6158.2-173.7-55.7-73000111.8F18 K21 L25 L57 P58 H63 F69F18-F61 HydrophobicContact CD2-CD1 4.29Å; F18-F61 AromaticContact CD2-CE1 3.49Å; F18-F61 HydrophobicContact CD2-CE1 3.49Å; F18-F61 VanDerWaalsContact CD2-CE1 3.49Å; F18-F61 AromaticContact CD2-CZ 3.93Å; F18-F61 HydrophobicContact CD2-CZ 3.93Å; F18-F61 AromaticContact CE2-CE1 3.92Å; F18-F61 HydrophobicContact CE2-CE1 3.92Å; F18-F61 AromaticContact CE2-CZ 3.92Å; F18-F61 HydrophobicContact CE2-CZ 3.92Å; F18-F61 HydrophobicContact CG-CE1 4.48Å; K21-F61 HydrophobicContact CB-CE1 3.9Å; K21-F61 HydrophobicContact CB-CZ 4Å; K21-F61 HydrophobicContact CD-CD1 4.34Å; K21-F61 HydrophobicContact CD-CE1 4.08Å; L25-F61 HydrophobicContact CD2-CE2 4.28Å; L57-F61 HydrophobicContact CD2-CD2 3.83Å; L57-F61 HydrophobicContact CD2-CE2 4.32Å; L57-F61 CarbonylContact O-C 3.56Å; L57-F61 WeakPolarHBondContact O-CA 3.4Å; L57-F61 PolarHBondContact O-N 2.93Å; P58-F61 CarbonylContact C-O 3.52Å; P58-F61 WeakPolarHBondContact CA-O 3.23Å; F61-H63 PolarHBondContact O-N 3.01Å; F61-F69 HydrophobicContact CD2-CD2 4.45Å; F61-F69 HydrophobicContact CE2-CD2 4.03Å; F61-F69 AromaticContact CE2-CE2 3.96Å; F61-F69 HydrophobicContact CE2-CE2 3.96Å; F61-F69 HydrophobicContact CZ-CE2 4.37Å
62K95.3Very high96.2Very high219 Ų21967.5 Ų67.595%0.95233%0.33SS*.SBendtrans-84.637.8-177.2-60.9-175.3178.6-175.80113.1
63H96.3Very high96.2Very high56 Ų5667.5 Ų67.526%0.25933%0.33SS..  trans-162.3161.3177.159.175.5000110.3L57 F61 N65L57-H63 CarbonylContact C-O 3.6Å; L57-H63 WeakPolarHBondContact CB-O 3.34Å; F61-H63 PolarHBondContact O-N 3.01Å; H63-N65 PolarHBondContact ND1-O 3.18Å
64N96.1Very high96.2Very high101 Ų10170.9 Ų70.954%0.5435%0.346SS..  trans-11112.9172.368-13000112.4A53 P58A53-N64 WeakPolarHBondContact CB-O 3.37Å; A53-N64 CarbonylContact O-C 3.47Å; A53-N64 VanDerWaalsContact O-CA 3.29Å; A53-N64 WeakPolarHBondContact O-CA 3.42Å; A53-N64 VanDerWaalsContact O-CB 3.29Å; A53-N64 WeakPolarHBondContact O-CB 3.36Å; P58-N64 HydrophobicContact CG-CB 3.86Å
65N96.6Very high96.1Very high80 Ų8065 Ų6543%0.42832%0.322SS..  trans-94.1118-174.6-173.5-16.3000111.6H63 A67 S68 F69H63-N65 PolarHBondContact ND1-O 3.18Å; N65-A67 VanDerWaalsContact C-N 3.3Å; N65-A67 PolarHBondContact O-N 2.92Å; N65-A67 WeakPolarHBondContact OD1-CB 3.43Å; N65-A67 PolarHBondContact OD1-N 2.92Å; N65-S68 PolarHBondContact O-N 3.41Å; N65-F69 PolarHBondContact O-N 3.43Å
66M96.5Very high96.2Very high21 Ų2161 Ų6110%0.10330%0.303CS..Hα-helixtrans-58.9-37.7176.8-172.255.517900112.9V46 Q49 F52 A53 S68 F69 V70V46-M66 HydrophobicContact CG1-CE 3.99Å; Q49-M66 HydrophobicContact CB-CG 4.35Å; Q49-M66 HydrophobicContact CG-CE 4.11Å; F52-M66 HydrophobicContact CD1-CE 4.44Å; F52-M66 HydrophobicContact CD1-SD 3.78Å; F52-M66 HydrophobicContact CE1-CE 4.44Å; F52-M66 HydrophobicContact CE1-SD 3.82Å; A53-M66 HydrophobicContact CB-CB 4.23Å; M66-S68 VanDerWaalsContact C-N 3.27Å; M66-S68 PolarHBondContact O-N 3.29Å; M66-F69 HydrophobicContact CE-CD1 3.99Å; M66-F69 HydrophobicContact CE-CE1 4.41Å; M66-F69 WeakPolarHBondContact O-CB 3.26Å; M66-F69 PolarHBondContact O-N 2.84Å; M66-F69 VanDerWaalsContact O-N 3.12Å; M66-F69 HydrophobicContact SD-CB 4.39Å; M66-F69 HydrophobicContact SD-CD1 3.83Å; M66-V70 HydrophobicContact CE-CG2 3.91Å; M66-V70 HydrophobicContact CG-CG2 4.37Å; M66-V70 WeakPolarHBondContact O-CG2 3.48Å; M66-V70 PolarHBondContact O-N 3.45Å; M66-V70 HydrophobicContact SD-CG2 4.42Å
67A96.5Very high96.1Very high64 Ų6461.2 Ų61.253%0.52931%0.306SS..Hα-helixtrans-63.6-33.6179.200000112.5N65 R71N65-A67 VanDerWaalsContact C-N 3.3Å; N65-A67 PolarHBondContact O-N 2.92Å; N65-A67 WeakPolarHBondContact OD1-CB 3.43Å; N65-A67 PolarHBondContact OD1-N 2.92Å; A67-R71 VanDerWaalsContact O-CB 3.3Å; A67-R71 WeakPolarHBondContact O-CB 3.46Å; A67-R71 PolarHBondContact O-N 3.27Å
68S96.1Very high96.2Very high45 Ų4561.2 Ų61.232%0.31531%0.306SS..Hα-helixtrans-69.6-37.8175.5-66.60000111.6N65 M66 R71 Q72N65-S68 PolarHBondContact O-N 3.41Å; M66-S68 VanDerWaalsContact C-N 3.27Å; M66-S68 PolarHBondContact O-N 3.29Å; S68-R71 PolarHBondContact O-N 3.07Å; S68-Q72 WeakPolarHBondContact O-CG 3.44Å; S68-Q72 PolarHBondContact O-N 3.18Å; S68-Q72 VanDerWaalsContact O-N 3.14Å
69F97.5Very high96.2Very high0 Ų065 Ų650%031%0.312CS..Hα-helixtrans-62.7-50.6173.2177.2-105.3000111.6F18 L22 F44 V46 F52 L57 F61 N65 M66 R71 Q72 L73F18-F69 HydrophobicContact CE2-CD2 4.22Å; F18-F69 HydrophobicContact CE2-CE2 4.29Å; F18-F69 HydrophobicContact CZ-CE2 4.41Å; L22-F69 HydrophobicContact CD1-CE2 3.78Å; L22-F69 HydrophobicContact CD1-CZ 3.62Å; F44-F69 HydrophobicContact CE2-CZ 4.47Å; V46-F69 HydrophobicContact CG2-CE1 4.47Å; F52-F69 AromaticContact CE1-CD1 3.99Å; F52-F69 HydrophobicContact CE1-CD1 3.99Å; F52-F69 AromaticContact CE1-CE1 3.99Å; F52-F69 HydrophobicContact CE1-CE1 3.99Å; F52-F69 HydrophobicContact CE1-CG 4.35Å; F52-F69 HydrophobicContact CE1-CZ 4.36Å; F52-F69 HydrophobicContact CZ-CD1 4.48Å; F52-F69 HydrophobicContact CZ-CE1 4.13Å; F52-F69 HydrophobicContact CZ-CE2 4.35Å; F52-F69 HydrophobicContact CZ-CZ 4.06Å; L57-F69 HydrophobicContact CD1-CB 4.2Å; L57-F69 HydrophobicContact CD2-CB 4Å; L57-F69 HydrophobicContact CD2-CD2 3.74Å; L57-F69 HydrophobicContact CD2-CE2 4.4Å; L57-F69 HydrophobicContact CD2-CG 3.92Å; F61-F69 HydrophobicContact CD2-CD2 4.45Å; F61-F69 HydrophobicContact CE2-CD2 4.03Å; F61-F69 AromaticContact CE2-CE2 3.96Å; F61-F69 HydrophobicContact CE2-CE2 3.96Å; F61-F69 HydrophobicContact CZ-CE2 4.37Å; N65-F69 PolarHBondContact O-N 3.43Å; M66-F69 HydrophobicContact CE-CD1 3.99Å; M66-F69 HydrophobicContact CE-CE1 4.41Å; M66-F69 WeakPolarHBondContact O-CB 3.26Å; M66-F69 PolarHBondContact O-N 2.84Å; M66-F69 VanDerWaalsContact O-N 3.12Å; M66-F69 HydrophobicContact SD-CB 4.39Å; M66-F69 HydrophobicContact SD-CD1 3.83Å; F69-R71 VanDerWaalsContact C-N 3.3Å; F69-R71 PolarHBondContact O-N 3.21Å; F69-Q72 WeakPolarHBondContact O-CB 3.42Å; F69-Q72 PolarHBondContact O-N 3.34Å; F69-Q72 VanDerWaalsContact O-N 3.09Å; F69-L73 HydrophobicContact CD1-CD1 4.04Å; F69-L73 HydrophobicContact CE1-CD1 3.58Å; F69-L73 HydrophobicContact CE1-CG 4.27Å; F69-L73 HydrophobicContact CZ-CD1 4.06Å; F69-L73 HydrophobicContact CZ-CD2 4.47Å; F69-L73 HydrophobicContact CZ-CG 4.39Å; F69-L73 PolarHBondContact O-N 3.01Å; F69-L73 VanDerWaalsContact O-N 3.07Å
70V96.7Very high96.3Very high35 Ų3563 Ų6321%0.21230%0.303CS..Hα-helixtrans-61.8-37.4177.51760000111.8M66 Q72 L73 N74 F99M66-V70 HydrophobicContact CE-CG2 3.91Å; M66-V70 HydrophobicContact CG-CG2 4.37Å; M66-V70 WeakPolarHBondContact O-CG2 3.48Å; M66-V70 PolarHBondContact O-N 3.45Å; M66-V70 HydrophobicContact SD-CG2 4.42Å; V70-Q72 VanDerWaalsContact C-N 3.33Å; V70-Q72 PolarHBondContact O-N 3.46Å; V70-L73 WeakPolarHBondContact O-CB 3.38Å; V70-L73 PolarHBondContact O-N 2.97Å; V70-N74 VanDerWaalsContact O-CG 3.31Å; V70-N74 PolarHBondContact O-N 3.41Å; V70-N74 PolarHBondContact O-ND2 3.15Å; V70-F99 HydrophobicContact CG1-CE1 4.42Å; V70-F99 HydrophobicContact CG1-CZ 4.45Å; V70-F99 HydrophobicContact CG2-CZ 3.92Å
71R95.8Very high96.2Very high174 Ų17462.9 Ų62.966%0.65731%0.307SS*.Hα-helixtrans-58.8-44.8173.8-177.8179.2-178.6-176.73111.5A67 S68 F69 N74 M75A67-R71 VanDerWaalsContact O-CB 3.3Å; A67-R71 WeakPolarHBondContact O-CB 3.46Å; A67-R71 PolarHBondContact O-N 3.27Å; S68-R71 PolarHBondContact O-N 3.07Å; F69-R71 VanDerWaalsContact C-N 3.3Å; F69-R71 PolarHBondContact O-N 3.21Å; R71-N74 PolarHBondContact O-N 3.26Å; R71-M75 WeakPolarHBondContact O-CG 3.47Å; R71-M75 PolarHBondContact O-N 3.49Å
72Q96.3Very high95.7Very high47 Ų4766.9 Ų66.922%0.2233%0.333CS..Hα-helixtrans-61.8-46.3177.1-70.5-74.5100.700110.8F18 S68 F69 V70 N74 M75 Y76F18-Q72 HydrophobicContact CD1-CB 4.33Å; F18-Q72 HydrophobicContact CD2-CB 3.75Å; F18-Q72 HydrophobicContact CD2-CG 4.11Å; F18-Q72 HydrophobicContact CE1-CB 3.95Å; F18-Q72 HydrophobicContact CE2-CB 3.33Å; F18-Q72 HydrophobicContact CE2-CG 4.05Å; F18-Q72 HydrophobicContact CG-CB 4.24Å; F18-Q72 HydrophobicContact CZ-CB 3.44Å; F18-Q72 VanDerWaalsContact CZ-CB 3.44Å; S68-Q72 WeakPolarHBondContact O-CG 3.44Å; S68-Q72 PolarHBondContact O-N 3.18Å; S68-Q72 VanDerWaalsContact O-N 3.14Å; F69-Q72 WeakPolarHBondContact O-CB 3.42Å; F69-Q72 PolarHBondContact O-N 3.34Å; F69-Q72 VanDerWaalsContact O-N 3.09Å; V70-Q72 VanDerWaalsContact C-N 3.33Å; V70-Q72 PolarHBondContact O-N 3.46Å; Q72-N74 VanDerWaalsContact C-N 3.34Å; Q72-N74 PolarHBondContact O-N 3.14Å; Q72-M75 PolarHBondContact O-N 3.15Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.29Å; Q72-Y76 PolarHBondContact O-N 3.4Å; Q72-Y76 VanDerWaalsContact O-N 3.1Å
73L97.3Very high94.9Very high0 Ų060.6 Ų60.60%031%0.307CS..Hα-helixtrans-53-50.3173.8-68.8178.7000112F18 L22 F44 F69 V70 M75 Y76 G77 F78 F99F18-L73 HydrophobicContact CE1-CD2 4.15Å; F18-L73 HydrophobicContact CZ-CD2 3.86Å; F18-L73 HydrophobicContact CZ-CG 4.21Å; L22-L73 HydrophobicContact CD2-CD2 3.51Å; F44-L73 HydrophobicContact CE1-CD2 4.42Å; F44-L73 HydrophobicContact CZ-CD1 3.98Å; F44-L73 HydrophobicContact CZ-CD2 3.84Å; F69-L73 HydrophobicContact CD1-CD1 4.04Å; F69-L73 HydrophobicContact CE1-CD1 3.58Å; F69-L73 HydrophobicContact CE1-CG 4.27Å; F69-L73 HydrophobicContact CZ-CD1 4.06Å; F69-L73 HydrophobicContact CZ-CD2 4.47Å; F69-L73 HydrophobicContact CZ-CG 4.39Å; F69-L73 PolarHBondContact O-N 3.01Å; F69-L73 VanDerWaalsContact O-N 3.07Å; V70-L73 WeakPolarHBondContact O-CB 3.38Å; V70-L73 PolarHBondContact O-N 2.97Å; L73-M75 VanDerWaalsContact C-N 3.32Å; L73-M75 PolarHBondContact O-N 3.23Å; L73-Y76 CarbonylContact O-C 3.57Å; L73-Y76 PolarHBondContact O-N 3.22Å; L73-G77 PolarHBondContact O-N 3.09Å; L73-G77 VanDerWaalsContact O-N 3.12Å; L73-F78 HydrophobicContact CB-CB 3.92Å; L73-F78 HydrophobicContact CB-CD2 4.43Å; L73-F78 HydrophobicContact CB-CG 4.29Å; L73-F78 HydrophobicContact CD2-CB 4.35Å; L73-F78 HydrophobicContact CD2-CD1 4.11Å; L73-F78 HydrophobicContact CD2-CD2 3.94Å; L73-F78 HydrophobicContact CD2-CE1 4.42Å; L73-F78 HydrophobicContact CD2-CE2 4.26Å; L73-F78 HydrophobicContact CD2-CG 3.87Å; L73-F78 HydrophobicContact CD2-CZ 4.49Å; L73-F78 WeakPolarHBondContact O-CB 3.43Å; L73-F78 WeakPolarHBondContact O-CD2 3.35Å; L73-F78 PolarHBondContact O-N 3.49Å; L73-F78 VanDerWaalsContact O-N 3.08Å; L73-F99 HydrophobicContact CD1-CB 4.41Å; L73-F99 HydrophobicContact CD1-CD1 3.86Å; L73-F99 HydrophobicContact CD1-CD2 3.82Å; L73-F99 HydrophobicContact CD1-CE1 4Å; L73-F99 HydrophobicContact CD1-CE2 3.95Å; L73-F99 HydrophobicContact CD1-CG 3.77Å; L73-F99 HydrophobicContact CD1-CZ 4.05Å
74N96.3Very high93.7Very high80 Ų8064.6 Ų64.643%0.42833%0.329SS..Hα-helixtrans-60.3-40.1179.7-72.3-21.6000112.6V70 R71 Q72 Y76 G77V70-N74 VanDerWaalsContact O-CG 3.31Å; V70-N74 PolarHBondContact O-N 3.41Å; V70-N74 PolarHBondContact O-ND2 3.15Å; R71-N74 PolarHBondContact O-N 3.26Å; Q72-N74 VanDerWaalsContact C-N 3.34Å; Q72-N74 PolarHBondContact O-N 3.14Å; N74-Y76 VanDerWaalsContact C-N 3.28Å; N74-Y76 PolarHBondContact O-N 2.9Å; N74-G77 PolarHBondContact O-N 3.22Å; N74-G77 VanDerWaalsContact O-N 3.09Å
75M94.9Very high92.3Very high39 Ų3968.9 Ų68.919%0.19235%0.346CS..Hα-helixtrans-65.3-30.1176-70.2-171.983.900112.8R71 Q72 L73 G77 R117 K118R71-M75 WeakPolarHBondContact O-CG 3.47Å; R71-M75 PolarHBondContact O-N 3.49Å; Q72-M75 PolarHBondContact O-N 3.15Å; L73-M75 VanDerWaalsContact C-N 3.32Å; L73-M75 PolarHBondContact O-N 3.23Å; M75-G77 VanDerWaalsContact C-N 3.29Å; M75-R117 HydrophobicContact CB-CG 4.26Å; M75-R117 HydrophobicContact CE-CG 4.42Å; M75-R117 VanDerWaalsContact CE-CZ 3.45Å; M75-R117 VanDerWaalsContact CE-NE 3.26Å; M75-R117 VanDerWaalsContact CE-NH2 3.26Å; M75-R117 PolarHBondContact SD-NH2 3.06Å; M75-K118 WeakPolarHBondContact O-CB 3.46Å; M75-K118 WeakPolarHBondContact O-CG 3.23Å; M75-K118 PolarHBondContact O-N 3.48Å
76Y96.8Very high90.4Very high15 Ų1570.7 Ų70.76%0.05935%0.351CS..THydrogen-bonded Turntrans-88.14.1174-72.9-73.2000113.5P16 F18 L19 Q72 L73 N74 I115 R117P16-Y76 HydrophobicContact CB-CE1 3.97Å; P16-Y76 WeakPolarHBondContact CB-OH 3.26Å; P16-Y76 HydrophobicContact CG-CE1 3.87Å; F18-Y76 HydrophobicContact CB-CE2 3.95Å; F18-Y76 AromaticContact CD1-CD2 3.28Å; F18-Y76 HydrophobicContact CD1-CD2 3.28Å; F18-Y76 AromaticContact CD1-CE2 3.27Å; F18-Y76 HydrophobicContact CD1-CE2 3.27Å; F18-Y76 HydrophobicContact CD1-CG 4.27Å; F18-Y76 AromaticContact CE1-CD2 3.58Å; F18-Y76 HydrophobicContact CE1-CD2 3.58Å; F18-Y76 HydrophobicContact CE1-CE2 4.03Å; F18-Y76 HydrophobicContact CE1-CG 4.49Å; F18-Y76 HydrophobicContact CG-CD2 4.25Å; F18-Y76 AromaticContact CG-CE2 3.82Å; F18-Y76 HydrophobicContact CG-CE2 3.82Å; L19-Y76 HydrophobicContact CD1-CD1 3.95Å; L19-Y76 HydrophobicContact CD1-CE1 4.09Å; L19-Y76 HydrophobicContact CD2-CD1 4.08Å; L19-Y76 HydrophobicContact CD2-CD2 4.26Å; L19-Y76 HydrophobicContact CD2-CG 3.9Å; L19-Y76 HydrophobicContact CG-CD1 4.12Å; L19-Y76 HydrophobicContact CG-CE1 4.2Å; L19-Y76 HydrophobicContact CG-CG 4.37Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.29Å; Q72-Y76 PolarHBondContact O-N 3.4Å; Q72-Y76 VanDerWaalsContact O-N 3.1Å; L73-Y76 CarbonylContact O-C 3.57Å; L73-Y76 PolarHBondContact O-N 3.22Å; N74-Y76 VanDerWaalsContact C-N 3.28Å; N74-Y76 PolarHBondContact O-N 2.9Å; Y76-I115 HydrophobicContact CD1-CG2 4.08Å; Y76-I115 HydrophobicContact CG-CG2 4.43Å; Y76-I115 WeakPolarHBondContact O-CG2 3.26Å; Y76-R117 HydrophobicContact CD1-CB 4.07Å; Y76-R117 HydrophobicContact CD1-CG 4.45Å; Y76-R117 HydrophobicContact CE1-CB 3.65Å; Y76-R117 HydrophobicContact CE1-CG 4.06Å
77G95.8Very high88.3Confident11 Ų1172.3 Ų72.311%0.11337%0.374CS..THydrogen-bonded Turntrans859.6173.600000115.3L73 N74 M75L73-G77 PolarHBondContact O-N 3.09Å; L73-G77 VanDerWaalsContact O-N 3.12Å; N74-G77 PolarHBondContact O-N 3.22Å; N74-G77 VanDerWaalsContact O-N 3.09Å; M75-G77 VanDerWaalsContact C-N 3.29Å
78F97.8Very high86.5Confident0 Ų073.6 Ų73.60%039%0.393CS..  trans-60.6152.3170.5-70.8-102.3000110.7L19 L22 F44 L73 Q100 H101 F104 I115L19-F78 HydrophobicContact CD2-CE2 3.88Å; L19-F78 HydrophobicContact CD2-CZ 4.27Å; L22-F78 HydrophobicContact CD2-CE1 4.26Å; L22-F78 HydrophobicContact CD2-CE2 4.36Å; L22-F78 HydrophobicContact CD2-CZ 3.87Å; F44-F78 AromaticContact CE1-CD1 3.9Å; F44-F78 HydrophobicContact CE1-CD1 3.9Å; F44-F78 AromaticContact CE1-CE1 3.76Å; F44-F78 HydrophobicContact CE1-CE1 3.76Å; L73-F78 HydrophobicContact CB-CB 3.92Å; L73-F78 HydrophobicContact CB-CD2 4.43Å; L73-F78 HydrophobicContact CB-CG 4.29Å; L73-F78 HydrophobicContact CD2-CB 4.35Å; L73-F78 HydrophobicContact CD2-CD1 4.11Å; L73-F78 HydrophobicContact CD2-CD2 3.94Å; L73-F78 HydrophobicContact CD2-CE1 4.42Å; L73-F78 HydrophobicContact CD2-CE2 4.26Å; L73-F78 HydrophobicContact CD2-CG 3.87Å; L73-F78 HydrophobicContact CD2-CZ 4.49Å; L73-F78 WeakPolarHBondContact O-CB 3.43Å; L73-F78 WeakPolarHBondContact O-CD2 3.35Å; L73-F78 PolarHBondContact O-N 3.49Å; L73-F78 VanDerWaalsContact O-N 3.08Å; F78-Q100 WeakPolarHBondContact CA-O 3.46Å; F78-H101 HydrophobicContact CD1-CB 3.54Å; F78-H101 HydrophobicContact CD2-CB 4.31Å; F78-H101 HydrophobicContact CE1-CB 3.54Å; F78-H101 HydrophobicContact CE2-CB 4.31Å; F78-H101 HydrophobicContact CG-CB 3.94Å; F78-H101 HydrophobicContact CZ-CB 3.95Å; F78-F104 HydrophobicContact CE1-CB 3.78Å; F78-F104 AromaticContact CE1-CD1 3.84Å; F78-F104 HydrophobicContact CE1-CD1 3.84Å; F78-F104 HydrophobicContact CE1-CD2 4.05Å; F78-F104 HydrophobicContact CE1-CE1 4.44Å; F78-F104 AromaticContact CE1-CG 3.62Å; F78-F104 HydrophobicContact CE1-CG 3.62Å; F78-F104 HydrophobicContact CZ-CB 3.87Å; F78-F104 HydrophobicContact CZ-CD1 4.29Å; F78-F104 AromaticContact CZ-CD2 3.64Å; F78-F104 HydrophobicContact CZ-CD2 3.64Å; F78-F104 HydrophobicContact CZ-CE2 4.25Å; F78-F104 AromaticContact CZ-CG 3.67Å; F78-F104 HydrophobicContact CZ-CG 3.67Å; F78-I115 HydrophobicContact CE2-CG2 4.49Å; F78-I115 HydrophobicContact CZ-CD1 4.32Å
79R96.8Very high84.9Confident146 Ų14679.6 Ų79.655%0.55142%0.421SS*.EExtended strand (participates in β ladder)trans-123.4137.1178.6-57.8-60.8-179.7-147.520.2109.2F99 Q100R79-F99 CarbonylContact O-C 3.58Å; R79-F99 VanDerWaalsContact O-CA 3.32Å; R79-F99 WeakPolarHBondContact O-CA 3.47Å; R79-Q100 PolarHBondContact N-O 3.19Å; R79-Q100 PolarHBondContact O-N 3.46Å
80K96.1Very high83.2Confident122 Ų12285.1 Ų85.153%0.5345%0.454SS..EExtended strand (participates in β ladder)trans-75.2126.6169.4179.2171.6172.2166.30108.2T97 E98 F99K80-T97 HydrophobicContact CD-CG2 3.94Å; K80-T97 HydrophobicContact CG-CG2 4.19Å; K80-E98 CarbonylContact C-O 3.51Å; K80-E98 WeakPolarHBondContact CA-O 3.45Å; K80-F99 HydrophobicContact CB-CD1 4.14Å; K80-F99 HydrophobicContact CB-CE1 3.95Å; K80-F99 HydrophobicContact CG-CE1 4.44Å
81V93.5Very high81.5Confident42 Ų4291.9 Ų91.926%0.25548%0.481SS..EExtended strand (participates in β ladder)trans-82.9130.2172.3-176.50000107.3E98 Q100V81-E98 HydrophobicContact CB-CB 4.02Å; V81-E98 HydrophobicContact CB-CG 3.99Å; V81-E98 HydrophobicContact CG2-CB 4.46Å; V81-E98 HydrophobicContact CG2-CG 3.93Å; V81-E98 PolarHBondContact N-O 3.13Å; V81-Q100 HydrophobicContact CG2-CB 3.92Å
82V84.9Confident79.9Confident107 Ų10785.9 Ų85.965%0.64846%0.464SS*.  trans-104.3112-178.5-179.50000108.1I84V82-I84 PolarHBondContact O-N 3.32Å
83H78.6Confident78.5Confident88 Ų8891.8 Ų91.841%0.40749%0.492SS..  trans-79.1110.2172.2-62.8117.3000109.1E85 E98H83-E85 VanDerWaalsContact C-N 3.28Å; H83-E98 IonicContact CE1-OE2 3.13Å; H83-E98 PolarHBondContact CE1-OE2 3.02Å; H83-E98 IonicContact NE2-OE2 3.08Å; H83-E98 PolarHBondContact NE2-OE2 3.47Å; H83-E98 VanDerWaalsContact NE2-OE2 3.08Å
84I71.8Confident77.4Confident139 Ų13999 Ų9971%0.71352%0.519SS*.THydrogen-bonded Turntrans-80.5-13.9-176.4-56.6172.4000111.3V82 Q86V82-I84 PolarHBondContact O-N 3.32Å; I84-Q86 VanDerWaalsContact C-N 3.28Å; I84-Q86 PolarHBondContact O-N 2.91Å
85E65.9Low76.8Confident192 Ų19299 Ų9990%0.89752%0.519SS*.THydrogen-bonded Turntrans-77.5-8.6-167.8-57.6-170.5170.100114.7H83H83-E85 VanDerWaalsContact C-N 3.28Å
86Q56Low76.6Confident117 Ų117100 Ų10055%0.54753%0.525SS..SBendtrans-10482.9178.2-67170.5-8.100108.9I84 G88I84-Q86 VanDerWaalsContact C-N 3.28Å; I84-Q86 PolarHBondContact O-N 2.91Å; Q86-G88 PolarHBondContact O-N 2.89Å
87G54.1Low76.5Confident56 Ų5699.6 Ų99.658%0.57753%0.525SS*.  trans-48.9126.617100000110L89 V90G87-L89 PolarHBondContact O-N 3.41Å; G87-V90 PolarHBondContact O-N 3.41Å
88G57.1Low76.5Confident91 Ų91100 Ų10094%0.93852%0.523SS*.THydrogen-bonded Turntrans-63.615.9-166.700000117.4Q86Q86-G88 PolarHBondContact O-N 2.89Å
89L62.5Low76.5Confident171 Ų171100.2 Ų100.290%0.89552%0.524SS*.THydrogen-bonded Turntrans-95-21.5175.8-157.170.3000112.8G87G87-L89 PolarHBondContact O-N 3.41Å
90V61.6Low76.5Confident115 Ų11596.6 Ų96.670%0.69751%0.514SS*.SBendtrans-111.6106.7173.4-174.60000107.1G87 P92G87-V90 PolarHBondContact O-N 3.41Å; V90-P92 WeakPolarHBondContact O-CD 3.42Å; V90-P92 VanDerWaalsContact O-N 3.1Å
91K60.9Low76.6Confident178 Ų17892 Ų9277%0.77449%0.494SS*.  trans-52.6120.1174.5-172.4172.8-179.8179.30107.6E93K91-E93 PolarHBondContact O-N 3.14Å
92P64.1Low76.7Confident47 Ų4795 Ų9531%0.30551%0.514SS..  trans-55.6136.9175.921.7-30.6000108.2V90 R94V90-P92 WeakPolarHBondContact O-CD 3.42Å; V90-P92 VanDerWaalsContact O-N 3.1Å; P92-R94 PolarHBondContact O-N 3.07Å
93E66.7Low77.3Confident171 Ų17191.5 Ų91.580%0.79949%0.494SS*.SBendtrans-52.2-28.1-177.4-172.4-166.513500111.3K91K91-E93 PolarHBondContact O-N 3.14Å
94R72.7Confident78.1Confident151 Ų15187.3 Ų87.357%0.5748%0.475SS*.SBendtrans-136.9141.5-177.9-55.3-172.9-171.3-1781110.7P92 D96P92-R94 PolarHBondContact O-N 3.07Å; R94-D96 VanDerWaalsContact C-N 3.29Å; R94-D96 PolarHBondContact O-N 3.49Å
95D84.1Confident79.3Confident82 Ų8282.5 Ų82.544%0.43945%0.451SS..  trans-72.882.8173.9-73.3-24.1000109.4F47 D48F47-D95 WeakPolarHBondContact CA-O 3.28Å; D48-D95 PolarHBondContact N-O 3.37Å
96D91Very high80.8Confident59 Ų5979.6 Ų79.632%0.31643%0.431SS..  trans-89.4124176.1-176.24.3000110.8H45 F47 R94H45-D96 IonicContact CE1-OD2 2.88Å; H45-D96 IonicContact CG-OD1 3.62Å; H45-D96 IonicContact ND1-OD1 3.98Å; H45-D96 PolarHBondContact ND1-OD1 3.33Å; H45-D96 IonicContact ND1-OD2 3.63Å; H45-D96 PolarHBondContact ND1-OD2 2.86Å; F47-D96 HydrophobicContact CD1-CB 4Å; F47-D96 HydrophobicContact CE1-CB 3.94Å; R94-D96 VanDerWaalsContact C-N 3.29Å; R94-D96 PolarHBondContact O-N 3.49Å
97T93.7Very high82.6Confident7 Ų777 Ų774%0.04344%0.436CS..EExtended strand (participates in β ladder)trans-130117.3172.6-65.10000111V46 Q49 K80 F99V46-T97 PolarHBondContact N-O 3.06Å; V46-T97 PolarHBondContact O-N 3.26Å; Q49-T97 PolarHBondContact NE2-OG1 2.83Å; K80-T97 HydrophobicContact CD-CG2 3.94Å; K80-T97 HydrophobicContact CG-CG2 4.19Å; T97-F99 HydrophobicContact CG2-CD2 4.18Å; T97-F99 HydrophobicContact CG2-CE1 4.44Å; T97-F99 HydrophobicContact CG2-CE2 3.46Å; T97-F99 VanDerWaalsContact CG2-CE2 3.46Å; T97-F99 HydrophobicContact CG2-CZ 3.6Å
98E96.5Very high84.4Confident19 Ų1978 Ų789%0.08943%0.426CS..EExtended strand (participates in β ladder)trans-97.2138.2179.2-178-176.5179.200112.1S43 F44 H45 K80 V81 H83S43-E98 WeakPolarHBondContact CB-OE1 3.46Å; S43-E98 PolarHBondContact OG-OE1 3.35Å; F44-E98 WeakPolarHBondContact O-CA 3.5Å; H45-E98 IonicContact CE1-OE2 3.26Å; H45-E98 IonicContact NE2-OE2 3.86Å; K80-E98 CarbonylContact C-O 3.51Å; K80-E98 WeakPolarHBondContact CA-O 3.45Å; V81-E98 HydrophobicContact CB-CB 4.02Å; V81-E98 HydrophobicContact CB-CG 3.99Å; V81-E98 HydrophobicContact CG2-CB 4.46Å; V81-E98 HydrophobicContact CG2-CG 3.93Å; V81-E98 PolarHBondContact N-O 3.13Å; H83-E98 IonicContact CE1-OE2 3.13Å; H83-E98 PolarHBondContact CE1-OE2 3.02Å; H83-E98 IonicContact NE2-OE2 3.08Å; H83-E98 PolarHBondContact NE2-OE2 3.47Å; H83-E98 VanDerWaalsContact NE2-OE2 3.08Å
99F97.9Very high86.2Confident5 Ų578 Ų782%0.02240%0.401CS..EExtended strand (participates in β ladder)trans-124.7141.1172.6-64.3-82.8000111.5S43 F44 V46 V70 L73 R79 K80 T97S43-F99 WeakPolarHBondContact CA-O 3.34Å; S43-F99 WeakPolarHBondContact CB-O 3.39Å; F44-F99 HydrophobicContact CD1-CB 4.38Å; F44-F99 HydrophobicContact CE1-CB 3.75Å; F44-F99 HydrophobicContact CE2-CB 4.01Å; F44-F99 AromaticContact CE2-CD2 3.89Å; F44-F99 HydrophobicContact CE2-CD2 3.89Å; F44-F99 HydrophobicContact CE2-CG 4.37Å; F44-F99 HydrophobicContact CZ-CB 3.55Å; F44-F99 HydrophobicContact CZ-CD2 4.09Å; F44-F99 HydrophobicContact CZ-CG 4.13Å; F44-F99 PolarHBondContact N-O 3.31Å; F44-F99 PolarHBondContact O-N 3.44Å; V46-F99 HydrophobicContact CG2-CD2 4.32Å; V46-F99 HydrophobicContact CG2-CE2 4.36Å; V70-F99 HydrophobicContact CG1-CE1 4.42Å; V70-F99 HydrophobicContact CG1-CZ 4.45Å; V70-F99 HydrophobicContact CG2-CZ 3.92Å; L73-F99 HydrophobicContact CD1-CB 4.41Å; L73-F99 HydrophobicContact CD1-CD1 3.86Å; L73-F99 HydrophobicContact CD1-CD2 3.82Å; L73-F99 HydrophobicContact CD1-CE1 4Å; L73-F99 HydrophobicContact CD1-CE2 3.95Å; L73-F99 HydrophobicContact CD1-CG 3.77Å; L73-F99 HydrophobicContact CD1-CZ 4.05Å; R79-F99 CarbonylContact O-C 3.58Å; R79-F99 VanDerWaalsContact O-CA 3.32Å; R79-F99 WeakPolarHBondContact O-CA 3.47Å; K80-F99 HydrophobicContact CB-CD1 4.14Å; K80-F99 HydrophobicContact CB-CE1 3.95Å; K80-F99 HydrophobicContact CG-CE1 4.44Å; T97-F99 HydrophobicContact CG2-CD2 4.18Å; T97-F99 HydrophobicContact CG2-CE1 4.44Å; T97-F99 HydrophobicContact CG2-CE2 3.46Å; T97-F99 VanDerWaalsContact CG2-CE2 3.46Å; T97-F99 HydrophobicContact CG2-CZ 3.6Å
100Q97.3Very high87.7Confident70 Ų7075.3 Ų75.333%0.32738%0.384SS..EExtended strand (participates in β ladder)trans-131.7146.7-177.9177.3165.672.600112.3N42 F78 R79 V81N42-Q100 PolarHBondContact ND2-NE2 3.39Å; N42-Q100 WeakPolarHBondContact O-CG 3.42Å; N42-Q100 PolarHBondContact O-NE2 3.27Å; F78-Q100 WeakPolarHBondContact CA-O 3.46Å; R79-Q100 PolarHBondContact N-O 3.19Å; R79-Q100 PolarHBondContact O-N 3.46Å; V81-Q100 HydrophobicContact CG2-CB 3.92Å
101H98Very high89.2Confident25 Ų2571.7 Ų71.712%0.11636%0.36CS..  trans-146.9134.7165.4-176.9-81000110.2F78 C103 F104F78-H101 HydrophobicContact CD1-CB 3.54Å; F78-H101 HydrophobicContact CD2-CB 4.31Å; F78-H101 HydrophobicContact CE1-CB 3.54Å; F78-H101 HydrophobicContact CE2-CB 4.31Å; F78-H101 HydrophobicContact CG-CB 3.94Å; F78-H101 HydrophobicContact CZ-CB 3.95Å; H101-C103 PolarHBondContact ND1-N 3.42Å; H101-C103 PolarHBondContact O-N 2.92Å; H101-C103 VanDerWaalsContact O-N 3.11Å; H101-F104 HydrophobicContact CB-CB 3.86Å; H101-F104 PolarHBondContact O-N 3.18Å
102P96Very high90.9Very high105 Ų10563.2 Ų63.268%0.68232%0.323SS*.THydrogen-bonded Turntrans-57.3-31.2-174.7-26.934.5000115.4
103C96.1Very high92.3Very high34 Ų3465.2 Ų65.223%0.2333%0.329CS..THydrogen-bonded Turntrans-100.913179.1-49.40000113.8H101 L111 N114 I115H101-C103 PolarHBondContact ND1-N 3.42Å; H101-C103 PolarHBondContact O-N 2.92Å; H101-C103 VanDerWaalsContact O-N 3.11Å; C103-L111 HydrophobicContact CB-CB 4.3Å; C103-L111 CarbonylContact O-C 3.6Å; C103-L111 VanDerWaalsContact O-CB 3.28Å; C103-L111 WeakPolarHBondContact O-CB 3.49Å; C103-N114 HydrophobicContact CB-CB 4.16Å; C103-I115 HydrophobicContact CB-CG1 3.89Å
104F97.3Very high93.5Very high0 Ų061.3 Ų61.30%031%0.313CS..  trans-112.490.1176.2-171-96000108.9L22 W23 V26 W37 F44 F78 H101 L112 I115L22-F104 HydrophobicContact CD2-CE2 3.99Å; L22-F104 HydrophobicContact CD2-CZ 3.98Å; L22-F104 HydrophobicContact CG-CE2 4.05Å; L22-F104 HydrophobicContact CG-CZ 3.75Å; W23-F104 HydrophobicContact CB-CE2 3.85Å; W23-F104 HydrophobicContact CB-CZ 4.12Å; W23-F104 HydrophobicContact CG-CE2 4.36Å; V26-F104 HydrophobicContact CG2-CE1 4.41Å; V26-F104 HydrophobicContact CG2-CZ 4.36Å; W37-F104 AromaticContact CH2-CD1 3.48Å; W37-F104 HydrophobicContact CH2-CD1 3.48Å; W37-F104 VanDerWaalsContact CH2-CD1 3.48Å; W37-F104 AromaticContact CH2-CE1 3.09Å; W37-F104 HydrophobicContact CH2-CE1 3.09Å; W37-F104 HydrophobicContact CH2-CG 4.35Å; W37-F104 AromaticContact CH2-CZ 3.69Å; W37-F104 HydrophobicContact CH2-CZ 3.69Å; W37-F104 AromaticContact CZ2-CE1 3.98Å; W37-F104 HydrophobicContact CZ2-CE1 3.98Å; W37-F104 HydrophobicContact CZ2-CZ 4.25Å; W37-F104 AromaticContact CZ3-CD1 3.54Å; W37-F104 HydrophobicContact CZ3-CD1 3.54Å; W37-F104 AromaticContact CZ3-CE1 3.42Å; W37-F104 HydrophobicContact CZ3-CE1 3.42Å; W37-F104 VanDerWaalsContact CZ3-CE1 3.42Å; W37-F104 HydrophobicContact CZ3-CZ 4.42Å; F44-F104 HydrophobicContact CD1-CD1 4.05Å; F44-F104 AromaticContact CD1-CE1 3.67Å; F44-F104 HydrophobicContact CD1-CE1 3.67Å; F44-F104 HydrophobicContact CE1-CD1 4.36Å; F44-F104 HydrophobicContact CE1-CE1 4.05Å; F78-F104 HydrophobicContact CE1-CB 3.78Å; F78-F104 AromaticContact CE1-CD1 3.84Å; F78-F104 HydrophobicContact CE1-CD1 3.84Å; F78-F104 HydrophobicContact CE1-CD2 4.05Å; F78-F104 HydrophobicContact CE1-CE1 4.44Å; F78-F104 AromaticContact CE1-CG 3.62Å; F78-F104 HydrophobicContact CE1-CG 3.62Å; F78-F104 HydrophobicContact CZ-CB 3.87Å; F78-F104 HydrophobicContact CZ-CD1 4.29Å; F78-F104 AromaticContact CZ-CD2 3.64Å; F78-F104 HydrophobicContact CZ-CD2 3.64Å; F78-F104 HydrophobicContact CZ-CE2 4.25Å; F78-F104 AromaticContact CZ-CG 3.67Å; F78-F104 HydrophobicContact CZ-CG 3.67Å; H101-F104 HydrophobicContact CB-CB 3.86Å; H101-F104 PolarHBondContact O-N 3.18Å; F104-L112 HydrophobicContact CD2-CD2 3.39Å; F104-L112 HydrophobicContact CE2-CD2 3.77Å; F104-L112 HydrophobicContact CG-CD2 4.46Å; F104-I115 HydrophobicContact CB-CD1 3.91Å; F104-I115 HydrophobicContact CD2-CD1 4.07Å; F104-I115 HydrophobicContact CG-CD1 4.5Å
105L96.4Very high94.6Very high38 Ų3854.2 Ų54.220%0.19929%0.287CS..  trans-123145.8-172.1-53.7179.9000111.6W23 G41 N42 G107 Q108 L111W23-L105 PolarHBondContact NE1-O 3.41Å; G41-L105 CarbonylContact O-C 3.59Å; G41-L105 WeakPolarHBondContact O-CA 3.48Å; N42-L105 HydrophobicContact CB-CD2 3.74Å; L105-G107 PolarHBondContact O-N 3Å; L105-Q108 HydrophobicContact CB-CB 4.19Å; L105-Q108 HydrophobicContact CB-CG 4.42Å; L105-Q108 PolarHBondContact O-N 3.07Å; L105-L111 HydrophobicContact CD1-CD1 3.65Å; L105-L111 HydrophobicContact CG-CD1 4.12Å
106R96Very high95Very high130 Ų13056.6 Ų56.649%0.49129%0.293SS..THydrogen-bonded Turntrans-62.1130174.7-173.4170.763.2-161.9-7.1110.2W37 P39 G41 Q108W37-R106 HydrophobicContact CD2-CB 3.75Å; W37-R106 HydrophobicContact CD2-CG 4.12Å; W37-R106 HydrophobicContact CE3-CB 4.01Å; W37-R106 HydrophobicContact CG-CB 4.09Å; W37-R106 HydrophobicContact CG-CG 4.03Å; W37-R106 HydrophobicContact CZ2-CB 4.38Å; W37-R106 HydrophobicContact CZ3-CB 4.41Å; P39-R106 PolarHBondContact O-NH2 3.16Å; G41-R106 PolarHBondContact O-N 2.86Å; R106-Q108 PolarHBondContact O-N 3.44Å
107G94.2Very high95.2Very high62 Ų6259.7 Ų59.764%0.63930%0.3SS*.THydrogen-bonded Turntrans74.52.1179.700000115.7L105L105-G107 PolarHBondContact O-N 3Å
108Q93Very high95Very high79 Ų7963.9 Ų63.937%0.36932%0.318SS..  trans-12062.4178.5-56.5-170.730.200111.6L105 R106 Q110 L111L105-Q108 HydrophobicContact CB-CB 4.19Å; L105-Q108 HydrophobicContact CB-CG 4.42Å; L105-Q108 PolarHBondContact O-N 3.07Å; R106-Q108 PolarHBondContact O-N 3.44Å; Q108-Q110 PolarHBondContact O-N 3.32Å; Q108-L111 HydrophobicContact CB-CD1 3.97Å; Q108-L111 HydrophobicContact CB-CG 4.13Å; Q108-L111 PolarHBondContact O-N 3.41Å; Q108-L111 VanDerWaalsContact O-N 3.11Å
109E94.3Very high94.2Very high91 Ų9168.8 Ų68.843%0.42535%0.349SS..G310 helixtrans-59.1-30.8-179.5-167.2-175169.800112.5W23 L111 L112W23-E109 HydrophobicContact CD2-CB 4.41Å; W23-E109 HydrophobicContact CD2-CG 4.25Å; W23-E109 HydrophobicContact CE3-CG 4.34Å; W23-E109 HydrophobicContact CH2-CB 4.38Å; W23-E109 HydrophobicContact CZ2-CB 4.08Å; E109-L111 PolarHBondContact O-N 3.13Å; E109-L111 VanDerWaalsContact O-N 3.14Å; E109-L112 HydrophobicContact CG-CD1 3.73Å; E109-L112 HydrophobicContact CG-CG 4.45Å; E109-L112 VanDerWaalsContact O-CB 3.26Å; E109-L112 WeakPolarHBondContact O-CB 3.3Å; E109-L112 WeakPolarHBondContact O-CG 3.39Å; E109-L112 PolarHBondContact O-N 2.9Å
110Q93.5Very high92.8Very high114 Ų11474 Ų7453%0.53338%0.381SS..G310 helixtrans-58.8-28.1177.268-77.8-3.700113.3Q108 L112 E113Q108-Q110 PolarHBondContact O-N 3.32Å; Q110-L112 PolarHBondContact O-N 3.07Å; Q110-E113 WeakPolarHBondContact O-CG 3.46Å; Q110-E113 PolarHBondContact O-N 3.44Å
111L94.5Very high90.6Very high38 Ų3874.6 Ų74.620%0.19939%0.393CS..G310 helixtrans-71.5-14.3179.3-67.9-177.5000113.4C103 L105 Q108 E109 E113 N114C103-L111 HydrophobicContact CB-CB 4.3Å; C103-L111 CarbonylContact O-C 3.6Å; C103-L111 VanDerWaalsContact O-CB 3.28Å; C103-L111 WeakPolarHBondContact O-CB 3.49Å; L105-L111 HydrophobicContact CD1-CD1 3.65Å; L105-L111 HydrophobicContact CG-CD1 4.12Å; Q108-L111 HydrophobicContact CB-CD1 3.97Å; Q108-L111 HydrophobicContact CB-CG 4.13Å; Q108-L111 PolarHBondContact O-N 3.41Å; Q108-L111 VanDerWaalsContact O-N 3.11Å; E109-L111 PolarHBondContact O-N 3.13Å; E109-L111 VanDerWaalsContact O-N 3.14Å; L111-E113 PolarHBondContact O-N 3.27Å; L111-N114 WeakPolarHBondContact O-CB 3.44Å; L111-N114 PolarHBondContact O-N 2.94Å
112L95Very high88.8Confident0 Ų079.8 Ų79.80%043%0.426CS..G310 helixtrans-60.4-26.1176-60.9-178.6000112V15 W23 F104 E109 Q110 N114 I115V15-L112 HydrophobicContact CG1-CB 3.74Å; V15-L112 HydrophobicContact CG1-CD1 4.37Å; V15-L112 HydrophobicContact CG2-CB 4.12Å; W23-L112 HydrophobicContact CB-CD1 3.7Å; W23-L112 HydrophobicContact CB-CD2 4.42Å; W23-L112 HydrophobicContact CG-CD1 3.88Å; F104-L112 HydrophobicContact CD2-CD2 3.39Å; F104-L112 HydrophobicContact CE2-CD2 3.77Å; F104-L112 HydrophobicContact CG-CD2 4.46Å; E109-L112 HydrophobicContact CG-CD1 3.73Å; E109-L112 HydrophobicContact CG-CG 4.45Å; E109-L112 VanDerWaalsContact O-CB 3.26Å; E109-L112 WeakPolarHBondContact O-CB 3.3Å; E109-L112 WeakPolarHBondContact O-CG 3.39Å; E109-L112 PolarHBondContact O-N 2.9Å; Q110-L112 PolarHBondContact O-N 3.07Å; L112-N114 PolarHBondContact O-N 3.43Å; L112-I115 HydrophobicContact CD2-CD1 3.93Å; L112-I115 PolarHBondContact O-N 3.09Å
113E93.9Very high86.7Confident90 Ų9079.8 Ų79.842%0.42143%0.429SS..G310 helixtrans-64.6-25.2176.180.6-172.5167.700112.8N14 V15 Q110 L111 I115 K116N14-E113 WeakPolarHBondContact OD1-CB 3.48Å; V15-E113 HydrophobicContact CG2-CB 4.14Å; Q110-E113 WeakPolarHBondContact O-CG 3.46Å; Q110-E113 PolarHBondContact O-N 3.44Å; L111-E113 PolarHBondContact O-N 3.27Å; E113-I115 VanDerWaalsContact C-N 3.32Å; E113-K116 WeakPolarHBondContact O-CE 3.45Å; E113-K116 PolarHBondContact O-NZ 2.96Å
114N93.4Very high84.5Confident88 Ų8882.5 Ų82.547%0.47145%0.445SS..G310 helixtrans-81.1-14.7179.4-64.2-33000112.5C103 L111 L112 K116C103-N114 HydrophobicContact CB-CB 4.16Å; L111-N114 WeakPolarHBondContact O-CB 3.44Å; L111-N114 PolarHBondContact O-N 2.94Å; L112-N114 PolarHBondContact O-N 3.43Å; N114-K116 PolarHBondContact O-N 2.97Å
115I95.2Very high82.4Confident2 Ų289.9 Ų89.91%0.0148%0.483CS..  trans-82.3104.7178.9-50.2-177000109L19 Y76 F78 C103 F104 L112 E113L19-I115 HydrophobicContact CD1-CB 3.62Å; L19-I115 HydrophobicContact CD1-CD1 4.36Å; L19-I115 HydrophobicContact CD1-CG1 4.47Å; L19-I115 HydrophobicContact CD1-CG2 3.78Å; L19-I115 HydrophobicContact CD2-CD1 4.31Å; L19-I115 HydrophobicContact CD2-CG2 4.1Å; Y76-I115 HydrophobicContact CD1-CG2 4.08Å; Y76-I115 HydrophobicContact CG-CG2 4.43Å; Y76-I115 WeakPolarHBondContact O-CG2 3.26Å; F78-I115 HydrophobicContact CE2-CG2 4.49Å; F78-I115 HydrophobicContact CZ-CD1 4.32Å; C103-I115 HydrophobicContact CB-CG1 3.89Å; F104-I115 HydrophobicContact CB-CD1 3.91Å; F104-I115 HydrophobicContact CD2-CD1 4.07Å; F104-I115 HydrophobicContact CG-CD1 4.5Å; L112-I115 HydrophobicContact CD2-CD1 3.93Å; L112-I115 PolarHBondContact O-N 3.09Å; E113-I115 VanDerWaalsContact C-N 3.32Å
116K92.9Very high80.1Confident132 Ų13296.3 Ų96.357%0.57451%0.51SS*.  trans-97.6136.7178.7-56.6-51.7-174.1-166.20111.2E113 N114 K118E113-K116 WeakPolarHBondContact O-CE 3.45Å; E113-K116 PolarHBondContact O-NZ 2.96Å; N114-K116 PolarHBondContact O-N 2.97Å; K116-K118 PolarHBondContact O-N 3.32Å
117R93.9Very high78.2Confident125 Ų12595.2 Ų95.247%0.47252%0.522SS..  trans-65.9127.8172.8-164.4-179-169.3-164.74.2108.9M75 Y76 V119M75-R117 HydrophobicContact CB-CG 4.26Å; M75-R117 HydrophobicContact CE-CG 4.42Å; M75-R117 VanDerWaalsContact CE-CZ 3.45Å; M75-R117 VanDerWaalsContact CE-NE 3.26Å; M75-R117 VanDerWaalsContact CE-NH2 3.26Å; M75-R117 PolarHBondContact SD-NH2 3.06Å; Y76-R117 HydrophobicContact CD1-CB 4.07Å; Y76-R117 HydrophobicContact CD1-CG 4.45Å; Y76-R117 HydrophobicContact CE1-CB 3.65Å; Y76-R117 HydrophobicContact CE1-CG 4.06Å; R117-V119 PolarHBondContact O-N 3.32Å; R117-V119 VanDerWaalsContact O-N 3.15Å
118K90.6Very high76.2Confident95 Ų9599.3 Ų99.341%0.41353%0.525SS..  trans-64.2113.6170.1-64.6177.2179.71780108.2M75 K116 T120M75-K118 WeakPolarHBondContact O-CB 3.46Å; M75-K118 WeakPolarHBondContact O-CG 3.23Å; M75-K118 PolarHBondContact O-N 3.48Å; K116-K118 PolarHBondContact O-N 3.32Å; K118-T120 PolarHBondContact O-N 3.46Å
119V79.9Confident74.2Confident121 Ų12198.7 Ų98.773%0.73352%0.524SS*.  trans-79.3115.4171.2-176.60000106.1R117 S121R117-V119 PolarHBondContact O-N 3.32Å; R117-V119 VanDerWaalsContact O-N 3.15Å; V119-S121 PolarHBondContact O-N 2.73Å
120T67.6Low72.5Confident114 Ų11499.1 Ų99.170%0.69953%0.528SS*.  trans-67.886.5164.4-52.30000106.6K118 V122K118-T120 PolarHBondContact O-N 3.46Å; T120-V122 HydrophobicContact CG2-CG2 3.97Å; T120-V122 PolarHBondContact O-N 3.43Å
121S51.7Low70.6Confident84 Ų84102 Ų10259%0.58754%0.538SS*.  trans-74.890.5179.253.60000109V119V119-S121 PolarHBondContact O-N 2.73Å
122V60.3Low68.9Low133 Ų133104.6 Ų104.681%0.80655%0.552SS**SBendtrans-79.4-5.6172.4-166.20000111.2T120T120-V122 HydrophobicContact CG2-CG2 3.97Å; T120-V122 PolarHBondContact O-N 3.43Å
123S51.9Low67.5Low105 Ų105111.8 Ų111.873%0.73458%0.579SS**SBendtrans-138.318.8-159.862.10000118.4
124T48.9Very low66.4Low92 Ų92114 Ų11456%0.56459%0.59SS**  trans-139.961.1178.648.40000113.8K126T124-K126 PolarHBondContact O-N 2.94Å
125L54.2Low65.6Low155 Ų155115 Ų11581%0.81259%0.594SS**  trans-79.589.4159.4-68.1172.2000108.2
126K48.3Very low64.8Low172 Ų172117.3 Ų117.375%0.74861%0.611SS**  trans-114.296173.2-77-173.31751770109.5T124 E128T124-K126 PolarHBondContact O-N 2.94Å; K126-E128 PolarHBondContact O-N 2.8Å
127S55.7Low64.4Low108 Ų108114.8 Ų114.876%0.75561%0.606SS**SBendtrans55.7-22.1154.3-150.60000121.2
128E51.9Low64Low148 Ų148112.4 Ų112.469%0.69261%0.606SS**SBendtrans-84.3-24.5178.3-85.9-95103.300112.9K126 I130K126-E128 PolarHBondContact O-N 2.8Å; E128-I130 PolarHBondContact O-N 3.43Å; E128-I130 VanDerWaalsContact O-N 3.16Å
129D51.6Low63.7Low65 Ų65116.5 Ų116.535%0.34862%0.619SS.*Hα-helixtrans-69.8-9.8-178.2-72-60000114.7R133D129-R133 WeakPolarHBondContact O-CB 3.47Å; D129-R133 WeakPolarHBondContact O-CG 3.5Å; D129-R133 PolarHBondContact O-N 2.84Å; D129-R133 PolarHBondContact O-NE 2.97Å
130I58Low64.1Low101 Ų101115.9 Ų115.952%0.51861%0.611SS.*Hα-helixtrans-76.7-38.3-177.8-62.5159.5000110.8E128 Q134E128-I130 PolarHBondContact O-N 3.43Å; E128-I130 VanDerWaalsContact O-N 3.16Å; I130-Q134 PolarHBondContact O-N 2.91Å
131K54.3Low65.1Low173 Ų173115.8 Ų115.875%0.75261%0.605SS**Hα-helixtrans-74.7-42.8176.2-102.1-172.6164.9-156.10112.1R133 Q134 D135K131-R133 VanDerWaalsContact C-N 3.28Å; K131-R133 PolarHBondContact O-N 3.36Å; K131-Q134 PolarHBondContact O-N 3.45Å; K131-Q134 VanDerWaalsContact O-N 3.15Å; K131-D135 PolarHBondContact O-N 3.46Å
132I58.4Low66.8Low94 Ų94115.9 Ų115.948%0.48260%0.602SS.*Hα-helixtrans-64.1-35176.9-64.7167.4000110.9Q134 S136I132-Q134 PolarHBondContact O-N 2.6Å; I132-S136 VanDerWaalsContact O-CB 3.26Å; I132-S136 WeakPolarHBondContact O-CB 3.35Å; I132-S136 PolarHBondContact O-N 3.24Å; I132-S136 PolarHBondContact O-OG 2.79Å
133R64.6Low68.2Low150 Ų150114 Ų11457%0.56659%0.588SS**Hα-helixtrans-64.3-35.2173.6-85-171.7-61.1151.1-4.4113.2D129 K131 S136 V137D129-R133 WeakPolarHBondContact O-CB 3.47Å; D129-R133 WeakPolarHBondContact O-CG 3.5Å; D129-R133 PolarHBondContact O-N 2.84Å; D129-R133 PolarHBondContact O-NE 2.97Å; K131-R133 VanDerWaalsContact C-N 3.28Å; K131-R133 PolarHBondContact O-N 3.36Å; R133-S136 PolarHBondContact O-N 3.18Å; R133-V137 VanDerWaalsContact O-CB 3.32Å; R133-V137 WeakPolarHBondContact O-CB 3.5Å; R133-V137 WeakPolarHBondContact O-CG2 3.12Å; R133-V137 PolarHBondContact O-N 3.11Å
134Q71.3Confident70Confident138 Ų138113.1 Ų113.165%0.64558%0.578SS**Hα-helixtrans-72.1-40.8-178.3-168.3152.3-400112.1I130 K131 I132 S136 T138I130-Q134 PolarHBondContact O-N 2.91Å; K131-Q134 PolarHBondContact O-N 3.45Å; K131-Q134 VanDerWaalsContact O-N 3.15Å; I132-Q134 PolarHBondContact O-N 2.6Å; Q134-S136 VanDerWaalsContact C-N 3.35Å; Q134-T138 WeakPolarHBondContact O-CB 3.44Å; Q134-T138 PolarHBondContact O-N 3.08Å; Q134-T138 PolarHBondContact O-OG1 3.1Å
135D75.7Confident71.7Confident107 Ų107114.9 Ų114.957%0.57258%0.58SS**Hα-helixtrans-66.1-38.9171.8-69.8-28.5000111.3K131 T138 R139K131-D135 PolarHBondContact O-N 3.46Å; D135-T138 PolarHBondContact O-N 3.33Å; D135-R139 WeakPolarHBondContact O-CB 3.26Å; D135-R139 VanDerWaalsContact O-CG 3.28Å; D135-R139 WeakPolarHBondContact O-CG 3.48Å; D135-R139 PolarHBondContact O-N 2.97Å
136S79.7Confident73.4Confident52 Ų52112.3 Ų112.336%0.36457%0.566SS.*Hα-helixtrans-64.9-44.9176.4-590000112I132 R133 Q134 T138 R139 L140I132-S136 VanDerWaalsContact O-CB 3.26Å; I132-S136 WeakPolarHBondContact O-CB 3.35Å; I132-S136 PolarHBondContact O-N 3.24Å; I132-S136 PolarHBondContact O-OG 2.79Å; R133-S136 PolarHBondContact O-N 3.18Å; Q134-S136 VanDerWaalsContact C-N 3.35Å; S136-T138 VanDerWaalsContact C-N 3.33Å; S136-T138 PolarHBondContact O-N 2.96Å; S136-R139 PolarHBondContact O-N 3.24Å; S136-L140 WeakPolarHBondContact O-CB 3.39Å; S136-L140 WeakPolarHBondContact O-CD1 3.4Å; S136-L140 PolarHBondContact O-N 3.5Å
137V83.8Confident75.1Confident78 Ų78110 Ų11047%0.47356%0.56SS.*Hα-helixtrans-64-39.8176169.70000110.6R133 L140 L141R133-V137 VanDerWaalsContact O-CB 3.32Å; R133-V137 WeakPolarHBondContact O-CB 3.5Å; R133-V137 WeakPolarHBondContact O-CG2 3.12Å; R133-V137 PolarHBondContact O-N 3.11Å; V137-L140 PolarHBondContact O-N 3.22Å; V137-L141 HydrophobicContact CG1-CD1 3.99Å; V137-L141 HydrophobicContact CG1-CG 4.35Å; V137-L141 WeakPolarHBondContact O-CB 3.27Å; V137-L141 VanDerWaalsContact O-CG 3.25Å; V137-L141 WeakPolarHBondContact O-CG 3.38Å; V137-L141 PolarHBondContact O-N 3.35Å
138T85.9Confident76.5Confident75 Ų75110.3 Ų110.346%0.4655%0.547SS..Hα-helixtrans-65.5-41176.5-53.50000111.7Q134 D135 S136 L141 T142Q134-T138 WeakPolarHBondContact O-CB 3.44Å; Q134-T138 PolarHBondContact O-N 3.08Å; Q134-T138 PolarHBondContact O-OG1 3.1Å; D135-T138 PolarHBondContact O-N 3.33Å; S136-T138 VanDerWaalsContact C-N 3.33Å; S136-T138 PolarHBondContact O-N 2.96Å; T138-L141 PolarHBondContact O-N 3.27Å; T138-T142 WeakPolarHBondContact O-CB 3.33Å; T138-T142 PolarHBondContact O-N 2.87Å; T138-T142 PolarHBondContact O-OG1 3.47Å
139R84.9Confident78.1Confident182 Ų182105 Ų10569%0.68753%0.533SS*.Hα-helixtrans-62.9-48172.7-73.3176.9-175.2-157.61.9111.5D135 S136 L141 T142 D143D135-R139 WeakPolarHBondContact O-CB 3.26Å; D135-R139 VanDerWaalsContact O-CG 3.28Å; D135-R139 WeakPolarHBondContact O-CG 3.48Å; D135-R139 PolarHBondContact O-N 2.97Å; S136-R139 PolarHBondContact O-N 3.24Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.39Å; R139-T142 CarbonylContact O-C 3.58Å; R139-T142 WeakPolarHBondContact O-CA 3.46Å; R139-T142 WeakPolarHBondContact O-CB 3.45Å; R139-T142 PolarHBondContact O-N 2.91Å; R139-T142 VanDerWaalsContact O-N 3.07Å; R139-D143 WeakPolarHBondContact O-CB 3.42Å; R139-D143 VanDerWaalsContact O-CG 3.32Å; R139-D143 PolarHBondContact O-N 3.19Å
140L87.9Confident79.8Confident107 Ų107108.5 Ų108.556%0.5655%0.545SS*.Hα-helixtrans-56.5-43.9174.6-91.6145.2000112.2S136 V137 T142 D143 V144S136-L140 WeakPolarHBondContact O-CB 3.39Å; S136-L140 WeakPolarHBondContact O-CD1 3.4Å; S136-L140 PolarHBondContact O-N 3.5Å; V137-L140 PolarHBondContact O-N 3.22Å; L140-T142 VanDerWaalsContact C-N 3.33Å; L140-T142 PolarHBondContact O-N 3.25Å; L140-D143 PolarHBondContact O-N 2.82Å; L140-V144 WeakPolarHBondContact O-CB 3.49Å; L140-V144 WeakPolarHBondContact O-CG2 3.47Å; L140-V144 PolarHBondContact O-N 3.26Å
141L87.8Confident81.2Confident112 Ų112107.7 Ų107.759%0.58654%0.539SS*.Hα-helixtrans-65.1-37.8176-73.6171.2000111.9V137 T138 R139 Q145V137-L141 HydrophobicContact CG1-CD1 3.99Å; V137-L141 HydrophobicContact CG1-CG 4.35Å; V137-L141 WeakPolarHBondContact O-CB 3.27Å; V137-L141 VanDerWaalsContact O-CG 3.25Å; V137-L141 WeakPolarHBondContact O-CG 3.38Å; V137-L141 PolarHBondContact O-N 3.35Å; T138-L141 PolarHBondContact O-N 3.27Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.39Å; L141-Q145 WeakPolarHBondContact O-CB 3.48Å; L141-Q145 PolarHBondContact O-N 2.82Å
142T88.3Confident82.9Confident86 Ų86104.4 Ų104.453%0.52853%0.526SS..Hα-helixtrans-67.1-43.9175.6-52.50000111.1T138 R139 L140 Q145 L146T138-T142 WeakPolarHBondContact O-CB 3.33Å; T138-T142 PolarHBondContact O-N 2.87Å; T138-T142 PolarHBondContact O-OG1 3.47Å; R139-T142 CarbonylContact O-C 3.58Å; R139-T142 WeakPolarHBondContact O-CA 3.46Å; R139-T142 WeakPolarHBondContact O-CB 3.45Å; R139-T142 PolarHBondContact O-N 2.91Å; R139-T142 VanDerWaalsContact O-N 3.07Å; L140-T142 VanDerWaalsContact C-N 3.33Å; L140-T142 PolarHBondContact O-N 3.25Å; T142-Q145 PolarHBondContact O-N 3.38Å; T142-L146 WeakPolarHBondContact O-CB 3.39Å; T142-L146 PolarHBondContact O-N 2.82Å
143D88.4Confident84.4Confident93 Ų93104 Ų10450%0.49753%0.531SS..Hα-helixtrans-64.1-42.2176.9-70-16.5000110.9R139 L140 L146 M147R139-D143 WeakPolarHBondContact O-CB 3.42Å; R139-D143 VanDerWaalsContact O-CG 3.32Å; R139-D143 PolarHBondContact O-N 3.19Å; L140-D143 PolarHBondContact O-N 2.82Å; D143-L146 PolarHBondContact O-N 3.13Å; D143-M147 WeakPolarHBondContact O-CB 3.42Å; D143-M147 VanDerWaalsContact O-CG 3.3Å; D143-M147 WeakPolarHBondContact O-CG 3.33Å; D143-M147 PolarHBondContact O-N 3.03Å
144V89.5Confident85.8Confident87 Ų87101.8 Ų101.853%0.52753%0.528SS..Hα-helixtrans-63.6-41174.4168.20000111.3L140 M147 K148L140-V144 WeakPolarHBondContact O-CB 3.49Å; L140-V144 WeakPolarHBondContact O-CG2 3.47Å; L140-V144 PolarHBondContact O-N 3.26Å; V144-M147 PolarHBondContact O-N 3.47Å; V144-K148 WeakPolarHBondContact O-CB 3.39Å; V144-K148 PolarHBondContact O-N 3.16Å
145Q86.6Confident86.7Confident129 Ų12999 Ų9960%0.60352%0.517SS*.Hα-helixtrans-67.4-39.6177-169.7661900111.8L141 T142 K148 G149L141-Q145 WeakPolarHBondContact O-CB 3.48Å; L141-Q145 PolarHBondContact O-N 2.82Å; T142-Q145 PolarHBondContact O-N 3.38Å; Q145-K148 PolarHBondContact O-N 2.98Å; Q145-G149 PolarHBondContact O-N 2.86Å; Q145-G149 VanDerWaalsContact O-N 3.09Å
146L88.1Confident87.6Confident102 Ų10297.6 Ų97.653%0.53452%0.516SS..Hα-helixtrans-65.7-42.3173.9-175.270.8000111.1T142 D143 K148 G149 K150T142-L146 WeakPolarHBondContact O-CB 3.39Å; T142-L146 PolarHBondContact O-N 2.82Å; D143-L146 PolarHBondContact O-N 3.13Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3.46Å; L146-G149 PolarHBondContact O-N 3.48Å; L146-K150 WeakPolarHBondContact O-CG 3.38Å; L146-K150 PolarHBondContact O-N 3.05Å
147M85.7Confident88.3Confident122 Ų122101.7 Ų101.760%0.60153%0.527SS*.Hα-helixtrans-62.8-39.5174.7-79.7-163.773.100111.3D143 V144 K150 Q151D143-M147 WeakPolarHBondContact O-CB 3.42Å; D143-M147 VanDerWaalsContact O-CG 3.3Å; D143-M147 WeakPolarHBondContact O-CG 3.33Å; D143-M147 PolarHBondContact O-N 3.03Å; V144-M147 PolarHBondContact O-N 3.47Å; M147-K150 PolarHBondContact O-N 2.87Å; M147-Q151 VanDerWaalsContact O-CB 3.27Å; M147-Q151 WeakPolarHBondContact O-CB 3.48Å; M147-Q151 PolarHBondContact O-N 3.4Å
148K84.9Confident88.8Confident115 Ų115103.2 Ų103.250%0.553%0.533SS..Hα-helixtrans-61-45.8175.4-169.4-176.6179.2-168.40111.6V144 Q145 L146 K150 Q151 E152V144-K148 WeakPolarHBondContact O-CB 3.39Å; V144-K148 PolarHBondContact O-N 3.16Å; Q145-K148 PolarHBondContact O-N 2.98Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3.46Å; K148-K150 PolarHBondContact O-N 3.03Å; K148-Q151 WeakPolarHBondContact O-CB 3.47Å; K148-Q151 PolarHBondContact O-N 3.33Å; K148-E152 VanDerWaalsContact CE-OE1 3.3Å; K148-E152 WeakPolarHBondContact CE-OE1 3.47Å; K148-E152 WeakPolarHBondContact O-CG 3.34Å; K148-E152 PolarHBondContact O-N 2.98Å
149G84.4Confident89.2Confident38 Ų38104 Ų10439%0.39253%0.533SS..Hα-helixtrans-63.9-38.7175.400000113.2Q145 L146 C153Q145-G149 PolarHBondContact O-N 2.86Å; Q145-G149 VanDerWaalsContact O-N 3.09Å; L146-G149 PolarHBondContact O-N 3.48Å; G149-C153 WeakPolarHBondContact O-CB 3.43Å; G149-C153 PolarHBondContact O-N 3.19Å; G149-C153 VanDerWaalsContact O-N 3.08Å
150K88.2Confident89.7Confident138 Ų13897.7 Ų97.760%0.652%0.52SS*.Hα-helixtrans-66.2-38.5173.2-73-178.2178.8-175.60112.2L146 M147 K148 C153 M154L146-K150 WeakPolarHBondContact O-CG 3.38Å; L146-K150 PolarHBondContact O-N 3.05Å; M147-K150 PolarHBondContact O-N 2.87Å; K148-K150 PolarHBondContact O-N 3.03Å; K150-C153 PolarHBondContact O-N 3.11Å; K150-M154 WeakPolarHBondContact O-CB 3.43Å; K150-M154 PolarHBondContact O-N 3Å
151Q87.7Confident90Very high84 Ų8497.7 Ų97.739%0.39352%0.519SS..Hα-helixtrans-63.9-47176.5-173.666.739.800110.4M147 K148 C153 M154 D155M147-Q151 VanDerWaalsContact O-CB 3.27Å; M147-Q151 WeakPolarHBondContact O-CB 3.48Å; M147-Q151 PolarHBondContact O-N 3.4Å; K148-Q151 WeakPolarHBondContact O-CB 3.47Å; K148-Q151 PolarHBondContact O-N 3.33Å; Q151-C153 VanDerWaalsContact C-N 3.31Å; Q151-C153 PolarHBondContact O-N 2.8Å; Q151-M154 PolarHBondContact O-N 2.92Å; Q151-M154 VanDerWaalsContact O-N 3.16Å; Q151-M154 VanDerWaalsContact OE1-CE 3.22Å; Q151-D155 PolarHBondContact NE2-OD1 3.01Å; Q151-D155 WeakPolarHBondContact O-CB 3.4Å; Q151-D155 PolarHBondContact O-N 2.96Å
152E89.2Confident90.4Very high104 Ų10498.5 Ų98.549%0.48652%0.517SS..Hα-helixtrans-60.9-39176.4-71.4170.1-172.900112.2K148 S156K148-E152 VanDerWaalsContact CE-OE1 3.3Å; K148-E152 WeakPolarHBondContact CE-OE1 3.47Å; K148-E152 WeakPolarHBondContact O-CG 3.34Å; K148-E152 PolarHBondContact O-N 2.98Å; E152-S156 WeakPolarHBondContact O-CB 3.13Å; E152-S156 PolarHBondContact O-N 3.21Å; E152-S156 PolarHBondContact O-OG 3.27Å
153C90.5Very high90.7Very high85 Ų8599.3 Ų99.357%0.57452%0.515SS*.Hα-helixtrans-64.9-45173.6-179.70000112G149 K150 Q151 S156 K157G149-C153 WeakPolarHBondContact O-CB 3.43Å; G149-C153 PolarHBondContact O-N 3.19Å; G149-C153 VanDerWaalsContact O-N 3.08Å; K150-C153 PolarHBondContact O-N 3.11Å; Q151-C153 VanDerWaalsContact C-N 3.31Å; Q151-C153 PolarHBondContact O-N 2.8Å; C153-S156 PolarHBondContact O-N 3.28Å; C153-K157 WeakPolarHBondContact O-CB 3.33Å; C153-K157 PolarHBondContact O-N 2.83Å
154M92.7Very high90.9Very high103 Ų10398.3 Ų98.351%0.50751%0.507SS..Hα-helixtrans-64.8-43.3177.7-177.3170.16100111.8K150 Q151 S156 K157 L158K150-M154 WeakPolarHBondContact O-CB 3.43Å; K150-M154 PolarHBondContact O-N 3Å; Q151-M154 PolarHBondContact O-N 2.92Å; Q151-M154 VanDerWaalsContact O-N 3.16Å; Q151-M154 VanDerWaalsContact OE1-CE 3.22Å; M154-S156 VanDerWaalsContact C-N 3.32Å; M154-S156 PolarHBondContact O-N 3.29Å; M154-K157 PolarHBondContact O-N 2.87Å; M154-L158 WeakPolarHBondContact O-CB 3.36Å; M154-L158 PolarHBondContact O-N 3.46Å
155D91.6Very high91.1Very high79 Ų7998.1 Ų98.142%0.42250%0.503SS..Hα-helixtrans-62.7-41176.8-67.3-18.1000110.7Q151 L158 L159Q151-D155 PolarHBondContact NE2-OD1 3.01Å; Q151-D155 WeakPolarHBondContact O-CB 3.4Å; Q151-D155 PolarHBondContact O-N 2.96Å; D155-L158 PolarHBondContact O-N 2.97Å; D155-L159 WeakPolarHBondContact O-CB 3.49Å; D155-L159 PolarHBondContact O-N 2.87Å
156S93.6Very high91.4Very high78 Ų7895 Ų9555%0.54549%0.489SS..Hα-helixtrans-63.7-43.3174.9-60.20000111.9E152 C153 M154 L159 A160E152-S156 WeakPolarHBondContact O-CB 3.13Å; E152-S156 PolarHBondContact O-N 3.21Å; E152-S156 PolarHBondContact O-OG 3.27Å; C153-S156 PolarHBondContact O-N 3.28Å; M154-S156 VanDerWaalsContact C-N 3.32Å; M154-S156 PolarHBondContact O-N 3.29Å; S156-L159 PolarHBondContact O-N 2.85Å; S156-A160 WeakPolarHBondContact O-CB 3.37Å; S156-A160 PolarHBondContact O-N 2.97Å
157K95Very high91.8Very high138 Ų13891.1 Ų91.160%0.647%0.471SS*.Hα-helixtrans-66-39.4176.3-173.5175.4-178.5178.90111.7C153 M154 A160 M161C153-K157 WeakPolarHBondContact O-CB 3.33Å; C153-K157 PolarHBondContact O-N 2.83Å; M154-K157 PolarHBondContact O-N 2.87Å; K157-A160 PolarHBondContact O-N 2.88Å; K157-M161 VanDerWaalsContact O-CB 3.26Å; K157-M161 WeakPolarHBondContact O-CB 3.27Å; K157-M161 PolarHBondContact O-N 2.88Å
158L94.9Very high92.2Very high111 Ų11189.7 Ų89.758%0.58147%0.466SS*.Hα-helixtrans-65.1-42176.4-172.9151.6000110.8M154 D155 M161 K162M154-L158 WeakPolarHBondContact O-CB 3.36Å; M154-L158 PolarHBondContact O-N 3.46Å; D155-L158 PolarHBondContact O-N 2.97Å; L158-M161 PolarHBondContact O-N 3.39Å; L158-K162 WeakPolarHBondContact O-CB 3.43Å; L158-K162 PolarHBondContact O-N 3.37Å
159L93.6Very high92.7Very high90 Ų9091.3 Ų91.347%0.47147%0.469SS..Hα-helixtrans-65.6-43.1176.4-171.665.4000111.8D155 S156 K162 H163D155-L159 WeakPolarHBondContact O-CB 3.49Å; D155-L159 PolarHBondContact O-N 2.87Å; S156-L159 PolarHBondContact O-N 2.85Å; L159-K162 WeakPolarHBondContact O-CB 3.36Å; L159-K162 PolarHBondContact O-N 2.81Å; L159-H163 PolarHBondContact O-CD2 2.98Å; L159-H163 PolarHBondContact O-N 2.94Å
160A94.7Very high93.2Very high50 Ų5096 Ų9641%0.41348%0.475SS..Hα-helixtrans-59.6-48.1173.500000111.2S156 K157 K162 H163 E164S156-A160 WeakPolarHBondContact O-CB 3.37Å; S156-A160 PolarHBondContact O-N 2.97Å; K157-A160 PolarHBondContact O-N 2.88Å; A160-K162 VanDerWaalsContact C-N 3.29Å; A160-K162 PolarHBondContact O-N 3.45Å; A160-H163 PolarHBondContact O-N 3.32Å; A160-H163 VanDerWaalsContact O-N 3.13Å; A160-E164 WeakPolarHBondContact O-CG 3.14Å; A160-E164 PolarHBondContact O-N 3.1Å
161M95.2Very high93.5Very high107 Ų10793.6 Ų93.653%0.52747%0.466SS..Hα-helixtrans-61.2-37.2176.9-171.6-178.9-61.900112.1K157 L158 E164 N165K157-M161 VanDerWaalsContact O-CB 3.26Å; K157-M161 WeakPolarHBondContact O-CB 3.27Å; K157-M161 PolarHBondContact O-N 2.88Å; L158-M161 PolarHBondContact O-N 3.39Å; M161-E164 PolarHBondContact O-N 3.14Å; M161-N165 VanDerWaalsContact O-CB 3.23Å; M161-N165 WeakPolarHBondContact O-CB 3.07Å; M161-N165 PolarHBondContact O-N 3.49Å
162K95.2Very high93.8Very high129 Ų12992.5 Ų92.556%0.56147%0.465SS*.Hα-helixtrans-61.7-45.8173.9-178-171.8173.7-174.70111.2L158 L159 A160 N165 E166L158-K162 WeakPolarHBondContact O-CB 3.43Å; L158-K162 PolarHBondContact O-N 3.37Å; L159-K162 WeakPolarHBondContact O-CB 3.36Å; L159-K162 PolarHBondContact O-N 2.81Å; A160-K162 VanDerWaalsContact C-N 3.29Å; A160-K162 PolarHBondContact O-N 3.45Å; K162-N165 PolarHBondContact O-N 3.15Å; K162-E166 WeakPolarHBondContact O-CB 3.37Å; K162-E166 PolarHBondContact O-N 3.13Å
163H94.2Very high94.1Very high103 Ų10390 Ų9048%0.47746%0.462SS..Hα-helixtrans-65.3-40.9177.5-75.8-58.1000112.6L159 A160 E166 A167L159-H163 PolarHBondContact O-CD2 2.98Å; L159-H163 PolarHBondContact O-N 2.94Å; A160-H163 PolarHBondContact O-N 3.32Å; A160-H163 VanDerWaalsContact O-N 3.13Å; H163-E166 PolarHBondContact O-N 3.4Å; H163-A167 WeakPolarHBondContact O-CB 3.12Å; H163-A167 PolarHBondContact O-N 2.94Å
164E94.2Very high94.3Very high73 Ų7388.6 Ų88.634%0.34145%0.453SS..Hα-helixtrans-63.2-43.4173.5-70.5-175.8156.300111.5A160 M161 E166 A167 L168 S326A160-E164 WeakPolarHBondContact O-CG 3.14Å; A160-E164 PolarHBondContact O-N 3.1Å; M161-E164 PolarHBondContact O-N 3.14Å; E164-E166 VanDerWaalsContact C-N 3.35Å; E164-E166 PolarHBondContact O-N 3.25Å; E164-A167 WeakPolarHBondContact O-CB 3.33Å; E164-A167 PolarHBondContact O-N 3.47Å; E164-L168 WeakPolarHBondContact O-CG 3.37Å; E164-L168 PolarHBondContact O-N 2.87Å; E164-S326 WeakPolarHBondContact OE1-CB 3.44Å; E164-S326 PolarHBondContact OE1-OG 3.44Å
165N93.6Very high94.4Very high83 Ų8388.9 Ų88.944%0.44446%0.456SS..Hα-helixtrans-62-43.7177.4-160.3-76.6000111.1M161 K162 A167 L168 W169M161-N165 VanDerWaalsContact O-CB 3.23Å; M161-N165 WeakPolarHBondContact O-CB 3.07Å; M161-N165 PolarHBondContact O-N 3.49Å; K162-N165 PolarHBondContact O-N 3.15Å; N165-A167 VanDerWaalsContact C-N 3.32Å; N165-A167 PolarHBondContact O-N 3.08Å; N165-L168 PolarHBondContact O-N 3.19Å; N165-W169 PolarHBondContact O-N 2.91Å; N165-W169 PolarHBondContact OD1-NE1 3.35Å
166E93.2Very high94.6Very high62 Ų6292.7 Ų92.729%0.2946%0.464SS..Hα-helixtrans-61.8-38.9174.9-162.9-156.8120.100112.2K162 H163 E164 W169 R170 L439K162-E166 WeakPolarHBondContact O-CB 3.37Å; K162-E166 PolarHBondContact O-N 3.13Å; H163-E166 PolarHBondContact O-N 3.4Å; E164-E166 VanDerWaalsContact C-N 3.35Å; E164-E166 PolarHBondContact O-N 3.25Å; E166-W169 PolarHBondContact O-N 2.66Å; E166-R170 PolarHBondContact O-N 2.92Å; E166-R170 IonicContact OE1-CZ 3.52Å; E166-R170 IonicContact OE1-NE 3.33Å; E166-R170 PolarHBondContact OE1-NE 3.07Å; E166-R170 IonicContact OE1-NH2 2.8Å; E166-R170 PolarHBondContact OE1-NH2 2.64Å; E166-L439 HydrophobicContact CG-CD2 4.2Å
167A94.6Very high94.7Very high21 Ų2194.9 Ų94.917%0.17447%0.466CS..Hα-helixtrans-64.7-45174.100000112.1H163 E164 N165 W169 R170 E171H163-A167 WeakPolarHBondContact O-CB 3.12Å; H163-A167 PolarHBondContact O-N 2.94Å; E164-A167 WeakPolarHBondContact O-CB 3.33Å; E164-A167 PolarHBondContact O-N 3.47Å; N165-A167 VanDerWaalsContact C-N 3.32Å; N165-A167 PolarHBondContact O-N 3.08Å; A167-W169 VanDerWaalsContact C-N 3.32Å; A167-W169 PolarHBondContact O-N 3.37Å; A167-R170 WeakPolarHBondContact O-CB 3.28Å; A167-R170 PolarHBondContact O-N 3.21Å; A167-R170 VanDerWaalsContact O-N 3.14Å; A167-E171 WeakPolarHBondContact O-CG 3.49Å; A167-E171 PolarHBondContact O-N 3.48Å
168L95.6Very high94.7Very high93 Ų9394.4 Ų94.449%0.48746%0.464SS..Hα-helixtrans-60-40.9174.8-71.5172.1000111.6E164 N165 R170 E171 V172E164-L168 WeakPolarHBondContact O-CG 3.37Å; E164-L168 PolarHBondContact O-N 2.87Å; N165-L168 PolarHBondContact O-N 3.19Å; L168-R170 PolarHBondContact O-N 3.5Å; L168-E171 PolarHBondContact O-N 2.66Å; L168-V172 WeakPolarHBondContact O-CB 3.48Å; L168-V172 VanDerWaalsContact O-CG2 3.26Å; L168-V172 WeakPolarHBondContact O-CG2 3.34Å; L168-V172 PolarHBondContact O-N 2.99Å
169W94.3Very high94.8Very high148 Ų14894.7 Ų94.756%0.56146%0.462SS*.Hα-helixtrans-61.3-43.2174.2-83.1110.3000112.4N165 E166 A167 V172 A173N165-W169 PolarHBondContact O-N 2.91Å; N165-W169 PolarHBondContact OD1-NE1 3.35Å; E166-W169 PolarHBondContact O-N 2.66Å; A167-W169 VanDerWaalsContact C-N 3.32Å; A167-W169 PolarHBondContact O-N 3.37Å; W169-V172 PolarHBondContact O-N 2.92Å; W169-A173 WeakPolarHBondContact O-CB 3.22Å; W169-A173 PolarHBondContact O-N 2.94Å
170R95Very high94.8Very high138 Ų13892.2 Ų92.252%0.52146%0.455SS..Hα-helixtrans-62.1-41.9175-78.4-174-100100.7-2.3112E166 A167 L168 S174E166-R170 PolarHBondContact O-N 2.92Å; E166-R170 IonicContact OE1-CZ 3.52Å; E166-R170 IonicContact OE1-NE 3.33Å; E166-R170 PolarHBondContact OE1-NE 3.07Å; E166-R170 IonicContact OE1-NH2 2.8Å; E166-R170 PolarHBondContact OE1-NH2 2.64Å; A167-R170 WeakPolarHBondContact O-CB 3.28Å; A167-R170 PolarHBondContact O-N 3.21Å; A167-R170 VanDerWaalsContact O-N 3.14Å; L168-R170 PolarHBondContact O-N 3.5Å; R170-S174 WeakPolarHBondContact O-CB 3.39Å; R170-S174 PolarHBondContact O-N 2.88Å
171E94.8Very high94.8Very high86 Ų8694.7 Ų94.740%0.40246%0.457SS..Hα-helixtrans-65-47.5176.4-72.9179.6-162.600111.9A167 L168 A173 S174 L175A167-E171 WeakPolarHBondContact O-CG 3.49Å; A167-E171 PolarHBondContact O-N 3.48Å; L168-E171 PolarHBondContact O-N 2.66Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 3.38Å; E171-S174 WeakPolarHBondContact O-CB 3.33Å; E171-S174 PolarHBondContact O-N 3.41Å; E171-L175 VanDerWaalsContact O-CD1 3.23Å; E171-L175 WeakPolarHBondContact O-CD1 3.38Å; E171-L175 PolarHBondContact O-N 3.09Å
172V94.8Very high94.8Very high62 Ų6295.6 Ų95.638%0.37646%0.461SS..Hα-helixtrans-60-42.4177.1169.60000111.1L168 W169 L175 R176L168-V172 WeakPolarHBondContact O-CB 3.48Å; L168-V172 VanDerWaalsContact O-CG2 3.26Å; L168-V172 WeakPolarHBondContact O-CG2 3.34Å; L168-V172 PolarHBondContact O-N 2.99Å; W169-V172 PolarHBondContact O-N 2.92Å; V172-L175 PolarHBondContact O-N 3.31Å; V172-R176 WeakPolarHBondContact O-CB 3.32Å; V172-R176 WeakPolarHBondContact O-CG 3.37Å; V172-R176 PolarHBondContact O-N 2.95Å
173A94.3Very high94.8Very high52 Ų5293.4 Ų93.443%0.4345%0.452SS..Hα-helixtrans-62.3-44.5175.600000111.9W169 E171 R176 Q177W169-A173 WeakPolarHBondContact O-CB 3.22Å; W169-A173 PolarHBondContact O-N 2.94Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 3.38Å; A173-R176 PolarHBondContact O-N 3.05Å; A173-Q177 PolarHBondContact O-N 3.12Å
174S95.3Very high94.8Very high54 Ų5494.1 Ų94.138%0.37845%0.454SS..Hα-helixtrans-61.8-43.1175.2-176.70000112.2R170 E171 Q177 K178R170-S174 WeakPolarHBondContact O-CB 3.39Å; R170-S174 PolarHBondContact O-N 2.88Å; E171-S174 WeakPolarHBondContact O-CB 3.33Å; E171-S174 PolarHBondContact O-N 3.41Å; S174-Q177 PolarHBondContact O-N 3.27Å; S174-K178 WeakPolarHBondContact O-CG 3.36Å; S174-K178 PolarHBondContact O-N 2.82Å
175L95.4Very high94.9Very high109 Ų10994.1 Ų94.157%0.57146%0.459SS*.Hα-helixtrans-63.9-44.8176.3-96.471.4000111.5E171 V172 Q177 K178 H179E171-L175 VanDerWaalsContact O-CD1 3.23Å; E171-L175 WeakPolarHBondContact O-CD1 3.38Å; E171-L175 PolarHBondContact O-N 3.09Å; V172-L175 PolarHBondContact O-N 3.31Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-Q177 PolarHBondContact O-N 3.05Å; L175-K178 PolarHBondContact O-N 3.07Å; L175-H179 WeakPolarHBondContact O-CB 3.28Å; L175-H179 PolarHBondContact O-N 3.23Å
176R95.9Very high94.9Very high159 Ų15993.2 Ų93.260%0.646%0.456SS*.Hα-helixtrans-59.8-42.1175.5-78.1-175.6175.4-174.90.4111.8V172 A173 H179 A180V172-R176 WeakPolarHBondContact O-CB 3.32Å; V172-R176 WeakPolarHBondContact O-CG 3.37Å; V172-R176 PolarHBondContact O-N 2.95Å; A173-R176 PolarHBondContact O-N 3.05Å; R176-H179 PolarHBondContact O-N 2.89Å; R176-A180 WeakPolarHBondContact O-CB 3.05Å; R176-A180 PolarHBondContact O-N 3.16Å
177Q95.5Very high94.9Very high125 Ų12593.8 Ų93.858%0.58446%0.461SS*.Hα-helixtrans-64.9-44176.618064.4-2.200112.3A173 S174 L175 H179 A180 Q181A173-Q177 PolarHBondContact O-N 3.12Å; S174-Q177 PolarHBondContact O-N 3.27Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-Q177 PolarHBondContact O-N 3.05Å; Q177-H179 VanDerWaalsContact C-N 3.34Å; Q177-A180 PolarHBondContact O-N 3.37Å; Q177-Q181 WeakPolarHBondContact O-CB 3.37Å; Q177-Q181 PolarHBondContact O-N 2.87Å
178K95.4Very high94.9Very high127 Ų12799.9 Ų99.955%0.55248%0.484SS*.Hα-helixtrans-61.3-43.1174.6-73.4174.8-175171.30111.4S174 L175 Q181 Q182S174-K178 WeakPolarHBondContact O-CG 3.36Å; S174-K178 PolarHBondContact O-N 2.82Å; L175-K178 PolarHBondContact O-N 3.07Å; K178-Q181 PolarHBondContact O-N 3.22Å; K178-Q182 WeakPolarHBondContact O-CG 3.47Å; K178-Q182 PolarHBondContact O-N 3.11Å
179H95.7Very high94.8Very high118 Ų118100 Ų10055%0.54649%0.485SS..Hα-helixtrans-61.7-45.7176.1-179.6-99.7000111.7L175 R176 Q177 Q181 Q182 Q183L175-H179 WeakPolarHBondContact O-CB 3.28Å; L175-H179 PolarHBondContact O-N 3.23Å; R176-H179 PolarHBondContact O-N 2.89Å; Q177-H179 VanDerWaalsContact C-N 3.34Å; H179-Q181 VanDerWaalsContact C-N 3.32Å; H179-Q181 PolarHBondContact O-N 2.79Å; H179-Q182 PolarHBondContact O-N 3.28Å; H179-Q183 WeakPolarHBondContact O-CB 3.38Å; H179-Q183 PolarHBondContact O-N 2.85Å
180A94.3Very high94.8Very high38 Ų3897.1 Ų97.131%0.31448%0.479SS..Hα-helixtrans-61.2-39.3175.300000112.3R176 Q177 Q183 K184R176-A180 WeakPolarHBondContact O-CB 3.05Å; R176-A180 PolarHBondContact O-N 3.16Å; Q177-A180 PolarHBondContact O-N 3.37Å; A180-Q183 PolarHBondContact O-N 2.99Å; A180-K184 WeakPolarHBondContact O-CG 3.36Å; A180-K184 PolarHBondContact O-N 2.75Å
181Q94.7Very high94.6Very high101 Ų10196.9 Ų96.947%0.47248%0.484SS..Hα-helixtrans-67.4-42.4175.7-174.464.78.600112.1Q177 K178 H179 Q183 K184 V185Q177-Q181 WeakPolarHBondContact O-CB 3.37Å; Q177-Q181 PolarHBondContact O-N 2.87Å; K178-Q181 PolarHBondContact O-N 3.22Å; H179-Q181 VanDerWaalsContact C-N 3.32Å; H179-Q181 PolarHBondContact O-N 2.79Å; Q181-Q183 VanDerWaalsContact C-N 3.32Å; Q181-Q183 PolarHBondContact O-N 2.97Å; Q181-K184 WeakPolarHBondContact O-CB 3.29Å; Q181-K184 PolarHBondContact O-N 2.88Å; Q181-V185 WeakPolarHBondContact O-CG2 3.34Å; Q181-V185 PolarHBondContact O-N 3.38Å
182Q94.8Very high94.5Very high127 Ų12798.7 Ų98.759%0.59349%0.49SS*.Hα-helixtrans-59.6-44173.1-75.8175.9-20.500110.8K178 H179 K184 V185 V186K178-Q182 WeakPolarHBondContact O-CG 3.47Å; K178-Q182 PolarHBondContact O-N 3.11Å; H179-Q182 PolarHBondContact O-N 3.28Å; Q182-K184 VanDerWaalsContact C-N 3.31Å; Q182-K184 PolarHBondContact O-N 3.4Å; Q182-V185 PolarHBondContact O-N 2.99Å; Q182-V185 VanDerWaalsContact O-N 3.09Å; Q182-V186 WeakPolarHBondContact O-CG2 3.43Å; Q182-V186 PolarHBondContact O-N 3.08Å
183Q94.9Very high94.3Very high83 Ų83100.7 Ų100.739%0.38850%0.499SS..Hα-helixtrans-60.7-39176.5-166.462.13900112.1H179 A180 Q181 V186 N187H179-Q183 WeakPolarHBondContact O-CB 3.38Å; H179-Q183 PolarHBondContact O-N 2.85Å; A180-Q183 PolarHBondContact O-N 2.99Å; Q181-Q183 VanDerWaalsContact C-N 3.32Å; Q181-Q183 PolarHBondContact O-N 2.97Å; Q183-V186 PolarHBondContact O-N 2.88Å; Q183-N187 PolarHBondContact NE2-OD1 3.02Å; Q183-N187 VanDerWaalsContact O-CB 3.31Å; Q183-N187 WeakPolarHBondContact O-CB 3.46Å; Q183-N187 PolarHBondContact O-N 2.89Å; Q183-N187 PolarHBondContact O-ND2 3.22Å
184K95.1Very high94.1Very high118 Ų118102.1 Ų102.151%0.51350%0.498SS..Hα-helixtrans-62.5-41.7173.4-72.5172.5-175.2172.90112.1A180 Q181 Q182 K188A180-K184 WeakPolarHBondContact O-CG 3.36Å; A180-K184 PolarHBondContact O-N 2.75Å; Q181-K184 WeakPolarHBondContact O-CB 3.29Å; Q181-K184 PolarHBondContact O-N 2.88Å; Q182-K184 VanDerWaalsContact C-N 3.31Å; Q182-K184 PolarHBondContact O-N 3.4Å; K184-K188 WeakPolarHBondContact O-CG 3.29Å; K184-K188 PolarHBondContact O-N 2.71Å
185V95.3Very high93.7Very high72 Ų72103 Ų10344%0.43650%0.504SS..Hα-helixtrans-65.7-46.6176.41750000110.5Q181 Q182 N187 K188 L189Q181-V185 WeakPolarHBondContact O-CG2 3.34Å; Q181-V185 PolarHBondContact O-N 3.38Å; Q182-V185 PolarHBondContact O-N 2.99Å; Q182-V185 VanDerWaalsContact O-N 3.09Å; V185-N187 PolarHBondContact O-N 2.77Å; V185-K188 WeakPolarHBondContact O-CB 3.41Å; V185-K188 PolarHBondContact O-N 2.52Å; V185-L189 HydrophobicContact CG1-CD1 4.15Å; V185-L189 HydrophobicContact CG1-CG 4.37Å; V185-L189 WeakPolarHBondContact O-CG 3.37Å; V185-L189 PolarHBondContact O-N 3.33Å
186V94Very high93.3Very high65 Ų65101.2 Ų101.239%0.39450%0.495SS..Hα-helixtrans-59.2-46.8176.51720000110.8Q182 Q183 K188 L189 I190Q182-V186 WeakPolarHBondContact O-CG2 3.43Å; Q182-V186 PolarHBondContact O-N 3.08Å; Q183-V186 PolarHBondContact O-N 2.88Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.12Å; V186-L189 PolarHBondContact O-N 3.41Å; V186-L189 VanDerWaalsContact O-N 3.15Å; V186-I190 HydrophobicContact CG1-CD1 3.76Å; V186-I190 HydrophobicContact CG1-CG1 4.35Å; V186-I190 VanDerWaalsContact O-CG1 3.31Å; V186-I190 WeakPolarHBondContact O-CG1 3.44Å; V186-I190 PolarHBondContact O-N 3.45Å
187N93.6Very high92.8Very high73 Ų7397 Ų9739%0.3949%0.487SS..Hα-helixtrans-60.3-40.4176.2-73.8-13.9000112.1Q183 V185 I190 Q191Q183-N187 PolarHBondContact NE2-OD1 3.02Å; Q183-N187 VanDerWaalsContact O-CB 3.31Å; Q183-N187 WeakPolarHBondContact O-CB 3.46Å; Q183-N187 PolarHBondContact O-N 2.89Å; Q183-N187 PolarHBondContact O-ND2 3.22Å; V185-N187 PolarHBondContact O-N 2.77Å; N187-I190 PolarHBondContact O-N 3.11Å; N187-Q191 WeakPolarHBondContact O-CB 3.37Å; N187-Q191 VanDerWaalsContact O-CG 3.32Å; N187-Q191 WeakPolarHBondContact O-CG 3.27Å; N187-Q191 PolarHBondContact O-N 3.34Å
188K93.6Very high91.9Very high150 Ų15096.8 Ų96.865%0.65249%0.486SS*.Hα-helixtrans-65.2-40.8173.9-77-179.9178.9-174.60112.5K184 V185 V186 Q191 F192K184-K188 WeakPolarHBondContact O-CG 3.29Å; K184-K188 PolarHBondContact O-N 2.71Å; V185-K188 WeakPolarHBondContact O-CB 3.41Å; V185-K188 PolarHBondContact O-N 2.52Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.12Å; K188-Q191 PolarHBondContact O-N 3.38Å; K188-F192 WeakPolarHBondContact O-CB 3.46Å; K188-F192 PolarHBondContact O-N 3.37Å
189L94.5Very high90.5Very high96 Ų9693.4 Ų93.450%0.50348%0.478SS..Hα-helixtrans-64.4-43.9175.6-70.2175.5000111V185 V186 F192 L193V185-L189 HydrophobicContact CG1-CD1 4.15Å; V185-L189 HydrophobicContact CG1-CG 4.37Å; V185-L189 WeakPolarHBondContact O-CG 3.37Å; V185-L189 PolarHBondContact O-N 3.33Å; V186-L189 PolarHBondContact O-N 3.41Å; V186-L189 VanDerWaalsContact O-N 3.15Å; L189-F192 PolarHBondContact O-N 2.91Å; L189-L193 WeakPolarHBondContact O-CD1 3.16Å; L189-L193 PolarHBondContact O-N 2.87Å
190I93.5Very high88.7Confident86 Ų8693.9 Ų93.944%0.44149%0.485SS..Hα-helixtrans-60.1-46.9174.6-68.3168.6000110.2V186 N187 F192 L193 I194V186-I190 HydrophobicContact CG1-CD1 3.76Å; V186-I190 HydrophobicContact CG1-CG1 4.35Å; V186-I190 VanDerWaalsContact O-CG1 3.31Å; V186-I190 WeakPolarHBondContact O-CG1 3.44Å; V186-I190 PolarHBondContact O-N 3.45Å; N187-I190 PolarHBondContact O-N 3.11Å; I190-F192 VanDerWaalsContact C-N 3.33Å; I190-F192 PolarHBondContact O-N 3.4Å; I190-L193 PolarHBondContact O-N 3.24Å; I190-I194 HydrophobicContact CG2-CD1 3.7Å; I190-I194 HydrophobicContact CG2-CG1 4.32Å; I190-I194 WeakPolarHBondContact O-CB 3.23Å; I190-I194 VanDerWaalsContact O-CG1 3.25Å; I190-I194 WeakPolarHBondContact O-CG1 3.37Å; I190-I194 PolarHBondContact O-N 3.36Å
191Q90.4Very high87Confident133 Ų133102 Ų10262%0.62151%0.507SS*.Hα-helixtrans-60.5-40.2175.5-74.7178.317.200112.5N187 K188 I194 S195N187-Q191 WeakPolarHBondContact O-CB 3.37Å; N187-Q191 VanDerWaalsContact O-CG 3.32Å; N187-Q191 WeakPolarHBondContact O-CG 3.27Å; N187-Q191 PolarHBondContact O-N 3.34Å; K188-Q191 PolarHBondContact O-N 3.38Å; Q191-I194 PolarHBondContact O-N 3.19Å; Q191-S195 WeakPolarHBondContact O-CB 3.38Å; Q191-S195 PolarHBondContact O-N 3.36Å
192F92.9Very high85.1Confident124 Ų124103.6 Ų103.654%0.54452%0.518SS..Hα-helixtrans-65.2-43.7175.5179.6-107.9000112K188 L189 I190 S195 L196K188-F192 WeakPolarHBondContact O-CB 3.46Å; K188-F192 PolarHBondContact O-N 3.37Å; L189-F192 PolarHBondContact O-N 2.91Å; I190-F192 VanDerWaalsContact C-N 3.33Å; I190-F192 PolarHBondContact O-N 3.4Å; F192-S195 PolarHBondContact O-N 2.88Å; F192-L196 HydrophobicContact CD1-CD1 3.69Å; F192-L196 HydrophobicContact CE1-CD1 3.22Å; F192-L196 HydrophobicContact CE1-CG 4.17Å; F192-L196 HydrophobicContact CE2-CD1 4.27Å; F192-L196 HydrophobicContact CE2-CG 4.4Å; F192-L196 HydrophobicContact CG-CD1 4.4Å; F192-L196 HydrophobicContact CZ-CD1 3.55Å; F192-L196 HydrophobicContact CZ-CG 4.09Å; F192-L196 WeakPolarHBondContact O-CB 3.41Å; F192-L196 PolarHBondContact O-N 3.21Å
193L91.5Very high82.9Confident105 Ų105103.2 Ų103.255%0.5552%0.519SS..Hα-helixtrans-62.7-43.6174.2-93.781000111.5L189 I190 S195 L196 V197L189-L193 WeakPolarHBondContact O-CD1 3.16Å; L189-L193 PolarHBondContact O-N 2.87Å; I190-L193 PolarHBondContact O-N 3.24Å; L193-S195 VanDerWaalsContact C-N 3.34Å; L193-S195 PolarHBondContact O-N 3.25Å; L193-L196 PolarHBondContact O-N 3.04Å; L193-V197 WeakPolarHBondContact O-CB 3.47Å; L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.42Å; L193-V197 PolarHBondContact O-N 2.77Å
194I89.1Confident80.7Confident82 Ų82103.4 Ų103.442%0.42154%0.543SS..Hα-helixtrans-60.7-45.2175.4-69.2168000110I190 Q191 V197 Q198I190-I194 HydrophobicContact CG2-CD1 3.7Å; I190-I194 HydrophobicContact CG2-CG1 4.32Å; I190-I194 WeakPolarHBondContact O-CB 3.23Å; I190-I194 VanDerWaalsContact O-CG1 3.25Å; I190-I194 WeakPolarHBondContact O-CG1 3.37Å; I190-I194 PolarHBondContact O-N 3.36Å; Q191-I194 PolarHBondContact O-N 3.19Å; I194-V197 PolarHBondContact O-N 3.35Å; I194-Q198 HydrophobicContact CG2-CG 4.15Å; I194-Q198 VanDerWaalsContact O-CB 3.27Å; I194-Q198 WeakPolarHBondContact O-CB 3.42Å; I194-Q198 VanDerWaalsContact O-CG 3.26Å; I194-Q198 WeakPolarHBondContact O-CG 3.3Å; I194-Q198 PolarHBondContact O-N 2.93Å
195S88.1Confident78.8Confident71 Ų71102.3 Ų102.350%0.49755%0.546SS..Hα-helixtrans-62.9-40.4177-176.90000112.6Q191 F192 L193 S199Q191-S195 WeakPolarHBondContact O-CB 3.38Å; Q191-S195 PolarHBondContact O-N 3.36Å; F192-S195 PolarHBondContact O-N 2.88Å; L193-S195 VanDerWaalsContact C-N 3.34Å; L193-S195 PolarHBondContact O-N 3.25Å; S195-S199 WeakPolarHBondContact O-CB 3.43Å; S195-S199 PolarHBondContact O-N 3.12Å; S195-S199 PolarHBondContact O-OG 2.88Å
196L87.4Confident76.4Confident72 Ų72108.9 Ų108.938%0.37757%0.569SS.*Hα-helixtrans-64.9-42.6173.7-83.7168.2000112.5F192 L193 S199 N200F192-L196 HydrophobicContact CD1-CD1 3.69Å; F192-L196 HydrophobicContact CE1-CD1 3.22Å; F192-L196 HydrophobicContact CE1-CG 4.17Å; F192-L196 HydrophobicContact CE2-CD1 4.27Å; F192-L196 HydrophobicContact CE2-CG 4.4Å; F192-L196 HydrophobicContact CG-CD1 4.4Å; F192-L196 HydrophobicContact CZ-CD1 3.55Å; F192-L196 HydrophobicContact CZ-CG 4.09Å; F192-L196 WeakPolarHBondContact O-CB 3.41Å; F192-L196 PolarHBondContact O-N 3.21Å; L193-L196 PolarHBondContact O-N 3.04Å; L196-S199 WeakPolarHBondContact CA-OG 3.39Å; L196-S199 PolarHBondContact O-OG 2.94Å; L196-S199 VanDerWaalsContact O-OG 3.06Å; L196-N200 VanDerWaalsContact O-CB 3.24Å; L196-N200 WeakPolarHBondContact O-CB 3.47Å; L196-N200 PolarHBondContact O-N 3.28Å; L196-N200 PolarHBondContact O-ND2 3.24Å
197V84.2Confident74.7Confident71 Ų71116.2 Ų116.243%0.4359%0.589SS.*Hα-helixtrans-71.5-39.3178.9172.10000111L193 I194 R201L193-V197 WeakPolarHBondContact O-CB 3.47Å; L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.42Å; L193-V197 PolarHBondContact O-N 2.77Å; I194-V197 PolarHBondContact O-N 3.35Å; V197-R201 WeakPolarHBondContact O-CG 3.5Å; V197-R201 PolarHBondContact O-N 3.49Å; V197-R201 VanDerWaalsContact O-N 3.16Å
198Q77.4Confident72.6Confident121 Ų121122.6 Ų122.657%0.56561%0.614SS**Hα-helixtrans-67.6-44.7175.9-74.3178.8-5.200111.2I194 N200 R201 I202I194-Q198 HydrophobicContact CG2-CG 4.15Å; I194-Q198 VanDerWaalsContact O-CB 3.27Å; I194-Q198 WeakPolarHBondContact O-CB 3.42Å; I194-Q198 VanDerWaalsContact O-CG 3.26Å; I194-Q198 WeakPolarHBondContact O-CG 3.3Å; I194-Q198 PolarHBondContact O-N 2.93Å; Q198-N200 PolarHBondContact O-N 2.86Å; Q198-R201 PolarHBondContact O-N 3.48Å; Q198-I202 WeakPolarHBondContact O-CG1 3.28Å
199S65.3Low71.3Confident56 Ų56122.3 Ų122.339%0.39262%0.618SS.*Hα-helixtrans-64.9-36.2176570000113S195 L196 R201 I202S195-S199 WeakPolarHBondContact O-CB 3.43Å; S195-S199 PolarHBondContact O-N 3.12Å; S195-S199 PolarHBondContact O-OG 2.88Å; L196-S199 WeakPolarHBondContact CA-OG 3.39Å; L196-S199 PolarHBondContact O-OG 2.94Å; L196-S199 VanDerWaalsContact O-OG 3.06Å; S199-R201 VanDerWaalsContact C-N 3.31Å; S199-R201 PolarHBondContact O-N 2.99Å; S199-I202 PolarHBondContact O-N 3.48Å
200N58.7Low69.3Low128 Ų128123.6 Ų123.668%0.68463%0.632SS**Hα-helixtrans-73.1-17.5174.9-80.1-24.9000114.1L196 Q198 I202L196-N200 VanDerWaalsContact O-CB 3.24Å; L196-N200 WeakPolarHBondContact O-CB 3.47Å; L196-N200 PolarHBondContact O-N 3.28Å; L196-N200 PolarHBondContact O-ND2 3.24Å; Q198-N200 PolarHBondContact O-N 2.86Å; N200-I202 VanDerWaalsContact C-N 3.3Å
201R57Low67.4Low208 Ų208126.8 Ų126.879%0.78565%0.649SS**THydrogen-bonded Turntrans-78-11.4172.9-75.5-175.6-149.5-137.98.7113.5V197 Q198 S199V197-R201 WeakPolarHBondContact O-CG 3.5Å; V197-R201 PolarHBondContact O-N 3.49Å; V197-R201 VanDerWaalsContact O-N 3.16Å; Q198-R201 PolarHBondContact O-N 3.48Å; S199-R201 VanDerWaalsContact C-N 3.31Å; S199-R201 PolarHBondContact O-N 2.99Å
202I54.8Low65.9Low135 Ų135128.4 Ų128.469%0.69266%0.659SS**THydrogen-bonded Turntrans-106-9.9-172.6-15.7-179.6000114.4Q198 S199 N200Q198-I202 WeakPolarHBondContact O-CG1 3.28Å; S199-I202 PolarHBondContact O-N 3.48Å; N200-I202 VanDerWaalsContact C-N 3.3Å
203L50.5Low63.7Low118 Ų118130.4 Ų130.462%0.61867%0.674SS**  trans-133.883176.5-85.498.9000113V205L203-V205 HydrophobicContact CB-CG2 4.34Å; L203-V205 HydrophobicContact CD2-CG2 4.01Å; L203-V205 HydrophobicContact CG-CG2 4.34Å; L203-V205 PolarHBondContact O-N 2.84Å
204G48.4Very low61.6Low88 Ų88130.4 Ų130.491%0.90768%0.683SS**  trans-6776.4150.400000110.6
205V54.1Low59.3Low94 Ų94134 Ų13457%0.5770%0.703SS**  trans-137102172.5-163.70000110.6L203 R207L203-V205 HydrophobicContact CB-CG2 4.34Å; L203-V205 HydrophobicContact CD2-CG2 4.01Å; L203-V205 HydrophobicContact CG-CG2 4.34Å; L203-V205 PolarHBondContact O-N 2.84Å; V205-R207 PolarHBondContact O-N 2.93Å
206K45.9Very low57.3Low210 Ų210136.2 Ų136.291%0.91372%0.719SS**  trans-23.1117159.5-93.7176.5159.21680113.2
207R57.5Low55.2Low219 Ų219140.3 Ų140.383%0.82674%0.741SS**  trans-135.2121.5149.1-67.6-167.5-154125.96.6111V205V205-R207 PolarHBondContact O-N 2.93Å
208K50.2Low53.5Low208 Ų208142.8 Ų142.890%0.90476%0.762SS**  trans-59.9130.2173.6-76.6175.5167.9-179.80110
209I65.7Low51.8Low144 Ų144140.7 Ų140.774%0.73876%0.764SS**  trans-83.1122.9163.6-61.4157.8000106.9L211I209-L211 HydrophobicContact CG2-CG 4.49Å; I209-L211 PolarHBondContact O-N 2.88Å
210P52.1Low51Low123 Ų123146.5 Ų146.580%0.79979%0.785SS**  trans-84.7102.9165.419.1-4.3000108.6
211L54.1Low50.7Low153 Ų153145.1 Ų145.180%0.80179%0.785SS**  trans-76.2116.2160.8-84.7152.4000107.9I209I209-L211 HydrophobicContact CG2-CG 4.49Å; I209-L211 PolarHBondContact O-N 2.88Å
212M59.8Low50.4Low166 Ų166141.9 Ų141.982%0.81879%0.789SS**  trans-139.7108.6159.3-74.9-158.869.700109.9
213L46Very low50.3Low166 Ų166141 Ų14187%0.86979%0.792SS**  trans-81.8126.1161-69.5163.2000106.9
214S47.4Very low49.9Very low105 Ų105144.8 Ų144.873%0.73480%0.803SS**  trans-157.5105.1159.7-65.90000109
215D39.7Very low50Low157 Ų157151.5 Ų151.584%0.8480%0.803SS**  trans-59.2137165.3-62.5-61000110.5
216S47.7Very low49.6Very low118 Ų118150.6 Ų150.683%0.82581%0.813SS**  trans167.2119139.3-76.30000112
217N42Very low49.8Very low159 Ų159152.6 Ų152.685%0.8582%0.815SS**  trans8.6119.7151.8-74.310.5000119.3
218S49.1Very low48.9Very low123 Ų123149.8 Ų149.886%0.8681%0.811SS**  166.7148.3110.252.50000111.2
219A41Very low48.5Very low76 Ų76149.7 Ų149.763%0.62881%0.806SS**  trans-56.6149.5-174.300000114.4
220H49.6Very low47.6Very low178 Ų178148.9 Ų148.982%0.82481%0.813SS**  163125.4117.5-87.6-72.9000113.5
221S51Low47Very low99 Ų99149.7 Ų149.769%0.69281%0.81SS**  trans41.9125.4143.564.90000122.6
222V51.9Low46.6Very low141 Ų141151.6 Ų151.686%0.85582%0.815SS**  trans-38.3149158.1-670000116
223P53Low45.8Very low116 Ų116150.5 Ų150.575%0.75381%0.807SS**  trans-123140.4153.315.45.5000113.7
224K41.8Very low46Very low197 Ų197149.6 Ų149.686%0.85781%0.809SS**  trans-118.3115.8176.3-165.3-178-169.3176.70107.7
225Y50.6Low45.7Very low229 Ų229153.3 Ų153.390%0.89881%0.814SS**  trans-153.8133.2166.3-67.7-80.5000105.9
226G45Very low45.9Very low76 Ų76149 Ų14978%0.78481%0.806SS**  cis122.2107.919.200000109.1
227R50.1Low45.9Very low252 Ų252150 Ų15095%0.95181%0.81SS**  trans-165.1135.5154.9-135.4-173.2-110.6-112.94.2112.6
228Q38.2Very low45.9Very low160 Ų160145.9 Ų145.975%0.74881%0.805SS**  trans-115.4-171.1-176.7-128-174-3300110.9
229Y42.5Very low45.9Very low206 Ų206144.7 Ų144.781%0.80880%0.795SS**  trans93132.8169.7-39.4-65.4000115.3
230S46.9Very low46.2Very low127 Ų127151 Ų15189%0.88880%0.803SS**  cis-156.1160.120-159.30000112.6
231L40.3Very low46.2Very low139 Ų139148 Ų14873%0.72880%0.802SS**  trans-106.6141-177.2174.177.1000110.4
232E45.9Very low45.9Very low194 Ų194148 Ų14891%0.90781%0.808SS**  trans-144.8133.2156-151.2167.7176.700111
233H42.7Very low45.5Very low142 Ų142147.2 Ų147.266%0.65781%0.807SS**  trans-104.1145.3-174.3-95.431.7000110.3
234V49.2Very low44.9Very low148 Ų148147.3 Ų147.390%0.89781%0.81SS**  trans-150.7135.3136.5179.40000110.6
235H41.8Very low45.1Very low183 Ų183144 Ų14485%0.84781%0.808SS**  trans-41.4161.9169.7-86.242.2000115.5
236G43.4Very low44.6Very low65 Ų65137.2 Ų137.267%0.6780%0.8SS**  cis168.6174.720.500000108.6
237P49.1Very low44.6Very low140 Ų140144.2 Ų144.291%0.90980%0.804SS**  trans-116.2165.7-133.139.8-31.6000116.9
238G41.6Very low44.3Very low72 Ų72137 Ų13774%0.74279%0.792SS**  trans163.3132.5158.100000113.8
239P47.9Very low44.3Very low99 Ų99134.4 Ų134.464%0.64379%0.792SS**  trans-107.3-176.9-155.119.72.8000114.3
240Y49Very low44.4Very low207 Ų207129.5 Ų129.581%0.81279%0.787SS**  trans113.4118.3157.5-53.1-65.8000117.4
241S48.9Very low44.1Very low115 Ų115127.9 Ų127.980%0.80478%0.776SS**  trans92.4104.6142.1-57.70000120.6
242A45.4Very low44.4Very low99 Ų99127.3 Ų127.382%0.81877%0.773SS**  trans63.3125.5137.900000120.7
243P42.1Very low44.3Very low126 Ų126127.6 Ų127.682%0.81877%0.768SS**  trans-108.7130.7168.235.8-24.1000113.2
244S41.8Very low44.2Very low117 Ų117126.4 Ų126.482%0.81878%0.775SS**  trans171.4150.6143.9-77.50000107.5
245P45Very low43.7Very low127 Ų127123.9 Ų123.983%0.82576%0.764SS**  cis-136.7-178.324.833.5-10.1000115.4
246A40.1Very low43.5Very low87 Ų87122.6 Ų122.672%0.71976%0.763SS**  trans-51.2159.4178.400000116.2
247Y45.8Very low43.4Very low224 Ų224123.4 Ų123.488%0.87876%0.763SS**  trans-167137.7138.8-118.6-95.6000110.9
248S42.2Very low43.2Very low99 Ų99123 Ų12369%0.69276%0.758SS**  trans71.4147.8147-76.30000121.1
249S39.9Very low43.4Very low106 Ų106125.9 Ų125.974%0.74176%0.762SS**  cis173.1147.2-7.851.30000106.8
250S44.3Very low43.1Very low103 Ų103127.5 Ų127.572%0.7278%0.775SS**  trans158.496.3140.81720000109.8
251S39.7Very low43.1Very low94 Ų94123.1 Ų123.166%0.65778%0.775SS**  60.9127.196.548.20000114.3
252L47.1Very low43.2Very low126 Ų126120.3 Ų120.366%0.6676%0.764SS**  -168.3156.364.3-71.3152.5000114.5
253Y44Very low44.1Very low201 Ų201121.8 Ų121.879%0.78877%0.765SS**  trans80103.8160-48.3-63000118.9
254S39.2Very low44.8Very low117 Ų117123 Ų12382%0.81876%0.763SS**  60.5134.268.4-74.30000114.9
255S39.1Very low45.2Very low95 Ų95124.9 Ų124.966%0.66476%0.763SS**  cis-168.2157.42.5-108.90000109.5
256D38.5Very low45.5Very low156 Ų156123.8 Ų123.883%0.83476%0.758SS**  trans63.3147.9154.1-65.9-23.9000120.2
257A40.4Very low46.3Very low81 Ų81127.3 Ų127.367%0.66977%0.765SS**  cis-174.9146.4-13.300000106.8
258V44.8Very low46.4Very low132 Ų132123.8 Ų123.880%0.876%0.76SS**  trans66.996.8150.7-174.70000119.1
259T46.2Very low47Very low133 Ų133125.9 Ų125.982%0.81677%0.768SS**  167.6127.6115.836.40000109.6S261T259-S261 PolarHBondContact O-N 2.76Å
260S41.4Very low47.2Very low133 Ų133128.6 Ų128.693%0.9377%0.769SS**  trans-65.3114.2177.2166.20000110.7
261S49.6Very low47.3Very low114 Ų114132.2 Ų132.280%0.79778%0.779SS**  trans-144.8105.3164.4-169.40000108.2T259T259-S261 PolarHBondContact O-N 2.76Å
262G50.1Low47.5Very low56 Ų56132.3 Ų132.358%0.57779%0.786SS**PPolyproline II helixtrans-76.5146.2174.200000111.1I264G262-I264 PolarHBondContact O-N 3.24Å
263P64.7Low47.3Very low131 Ų131131.8 Ų131.885%0.85179%0.79SS**PPolyproline II helixtrans-73123.2-177.227.6-31.2000111.7
264I58.1Low47.5Very low150 Ų150129 Ų12977%0.76979%0.794SS**PPolyproline II helixtrans-77.1126.4167.6-65.8167.7000108.4G262G262-I264 PolarHBondContact O-N 3.24Å
265I48.2Very low47.8Very low158 Ų158128.3 Ų128.381%0.8179%0.79SS**PPolyproline II helixtrans-80118.4169.3-61.1170.9000107.2
266S52.5Low48.2Very low103 Ų103129.3 Ų129.372%0.7279%0.794SS**PPolyproline II helixtrans-97.6121.8175-600000109.6
267D57.1Low48.4Very low161 Ų161129.4 Ų129.486%0.86179%0.793SS**PPolyproline II helixtrans-72.8129.9169.2-79.4-37.3000110.5
268I47Very low48.5Very low151 Ų151129.5 Ų129.577%0.77479%0.794SS**PPolyproline II helixtrans-93.4121.1174.1-129.4162.6000107.3
269T55.6Low48.6Very low142 Ų142128.6 Ų128.687%0.87179%0.794SS**  trans-145.8109.8151.1-660000106.9
270E43.8Very low48.6Very low163 Ų163128.5 Ų128.576%0.76280%0.795SS**  trans-61.9142.6175.2-55.8-176.5157.800110.5
271L45.8Very low48.6Very low179 Ų179125.7 Ų125.794%0.93779%0.787SS**  trans-172.9135131.4-90.5175000108.5
272A45.1Very low48.1Very low96 Ų96132 Ų13279%0.79379%0.793SS**  trans-67.5156.2-154.700000118.2
273P42.4Very low47.5Very low115 Ų115134 Ų13475%0.74780%0.799SS**  trans-118.8138.2157.235.9-22.5000112.6
274T48.5Very low46.5Very low143 Ų143134.9 Ų134.988%0.87780%0.795SS**  trans-118.9108.3159.653.30000109.2
275S45.9Very low45.7Very low103 Ų103134.9 Ų134.972%0.7280%0.796SS**  trans-77.2-169.3164.1-34.60000110.1
276P46.6Very low45.4Very low115 Ų115135.7 Ų135.775%0.74780%0.797SS**  cis-142-179.5-10.730.5-7.2000115.2
277L43.2Very low44.9Very low159 Ų159141.8 Ų141.883%0.83280%0.804SS**  112113.9128.2-153.864.1000119.7
278A42.1Very low44.2Very low82 Ų82139.9 Ų139.968%0.67880%0.8SS**  trans56.9145.314200000119.4
279S47.3Very low43.7Very low114 Ų114140.7 Ų140.780%0.79781%0.805SS**  cis-174.9170.8-1.4-99.50000106.1
280P45.4Very low43Very low130 Ų130139.8 Ų139.884%0.84481%0.805SS**  trans-106.9170-141.139.7-35.4000116.3
281G40.9Very low42.8Very low74 Ų74137.2 Ų137.276%0.76381%0.805SS**  trans168.9118.2159.500000117.2
282R39Very low42.4Very low246 Ų246133.5 Ų133.593%0.92879%0.794SS**  trans57112153.5-93.8179.4155.9171.7-6.2118.9
283S37.8Very low41.8Very low100 Ų100135.4 Ų135.470%0.69980%0.796SS**  88.5109.981.2-178.60000112.9
284I44.1Very low41.7Very low149 Ų149137.4 Ų137.476%0.76480%0.8SS**  trans158.5123.9131.7-82.3163.1000109.6
285D41.1Very low41.5Very low149 Ų149137 Ų13780%0.79780%0.797SS**  trans43.5151.2151.7-76.5-48.2000124.8
286E42.6Very low41.1Very low176 Ų176143.4 Ų143.482%0.82281%0.805SS**  trans95.397156.7-62.1-126.2104.800119.6
287R42Very low41Very low230 Ų230144.5 Ų144.587%0.86881%0.81SS**  trans19.8124.9130.9-154.7168.1-156.3152.44.6118.1
288P41.7Very low41.2Very low121 Ų121145.7 Ų145.779%0.78681%0.808SS**  trans-83.2126.3-179.531.6-30.9000112.7
289L36.4Very low41.2Very low168 Ų168150.5 Ų150.588%0.8882%0.816SS**  trans-74123.1152.3-75.8158.3000108.2
290S41.6Very low40.9Very low123 Ų123153.3 Ų153.386%0.8682%0.817SS**  trans-108.3124.1158.6-91.70000109.7
291S40.4Very low41.1Very low110 Ų110152.2 Ų152.277%0.76981%0.81SS**  trans-76.7129.1-168.8-37.70000112.4
292S36.5Very low41.1Very low100 Ų100154.4 Ų154.470%0.69981%0.81SS**  trans22.5111.8133176.50000119.1
293T33.3Very low41.3Very low137 Ų137148.3 Ų148.384%0.8481%0.806SS**  trans-132.4107.4134.5-58.20000108.6
294L40.4Very low41.5Very low157 Ų157149.3 Ų149.382%0.82281%0.81SS**  trans-82.4125.6171.7-75.4167.8000109.8
295V42.3Very low41.4Very low135 Ų135147.4 Ų147.482%0.81881%0.807SS**  trans-131.5125.2150179.90000108.7
296R39.3Very low41.2Very low236 Ų236150 Ų15089%0.89181%0.814SS**  trans-82.1112.9-169.8-179.2-179.3-173.2151.70.6110
297V43.7Very low40.8Very low139 Ų139146.6 Ų146.684%0.84281%0.81SS**PPolyproline II helixtrans-85.4119.7165.6177.10000108.3
298K48.4Very low40.7Very low183 Ų183141 Ų14180%0.79680%0.804SS**PPolyproline II helixtrans-88.4121173.6-179.5173.4172.2-177.20108.7
299Q40Very low40.5Very low183 Ų183146.4 Ų146.486%0.85581%0.808SS**PPolyproline II helixtrans-84.6143.7174.5-17717936.400110.5
300E41Very low40.4Very low173 Ų173143.2 Ų143.281%0.80880%0.796SS**  trans-140.2143.3162-166.5163.616300109.4
301P49.6Very low40.4Very low108 Ų108144.6 Ų144.670%0.70179%0.792SS**  trans-101.6169.2-149.639.6-34.1000115
302P41.8Very low40.1Very low119 Ų119148 Ų14877%0.77380%0.796SS**  trans-96.3155.5-175.637.2-31.5000113.3
303S43.8Very low39.9Very low119 Ų119147.5 Ų147.583%0.83280%0.798SS**  trans-161.6153.4164-78.90000112.4
304P42.3Very low40Very low120 Ų120146.2 Ų146.278%0.77979%0.794SS**  -130.1-153-129.948.4-31.4000113
305P40.3Very low39.9Very low110 Ų110144.7 Ų144.771%0.71479%0.794SS**  trans-108.2161.4-130.329.4-6.9000115.6
306H37.4Very low39.3Very low202 Ų202141.9 Ų141.994%0.93579%0.793SS**  trans-147.9134.8162.8-92.3-68.6000112.7
307S34.7Very low38.7Very low106 Ų106141.8 Ų141.874%0.74179%0.792SS**  trans-106.5-169174.761.70000110.2
308P40.4Very low38.2Very low113 Ų113141.3 Ų141.373%0.73479%0.792SS**  -130.5-163-58.133.8-13.4000111.9
309R35.8Very low37.5Very low233 Ų233137.1 Ų137.188%0.87979%0.786SS**  trans85.3140168.2-76.6-170.4133.6158.8-3116.1
310V35.4Very low37Very low102 Ų102133.3 Ų133.362%0.61878%0.78SS**  cis-174.3151.514.61150000110.4
311L40.7Very low36.9Very low151 Ų151133.4 Ų133.479%0.79178%0.782SS**  trans69.6137.3159.7-62.1164.2000117.3
312E35.1Very low36.3Very low183 Ų183135.2 Ų135.286%0.85579%0.786SS**  cis-161.6140.829.5-147.3174.7178.600109.9
313A31.5Very low36.4Very low88 Ų88134.8 Ų134.873%0.72778%0.781SS**  trans-89.2143.2173.600000109.6
314S35.7Very low36.4Very low110 Ų110134.9 Ų134.977%0.76978%0.779SS**  155.4175.580.4-112.90000107.6
315P39.1Very low36.3Very low125 Ų125136.1 Ų136.181%0.81278%0.778SS**  cis-137.5161.5-42.736-18.1000113.1
316G29.3Very low36.8Very low77 Ų77132.1 Ų132.179%0.79475%0.753SS**  trans174.891.5166.700000118.9
317R27.3Very low37.6Very low233 Ų233127.5 Ų127.588%0.87974%0.741SS**  trans56.6114.7141.9-164-179.7-168.7-174.92119.8
318P32Very low38.7Very low129 Ų129124.6 Ų124.684%0.83872%0.719SS**  trans-96.3122.6153.333-23.6000110.1
319S34.4Very low39.7Very low96 Ų96122.2 Ų122.267%0.67171%0.708SS**  trans-80.7130.2166.149.20000110.1M321S319-M321 PolarHBondContact O-N 3.28Å
320S30Very low40.9Very low103 Ų103116.8 Ų116.872%0.7269%0.692SS**  trans-31.9120.8161.1-157.80000112.6
321M38.6Very low42.3Very low175 Ų175116.3 Ų116.386%0.86268%0.684SS**  trans-132.6106.6159.5-84-81.3-116.500106.4S319S319-M321 PolarHBondContact O-N 3.28Å
322D36.1Very low43.1Very low146 Ų146113.9 Ų113.978%0.78167%0.672SS**  trans-55132.2177.7-70.9-72.8000111.7
323T44.4Very low44.5Very low110 Ų110108.7 Ų108.768%0.67566%0.656SS**  trans-90.7118.3171.7-540000108.4L325T323-L325 HydrophobicContact CG2-CD2 4.19Å; T323-L325 HydrophobicContact CG2-CG 4.41Å; T323-L325 PolarHBondContact O-N 2.96Å; T323-L325 VanDerWaalsContact O-N 3.11Å
324P43.6Very low46Very low121 Ų121108.6 Ų108.679%0.78664%0.643SS**  trans-78.1100.6171.930.4-28.8000108.6S326P324-S326 PolarHBondContact O-N 3.48Å
325L40.9Very low47Very low145 Ų145109 Ų10976%0.75964%0.635SS**  trans-80.8105169.4-64.4170.4000108.5T323T323-L325 HydrophobicContact CG2-CD2 4.19Å; T323-L325 HydrophobicContact CG2-CG 4.41Å; T323-L325 PolarHBondContact O-N 2.96Å; T323-L325 VanDerWaalsContact O-N 3.11Å
326S49.9Very low47.7Very low26 Ų26113.5 Ų113.518%0.18264%0.636CS.*  trans175.7124.9142.7-164.60000109.7E164 P324 T328 A329E164-S326 WeakPolarHBondContact OE1-CB 3.44Å; E164-S326 PolarHBondContact OE1-OG 3.44Å; P324-S326 PolarHBondContact O-N 3.48Å; S326-T328 PolarHBondContact O-N 2.73Å; S326-T328 PolarHBondContact OG-OG1 3.23Å; S326-T328 VanDerWaalsContact OG-OG1 3.06Å; S326-A329 PolarHBondContact O-N 2.99Å; S326-A329 VanDerWaalsContact O-N 3.13Å
327P54.7Low48.7Very low105 Ų105117.9 Ų117.968%0.68264%0.636SS**Hα-helixtrans-53.2-22.8173.1-2735.5000114.1I331P327-I331 WeakPolarHBondContact O-CG1 3.34Å; P327-I331 PolarHBondContact O-N 2.91Å
328T58.9Low49.5Very low46 Ų46111.2 Ų111.228%0.28263%0.625SS.*Hα-helixtrans-70.7-36.2-179.7-26.30000112.8S326 F330 I331 D332S326-T328 PolarHBondContact O-N 2.73Å; S326-T328 PolarHBondContact OG-OG1 3.23Å; S326-T328 VanDerWaalsContact OG-OG1 3.06Å; T328-F330 VanDerWaalsContact C-N 3.27Å; T328-F330 PolarHBondContact O-N 3.11Å; T328-I331 PolarHBondContact O-N 3.43Å; T328-D332 PolarHBondContact O-N 3.44Å
329A59.8Low49.9Very low62 Ų62113.4 Ų113.451%0.51262%0.624SS.*Hα-helixtrans-69.1-27.9179.100000112.4S326 S333S326-A329 PolarHBondContact O-N 2.99Å; S326-A329 VanDerWaalsContact O-N 3.13Å; A329-S333 PolarHBondContact O-N 3.27Å
330F62.1Low50Low120 Ų120114.5 Ų114.553%0.52663%0.629SS.*Hα-helixtrans-71.7-38.4175.2-169.7-105.1000111.6T328 S333 I334 C369T328-F330 VanDerWaalsContact C-N 3.27Å; T328-F330 PolarHBondContact O-N 3.11Å; F330-S333 PolarHBondContact O-N 3.32Å; F330-I334 HydrophobicContact CD1-CD1 3.62Å; F330-I334 HydrophobicContact CE1-CD1 3.44Å; F330-I334 VanDerWaalsContact CE1-CD1 3.44Å; F330-I334 HydrophobicContact CG-CD1 4.37Å; F330-I334 HydrophobicContact CZ-CD1 4.04Å; F330-I334 WeakPolarHBondContact O-CD1 3.14Å; F330-I334 VanDerWaalsContact O-CG1 3.29Å; F330-I334 WeakPolarHBondContact O-CG1 3.42Å; F330-I334 PolarHBondContact O-N 3.2Å; F330-C369 HydrophobicContact CZ-CB 4.44Å
331I64Low50.5Low91 Ų91116.1 Ų116.147%0.46764%0.635SS.*Hα-helixtrans-70-41.3179.8-63.3167.7000111.2P327 T328 S333 I334 L335P327-I331 WeakPolarHBondContact O-CG1 3.34Å; P327-I331 PolarHBondContact O-N 2.91Å; T328-I331 PolarHBondContact O-N 3.43Å; I331-S333 VanDerWaalsContact C-N 3.33Å; I331-S333 PolarHBondContact O-N 3.31Å; I331-I334 PolarHBondContact O-N 3.28Å; I331-L335 HydrophobicContact CG2-CD1 4.07Å; I331-L335 WeakPolarHBondContact O-CG 3.44Å; I331-L335 PolarHBondContact O-N 3.39Å
332D57.2Low50.5Low101 Ų101113.7 Ų113.754%0.5463%0.632SS.*Hα-helixtrans-66.3-33176.3-95.3-15.8000112.9T328 R336T328-D332 PolarHBondContact O-N 3.44Å; D332-R336 WeakPolarHBondContact O-CG 3.32Å; D332-R336 PolarHBondContact O-N 3.41Å
333S65.3Low50.4Low74 Ų74111.8 Ų111.852%0.51764%0.636SS.*Hα-helixtrans-66.6-38.1174.8-164.70000111.9A329 F330 I331A329-S333 PolarHBondContact O-N 3.27Å; F330-S333 PolarHBondContact O-N 3.32Å; I331-S333 VanDerWaalsContact C-N 3.33Å; I331-S333 PolarHBondContact O-N 3.31Å
334I63.2Low50.2Low86 Ų86111.1 Ų111.144%0.44164%0.642SS.*Hα-helixtrans-71.9-37.7179.2-66.2164.6000111.4F330 I331 E337 S338F330-I334 HydrophobicContact CD1-CD1 3.62Å; F330-I334 HydrophobicContact CE1-CD1 3.44Å; F330-I334 VanDerWaalsContact CE1-CD1 3.44Å; F330-I334 HydrophobicContact CG-CD1 4.37Å; F330-I334 HydrophobicContact CZ-CD1 4.04Å; F330-I334 WeakPolarHBondContact O-CD1 3.14Å; F330-I334 VanDerWaalsContact O-CG1 3.29Å; F330-I334 WeakPolarHBondContact O-CG1 3.42Å; F330-I334 PolarHBondContact O-N 3.2Å; I331-I334 PolarHBondContact O-N 3.28Å; I334-E337 PolarHBondContact O-N 3.35Å; I334-S338 PolarHBondContact O-OG 3.07Å
335L55.4Low50.1Low117 Ų117110.7 Ų110.761%0.61364%0.642SS**Hα-helixtrans-71.6-29.7179.8-72.2172.7000113I331I331-L335 HydrophobicContact CG2-CD1 4.07Å; I331-L335 WeakPolarHBondContact O-CG 3.44Å; I331-L335 PolarHBondContact O-N 3.39Å
336R54Low49.6Very low221 Ų221111.5 Ų111.583%0.83465%0.647SS**Hα-helixtrans-78.4-19.1177-69.7-172.4100.4157.77.9114.3D332 S338D332-R336 WeakPolarHBondContact O-CG 3.32Å; D332-R336 PolarHBondContact O-N 3.41Å; R336-S338 PolarHBondContact O-N 3.24Å
337E51.9Low49.1Very low169 Ų169117.4 Ų117.479%0.7968%0.682SS**THydrogen-bonded Turntrans-81.1-3.9179-145.8175.4160.500113.1I334I334-E337 PolarHBondContact O-N 3.35Å
338S43.7Very low48.3Very low92 Ų92116.9 Ų116.964%0.64369%0.687SS**THydrogen-bonded Turntrans-99.79.7-170.4-57.20000115.4I334 R336I334-S338 PolarHBondContact O-OG 3.07Å; R336-S338 PolarHBondContact O-N 3.24Å
339E39.5Very low47.6Very low175 Ų175120.2 Ų120.282%0.81871%0.709SS**  trans-98.3115.2-177.8-155.2178.7161.700112.2
340P36.9Very low46.7Very low120 Ų120125.1 Ų125.178%0.77972%0.723SS**PPolyproline II helixtrans-84.7119.6-177.932.1-29.8000111.1
341T40Very low45.6Very low137 Ų137125.5 Ų125.584%0.8473%0.731SS**PPolyproline II helixtrans-75.5132172.7-2.10000110.5
342P40.3Very low44.3Very low123 Ų123126.2 Ų126.280%0.79974%0.74SS**PPolyproline II helixtrans-82.1131.817831.7-30.1000111.2
343A33.4Very low43.3Very low106 Ų106128.1 Ų128.188%0.87676%0.755SS**PPolyproline II helixtrans-71.7137.3179.200000112.9
344A40.8Very low41.9Very low96 Ų96128.4 Ų128.479%0.79377%0.77SS**  trans-125.6100.3164.100000110.5
345S40.7Very low40.6Very low113 Ų113129.2 Ų129.279%0.7979%0.789SS**  trans30.6117.7145.7560000121.1
346N31.1Very low39.7Very low162 Ų162132.8 Ų132.887%0.86680%0.803SS**  trans-53.5139.5160.5-67.7-28000114.8
347T38.2Very low39.1Very low149 Ų149126.8 Ų126.891%0.91480%0.801SS**  trans-146.8125.2140.434.60000108.8
348A39Very low38.4Very low94 Ų94124.9 Ų124.978%0.77780%0.803SS**  trans-108.1-171.9-179.100000109.9
349P42.8Very low37.9Very low116 Ų116125.2 Ų125.275%0.75381%0.811SS**  -136.3-165.8-54.734.8-15.3000113.3
350M41.7Very low37.7Very low165 Ų165125.2 Ų125.281%0.81382%0.816SS**  trans86.3127.7172.3-56.5-1669500114.2
351D38.2Very low37.7Very low128 Ų128125 Ų12568%0.68482%0.815SS**  -16414655.2-130.3-30.2000114.5
352T37.7Very low37.3Very low106 Ų106124.8 Ų124.865%0.6581%0.813SS**  trans56.1116.6142.818.80000125.5
353T36.7Very low37.1Very low141 Ų141125.1 Ų125.187%0.86582%0.815SS**  trans70.7122.9131.640.60000122.7
354G35.1Very low37.1Very low80 Ų80124.9 Ų124.983%0.82581%0.807SS**  trans163.4109.4155.100000112.9
355A36.9Very low36.8Very low103 Ų103126 Ų12685%0.85181%0.805SS**  trans-71.4153.1-167.800000116
356Q35.3Very low36.6Very low193 Ų193126.7 Ų126.790%0.90281%0.806SS**  143.9123.8118.1-165.4167.711.800113.9
357A40.9Very low36.9Very low95 Ų95128 Ų12879%0.78581%0.807SS**  trans118.9119.5154.600000116.5
358P38Very low36.9Very low129 Ų129130 Ų13084%0.83880%0.803SS**  trans-105.6164.3-174.139.4-32.2000115.2
359A32.9Very low37Very low99 Ų99130.5 Ų130.582%0.81880%0.8SS**  trans97.491.6151.900000119.3
360L34.7Very low36.8Very low174 Ų174129.7 Ų129.791%0.91179%0.789SS**PPolyproline II helixtrans-93142.8149.7-84108.3000109.9
361P37.8Very low36.9Very low117 Ų117125.6 Ų125.676%0.7678%0.776SS**PPolyproline II helixtrans-94.4140.5154.130.1-17.9000111.3
362T31.9Very low37.5Very low132 Ų132124.6 Ų124.681%0.8177%0.774SS**PPolyproline II helixtrans-54147.4176.948.10000115.5
363P35.4Very low38.2Very low129 Ų129123.9 Ų123.984%0.83878%0.779SS**PPolyproline II helixtrans-97.1131151.531.7-21.2000111.1
364S33.6Very low38.9Very low102 Ų102121.1 Ų121.171%0.71377%0.765SS**PPolyproline II helixtrans-73.6138.5178.344.40000113.3
365T33.5Very low39.9Very low120 Ų120119.9 Ų119.974%0.73674%0.739SS**  trans47121.9144.554.20000120.5
366P36.6Very low41.4Very low126 Ų126120.1 Ų120.182%0.81873%0.726SS**  trans-82125171.833.2-29000110.7K368P366-K368 PolarHBondContact O-N 3.29Å
367E38.7Very low43.1Very low190 Ų190119.1 Ų119.189%0.88872%0.719SS**  trans-72.1120.1172-67.4-170.514400110C369E367-C369 PolarHBondContact O-N 3.14Å
368K38.3Very low44.6Very low190 Ų190120 Ų12083%0.82671%0.71SS**  trans-72.4114.9173.4-92.7172.3170.6174.80109.4P366 L370P366-K368 PolarHBondContact O-N 3.29Å; K368-L370 PolarHBondContact O-N 3.09Å; K368-L370 VanDerWaalsContact O-N 3.15Å
369C39.6Very low46.4Very low106 Ų106118.5 Ų118.572%0.71669%0.692SS**  trans-69.2104.4163.3-71.40000109.3F330 E367F330-C369 HydrophobicContact CZ-CB 4.44Å; E367-C369 PolarHBondContact O-N 3.14Å
370L40.3Very low48.4Very low98 Ų98117.1 Ų117.151%0.51367%0.671SS.*  trans-81.3123.6173.3-70.3169.9000109.5K368 C374 L375K368-L370 PolarHBondContact O-N 3.09Å; K368-L370 VanDerWaalsContact O-N 3.15Å; L370-C374 HydrophobicContact CD2-CB 4.33Å; L370-L375 HydrophobicContact CB-CD2 4.15Å
371S42.7Very low50.4Low79 Ų79111.6 Ų111.655%0.55265%0.646SS**  trans-55.5145168.8-178.70000110.6A373 C374S371-A373 PolarHBondContact O-N 2.91Å; S371-C374 WeakPolarHBondContact O-CA 3.49Å; S371-C374 WeakPolarHBondContact O-CB 3.41Å; S371-C374 PolarHBondContact O-N 3.43Å
372V52.2Low52.5Low107 Ų107111.4 Ų111.465%0.64864%0.639SS**G310 helixtrans-55.7-17.1175.9177.80000112.6C374V372-C374 PolarHBondContact O-N 3.46Å
373A52.1Low55Low91 Ų91109.8 Ų109.875%0.75262%0.622SS**G310 helixtrans-76.4-2.5170.900000114.7S371S371-A373 PolarHBondContact O-N 2.91Å
374C51.4Low57.4Low84 Ų84108.1 Ų108.157%0.56861%0.606SS**G310 helixtrans-1308.6-172.8-59.90000114.3L370 S371 V372L370-C374 HydrophobicContact CD2-CB 4.33Å; S371-C374 WeakPolarHBondContact O-CA 3.49Å; S371-C374 WeakPolarHBondContact O-CB 3.41Å; S371-C374 PolarHBondContact O-N 3.43Å; V372-C374 PolarHBondContact O-N 3.46Å
375L55.7Low59.8Low53 Ų53107.6 Ų107.628%0.27760%0.595SS.*  trans-80.4136.8-179.9-66.6173.3000110.7L370 E379L370-L375 HydrophobicContact CB-CD2 4.15Å; L375-E379 HydrophobicContact CB-CB 4.34Å; L375-E379 HydrophobicContact CD2-CB 4.31Å; L375-E379 WeakPolarHBondContact CD2-OE2 3.3Å
376D68.5Low62.2Low109 Ų109104.1 Ų104.158%0.58358%0.578SS**  trans-63.2152.4171.9-163.48.9000109.4N378 E379 L380D376-N378 PolarHBondContact O-N 3.35Å; D376-E379 PolarHBondContact O-N 3.44Å; D376-L380 PolarHBondContact O-N 2.79Å; D376-L380 VanDerWaalsContact O-N 3.14Å
377K70.3Confident64.4Low172 Ų172102.4 Ų102.475%0.74856%0.561SS**Hα-helixtrans-57-28.8-172.6-179.8175.8160.6166.30112.5S381K377-S381 PolarHBondContact O-N 3.26Å
378N72.7Confident66.6Low113 Ų11398 Ų9860%0.60454%0.543SS*.Hα-helixtrans-73.7-42.2176.6-72.662.2000112.5D376 L380 S381 D382D376-N378 PolarHBondContact O-N 3.35Å; N378-L380 VanDerWaalsContact C-N 3.34Å; N378-L380 PolarHBondContact O-N 3.07Å; N378-S381 WeakPolarHBondContact O-CB 3.28Å; N378-S381 PolarHBondContact O-N 3.1Å; N378-D382 PolarHBondContact O-N 3.17Å
379E74.9Confident68.7Low98 Ų9892 Ų9246%0.45853%0.525SS..Hα-helixtrans-68.8-33.2179.6-65.9179.7156.800112L375 D376 H383L375-E379 HydrophobicContact CB-CB 4.34Å; L375-E379 HydrophobicContact CD2-CB 4.31Å; L375-E379 WeakPolarHBondContact CD2-OE2 3.3Å; D376-E379 PolarHBondContact O-N 3.44Å; E379-H383 WeakPolarHBondContact O-CB 3.38Å; E379-H383 PolarHBondContact O-N 3.37Å; E379-H383 VanDerWaalsContact O-N 3.13Å
380L75.1Confident70.9Confident69 Ų6992.3 Ų92.336%0.36152%0.52SS..Hα-helixtrans-67.3-37.5172.1-176.664.3000111.9D376 N378 H383 L384D376-L380 PolarHBondContact O-N 2.79Å; D376-L380 VanDerWaalsContact O-N 3.14Å; N378-L380 VanDerWaalsContact C-N 3.34Å; N378-L380 PolarHBondContact O-N 3.07Å; L380-H383 PolarHBondContact O-N 3Å; L380-L384 HydrophobicContact CG-CD1 4.26Å; L380-L384 VanDerWaalsContact O-CG 3.3Å; L380-L384 WeakPolarHBondContact O-CG 3.32Å; L380-L384 PolarHBondContact O-N 3.12Å
381S77.9Confident73Confident58 Ų5892.6 Ų92.641%0.40652%0.521SS..Hα-helixtrans-63.6-48.2176.8-162.10000111K377 N378 H383 L384 D385K377-S381 PolarHBondContact O-N 3.26Å; N378-S381 WeakPolarHBondContact O-CB 3.28Å; N378-S381 PolarHBondContact O-N 3.1Å; S381-H383 VanDerWaalsContact C-N 3.26Å; S381-H383 PolarHBondContact O-N 3.33Å; S381-L384 PolarHBondContact O-N 3.08Å; S381-L384 VanDerWaalsContact O-N 3.16Å; S381-D385 PolarHBondContact O-N 2.88Å
382D81Confident74.9Confident113 Ų11393 Ų9360%0.60452%0.517SS*.Hα-helixtrans-62.2-35.3179-65.9-18.7000111.6N378 A386N378-D382 PolarHBondContact O-N 3.17Å; D382-A386 WeakPolarHBondContact O-CB 3.17Å; D382-A386 PolarHBondContact O-N 3.48Å; D382-A386 VanDerWaalsContact O-N 3.08Å
383H84.4Confident76.2Confident99 Ų9992.5 Ų92.546%0.45851%0.511SS..Hα-helixtrans-68.9-40.9175.2-170.966.8000113E379 L380 S381 A386 M387E379-H383 WeakPolarHBondContact O-CB 3.38Å; E379-H383 PolarHBondContact O-N 3.37Å; E379-H383 VanDerWaalsContact O-N 3.13Å; L380-H383 PolarHBondContact O-N 3Å; S381-H383 VanDerWaalsContact C-N 3.26Å; S381-H383 PolarHBondContact O-N 3.33Å; H383-A386 PolarHBondContact O-N 2.92Å; H383-M387 WeakPolarHBondContact O-CG 3.41Å; H383-M387 PolarHBondContact O-N 3.34Å; H383-M387 VanDerWaalsContact O-N 3.07Å
384L85.4Confident77.4Confident93 Ų9392.3 Ų92.349%0.48750%0.497SS..Hα-helixtrans-67.1-41.7176.2-70.3174.5000111.5L380 S381 A386 M387 D388L380-L384 HydrophobicContact CG-CD1 4.26Å; L380-L384 VanDerWaalsContact O-CG 3.3Å; L380-L384 WeakPolarHBondContact O-CG 3.32Å; L380-L384 PolarHBondContact O-N 3.12Å; S381-L384 PolarHBondContact O-N 3.08Å; S381-L384 VanDerWaalsContact O-N 3.16Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.05Å; L384-M387 HydrophobicContact CD2-CE 4.3Å; L384-M387 WeakPolarHBondContact O-CB 3.3Å; L384-M387 PolarHBondContact O-N 2.77Å; L384-D388 PolarHBondContact O-N 3.3Å
385D84Confident78.6Confident91 Ų9194 Ų9449%0.48750%0.497SS..Hα-helixtrans-64.1-34.8176.1-76.5-31.7000112S381 D388 S389S381-D385 PolarHBondContact O-N 2.88Å; D385-D388 PolarHBondContact O-N 2.78Å; D385-S389 WeakPolarHBondContact O-CB 3.39Å; D385-S389 PolarHBondContact O-N 2.82Å; D385-S389 PolarHBondContact O-OG 3.02Å
386A85.5Confident79.5Confident47 Ų4795 Ų9539%0.38851%0.505SS..Hα-helixtrans-68.6-37.6173.700000112.5D382 H383 L384 N390D382-A386 WeakPolarHBondContact O-CB 3.17Å; D382-A386 PolarHBondContact O-N 3.48Å; D382-A386 VanDerWaalsContact O-N 3.08Å; H383-A386 PolarHBondContact O-N 2.92Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.05Å; A386-N390 WeakPolarHBondContact O-CB 3.28Å; A386-N390 PolarHBondContact O-N 3.49Å; A386-N390 VanDerWaalsContact O-N 3.11Å
387M81.6Confident79.6Confident91 Ų9195.5 Ų95.545%0.44851%0.505SS..Hα-helixtrans-65.9-43.4173.3-76.9176.630.100111.8H383 L384 N390 L391H383-M387 WeakPolarHBondContact O-CG 3.41Å; H383-M387 PolarHBondContact O-N 3.34Å; H383-M387 VanDerWaalsContact O-N 3.07Å; L384-M387 HydrophobicContact CD2-CE 4.3Å; L384-M387 WeakPolarHBondContact O-CB 3.3Å; L384-M387 PolarHBondContact O-N 2.77Å; M387-N390 PolarHBondContact O-N 3.44Å; M387-L391 PolarHBondContact O-N 3.35Å
388D85Confident79.6Confident97 Ų9793.4 Ų93.452%0.51950%0.501SS..Hα-helixtrans-63.6-46.1178.7-129.116.6000110.6L384 D385 N390 L391 D392L384-D388 PolarHBondContact O-N 3.3Å; D385-D388 PolarHBondContact O-N 2.78Å; D388-N390 VanDerWaalsContact C-N 3.26Å; D388-N390 PolarHBondContact O-N 3.37Å; D388-L391 WeakPolarHBondContact O-CB 3.17Å; D388-L391 PolarHBondContact O-N 3.38Å; D388-D392 PolarHBondContact O-N 3.09Å
389S83.7Confident79.4Confident65 Ų6592.6 Ų92.646%0.45550%0.501SS..Hα-helixtrans-58.1-37.4174.8-60.20000112.7D385 N393D385-S389 WeakPolarHBondContact O-CB 3.39Å; D385-S389 PolarHBondContact O-N 2.82Å; D385-S389 PolarHBondContact O-OG 3.02Å; S389-N393 WeakPolarHBondContact O-CB 3.4Å; S389-N393 VanDerWaalsContact O-CG 3.23Å; S389-N393 PolarHBondContact O-N 3.22Å; S389-N393 PolarHBondContact O-ND2 3.5Å
390N85Confident78.8Confident112 Ų11292.1 Ų92.160%0.59951%0.508SS*.Hα-helixtrans-71.7-35176.1-82.4-17.2000112.5A386 M387 D388 N393 L394A386-N390 WeakPolarHBondContact O-CB 3.28Å; A386-N390 PolarHBondContact O-N 3.49Å; A386-N390 VanDerWaalsContact O-N 3.11Å; M387-N390 PolarHBondContact O-N 3.44Å; D388-N390 VanDerWaalsContact C-N 3.26Å; D388-N390 PolarHBondContact O-N 3.37Å; N390-N393 PolarHBondContact O-N 3.14Å; N390-L394 WeakPolarHBondContact O-CB 3.2Å; N390-L394 PolarHBondContact O-N 3.04Å
391L84.5Confident77.5Confident103 Ų10394.3 Ų94.354%0.53952%0.516SS..Hα-helixtrans-68.4-41.9174.1-74.9176.3000111.6M387 D388 N393 L394 Q395M387-L391 PolarHBondContact O-N 3.35Å; D388-L391 WeakPolarHBondContact O-CB 3.17Å; D388-L391 PolarHBondContact O-N 3.38Å; L391-N393 VanDerWaalsContact C-N 3.33Å; L391-N393 PolarHBondContact O-N 3.11Å; L391-L394 WeakPolarHBondContact O-CB 3.49Å; L391-L394 PolarHBondContact O-N 3.02Å; L391-L394 VanDerWaalsContact O-N 3.16Å; L391-Q395 WeakPolarHBondContact O-CB 3.36Å; L391-Q395 PolarHBondContact O-N 3.42Å
392D81.5Confident75.9Confident87 Ų8795.6 Ų95.647%0.46554%0.539SS..Hα-helixtrans-60.7-41.6172.8-85.3-51.5000111.7D388 L394 Q395 T396D388-D392 PolarHBondContact O-N 3.09Å; D392-L394 VanDerWaalsContact C-N 3.34Å; D392-L394 PolarHBondContact O-N 3.34Å; D392-Q395 PolarHBondContact O-N 2.98Å; D392-T396 WeakPolarHBondContact O-CB 3.5Å; D392-T396 WeakPolarHBondContact O-CG2 3.41Å; D392-T396 PolarHBondContact O-N 3.05Å; D392-T396 PolarHBondContact O-OG1 2.87Å
393N80.1Confident74Confident98 Ų9897.9 Ų97.952%0.52454%0.544SS..Hα-helixtrans-64-37.4174.3-76.4-37.1000112.3S389 N390 L391 T396 M397S389-N393 WeakPolarHBondContact O-CB 3.4Å; S389-N393 VanDerWaalsContact O-CG 3.23Å; S389-N393 PolarHBondContact O-N 3.22Å; S389-N393 PolarHBondContact O-ND2 3.5Å; N390-N393 PolarHBondContact O-N 3.14Å; L391-N393 VanDerWaalsContact C-N 3.33Å; L391-N393 PolarHBondContact O-N 3.11Å; N393-T396 VanDerWaalsContact CA-OG1 3.27Å; N393-T396 WeakPolarHBondContact CA-OG1 3.26Å; N393-T396 PolarHBondContact O-OG1 2.86Å; N393-M397 WeakPolarHBondContact O-CB 3.42Å; N393-M397 PolarHBondContact O-N 3.38Å
394L77Confident72Confident87 Ų8798.7 Ų98.746%0.45556%0.56SS.*Hα-helixtrans-69.1-44.2175.7-17373.1000111.1N390 L391 D392 T396 M397 L398N390-L394 WeakPolarHBondContact O-CB 3.2Å; N390-L394 PolarHBondContact O-N 3.04Å; L391-L394 WeakPolarHBondContact O-CB 3.49Å; L391-L394 PolarHBondContact O-N 3.02Å; L391-L394 VanDerWaalsContact O-N 3.16Å; D392-L394 VanDerWaalsContact C-N 3.34Å; D392-L394 PolarHBondContact O-N 3.34Å; L394-T396 PolarHBondContact O-N 3.28Å; L394-M397 PolarHBondContact O-N 3.09Å; L394-L398 HydrophobicContact CG-CD1 4.11Å; L394-L398 WeakPolarHBondContact O-CB 3.49Å; L394-L398 WeakPolarHBondContact O-CG 3.49Å; L394-L398 PolarHBondContact O-N 2.78Å
395Q76.2Confident70.2Confident120 Ų12098.9 Ų98.956%0.56157%0.565SS**Hα-helixtrans-61.6-44.2177.4-175.8178.3-3.400111.1L391 D392 L398 T399L391-Q395 WeakPolarHBondContact O-CB 3.36Å; L391-Q395 PolarHBondContact O-N 3.42Å; D392-Q395 PolarHBondContact O-N 2.98Å; Q395-L398 PolarHBondContact O-N 3.49Å; Q395-T399 WeakPolarHBondContact O-CB 3.21Å; Q395-T399 WeakPolarHBondContact O-CG2 3.39Å; Q395-T399 PolarHBondContact O-N 2.84Å; Q395-T399 PolarHBondContact O-OG1 3.39Å
396T75.1Confident68.2Low74 Ų74100.3 Ų100.345%0.45457%0.573SS.*Hα-helixtrans-65.6-35.817549.60000112.2D392 N393 L394 T399 S400D392-T396 WeakPolarHBondContact O-CB 3.5Å; D392-T396 WeakPolarHBondContact O-CG2 3.41Å; D392-T396 PolarHBondContact O-N 3.05Å; D392-T396 PolarHBondContact O-OG1 2.87Å; N393-T396 VanDerWaalsContact CA-OG1 3.27Å; N393-T396 WeakPolarHBondContact CA-OG1 3.26Å; N393-T396 PolarHBondContact O-OG1 2.86Å; L394-T396 PolarHBondContact O-N 3.28Å; T396-T399 WeakPolarHBondContact CA-OG1 3.36Å; T396-T399 PolarHBondContact O-OG1 3.5Å; T396-S400 WeakPolarHBondContact O-CB 3.36Å; T396-S400 PolarHBondContact O-N 2.93Å; T396-S400 PolarHBondContact O-OG 3.42Å
397M70.9Confident66.9Low119 Ų119102.1 Ų102.159%0.58658%0.579SS**Hα-helixtrans-65.9-42.3174.5-161.2-165.6-53.600111.9N393 L394 H401N393-M397 WeakPolarHBondContact O-CB 3.42Å; N393-M397 PolarHBondContact O-N 3.38Å; L394-M397 PolarHBondContact O-N 3.09Å; M397-H401 PolarHBondContact O-N 3.28Å
398L69.9Low65.5Low127 Ų127101.1 Ų101.167%0.66558%0.581SS**Hα-helixtrans-72-30.4179-70.4171.6000113.2L394 Q395L394-L398 HydrophobicContact CG-CD1 4.11Å; L394-L398 WeakPolarHBondContact O-CB 3.49Å; L394-L398 WeakPolarHBondContact O-CG 3.49Å; L394-L398 PolarHBondContact O-N 2.78Å; Q395-L398 PolarHBondContact O-N 3.49Å
399T69.9Low64Low97 Ų97100.3 Ų100.360%0.59559%0.588SS**Hα-helixtrans-88.7-29.9179.447.20000113.8Q395 T396Q395-T399 WeakPolarHBondContact O-CB 3.21Å; Q395-T399 WeakPolarHBondContact O-CG2 3.39Å; Q395-T399 PolarHBondContact O-N 2.84Å; Q395-T399 PolarHBondContact O-OG1 3.39Å; T396-T399 WeakPolarHBondContact CA-OG1 3.36Å; T396-T399 PolarHBondContact O-OG1 3.5Å
400S60.6Low62.5Low87 Ų87102.8 Ų102.861%0.60860%0.595SS**Hα-helixtrans-85.1-29.4-177.864.90000114.1T396T396-S400 WeakPolarHBondContact O-CB 3.36Å; T396-S400 PolarHBondContact O-N 2.93Å; T396-S400 PolarHBondContact O-OG 3.42Å
401H49.4Very low61.2Low116 Ų116102.4 Ų102.454%0.53759%0.592SS.*SBendtrans-99.5104.8176.2-83.7-71.3000110.6M397 F403M397-H401 PolarHBondContact O-N 3.28Å; H401-F403 HydrophobicContact CB-CD2 3.73Å; H401-F403 HydrophobicContact CB-CE2 3.69Å; H401-F403 PolarHBondContact O-N 3.29Å
402G42.6Very low59.5Low85 Ų85104.1 Ų104.188%0.87660%0.602SS**  trans-65.269.8174.500000113.8S404G402-S404 PolarHBondContact O-N 3.18Å
403F41.6Very low58Low161 Ų161106.6 Ų106.671%0.70662%0.615SS**  trans-79.594.6167.9-77.8-77.8000109.4H401 V405H401-F403 HydrophobicContact CB-CD2 3.73Å; H401-F403 HydrophobicContact CB-CE2 3.69Å; H401-F403 PolarHBondContact O-N 3.29Å; F403-V405 VanDerWaalsContact C-N 3.3Å; F403-V405 PolarHBondContact O-N 3.25Å; F403-V405 VanDerWaalsContact O-N 3.07Å
404S42.1Very low56.3Low115 Ų115109.7 Ų109.780%0.80462%0.624SS**  trans-70.685.6160.91670000108.6G402G402-S404 PolarHBondContact O-N 3.18Å
405V48.7Very low54.5Low98 Ų98108.8 Ų108.859%0.59463%0.625SS**  trans-90.1121.6161.2176.80000106.6F403 T407F403-V405 VanDerWaalsContact C-N 3.3Å; F403-V405 PolarHBondContact O-N 3.25Å; F403-V405 VanDerWaalsContact O-N 3.07Å; V405-T407 VanDerWaalsContact C-N 3.28Å; V405-T407 PolarHBondContact O-N 2.79Å
406D42.3Very low52.7Low121 Ų121109.4 Ų109.465%0.64764%0.639SS**  trans-60.490.5171.3-109.1-50.9000109S408D406-S408 PolarHBondContact O-N 3.38Å; D406-S408 PolarHBondContact OD1-OG 3.19Å
407T57.5Low50.8Low84 Ų84110.7 Ų110.752%0.51565%0.651SS.*THydrogen-bonded Turntrans-69.2-12.6176.247.70000112.1V405 A409 L410 L411V405-T407 VanDerWaalsContact C-N 3.28Å; V405-T407 PolarHBondContact O-N 2.79Å; T407-A409 VanDerWaalsContact C-N 3.3Å; T407-A409 PolarHBondContact O-N 3.07Å; T407-L410 PolarHBondContact O-N 2.95Å; T407-L411 VanDerWaalsContact O-CG 3.27Å; T407-L411 WeakPolarHBondContact O-CG 3.43Å; T407-L411 PolarHBondContact O-N 3.26Å; T407-L411 VanDerWaalsContact O-N 3.1Å
408S51.4Low49.5Very low70 Ų70111 Ų11149%0.4966%0.66SS.*Hα-helixtrans-50.2-44176.7-33.40000112.9D406 D412D406-S408 PolarHBondContact O-N 3.38Å; D406-S408 PolarHBondContact OD1-OG 3.19Å; S408-D412 PolarHBondContact O-N 3Å
409A53.2Low47.8Very low80 Ų80111.9 Ų111.966%0.66167%0.67SS**Hα-helixtrans-79.3-22.5-176.300000114T407T407-A409 VanDerWaalsContact C-N 3.3Å; T407-A409 PolarHBondContact O-N 3.07Å
410L54.2Low46.4Very low117 Ų117115 Ų11561%0.61368%0.68SS**Hα-helixtrans-87.4-27177.1-80.6171000112.2T407 F414T407-L410 PolarHBondContact O-N 2.95Å; L410-F414 WeakPolarHBondContact O-CD2 3.41Å
411L56.1Low45.3Very low104 Ų104115.7 Ų115.755%0.54568%0.682SS.*Hα-helixtrans-84.1-22.5-177.7-66.1171.4000113.3T407 L413 F414 S415T407-L411 VanDerWaalsContact O-CG 3.27Å; T407-L411 WeakPolarHBondContact O-CG 3.43Å; T407-L411 PolarHBondContact O-N 3.26Å; T407-L411 VanDerWaalsContact O-N 3.1Å; L411-L413 PolarHBondContact O-N 3.28Å; L411-F414 PolarHBondContact O-N 3.19Å; L411-S415 PolarHBondContact O-N 2.94Å; L411-S415 PolarHBondContact O-OG 3.43Å; L411-S415 VanDerWaalsContact O-OG 3.09Å
412D48.8Very low44.4Very low139 Ų139117.6 Ų117.674%0.74370%0.697SS**THydrogen-bonded Turntrans-67.8-18.3170.9-95.8-10.5000113.2S408S408-D412 PolarHBondContact O-N 3Å
413L49.7Very low44.4Very low139 Ų139121.8 Ų121.873%0.72870%0.695SS**THydrogen-bonded Turntrans-80.7-16.5176.5-148.979.4000113.1L411L411-L413 PolarHBondContact O-N 3.28Å
414F45.7Very low44.3Very low164 Ų164119.1 Ų119.172%0.71970%0.697SS**SBendtrans-123.210.6-171.3-70-75.6000114.3L410 L411 P416L410-F414 WeakPolarHBondContact O-CD2 3.41Å; L411-F414 PolarHBondContact O-N 3.19Å; F414-P416 WeakPolarHBondContact O-CD 3.36Å
415S39.3Very low44Very low67 Ų67121.6 Ų121.647%0.46970%0.7SS.*  trans-89.7113.1178.7-70.10000111.5L411 S417L411-S415 PolarHBondContact O-N 2.94Å; L411-S415 PolarHBondContact O-OG 3.43Å; L411-S415 VanDerWaalsContact O-OG 3.09Å; S415-S417 VanDerWaalsContact C-N 3.25Å; S415-S417 PolarHBondContact O-N 2.83Å
416P37Very low43.9Very low133 Ų133122.1 Ų122.186%0.86471%0.706SS**  trans-8826.8-174.436.5-33.9000113.4F414F414-P416 WeakPolarHBondContact O-CD 3.36Å
417S35.4Very low44Very low101 Ų101121.5 Ų121.571%0.70670%0.703SS**  trans-121.862.4-170.256.30000112.6S415S415-S417 VanDerWaalsContact C-N 3.25Å; S415-S417 PolarHBondContact O-N 2.83Å
418V44.1Very low43.7Very low127 Ų127124 Ų12477%0.7771%0.712SS**  trans-134.1106.3154.5-176.10000107.1M420V418-M420 HydrophobicContact CG1-CG 4.49Å; V418-M420 PolarHBondContact O-N 3.15Å
419T34.1Very low43.9Very low145 Ų145126.1 Ų126.189%0.8972%0.718SS**  trans-62.6111.9173.545.90000109.9
420M41.6Very low44.2Very low161 Ų161125.6 Ų125.679%0.79371%0.709SS**  trans-127.9145.8164.1-75.7-64.3-7500109.2V418V418-M420 HydrophobicContact CG1-CG 4.49Å; V418-M420 PolarHBondContact O-N 3.15Å
421P37.6Very low44.2Very low102 Ų102123 Ų12366%0.66270%0.701SS**  trans-82.7145.2-155.633.1-34.1000113.4M423P421-M423 PolarHBondContact O-N 2.8Å
422D29.7Very low44.3Very low157 Ų157121.5 Ų121.584%0.8469%0.693SS**  trans26.284.8157.7-152.418.4000116.9
423M43.3Very low44.9Very low172 Ų172117.6 Ų117.685%0.84768%0.68SS**  trans-126.4114.9158.4-72.2-70166.200107.3P421 L425P421-M423 PolarHBondContact O-N 2.8Å; M423-L425 PolarHBondContact O-N 3.33Å
424S37.7Very low45.3Very low105 Ų105114 Ų11473%0.73467%0.667SS**  trans-34.6122.7169.850.70000111.9P426S424-P426 WeakPolarHBondContact O-CD 3.26Å; S424-P426 VanDerWaalsContact O-N 3.13Å
425L36.9Very low46.1Very low167 Ų167110.2 Ų110.287%0.87465%0.653SS**  trans-39.5115.5171.7-82.8162000110.9M423 D427M423-L425 PolarHBondContact O-N 3.33Å; L425-D427 PolarHBondContact O-N 2.83Å
426P47.3Very low47.1Very low109 Ų109113.7 Ų113.771%0.70866%0.662SS**  trans-70.4126.7163.428.3-27.8000107.1S424 L428S424-P426 WeakPolarHBondContact O-CD 3.26Å; S424-P426 VanDerWaalsContact O-N 3.13Å; P426-L428 PolarHBondContact O-N 3.43Å
427D44.7Very low48.3Very low109 Ų109114.7 Ų114.758%0.58366%0.655SS**  trans-42.8127.6175.2-164.59.7000110.8L425 D429 S430L425-D427 PolarHBondContact O-N 2.83Å; D427-D429 PolarHBondContact O-N 3.5Å; D427-S430 WeakPolarHBondContact O-CB 3.25Å; D427-S430 PolarHBondContact O-N 2.83Å
428L51Low49.1Very low137 Ų137117.1 Ų117.172%0.71766%0.659SS**Hα-helixtrans-57.3-22.3-177.1-158.579000111.5P426 L432P426-L428 PolarHBondContact O-N 3.43Å; L428-L432 PolarHBondContact O-N 3.24Å
429D53.8Low49.1Very low114 Ų114115.7 Ų115.761%0.6165%0.647SS**Hα-helixtrans-68-31.4172.9-104.1-2000113.5D427 L432 A433D427-D429 PolarHBondContact O-N 3.5Å; D429-L432 PolarHBondContact O-N 3.38Å; D429-A433 WeakPolarHBondContact O-CB 3.4Å; D429-A433 PolarHBondContact O-N 3.37Å
430S60Low49.4Very low68 Ų68112.5 Ų112.548%0.47663%0.631SS.*Hα-helixtrans-72-36.2176.7-670000111.9D427 A433 S434D427-S430 WeakPolarHBondContact O-CB 3.25Å; D427-S430 PolarHBondContact O-N 2.83Å; S430-A433 PolarHBondContact O-N 2.95Å; S430-S434 PolarHBondContact O-N 3.38Å; S430-S434 PolarHBondContact O-OG 2.98Å
431S55.7Low49.5Very low64 Ų64110.6 Ų110.645%0.44863%0.63SS.*Hα-helixtrans-63.5-41.2172.5158.70000111.5I435S431-I435 WeakPolarHBondContact O-CD1 3.14Å; S431-I435 VanDerWaalsContact O-CG1 3.26Å; S431-I435 WeakPolarHBondContact O-CG1 3.32Å; S431-I435 PolarHBondContact O-N 2.76Å; S431-I435 VanDerWaalsContact O-N 3.09Å
432L56.5Low49.5Very low71 Ų71115 Ų11537%0.37264%0.642SS.*Hα-helixtrans-69.1-36.4175.2-82.9169000112.6L428 D429 I435 Q436L428-L432 PolarHBondContact O-N 3.24Å; D429-L432 PolarHBondContact O-N 3.38Å; L432-I435 PolarHBondContact O-N 2.71Å; L432-Q436 WeakPolarHBondContact O-CB 3.36Å; L432-Q436 PolarHBondContact O-N 2.69Å
433A61.4Low49.9Very low57 Ų57114.8 Ų114.847%0.47164%0.636SS.*Hα-helixtrans-62.9-44.2174.600000111.8D429 S430 I435 Q436 E437D429-A433 WeakPolarHBondContact O-CB 3.4Å; D429-A433 PolarHBondContact O-N 3.37Å; S430-A433 PolarHBondContact O-N 2.95Å; A433-I435 PolarHBondContact O-N 2.8Å; A433-Q436 PolarHBondContact O-N 3.41Å; A433-E437 WeakPolarHBondContact O-CB 3.42Å; A433-E437 PolarHBondContact O-N 3.48Å
434S59.6Low49.8Very low65 Ų65111.8 Ų111.846%0.45563%0.629SS.*Hα-helixtrans-65.5-36.9175.4-70.20000113S430 Q436 E437 L438S430-S434 PolarHBondContact O-N 3.38Å; S430-S434 PolarHBondContact O-OG 2.98Å; S434-Q436 VanDerWaalsContact C-N 3.31Å; S434-E437 PolarHBondContact O-N 3.41Å; S434-L438 VanDerWaalsContact O-CG 3.28Å; S434-L438 WeakPolarHBondContact O-CG 3.28Å; S434-L438 PolarHBondContact O-N 2.89Å
435I61.1Low49.7Very low83 Ų83112.8 Ų112.843%0.42663%0.633SS.*Hα-helixtrans-66.3-36.9174.3-68165.3000110.6S431 L432 A433 L438 L439S431-I435 WeakPolarHBondContact O-CD1 3.14Å; S431-I435 VanDerWaalsContact O-CG1 3.26Å; S431-I435 WeakPolarHBondContact O-CG1 3.32Å; S431-I435 PolarHBondContact O-N 2.76Å; S431-I435 VanDerWaalsContact O-N 3.09Å; L432-I435 PolarHBondContact O-N 2.71Å; A433-I435 PolarHBondContact O-N 2.8Å; I435-L438 PolarHBondContact O-N 3.28Å; I435-L439 HydrophobicContact CG2-CD1 3.81Å; I435-L439 WeakPolarHBondContact O-CB 3.46Å; I435-L439 WeakPolarHBondContact O-CD1 3.15Å; I435-L439 VanDerWaalsContact O-CG 3.26Å; I435-L439 WeakPolarHBondContact O-CG 3.11Å; I435-L439 PolarHBondContact O-N 3.02Å; I435-L439 VanDerWaalsContact O-N 3.15Å
436Q59.8Low49.5Very low140 Ų140115.3 Ų115.365%0.65463%0.631SS**Hα-helixtrans-73.2-29.7177.8-167.7144.3-4.600113.2L432 A433 S434 S440L432-Q436 WeakPolarHBondContact O-CB 3.36Å; L432-Q436 PolarHBondContact O-N 2.69Å; A433-Q436 PolarHBondContact O-N 3.41Å; S434-Q436 VanDerWaalsContact C-N 3.31Å; Q436-S440 PolarHBondContact O-N 3.15Å
437E62.7Low49Very low154 Ų154116.2 Ų116.272%0.7264%0.637SS**Hα-helixtrans-73.8-34.1174-159.6165.7-158.300111.9A433 S434A433-E437 WeakPolarHBondContact O-CB 3.42Å; A433-E437 PolarHBondContact O-N 3.48Å; S434-E437 PolarHBondContact O-N 3.41Å
438L52.4Low48.9Very low152 Ų152119 Ų11980%0.79665%0.65SS**Hα-helixtrans-74.5-22.3173.5-70.4172.3000113.9S434 I435S434-L438 VanDerWaalsContact O-CG 3.28Å; S434-L438 WeakPolarHBondContact O-CG 3.28Å; S434-L438 PolarHBondContact O-N 2.89Å; I435-L438 PolarHBondContact O-N 3.28Å
439L44.6Very low48.1Very low97 Ų97121.5 Ų121.551%0.50866%0.658SS.*THydrogen-bonded Turntrans-94.6-0.1177.1-70.5168.2000113.3E166 I435E166-L439 HydrophobicContact CG-CD2 4.2Å; I435-L439 HydrophobicContact CG2-CD1 3.81Å; I435-L439 WeakPolarHBondContact O-CB 3.46Å; I435-L439 WeakPolarHBondContact O-CD1 3.15Å; I435-L439 VanDerWaalsContact O-CG 3.26Å; I435-L439 WeakPolarHBondContact O-CG 3.11Å; I435-L439 PolarHBondContact O-N 3.02Å; I435-L439 VanDerWaalsContact O-N 3.15Å
440S40.7Very low47.3Very low79 Ų79120.6 Ų120.655%0.55267%0.667SS**SBendtrans-79.7132.6174-160.20000109.8Q436 Q442Q436-S440 PolarHBondContact O-N 3.15Å; S440-Q442 PolarHBondContact O-N 3.4Å
441P43.5Very low46.3Very low120 Ų120125.6 Ų125.678%0.77968%0.682SS**  trans-65.1106.2-179.8-4.816.5000109.6E443P441-E443 VanDerWaalsContact C-N 3.33Å; P441-E443 PolarHBondContact O-N 3.04Å
442Q36.4Very low45.3Very low194 Ų194128.9 Ų128.991%0.90770%0.695SS**  trans-70.895.2167.8-16618035.300107.9S440S440-Q442 PolarHBondContact O-N 3.4Å
443E38.3Very low44.3Very low154 Ų154130.4 Ų130.472%0.7271%0.711SS**PPolyproline II helixtrans-57.2125.7173.7-162.1176.5159.800109.6P441P441-E443 VanDerWaalsContact C-N 3.33Å; P441-E443 PolarHBondContact O-N 3.04Å
444P40.9Very low43.2Very low108 Ų108135 Ų13570%0.70173%0.728SS**PPolyproline II helixtrans-70.1141.6-178.826.4-31.5000110.9R446P444-R446 PolarHBondContact O-N 2.95Å
445P36.2Very low42.2Very low126 Ų126137.6 Ų137.682%0.81874%0.743SS**PPolyproline II helixtrans-70.3128.4-178.228.2-31.3000110.8
446R33Very low40.9Very low220 Ų220141.2 Ų141.283%0.8376%0.764SS**PPolyproline II helixtrans-62.5133.1177.5-55.4-177.5-147.8156.56.3111.2P444P444-R446 PolarHBondContact O-N 2.95Å
447P36.9Very low40Very low128 Ų128140.2 Ų140.283%0.83177%0.772SS**PPolyproline II helixtrans-83.3134.4165.7-0.218.8000110.5
448I42.2Very low38.5Very low169 Ų169136.1 Ų136.187%0.86777%0.771SS**PPolyproline II helixtrans-68.3139.6175.4-69.6165.9000110.3
449E33.4Very low37.8Very low188 Ų188138.7 Ų138.788%0.87978%0.776SS**PPolyproline II helixtrans-56.5135177.4-57.2171151.200113.2
450A38.6Very low37.5Very low96 Ų96143.4 Ų143.479%0.79380%0.795SS**  trans-169.9104.9145.300000111.9
451E37.6Very low37.7Very low172 Ų172147.6 Ų147.680%0.80481%0.81SS**  trans45.2118.7141.8-66.2-164.497.400123.4
452N34.7Very low37.8Very low134 Ų134148 Ų14872%0.71781%0.81SS**  81.9121.5128.4-69.3-22.9000123.1
453S36Very low37.9Very low102 Ų102146.5 Ų146.571%0.71380%0.803SS**  trans68.397.5144.9660000120.1
454N38.7Very low37.8Very low155 Ų155150 Ų15083%0.82981%0.811SS**  163.3145.493.8-102.2-17.6000110.8
455P39.5Very low37.8Very low118 Ų118150.8 Ų150.877%0.76681%0.814SS**  trans-88.6164.4178.237-31.7000111.5
456D32Very low37.9Very low160 Ų160149 Ų14986%0.85681%0.81SS**  trans98.692.8160.7-150.921.6000117.5
457S42.7Very low38.2Very low119 Ų119147.5 Ų147.583%0.83281%0.813SS**  trans-179.5131133.643.70000109.9
458G31.1Very low38.4Very low67 Ų67146.6 Ų146.669%0.69181%0.807SS**  trans-75.7-172.7-166.700000117.4
459K36.6Very low38.5Very low207 Ų207146.7 Ų146.790%0.981%0.808SS**  trans90.1107.8172.1-50.8169.7-173.9-178.60115.2
460Q38.2Very low38.8Very low195 Ų195147 Ų14791%0.91181%0.807SS**  -163.3101.2129.6-121.8170.2-16.100111.7
461L45.1Very low38.9Very low167 Ų167150.7 Ų150.787%0.87481%0.812SS**  trans-79.4124.1163.7-175.668.5000107H463L461-H463 PolarHBondContact O-N 3.36Å
462V45.3Very low39.2Very low128 Ų128149.8 Ų149.878%0.77681%0.812SS**  trans-69.8114.1178.71780000108.9
463H38.2Very low39.5Very low163 Ų163150.2 Ų150.276%0.75581%0.814SS**  trans-79.2113.8179-136.9-79.2000108.9L461 T465L461-H463 PolarHBondContact O-N 3.36Å; H463-T465 PolarHBondContact O-N 2.74Å
464Y37.2Very low39.6Very low227 Ų227150.6 Ų150.689%0.8982%0.815SS**  trans-72.4113.2162-93.5-93.4000107.9A466Y464-A466 PolarHBondContact O-N 3.25Å
465T40.3Very low39.5Very low126 Ų126150.7 Ų150.777%0.77382%0.815SS**  trans-88.195.9173.157.30000108.9H463H463-T465 PolarHBondContact O-N 2.74Å
466A39Very low39.6Very low88 Ų88150 Ų15073%0.72782%0.819SS**PPolyproline II helixtrans-78.5130.9153.900000107.5Y464Y464-A466 PolarHBondContact O-N 3.25Å
467Q38.1Very low40.2Very low189 Ų189149.1 Ų149.188%0.88382%0.819SS**PPolyproline II helixtrans-54.3125.4177.3-71.9169.8-18.300109.9L469Q467-L469 PolarHBondContact O-N 3.16Å
468P41.6Very low40.1Very low109 Ų109150.1 Ų150.171%0.70882%0.815SS**PPolyproline II helixtrans-76.7116172.76.58.4000108.4F470P468-F470 PolarHBondContact O-N 3.25Å
469L44.1Very low40.6Very low171 Ų171153 Ų15390%0.89582%0.82SS**PPolyproline II helixtrans-60116.6161-76.1171.7000107.9Q467 L471Q467-L469 PolarHBondContact O-N 3.16Å; L469-L471 PolarHBondContact O-N 2.75Å
470F40.4Very low40.7Very low195 Ų195146.1 Ų146.186%0.85581%0.807SS**  trans-61.9103.7172.8-80.8-88.8000109.5P468P468-F470 PolarHBondContact O-N 3.25Å
471L39.8Very low40.7Very low172 Ų172142.5 Ų142.590%0.90180%0.803SS**  trans-91.199.6162.5-169.671.6000106.8L469L469-L471 PolarHBondContact O-N 2.75Å
472L44Very low40.5Very low154 Ų154139.8 Ų139.881%0.80680%0.798SS**  trans-74.5123.5170.4-101.2107.7000109.7
473D40.8Very low40.3Very low142 Ų142142.1 Ų142.176%0.75980%0.801SS**  trans-70.7133.6172.6-157.915.3000110.3
474P40Very low40.4Very low111 Ų111141.6 Ų141.672%0.72180%0.803SS**  trans-100.589.9-18035.8-25.7000110.4
475D34.9Very low40.5Very low157 Ų157136 Ų13684%0.8480%0.795SS**  trans-158.685.4163.9-95.9-33.9000110.7
476A42.4Very low40.3Very low102 Ų102136.1 Ų136.184%0.84380%0.795SS**  trans-174.9113.5147.700000110.8
477V44.6Very low40.3Very low142 Ų142139 Ų13986%0.86180%0.797SS**  trans-50.6134.5166.5-148.40000111.1
478D39.6Very low40.3Very low140 Ų140139.9 Ų139.975%0.74980%0.798SS**  146.9113.2122.1-154.832.6000113.3
479T43.2Very low40Very low129 Ų129143.7 Ų143.779%0.79181%0.807SS**  trans53.1116.8138.5-52.50000121.5
480G37.1Very low39.9Very low62 Ų62143.8 Ų143.864%0.63981%0.807SS**  trans126.387.2136.900000117.9
481S40Very low39.6Very low118 Ų118137.6 Ų137.683%0.82580%0.798SS**  trans51.3126.9131.5-44.40000122
482S39.5Very low39.6Very low110 Ų110138.3 Ų138.377%0.76980%0.797SS**  trans92.8117147.413.80000121.3
483E41.3Very low39.3Very low178 Ų178135.9 Ų135.983%0.83279%0.793SS**  trans93.792.7144.6-70.2-174143.100122.4
484L41.2Very low39.1Very low151 Ų151134.1 Ų134.179%0.79179%0.791SS**  trans69.3157.8134.1-65.3179.9000121
485P38.7Very low39Very low111 Ų111139.1 Ų139.172%0.72180%0.798SS**  cis-130.2160.45.832.5-11.7000117.2
486V36.5Very low39.1Very low127 Ų127139.1 Ų139.177%0.7779%0.79SS**  trans-62.7133.6162.2170.40000110.5
487L39.5Very low39.1Very low150 Ų150140.2 Ų140.279%0.78579%0.792SS**  trans-15085.8167.5-121.1168.2000109.3
488F36.8Very low38.8Very low207 Ų207141.8 Ų141.891%0.90879%0.79SS**  trans-173.676.4149.5-93-65.1000107.3
489E36.7Very low38.7Very low188 Ų188138.1 Ų138.188%0.87979%0.786SS**  trans-161.1102.9159.2-131.3171-175.800109.9
490L41.4Very low38.5Very low174 Ų174139.5 Ų139.591%0.91179%0.788SS**  trans-141.6114.8161-77167.5000102.7
491G34.2Very low38.6Very low64 Ų64142.9 Ų142.966%0.6679%0.791SS**  cis94.992.92400000109.3
492E39.5Very low38.9Very low187 Ų187148.3 Ų148.387%0.87480%0.795SS**  trans176.3100152.4-98.6166.6-159.500108.7
493S37Very low39Very low104 Ų104147.7 Ų147.773%0.72779%0.787SS**  85.195.992.666.20000112.8
494S36.8Very low39Very low104 Ų104146.4 Ų146.473%0.72779%0.786SS**  59.111494-161.90000114.7
495Y37.8Very low38.9Very low217 Ų217145.8 Ų145.885%0.85178%0.784SS**  trans-172.3112.2139.2-95.3-75.2000111.6
496F37.5Very low39Very low156 Ų156145.8 Ų145.868%0.68478%0.783SS**  trans47.8123.2143.3-80.2-102.8000123.4
497S41.5Very low39.3Very low126 Ų126145.1 Ų145.188%0.88178%0.78SS**  -155.6122118-85.10000112.1
498E38.3Very low39.6Very low174 Ų174144.7 Ų144.781%0.81378%0.777SS**  trans-60159.4164.6-100.7158.510900113.3
499G37.8Very low40.1Very low64 Ų64139.7 Ų139.766%0.6677%0.768SS**  trans137.7114.5141.900000117.7
500D39.9Very low40.5Very low158 Ų158137.9 Ų137.985%0.84576%0.763SS**  trans71.4102.8150.7-55.1-15.5000118.4
501D39.5Very low40.5Very low132 Ų132136 Ų13671%0.70675%0.753SS**  58101.569.4-160.346.9000113.8
502Y44.9Very low41Very low232 Ų232139.2 Ų139.291%0.9176%0.761SS**  trans-154.9135.4143.8-93.4-73.6000110.5
503T43.1Very low41.1Very low98 Ų98134.1 Ų134.160%0.60176%0.758SS**  trans-89.9161.3-164.543.90000115.2
504D41.2Very low41.5Very low150 Ų150135.4 Ų135.480%0.80276%0.762SS**  trans69.3115.9147.2-76.9-52.3000121.2
505D38.1Very low42Very low139 Ų139138.4 Ų138.474%0.74376%0.764SS**  177.9125.4104.2-170.44.9000111.4
506P39.9Very low42.7Very low110 Ų110132.2 Ų132.271%0.71475%0.75SS**  trans-122.5115.6163.634.4-18.2000112.1
507T44.6Very low43Very low114 Ų114133.6 Ų133.670%0.69976%0.759SS**  trans-152.7143.5163.1-34.40000114.1
508I45.8Very low43.3Very low141 Ų141137.8 Ų137.872%0.72376%0.761SS**  trans92.890.1157.1-47.7-169.4000115.5
509S46Very low43.7Very low102 Ų102133.9 Ų133.971%0.71376%0.759SS**  89146.272.1-68.90000115
510L44.9Very low44.7Very low149 Ų149139.9 Ų139.978%0.7877%0.766SS**  trans89.6123.8161-53178.4000115.3
511L41.9Very low45.4Very low135 Ų135138.8 Ų138.871%0.70776%0.76SS**  cis-167.6140.114.5-95.2153.5000108.8
512T44.1Very low46.7Very low132 Ų132137.7 Ų137.781%0.8176%0.761SS**  trans40.1133.2139.264.30000120.1
513G43Very low47.6Very low79 Ų79132.4 Ų132.481%0.81475%0.753SS**  cis171.8162.820.400000109.5
514T44.7Very low48.3Very low132 Ų132134 Ų13481%0.8176%0.762SS**  trans-88.1152.2-161.335.10000117.3
515E47.2Very low49.1Very low166 Ų166135.7 Ų135.778%0.77679%0.785SS**  trans75.8165.1137.3-73.6-77.4107.100120.4
516P52.5Low49.6Very low87 Ų87135.5 Ų135.557%0.56579%0.788SS**  -143.2177.7-65.142.2-23.2000115.4
517H44.2Very low50.1Low186 Ų186136.8 Ų136.886%0.86179%0.791SS**  trans24.7126.2152.7-73.4-79.1000123.8
518K47.7Very low50.4Low214 Ų214138.1 Ų138.193%0.9380%0.797SS**  trans-162.9144.6133.6-153.5165.6-179.1175.60114.4
519A46.1Very low50.7Low92 Ų92137.9 Ų137.976%0.7680%0.801SS**  trans-89.1161.3-172.400000116.7
520K59.3Low51Low189 Ų189140.2 Ų140.282%0.82281%0.806SS**  trans179.2137.6146.4-111-178.9165.2177.50107.5
521D55.2Low51.4Low135 Ų135139.6 Ų139.672%0.72281%0.808SS**  cis-155.2159.135.9-87.2-49.4000111.2
522P66.5Low52.1Low110 Ų110139.9 Ų139.971%0.71482%0.815SS**  trans-121.8169158.636.9-23.1000113.4
523T63.9Low52.7Low120 Ų120140.5 Ų140.574%0.73682%0.816SS**  trans113.7105.5140.8-46.90000117.8
524V56.9Low53.5Low132 Ų132145.7 Ų145.780%0.882%0.816SS**  trans67.3109.9132.9-178.30000119.2
525S57.7Low54.3Low185 Ų185146.9 Ų146.9100%1.29482%0.816SS**  -156.50104.5-158.70000111.7

Retrieved 525 of 525 residues in 131.5 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).