A0A3Q0KPT7_SCHMA Loading...

DNA helicase MCM9

AlphaFold DB , UniProt , Accession A0A3Q0KPT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 909 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
1M42.1Very low74.4Confident230 Ų23098.5 Ų98.5100%1.13352%0.515SS*.  0105.20-73-175.6178.800109.1M3M1-M3 PolarHBondContact O-N 3.3Å; M1-M3 VanDerWaalsContact O-N 3.13Å
2T49.4Very low75.5Confident150 Ų15090.3 Ų90.392%0.9247%0.472SS*.  trans-83.882.4177.142.70000109.8K4T2-K4 PolarHBondContact O-N 3.13Å
3M59.7Low76.3Confident104 Ų10485.5 Ų85.551%0.51245%0.451SS..  trans-56.6137.1164.6-86.7-78.5164.600108.9M1 N5 S7 I8M1-M3 PolarHBondContact O-N 3.3Å; M1-M3 VanDerWaalsContact O-N 3.13Å; M3-N5 PolarHBondContact O-N 3.39Å; M3-S7 PolarHBondContact SD-OG 3.27Å; M3-S7 VanDerWaalsContact SD-OG 3.38Å; M3-I8 HydrophobicContact CB-CG1 4.39Å
4K74.5Confident77Confident163 Ų16384.9 Ų84.971%0.70944%0.444SS*.  trans-61.2136.8175.8-68.1-178.6179.3178.40108.5T2 E6 S7T2-K4 PolarHBondContact O-N 3.13Å; K4-E6 PolarHBondContact O-N 3.2Å; K4-S7 PolarHBondContact O-N 3.34Å; K4-S7 PolarHBondContact O-OG 2.89Å
5N81.4Confident77.6Confident98 Ų9879.4 Ų79.452%0.52442%0.415SS..Hα-helixtrans-48.9-30.6179.4-67.7-14.3000113.7M3 I8 I9 L67M3-N5 PolarHBondContact O-N 3.39Å; N5-I8 PolarHBondContact O-N 3.44Å; N5-I9 WeakPolarHBondContact O-CG1 3.13Å; N5-I9 PolarHBondContact O-N 3.28Å; N5-L67 HydrophobicContact CB-CD1 4.26Å; N5-L67 HydrophobicContact CB-CD2 3.92Å
6E82.7Confident78.1Confident152 Ų15274.4 Ų74.471%0.7139%0.389SS*.Hα-helixtrans-66.1-35.9177.1-64.3177.4166.600113.7K4 I9 S10K4-E6 PolarHBondContact O-N 3.2Å; E6-I9 PolarHBondContact O-N 3.39Å; E6-S10 WeakPolarHBondContact O-CB 3.36Å; E6-S10 PolarHBondContact O-N 3.5Å
7S83.6Confident78.4Confident36 Ų3674.9 Ų74.925%0.25239%0.392SS..Hα-helixtrans-70.6-35.9178.462.40000111.6M3 K4 S10 L11M3-S7 PolarHBondContact SD-OG 3.27Å; M3-S7 VanDerWaalsContact SD-OG 3.38Å; K4-S7 PolarHBondContact O-N 3.34Å; K4-S7 PolarHBondContact O-OG 2.89Å; S7-S10 PolarHBondContact O-N 2.96Å; S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 VanDerWaalsContact O-CG 3.29Å; S7-L11 WeakPolarHBondContact O-CG 3.48Å; S7-L11 PolarHBondContact O-N 3.27Å
8I84.8Confident78.7Confident12 Ų1279.6 Ų79.66%0.06240%0.404CS..Hα-helixtrans-62.5-45.5175.3-60.6169.5000110.3M3 N5 S10 L11 F12 F53 L56 L67M3-I8 HydrophobicContact CB-CG1 4.39Å; N5-I8 PolarHBondContact O-N 3.44Å; I8-S10 PolarHBondContact O-N 3.39Å; I8-L11 PolarHBondContact O-N 3.24Å; I8-F12 WeakPolarHBondContact O-CB 3.22Å; I8-F12 PolarHBondContact O-N 3.46Å; I8-F53 HydrophobicContact CG2-CE1 3.87Å; I8-L56 HydrophobicContact CD1-CD1 3.7Å; I8-L56 HydrophobicContact CG1-CD1 4.24Å; I8-L67 HydrophobicContact CD1-CD1 4.29Å
9I86.2Confident78.6Confident19 Ų1981.6 Ų81.610%0.09741%0.411CS..Hα-helixtrans-61-45.4177.4-70.1168.5000110.9N5 E6 F12 S13 L67N5-I9 WeakPolarHBondContact O-CG1 3.13Å; N5-I9 PolarHBondContact O-N 3.28Å; E6-I9 PolarHBondContact O-N 3.39Å; I9-F12 PolarHBondContact O-N 2.9Å; I9-S13 WeakPolarHBondContact O-CB 3.45Å; I9-S13 PolarHBondContact O-N 3.46Å; I9-L67 HydrophobicContact CD1-CD2 4.13Å; I9-L67 HydrophobicContact CG1-CB 4.49Å; I9-L67 HydrophobicContact CG1-CD2 4.45Å
10S86.5Confident78.6Confident68 Ų6878.4 Ų78.448%0.47639%0.394SS..Hα-helixtrans-59.6-52.1176.91670000112.1E6 S7 I8 F12 S13 E14E6-S10 WeakPolarHBondContact O-CB 3.36Å; E6-S10 PolarHBondContact O-N 3.5Å; S7-S10 PolarHBondContact O-N 2.96Å; I8-S10 PolarHBondContact O-N 3.39Å; S10-F12 VanDerWaalsContact C-N 3.3Å; S10-F12 PolarHBondContact O-N 2.91Å; S10-S13 PolarHBondContact O-N 2.92Å; S10-S13 VanDerWaalsContact O-N 3.13Å; S10-S13 PolarHBondContact O-OG 2.86Å; S10-E14 PolarHBondContact O-N 3.2Å
11L87.7Confident78.4Confident51 Ų5183 Ų8327%0.26741%0.407SS..Hα-helixtrans-59.4-41.5179.9-73.3168.7000112S7 I8 E14 Y15 F53S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 VanDerWaalsContact O-CG 3.29Å; S7-L11 WeakPolarHBondContact O-CG 3.48Å; S7-L11 PolarHBondContact O-N 3.27Å; I8-L11 PolarHBondContact O-N 3.24Å; L11-E14 PolarHBondContact O-N 3.02Å; L11-Y15 PolarHBondContact O-N 3.43Å; L11-Y15 VanDerWaalsContact O-N 3.1Å; L11-F53 HydrophobicContact CB-CZ 4.02Å
12F86.8Confident80Confident0 Ų075.3 Ų75.30%038%0.376CS..Hα-helixtrans-71.4-35.3177.9-167.5-96.7000112.5I8 I9 S10 E14 Y15 L16 L46 F53 L68 S71 V72 I97I8-F12 WeakPolarHBondContact O-CB 3.22Å; I8-F12 PolarHBondContact O-N 3.46Å; I9-F12 PolarHBondContact O-N 2.9Å; S10-F12 VanDerWaalsContact C-N 3.3Å; S10-F12 PolarHBondContact O-N 2.91Å; F12-E14 VanDerWaalsContact C-N 3.26Å; F12-E14 PolarHBondContact O-N 3Å; F12-Y15 HydrophobicContact CD2-CD1 4.31Å; F12-Y15 HydrophobicContact CE2-CD1 4.14Å; F12-Y15 WeakPolarHBondContact O-CB 3.35Å; F12-Y15 PolarHBondContact O-N 2.97Å; F12-L16 HydrophobicContact CD1-CD1 3.59Å; F12-L16 HydrophobicContact CD1-CD2 4.35Å; F12-L16 HydrophobicContact CD1-CG 3.66Å; F12-L16 HydrophobicContact CE1-CD1 3.54Å; F12-L16 HydrophobicContact CE1-CD2 3.69Å; F12-L16 HydrophobicContact CE1-CG 3.52Å; F12-L16 HydrophobicContact CZ-CD2 4.09Å; F12-L16 HydrophobicContact CZ-CG 4.26Å; F12-L16 WeakPolarHBondContact O-CB 3.39Å; F12-L16 WeakPolarHBondContact O-CG 3.36Å; F12-L16 PolarHBondContact O-N 3.17Å; F12-L46 HydrophobicContact CD2-CD2 3.96Å; F12-L46 HydrophobicContact CE2-CD1 4.44Å; F12-L46 HydrophobicContact CE2-CD2 3.53Å; F12-F53 HydrophobicContact CB-CE1 4.29Å; F12-F53 HydrophobicContact CB-CZ 4.03Å; F12-F53 HydrophobicContact CD2-CE1 4.31Å; F12-F53 HydrophobicContact CD2-CZ 4.26Å; F12-L68 HydrophobicContact CB-CD2 4.04Å; F12-L68 HydrophobicContact CD1-CD2 4.05Å; F12-L68 HydrophobicContact CD2-CD2 3.37Å; F12-L68 HydrophobicContact CE1-CB 4.34Å; F12-L68 HydrophobicContact CE1-CD2 4.24Å; F12-L68 HydrophobicContact CE2-CD1 4.42Å; F12-L68 HydrophobicContact CE2-CD2 3.63Å; F12-L68 HydrophobicContact CE2-CG 4.47Å; F12-L68 HydrophobicContact CG-CD2 3.55Å; F12-L68 HydrophobicContact CZ-CB 4.37Å; F12-L68 HydrophobicContact CZ-CD2 4.05Å; F12-S71 WeakPolarHBondContact CD1-OG 3.1Å; F12-V72 HydrophobicContact CE1-CG2 4.15Å; F12-I97 HydrophobicContact CE1-CD1 3.66Å; F12-I97 HydrophobicContact CZ-CD1 3.83Å
13S85.9Confident81.2Confident28 Ų2870.5 Ų70.520%0.19635%0.345CS..Hα-helixtrans-61.4-36.7173.974.80000112I9 S10 L17I9-S13 WeakPolarHBondContact O-CB 3.45Å; I9-S13 PolarHBondContact O-N 3.46Å; S10-S13 PolarHBondContact O-N 2.92Å; S10-S13 VanDerWaalsContact O-N 3.13Å; S10-S13 PolarHBondContact O-OG 2.86Å; S13-L17 VanDerWaalsContact O-CG 3.32Å; S13-L17 WeakPolarHBondContact O-CG 3.4Å; S13-L17 PolarHBondContact O-N 2.66Å; S13-L17 VanDerWaalsContact O-N 3.15Å
14E86Confident81.9Confident77 Ų7765.7 Ų65.736%0.3632%0.321SS..Hα-helixtrans-66.2-44.6173.9-173-179.7178.400111.5S10 L11 F12 L16 L17 R18 F49S10-E14 PolarHBondContact O-N 3.2Å; L11-E14 PolarHBondContact O-N 3.02Å; F12-E14 VanDerWaalsContact C-N 3.26Å; F12-E14 PolarHBondContact O-N 3Å; E14-L16 PolarHBondContact O-N 3.3Å; E14-L17 PolarHBondContact O-N 3.16Å; E14-R18 WeakPolarHBondContact O-CG 3.47Å; E14-R18 PolarHBondContact O-N 3.24Å; E14-R18 VanDerWaalsContact O-N 3.15Å; E14-R18 IonicContact OE1-CZ 3.34Å; E14-R18 IonicContact OE1-NE 3.4Å; E14-R18 PolarHBondContact OE1-NE 3.19Å; E14-R18 IonicContact OE1-NH2 2.66Å; E14-R18 PolarHBondContact OE1-NH2 2.92Å; E14-F49 HydrophobicContact CG-CZ 4.44Å
15Y87.4Confident81.7Confident3 Ų360.9 Ų60.91%0.01231%0.308CS..Hα-helixtrans-58-48.2175.2173.7-98.8000112.2L11 F12 L17 R18 E19 V41 N45 L46 F49L11-Y15 PolarHBondContact O-N 3.43Å; L11-Y15 VanDerWaalsContact O-N 3.1Å; F12-Y15 HydrophobicContact CD2-CD1 4.31Å; F12-Y15 HydrophobicContact CE2-CD1 4.14Å; F12-Y15 WeakPolarHBondContact O-CB 3.35Å; F12-Y15 PolarHBondContact O-N 2.97Å; Y15-L17 VanDerWaalsContact C-N 3.29Å; Y15-L17 PolarHBondContact O-N 3.11Å; Y15-R18 PolarHBondContact O-N 3.43Å; Y15-R18 VanDerWaalsContact O-N 3.1Å; Y15-E19 HydrophobicContact CD2-CG 4.22Å; Y15-E19 HydrophobicContact CE2-CB 4.37Å; Y15-E19 HydrophobicContact CE2-CG 3.71Å; Y15-E19 PolarHBondContact O-N 3.28Å; Y15-V41 HydrophobicContact CE1-CG1 3.87Å; Y15-N45 VanDerWaalsContact OH-CB 3.27Å; Y15-N45 WeakPolarHBondContact OH-CB 3.25Å; Y15-L46 HydrophobicContact CD1-CD2 3.57Å; Y15-L46 HydrophobicContact CD2-CD2 4.38Å; Y15-L46 HydrophobicContact CE1-CD2 3.35Å; Y15-L46 HydrophobicContact CE1-CG 4.1Å; Y15-L46 HydrophobicContact CE2-CD2 4.18Å; Y15-L46 HydrophobicContact CG-CD2 4.09Å; Y15-F49 HydrophobicContact CD2-CB 3.69Å; Y15-F49 HydrophobicContact CD2-CD1 4.07Å; Y15-F49 AromaticContact CD2-CD2 3.99Å; Y15-F49 HydrophobicContact CD2-CD2 3.99Å; Y15-F49 AromaticContact CD2-CG 3.64Å; Y15-F49 HydrophobicContact CD2-CG 3.64Å; Y15-F49 HydrophobicContact CE2-CB 4.03Å; Y15-F49 HydrophobicContact CE2-CG 4.46Å; Y15-F49 HydrophobicContact CG-CD1 4.43Å; Y15-F49 HydrophobicContact CG-CG 4.42Å
16L84.4Confident81.2Confident0 Ų061.9 Ų61.90%031%0.307CS..Hα-helixtrans-57.5-40.1177.8-78178.1000112.8F12 E14 R18 H20 R21 I24 V72 V75F12-L16 HydrophobicContact CD1-CD1 3.59Å; F12-L16 HydrophobicContact CD1-CD2 4.35Å; F12-L16 HydrophobicContact CD1-CG 3.66Å; F12-L16 HydrophobicContact CE1-CD1 3.54Å; F12-L16 HydrophobicContact CE1-CD2 3.69Å; F12-L16 HydrophobicContact CE1-CG 3.52Å; F12-L16 HydrophobicContact CZ-CD2 4.09Å; F12-L16 HydrophobicContact CZ-CG 4.26Å; F12-L16 WeakPolarHBondContact O-CB 3.39Å; F12-L16 WeakPolarHBondContact O-CG 3.36Å; F12-L16 PolarHBondContact O-N 3.17Å; E14-L16 PolarHBondContact O-N 3.3Å; L16-R18 VanDerWaalsContact C-N 3.33Å; L16-H20 HydrophobicContact CD2-CB 4.47Å; L16-H20 CarbonylContact O-C 3.4Å; L16-H20 WeakPolarHBondContact O-CA 3.49Å; L16-H20 PolarHBondContact O-N 2.98Å; L16-H20 VanDerWaalsContact O-N 3.1Å; L16-R21 PolarHBondContact O-N 3.13Å; L16-I24 HydrophobicContact CB-CD1 3.93Å; L16-I24 WeakPolarHBondContact O-CD1 3.33Å; L16-V72 HydrophobicContact CD1-CB 4.28Å; L16-V72 HydrophobicContact CD1-CG2 3.53Å; L16-V72 HydrophobicContact CD2-CG2 4.28Å; L16-V75 HydrophobicContact CD1-CG2 4.17Å
17L83.5Confident80.6Confident83 Ų8355.3 Ų55.344%0.43528%0.277SS..Hα-helixtrans-71.3-27.7178.9-73.5171.2000113S13 E14 Y15 V75S13-L17 VanDerWaalsContact O-CG 3.32Å; S13-L17 WeakPolarHBondContact O-CG 3.4Å; S13-L17 PolarHBondContact O-N 2.66Å; S13-L17 VanDerWaalsContact O-N 3.15Å; E14-L17 PolarHBondContact O-N 3.16Å; Y15-L17 VanDerWaalsContact C-N 3.29Å; Y15-L17 PolarHBondContact O-N 3.11Å; L17-V75 HydrophobicContact CD2-CG1 3.9Å; L17-V75 HydrophobicContact CG-CG1 4.3Å
18R83.3Confident79.8Confident159 Ų15955.2 Ų55.260%0.628%0.276SS*.Hα-helixtrans-78.9-55.3178.4-71.8177.9-179.1-151.73.9112E14 Y15 L16E14-R18 WeakPolarHBondContact O-CG 3.47Å; E14-R18 PolarHBondContact O-N 3.24Å; E14-R18 VanDerWaalsContact O-N 3.15Å; E14-R18 IonicContact OE1-CZ 3.34Å; E14-R18 IonicContact OE1-NE 3.4Å; E14-R18 PolarHBondContact OE1-NE 3.19Å; E14-R18 IonicContact OE1-NH2 2.66Å; E14-R18 PolarHBondContact OE1-NH2 2.92Å; Y15-R18 PolarHBondContact O-N 3.43Å; Y15-R18 VanDerWaalsContact O-N 3.1Å; L16-R18 VanDerWaalsContact C-N 3.33Å
19E77.9Confident78.9Confident117 Ų11761.5 Ų61.555%0.54731%0.309SS..Hα-helixtrans-92.6-41.2-169.7-66.1-61.5140.100113Y15Y15-E19 HydrophobicContact CD2-CG 4.22Å; Y15-E19 HydrophobicContact CE2-CB 4.37Å; Y15-E19 HydrophobicContact CE2-CG 3.71Å; Y15-E19 PolarHBondContact O-N 3.28Å
20H78.4Confident77.8Confident17 Ų1764.9 Ų64.98%0.07933%0.327CS..  trans-108.926-167.7-71.7-76.7000114.2L16 S22 D23 I24 I40L16-H20 HydrophobicContact CD2-CB 4.47Å; L16-H20 CarbonylContact O-C 3.4Å; L16-H20 WeakPolarHBondContact O-CA 3.49Å; L16-H20 PolarHBondContact O-N 2.98Å; L16-H20 VanDerWaalsContact O-N 3.1Å; H20-S22 VanDerWaalsContact C-N 3.25Å; H20-S22 PolarHBondContact O-N 3.13Å; H20-D23 IonicContact CE1-OD2 2.72Å; H20-D23 IonicContact CG-OD2 3.82Å; H20-D23 IonicContact ND1-OD2 3.85Å; H20-D23 PolarHBondContact ND1-OD2 3.04Å; H20-D23 PolarHBondContact O-N 3.31Å; H20-D23 VanDerWaalsContact O-N 3.11Å; H20-I24 WeakPolarHBondContact O-CG1 3.19Å; H20-I24 PolarHBondContact O-N 3.39Å; H20-I40 PolarHBondContact CE1-O 2.87Å
21R75Confident76.5Confident176 Ų17663.1 Ų63.166%0.66431%0.312SS*.Hα-helixtrans-57.6-38.4-178.7-172.8176.1176.4149.70.6112.6L16 C25L16-R21 PolarHBondContact O-N 3.13Å; R21-C25 PolarHBondContact O-N 2.96Å; R21-C25 PolarHBondContact O-SG 3.45Å
22S74.4Confident75.1Confident68 Ų6866.8 Ų66.848%0.47634%0.339SS..Hα-helixtrans-63.5-42177.850.10000112.3H20 C25 K26H20-S22 VanDerWaalsContact C-N 3.25Å; H20-S22 PolarHBondContact O-N 3.13Å; S22-C25 PolarHBondContact O-N 3.33Å; S22-K26 WeakPolarHBondContact O-CG 3.49Å; S22-K26 PolarHBondContact O-N 3.39Å
23D74.8Confident73.7Confident49 Ų4970.9 Ų70.926%0.26237%0.368SS..Hα-helixtrans-72.6-40-176-57.4-28.6000110H20 C25 K26 L27H20-D23 IonicContact CE1-OD2 2.72Å; H20-D23 IonicContact CG-OD2 3.82Å; H20-D23 IonicContact ND1-OD2 3.85Å; H20-D23 PolarHBondContact ND1-OD2 3.04Å; H20-D23 PolarHBondContact O-N 3.31Å; H20-D23 VanDerWaalsContact O-N 3.11Å; D23-C25 VanDerWaalsContact C-N 3.3Å; D23-C25 PolarHBondContact O-N 3.19Å; D23-K26 WeakPolarHBondContact O-CB 3.4Å; D23-K26 PolarHBondContact O-N 3.06Å; D23-K26 IonicContact OD1-NZ 3.81Å; D23-L27 WeakPolarHBondContact O-CB 3.45Å; D23-L27 WeakPolarHBondContact O-CG 3.32Å; D23-L27 PolarHBondContact O-N 3.23Å
24I75.2Confident72.5Confident3 Ų375.7 Ų75.72%0.01539%0.387CS..Hα-helixtrans-61.4-40172.9-62.7163000111.1L16 H20 L27 S28 V75 I76L16-I24 HydrophobicContact CB-CD1 3.93Å; L16-I24 WeakPolarHBondContact O-CD1 3.33Å; H20-I24 WeakPolarHBondContact O-CG1 3.19Å; H20-I24 PolarHBondContact O-N 3.39Å; I24-L27 PolarHBondContact O-N 3.47Å; I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 3.32Å; I24-V75 HydrophobicContact CD1-CG1 3.99Å; I24-V75 HydrophobicContact CG2-CG1 4.26Å; I24-I76 HydrophobicContact CG2-CG1 4.38Å
25C69.7Low71.5Confident63 Ų6376.3 Ų76.343%0.42640%0.397SS..Hα-helixtrans-65-44175.2-69.40000111.6R21 S22 D23 S28 L29R21-C25 PolarHBondContact O-N 2.96Å; R21-C25 PolarHBondContact O-SG 3.45Å; S22-C25 PolarHBondContact O-N 3.33Å; D23-C25 VanDerWaalsContact C-N 3.3Å; D23-C25 PolarHBondContact O-N 3.19Å; C25-S28 WeakPolarHBondContact O-CB 3.35Å; C25-S28 PolarHBondContact O-N 3.09Å; C25-L29 WeakPolarHBondContact O-CG 3.39Å; C25-L29 PolarHBondContact O-N 3.3Å; C25-L29 VanDerWaalsContact O-N 3.11Å
26K71.6Confident70.8Confident119 Ų11977.8 Ų77.852%0.51741%0.405SS..Hα-helixtrans-60.4-46.6174.9-71.4170.7-173.4169.30111.3S22 D23 S28 L29 L30S22-K26 WeakPolarHBondContact O-CG 3.49Å; S22-K26 PolarHBondContact O-N 3.39Å; D23-K26 WeakPolarHBondContact O-CB 3.4Å; D23-K26 PolarHBondContact O-N 3.06Å; D23-K26 IonicContact OD1-NZ 3.81Å; K26-S28 VanDerWaalsContact C-N 3.32Å; K26-S28 PolarHBondContact O-N 3.21Å; K26-L29 PolarHBondContact O-N 3.15Å; K26-L29 VanDerWaalsContact O-N 3.16Å; K26-L30 HydrophobicContact CB-CD1 4.34Å; K26-L30 WeakPolarHBondContact O-CB 3.4Å; K26-L30 WeakPolarHBondContact O-CD1 3.37Å; K26-L30 VanDerWaalsContact O-CG 3.25Å; K26-L30 WeakPolarHBondContact O-CG 3.48Å; K26-L30 PolarHBondContact O-N 3.15Å
27L70.6Confident70.3Confident13 Ų1378.5 Ų78.57%0.06841%0.408CS..Hα-helixtrans-59.1-45.3176.2-68.8168.3000110.7D23 I24 L29 L30 L31 Q37 I39D23-L27 WeakPolarHBondContact O-CB 3.45Å; D23-L27 WeakPolarHBondContact O-CG 3.32Å; D23-L27 PolarHBondContact O-N 3.23Å; I24-L27 PolarHBondContact O-N 3.47Å; L27-L29 PolarHBondContact O-N 3.1Å; L27-L30 PolarHBondContact O-N 3.1Å; L27-L31 WeakPolarHBondContact O-CB 3.19Å; L27-L31 WeakPolarHBondContact O-CD1 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 3.5Å; L27-Q37 HydrophobicContact CD2-CB 3.63Å; L27-Q37 HydrophobicContact CD2-CG 4.06Å; L27-I39 HydrophobicContact CD1-CD1 3.49Å; L27-I39 VanDerWaalsContact CD1-CD1 3.49Å; L27-I39 HydrophobicContact CD1-CG1 3.39Å
28S66.4Low70.2Confident34 Ų3476.8 Ų76.824%0.23840%0.403CS..Hα-helixtrans-55-40.3176.9-168.20000112.7I24 C25 K26 K80I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 3.32Å; C25-S28 WeakPolarHBondContact O-CB 3.35Å; C25-S28 PolarHBondContact O-N 3.09Å; K26-S28 VanDerWaalsContact C-N 3.32Å; K26-S28 PolarHBondContact O-N 3.21Å; S28-K80 WeakPolarHBondContact O-CE 3.44Å; S28-K80 PolarHBondContact O-NZ 2.86Å; S28-K80 WeakPolarHBondContact OG-CE 3.44Å
29L65.2Low70.3Confident145 Ų14569.4 Ų69.476%0.75938%0.375SS*.Hα-helixtrans-76.2-38178.2-68168.1000113.4C25 K26 L27 L31C25-L29 WeakPolarHBondContact O-CG 3.39Å; C25-L29 PolarHBondContact O-N 3.3Å; C25-L29 VanDerWaalsContact O-N 3.11Å; K26-L29 PolarHBondContact O-N 3.15Å; K26-L29 VanDerWaalsContact O-N 3.16Å; L27-L29 PolarHBondContact O-N 3.1Å; L29-L31 VanDerWaalsContact C-N 3.34Å
30L62.2Low70.7Confident89 Ų8967.2 Ų67.247%0.46637%0.367SS..Hα-helixtrans-79-15.8-177.6-70.8163.1000113.1K26 L27 S33K26-L30 HydrophobicContact CB-CD1 4.34Å; K26-L30 WeakPolarHBondContact O-CB 3.4Å; K26-L30 WeakPolarHBondContact O-CD1 3.37Å; K26-L30 VanDerWaalsContact O-CG 3.25Å; K26-L30 WeakPolarHBondContact O-CG 3.48Å; K26-L30 PolarHBondContact O-N 3.15Å; L27-L30 PolarHBondContact O-N 3.1Å; L30-S33 PolarHBondContact O-N 3.39Å; L30-S33 PolarHBondContact O-OG 3.39Å; L30-S33 VanDerWaalsContact O-OG 3.08Å
31L60.2Low71.2Confident31 Ų3166.4 Ų66.416%0.16236%0.363CS..THydrogen-bonded Turntrans-73.284.2172.7-74.8158.5000109.2L27 L29 I76 I91L27-L31 WeakPolarHBondContact O-CB 3.19Å; L27-L31 WeakPolarHBondContact O-CD1 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 3.5Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L31-I76 HydrophobicContact CD1-CG2 4.18Å; L31-I91 HydrophobicContact CD2-CG2 4.06Å
32P57.6Low71.7Confident129 Ų12962.1 Ų62.184%0.83835%0.35SS*.THydrogen-bonded Turn-140.713.97935-16.7000116.5
33S58.5Low72.4Confident86 Ų8659.2 Ų59.260%0.60133%0.329SS*.THydrogen-bonded Turntrans-83.8-27.3-16757.10000115.5L30L30-S33 PolarHBondContact O-N 3.39Å; L30-S33 PolarHBondContact O-OG 3.39Å; L30-S33 VanDerWaalsContact O-OG 3.08Å
34E61Low72.9Confident128 Ų12860.8 Ų60.860%0.59834%0.337SS*.  trans-123.2135.5-179.1-63.6-162.7158.600111.5
35P65.1Low73.4Confident90 Ų9063.2 Ų63.258%0.58435%0.35SS*.SBendtrans-72.4-30.5-171.328.5-34.6000112.9N94P35-N94 WeakPolarHBondContact O-CB 3.13Å; P35-N94 PolarHBondContact O-ND2 3.39Å
36H71.6Confident74.2Confident35 Ų3560.3 Ų60.316%0.16233%0.33CS..  trans-128.7138178.1-65.7-89.8000109.6N94 H96 D224 D225H36-N94 CarbonylContact C-O 3.37Å; H36-N94 VanDerWaalsContact CA-O 3.29Å; H36-N94 WeakPolarHBondContact CA-O 2.75Å; H36-H96 AromaticContact ND1-NE2 3.58Å; H36-D224 HydrophobicContact CB-CB 4.27Å; H36-D224 IonicContact CE1-OD1 2.94Å; H36-D224 PolarHBondContact CE1-OD1 3.04Å; H36-D224 IonicContact ND1-OD1 3.89Å; H36-D224 IonicContact NE2-OD1 3.91Å; H36-D225 HydrophobicContact CB-CB 4.28Å
37Q73.7Confident74.9Confident15 Ų1556.5 Ų56.57%0.0732%0.318CS..EExtended strand (participates in β ladder)trans-132.3140.9179.4-68.3179.7-15.300110L27 N94 I95 H96L27-Q37 HydrophobicContact CD2-CB 3.63Å; L27-Q37 HydrophobicContact CD2-CG 4.06Å; Q37-N94 PolarHBondContact N-O 2.64Å; Q37-I95 WeakPolarHBondContact O-CA 3.04Å; Q37-H96 PolarHBondContact O-N 2.97Å
38S81.4Confident75.6Confident47 Ų4763.7 Ų63.733%0.32935%0.352SS..EExtended strand (participates in β ladder)trans-112.2146.617533.70000113.1H96 D225S38-H96 VanDerWaalsContact CA-O 3.23Å; S38-H96 WeakPolarHBondContact CA-O 3.49Å; S38-D225 WeakPolarHBondContact CB-OD2 3.45Å; S38-D225 PolarHBondContact OG-OD2 3.28Å
39I85.5Confident76.6Confident3 Ų364.8 Ų64.82%0.01535%0.352CS..EExtended strand (participates in β ladder)trans-108.3123.8162.9-61.8172.9000107.2L27 V41 V72 H96 R98L27-I39 HydrophobicContact CD1-CD1 3.49Å; L27-I39 VanDerWaalsContact CD1-CD1 3.49Å; L27-I39 HydrophobicContact CD1-CG1 3.39Å; I39-V41 HydrophobicContact CG2-CG2 3.79Å; I39-V72 HydrophobicContact CD1-CB 4.5Å; I39-V72 HydrophobicContact CD1-CG1 3.62Å; I39-V72 HydrophobicContact CD1-CG2 3.96Å; I39-H96 PolarHBondContact N-O 3.45Å; I39-R98 PolarHBondContact O-N 2.93Å
40I86.9Confident77.6Confident72 Ų7259.6 Ų59.637%0.36933%0.325SS..EExtended strand (participates in β ladder)trans-87.4119.7174.7-56.7174.5000107.8H20 R98 T100 Y265H20-I40 PolarHBondContact CE1-O 2.87Å; I40-R98 CarbonylContact C-O 3.53Å; I40-R98 WeakPolarHBondContact CA-O 3.47Å; I40-R98 HydrophobicContact CG1-CB 4.47Å; I40-T100 HydrophobicContact CG2-CG2 3.4Å; I40-T100 VanDerWaalsContact CG2-CG2 3.4Å; I40-Y265 HydrophobicContact CD1-CE2 4.3Å; I40-Y265 HydrophobicContact CG1-CE2 4.39Å
41V88.3Confident78.7Confident0 Ų059.3 Ų59.30%033%0.331CS..EExtended strand (participates in β ladder)trans-120.1125.7178.8-175.20000109.4Y15 I39 L46 I97 R98 L99 T100Y15-V41 HydrophobicContact CE1-CG1 3.87Å; I39-V41 HydrophobicContact CG2-CG2 3.79Å; V41-L46 HydrophobicContact CB-CD1 4.41Å; V41-L46 HydrophobicContact CG1-CD1 3.47Å; V41-L46 VanDerWaalsContact CG1-CD1 3.47Å; V41-L46 HydrophobicContact CG1-CD2 4.03Å; V41-L46 HydrophobicContact CG1-CG 3.56Å; V41-I97 HydrophobicContact CB-CG2 4.37Å; V41-I97 HydrophobicContact CG2-CG2 3.89Å; V41-R98 PolarHBondContact N-O 3.28Å; V41-L99 HydrophobicContact CB-CD2 4.27Å; V41-L99 WeakPolarHBondContact O-CA 3Å; V41-T100 PolarHBondContact O-N 3.12Å; V41-T100 PolarHBondContact O-OG1 3.35Å
42H86.6Confident80Confident86 Ų8660.9 Ų60.940%0.39834%0.338SS..EExtended strand (participates in β ladder)trans-73.6125.8175.1-67.2-68.2000110.4N44 N45 L46 T100H42-N44 VanDerWaalsContact C-N 3.29Å; H42-N44 PolarHBondContact O-N 3.03Å; H42-N45 HydrophobicContact CB-CB 4.34Å; H42-N45 PolarHBondContact O-N 3.33Å; H42-L46 PolarHBondContact O-N 2.91Å; H42-T100 WeakPolarHBondContact CA-OG1 3.42Å; H42-T100 PolarHBondContact ND1-OG1 3.13Å
43F87.4Confident81.4Confident6 Ų654.9 Ų54.93%0.02630%0.299CS..Hα-helixtrans-61.1-39-179.8-178.1-95.5000111.8N45 L46 C47 I57 T100 L102 P103F43-N45 VanDerWaalsContact C-N 3.33Å; F43-N45 PolarHBondContact O-N 3.46Å; F43-L46 WeakPolarHBondContact O-CB 3.37Å; F43-L46 PolarHBondContact O-N 2.87Å; F43-L46 VanDerWaalsContact O-N 3.15Å; F43-C47 WeakPolarHBondContact CE1-SG 3.49Å; F43-C47 PolarHBondContact O-N 2.66Å; F43-C47 PolarHBondContact O-SG 3.36Å; F43-I57 HydrophobicContact CD2-CD1 4.33Å; F43-I57 HydrophobicContact CE2-CB 4.28Å; F43-I57 HydrophobicContact CE2-CD1 4.13Å; F43-I57 HydrophobicContact CE2-CG2 4.12Å; F43-T100 VanDerWaalsContact CB-O 3.3Å; F43-T100 WeakPolarHBondContact CB-O 3.28Å; F43-T100 PolarHBondContact N-O 3.5Å; F43-L102 HydrophobicContact CB-CD2 4.43Å; F43-L102 HydrophobicContact CD1-CD2 4.25Å; F43-L102 HydrophobicContact CD2-CD2 3.89Å; F43-L102 HydrophobicContact CE1-CD2 4.47Å; F43-L102 HydrophobicContact CE2-CD2 4.15Å; F43-L102 HydrophobicContact CG-CD2 3.93Å; F43-L102 HydrophobicContact CZ-CD2 4.42Å; F43-P103 HydrophobicContact CD1-CG 4.49Å; F43-P103 HydrophobicContact CE1-CG 4.04Å
44N86Confident82.6Confident82 Ų8252.3 Ų52.344%0.43928%0.281SS..Hα-helixtrans-57.4-44.8177.1-68.2-9.9000112.3H42 L46 C47 E48 A101H42-N44 VanDerWaalsContact C-N 3.29Å; H42-N44 PolarHBondContact O-N 3.03Å; N44-L46 VanDerWaalsContact C-N 3.3Å; N44-L46 PolarHBondContact O-N 3.45Å; N44-C47 WeakPolarHBondContact O-CB 3.08Å; N44-C47 PolarHBondContact O-N 3.4Å; N44-C47 VanDerWaalsContact O-N 3.16Å; N44-E48 WeakPolarHBondContact O-CG 3.44Å; N44-E48 PolarHBondContact O-N 3.28Å; N44-A101 PolarHBondContact OD1-O 2.91Å
45N86.5Confident83.7Confident55 Ų5553 Ų5329%0.29429%0.285SS..Hα-helixtrans-67.1-33.3-179.8-60.911.5000111.6Y15 H42 F43 F49Y15-N45 VanDerWaalsContact OH-CB 3.27Å; Y15-N45 WeakPolarHBondContact OH-CB 3.25Å; H42-N45 HydrophobicContact CB-CB 4.34Å; H42-N45 PolarHBondContact O-N 3.33Å; F43-N45 VanDerWaalsContact C-N 3.33Å; F43-N45 PolarHBondContact O-N 3.46Å; N45-F49 PolarHBondContact O-N 2.82Å; N45-F49 VanDerWaalsContact O-N 3.12Å
46L86Confident84.8Confident1 Ų150.7 Ų50.71%0.00527%0.267CS..Hα-helixtrans-66.8-41.5173-75.2170.6000111.9F12 Y15 V41 H42 F43 N44 F49 N50 I57 L99F12-L46 HydrophobicContact CD2-CD2 3.96Å; F12-L46 HydrophobicContact CE2-CD1 4.44Å; F12-L46 HydrophobicContact CE2-CD2 3.53Å; Y15-L46 HydrophobicContact CD1-CD2 3.57Å; Y15-L46 HydrophobicContact CD2-CD2 4.38Å; Y15-L46 HydrophobicContact CE1-CD2 3.35Å; Y15-L46 HydrophobicContact CE1-CG 4.1Å; Y15-L46 HydrophobicContact CE2-CD2 4.18Å; Y15-L46 HydrophobicContact CG-CD2 4.09Å; V41-L46 HydrophobicContact CB-CD1 4.41Å; V41-L46 HydrophobicContact CG1-CD1 3.47Å; V41-L46 VanDerWaalsContact CG1-CD1 3.47Å; V41-L46 HydrophobicContact CG1-CD2 4.03Å; V41-L46 HydrophobicContact CG1-CG 3.56Å; H42-L46 PolarHBondContact O-N 2.91Å; F43-L46 WeakPolarHBondContact O-CB 3.37Å; F43-L46 PolarHBondContact O-N 2.87Å; F43-L46 VanDerWaalsContact O-N 3.15Å; N44-L46 VanDerWaalsContact C-N 3.3Å; N44-L46 PolarHBondContact O-N 3.45Å; L46-F49 PolarHBondContact O-N 2.81Å; L46-N50 PolarHBondContact O-N 3.21Å; L46-I57 HydrophobicContact CD1-CD1 4.48Å; L46-L99 HydrophobicContact CD1-CD2 3.73Å
47C85.4Confident85.6Confident39 Ų3949 Ų4926%0.26426%0.259SS..Hα-helixtrans-64.9-40176.6-670000112.3F43 N44 F49 N50F43-C47 WeakPolarHBondContact CE1-SG 3.49Å; F43-C47 PolarHBondContact O-N 2.66Å; F43-C47 PolarHBondContact O-SG 3.36Å; N44-C47 WeakPolarHBondContact O-CB 3.08Å; N44-C47 PolarHBondContact O-N 3.4Å; N44-C47 VanDerWaalsContact O-N 3.16Å; C47-F49 VanDerWaalsContact C-N 3.32Å; C47-N50 CarbonylContact O-C 3.47Å; C47-N50 PolarHBondContact O-N 3.35Å
48E86.4Confident86.2Confident164 Ų16451 Ų5177%0.76627%0.27SS*.Hα-helixtrans-63.7-37.8175.6-74.8-180-175.100112N44N44-E48 WeakPolarHBondContact O-CG 3.44Å; N44-E48 PolarHBondContact O-N 3.28Å
49F86.3Confident86.4Confident58 Ų5852.1 Ų52.125%0.25428%0.278SS..Hα-helixtrans-69.2-48.4175.2-176-101.2000111.8E14 Y15 N45 L46 C47 F53E14-F49 HydrophobicContact CG-CZ 4.44Å; Y15-F49 HydrophobicContact CD2-CB 3.69Å; Y15-F49 HydrophobicContact CD2-CD1 4.07Å; Y15-F49 AromaticContact CD2-CD2 3.99Å; Y15-F49 HydrophobicContact CD2-CD2 3.99Å; Y15-F49 AromaticContact CD2-CG 3.64Å; Y15-F49 HydrophobicContact CD2-CG 3.64Å; Y15-F49 HydrophobicContact CE2-CB 4.03Å; Y15-F49 HydrophobicContact CE2-CG 4.46Å; Y15-F49 HydrophobicContact CG-CD1 4.43Å; Y15-F49 HydrophobicContact CG-CG 4.42Å; N45-F49 PolarHBondContact O-N 2.82Å; N45-F49 VanDerWaalsContact O-N 3.12Å; L46-F49 PolarHBondContact O-N 2.81Å; C47-F49 VanDerWaalsContact C-N 3.32Å; F49-F53 HydrophobicContact CD1-CE2 4.21Å
50N87.4Confident86.5Confident36 Ų3657.5 Ų57.519%0.19330%0.301CS..  trans-157.7125.8177.8-162.5-34.4000112.6L46 C47 I52 F53L46-N50 PolarHBondContact O-N 3.21Å; C47-N50 CarbonylContact O-C 3.47Å; C47-N50 PolarHBondContact O-N 3.35Å; N50-I52 PolarHBondContact O-N 3.45Å; N50-I52 WeakPolarHBondContact OD1-CB 3.37Å; N50-I52 VanDerWaalsContact OD1-CG1 3.23Å; N50-I52 WeakPolarHBondContact OD1-CG1 3.5Å; N50-I52 PolarHBondContact OD1-N 3.08Å; N50-F53 HydrophobicContact CB-CD2 3.86Å; N50-F53 HydrophobicContact CB-CE2 4.01Å; N50-F53 PolarHBondContact O-N 3.34Å
51S85.9Confident86.6Confident82 Ų8254.2 Ų54.257%0.57329%0.285SS*.THydrogen-bonded Turntrans-65.6-19.3177.459.70000114.2F53 S54S51-F53 PolarHBondContact O-N 2.92Å; S51-S54 PolarHBondContact O-N 2.82Å; S51-S54 VanDerWaalsContact O-N 3.17Å; S51-S54 PolarHBondContact O-OG 3.38Å
52I87.2Confident86.5Confident64 Ų6458.5 Ų58.533%0.32830%0.304SS..Hα-helixtrans-61.3-34.9178.3-63.7168.2000110.7N50 S54 E55 L56N50-I52 PolarHBondContact O-N 3.45Å; N50-I52 WeakPolarHBondContact OD1-CB 3.37Å; N50-I52 VanDerWaalsContact OD1-CG1 3.23Å; N50-I52 WeakPolarHBondContact OD1-CG1 3.5Å; N50-I52 PolarHBondContact OD1-N 3.08Å; I52-S54 VanDerWaalsContact C-N 3.32Å; I52-S54 PolarHBondContact O-N 2.93Å; I52-E55 PolarHBondContact O-N 2.95Å; I52-L56 HydrophobicContact CG2-CD1 3.72Å; I52-L56 HydrophobicContact CG2-CG 4.2Å; I52-L56 WeakPolarHBondContact O-CG 3.33Å; I52-L56 PolarHBondContact O-N 2.81Å; I52-L56 VanDerWaalsContact O-N 3.14Å
53F85.5Confident86.6Confident3 Ų360 Ų601%0.01331%0.312CS..Hα-helixtrans-65.3-34179.1-68.4-63.9000112.4I8 L11 F12 F49 N50 S51 L56 I57 L68I8-F53 HydrophobicContact CG2-CE1 3.87Å; L11-F53 HydrophobicContact CB-CZ 4.02Å; F12-F53 HydrophobicContact CB-CE1 4.29Å; F12-F53 HydrophobicContact CB-CZ 4.03Å; F12-F53 HydrophobicContact CD2-CE1 4.31Å; F12-F53 HydrophobicContact CD2-CZ 4.26Å; F49-F53 HydrophobicContact CD1-CE2 4.21Å; N50-F53 HydrophobicContact CB-CD2 3.86Å; N50-F53 HydrophobicContact CB-CE2 4.01Å; N50-F53 PolarHBondContact O-N 3.34Å; S51-F53 PolarHBondContact O-N 2.92Å; F53-L56 PolarHBondContact O-N 3.14Å; F53-I57 HydrophobicContact CB-CD1 4.32Å; F53-I57 VanDerWaalsContact O-CB 3.29Å; F53-I57 WeakPolarHBondContact O-CB 3.46Å; F53-I57 WeakPolarHBondContact O-CD1 3.46Å; F53-I57 WeakPolarHBondContact O-CG1 3.31Å; F53-I57 PolarHBondContact O-N 3.09Å; F53-L68 HydrophobicContact CE1-CD2 4.24Å
54S84.4Confident86.7Confident32 Ų3259.9 Ų59.922%0.22431%0.312CS..Hα-helixtrans-65.5-42.7178.3560000112S51 I52 L58S51-S54 PolarHBondContact O-N 2.82Å; S51-S54 VanDerWaalsContact O-N 3.17Å; S51-S54 PolarHBondContact O-OG 3.38Å; I52-S54 VanDerWaalsContact C-N 3.32Å; I52-S54 PolarHBondContact O-N 2.93Å; S54-L58 VanDerWaalsContact O-CB 3.31Å; S54-L58 WeakPolarHBondContact O-CB 3.48Å; S54-L58 WeakPolarHBondContact O-CD1 2.92Å; S54-L58 WeakPolarHBondContact O-CG 3.36Å; S54-L58 PolarHBondContact O-N 3.48Å; S54-L58 VanDerWaalsContact O-N 3.1Å
55E85Confident86.8Confident143 Ų14356.9 Ų56.967%0.66830%0.296SS*.Hα-helixtrans-67-43.6179.6-168.8-176.817100111I52 S59I52-E55 PolarHBondContact O-N 2.95Å; E55-S59 VanDerWaalsContact O-CB 3.23Å; E55-S59 WeakPolarHBondContact O-CB 3.16Å; E55-S59 PolarHBondContact O-N 3.28Å; E55-S59 PolarHBondContact O-OG 3.16Å
56L87Confident86.9Confident41 Ų4158.9 Ų58.922%0.21531%0.306CS..Hα-helixtrans-67.1-42.8-179.5-70.4176.4000112.8I8 I52 F53 K60 T64I8-L56 HydrophobicContact CD1-CD1 3.7Å; I8-L56 HydrophobicContact CG1-CD1 4.24Å; I52-L56 HydrophobicContact CG2-CD1 3.72Å; I52-L56 HydrophobicContact CG2-CG 4.2Å; I52-L56 WeakPolarHBondContact O-CG 3.33Å; I52-L56 PolarHBondContact O-N 2.81Å; I52-L56 VanDerWaalsContact O-N 3.14Å; F53-L56 PolarHBondContact O-N 3.14Å; L56-K60 CarbonylContact O-C 3.6Å; L56-K60 WeakPolarHBondContact O-CA 3.42Å; L56-K60 PolarHBondContact O-N 3.35Å; L56-T64 HydrophobicContact CB-CG2 4.18Å; L56-T64 PolarHBondContact O-OG1 3.13Å
57I88.9Confident87Confident1 Ų159.7 Ų59.71%0.00531%0.31CS..Hα-helixtrans-67-40178.9-68.1167.9000110.6F43 L46 F53 P61 T64 L99 F122F43-I57 HydrophobicContact CD2-CD1 4.33Å; F43-I57 HydrophobicContact CE2-CB 4.28Å; F43-I57 HydrophobicContact CE2-CD1 4.13Å; F43-I57 HydrophobicContact CE2-CG2 4.12Å; L46-I57 HydrophobicContact CD1-CD1 4.48Å; F53-I57 HydrophobicContact CB-CD1 4.32Å; F53-I57 VanDerWaalsContact O-CB 3.29Å; F53-I57 WeakPolarHBondContact O-CB 3.46Å; F53-I57 WeakPolarHBondContact O-CD1 3.46Å; F53-I57 WeakPolarHBondContact O-CG1 3.31Å; F53-I57 PolarHBondContact O-N 3.09Å; I57-P61 WeakPolarHBondContact O-CA 3.25Å; I57-P61 VanDerWaalsContact O-CB 3.29Å; I57-P61 WeakPolarHBondContact O-CB 3.33Å; I57-P61 WeakPolarHBondContact O-CD 3.47Å; I57-T64 HydrophobicContact CG1-CG2 3.77Å; I57-L99 HydrophobicContact CD1-CD1 4.06Å; I57-L99 HydrophobicContact CG2-CD1 3.89Å; I57-F122 HydrophobicContact CG2-CB 4.46Å; I57-F122 HydrophobicContact CG2-CD1 3.95Å; I57-F122 HydrophobicContact CG2-CE1 4.47Å; I57-F122 HydrophobicContact CG2-CG 4.26Å
58L86.1Confident87.1Confident57 Ų5757.9 Ų57.930%0.29830%0.298SS..Hα-helixtrans-75.6-36.5-179-67.6173.8000113S54 V108S54-L58 VanDerWaalsContact O-CB 3.31Å; S54-L58 WeakPolarHBondContact O-CB 3.48Å; S54-L58 WeakPolarHBondContact O-CD1 2.92Å; S54-L58 WeakPolarHBondContact O-CG 3.36Å; S54-L58 PolarHBondContact O-N 3.48Å; S54-L58 VanDerWaalsContact O-N 3.1Å; L58-V108 HydrophobicContact CD2-CG1 4.24Å; L58-V108 HydrophobicContact CD2-CG2 3.86Å
59S84.8Confident87.2Confident70 Ų7051.6 Ų51.649%0.4927%0.27SS..Hα-helixtrans-84.8-43.4-178.262.30000113.7E55E55-S59 VanDerWaalsContact O-CB 3.23Å; E55-S59 WeakPolarHBondContact O-CB 3.16Å; E55-S59 PolarHBondContact O-N 3.28Å; E55-S59 PolarHBondContact O-OG 3.16Å
60K87.9Confident87.2Confident116 Ų11654.6 Ų54.650%0.50428%0.283SS..  trans-137.270.8-176-67.2-171177.3-172.60111.1L56 E62 E63 T64L56-K60 CarbonylContact O-C 3.6Å; L56-K60 WeakPolarHBondContact O-CA 3.42Å; L56-K60 PolarHBondContact O-N 3.35Å; K60-E62 PolarHBondContact O-N 3.34Å; K60-E63 WeakPolarHBondContact CD-OE2 3.46Å; K60-E63 IonicContact NZ-OE2 3.74Å; K60-T64 WeakPolarHBondContact O-CB 3.5Å; K60-T64 PolarHBondContact O-N 3.21Å; K60-T64 PolarHBondContact O-OG1 3.05Å
61P89.9Confident87.1Confident3 Ų352.9 Ų52.92%0.01927%0.273CS..Hα-helixtrans-64.9-39.9-175.121.1-31000113.6I57 T64 L65 G120 F122 V241I57-P61 WeakPolarHBondContact O-CA 3.25Å; I57-P61 VanDerWaalsContact O-CB 3.29Å; I57-P61 WeakPolarHBondContact O-CB 3.33Å; I57-P61 WeakPolarHBondContact O-CD 3.47Å; P61-T64 PolarHBondContact O-N 2.8Å; P61-L65 VanDerWaalsContact O-CB 3.28Å; P61-L65 WeakPolarHBondContact O-CB 3.19Å; P61-L65 WeakPolarHBondContact O-CG 3.4Å; P61-L65 PolarHBondContact O-N 2.94Å; P61-G120 WeakPolarHBondContact CD-O 3.29Å; P61-G120 WeakPolarHBondContact CG-O 3.45Å; P61-F122 HydrophobicContact CB-CB 4Å; P61-F122 HydrophobicContact CB-CD2 4.04Å; P61-F122 HydrophobicContact CB-CG 4.34Å; P61-F122 HydrophobicContact CG-CB 4.22Å; P61-V241 HydrophobicContact CB-CG2 3.6Å; P61-V241 HydrophobicContact CG-CB 4.36Å; P61-V241 HydrophobicContact CG-CG1 3.83Å; P61-V241 HydrophobicContact CG-CG2 3.59Å
62E86.8Confident87Confident89 Ų8949 Ų4942%0.41625%0.246SC..Hα-helixtrans-66.9-45.2-173.5-62.1-165.3154.600112.7K60 N66 V241K60-E62 PolarHBondContact O-N 3.34Å; E62-N66 WeakPolarHBondContact O-CB 2.97Å; E62-N66 VanDerWaalsContact O-CG 3.22Å; E62-N66 PolarHBondContact O-N 3.18Å; E62-N66 PolarHBondContact O-ND2 3.27Å; E62-V241 HydrophobicContact CG-CG1 4.25Å; E62-V241 HydrophobicContact CG-CG2 4.43Å
63E88Confident86.6Confident117 Ų11747.1 Ų47.155%0.54724%0.235SC..Hα-helixtrans-63.2-46.3175.5-67.3-177.9175.400110.2K60 N66 L67K60-E63 WeakPolarHBondContact CD-OE2 3.46Å; K60-E63 IonicContact NZ-OE2 3.74Å; E63-N66 PolarHBondContact O-N 3.47Å; E63-L67 WeakPolarHBondContact O-CG 3.45Å; E63-L67 PolarHBondContact O-N 3.44Å
64T88.5Confident86.4Confident5 Ų551.5 Ų51.53%0.03126%0.256CS..Hα-helixtrans-63.5-51.4-178.1-54.10000111.1L56 I57 K60 P61 N66 L67 L68L56-T64 HydrophobicContact CB-CG2 4.18Å; L56-T64 PolarHBondContact O-OG1 3.13Å; I57-T64 HydrophobicContact CG1-CG2 3.77Å; K60-T64 WeakPolarHBondContact O-CB 3.5Å; K60-T64 PolarHBondContact O-N 3.21Å; K60-T64 PolarHBondContact O-OG1 3.05Å; P61-T64 PolarHBondContact O-N 2.8Å; T64-N66 VanDerWaalsContact C-N 3.26Å; T64-N66 PolarHBondContact O-N 3.35Å; T64-L67 WeakPolarHBondContact O-CA 3.31Å; T64-L67 WeakPolarHBondContact O-CB 3.34Å; T64-L67 PolarHBondContact O-N 3.46Å; T64-L68 HydrophobicContact CG2-CD1 4.19Å; T64-L68 HydrophobicContact CG2-CG 4.23Å; T64-L68 VanDerWaalsContact O-CG 3.27Å; T64-L68 WeakPolarHBondContact O-CG 3.23Å; T64-L68 PolarHBondContact O-N 3.46Å
65L89Confident86.2Confident19 Ų1950.2 Ų50.210%0.09925%0.246CC..Hα-helixtrans-57.1-38.9178-72171.3000112.2P61 L68 N69 L99 F122P61-L65 VanDerWaalsContact O-CB 3.28Å; P61-L65 WeakPolarHBondContact O-CB 3.19Å; P61-L65 WeakPolarHBondContact O-CG 3.4Å; P61-L65 PolarHBondContact O-N 2.94Å; L65-L68 HydrophobicContact CD2-CD1 4.48Å; L65-L68 PolarHBondContact O-N 3.11Å; L65-N69 VanDerWaalsContact O-CG 3.23Å; L65-N69 PolarHBondContact O-N 3Å; L65-N69 PolarHBondContact O-ND2 3.04Å; L65-L99 HydrophobicContact CD2-CD1 3.92Å; L65-L99 HydrophobicContact CD2-CG 4.37Å; L65-F122 HydrophobicContact CD1-CE2 4.43Å
66N87.6Confident85.9Confident97 Ų9743.7 Ų43.752%0.51922%0.216SC..Hα-helixtrans-66-37.2175-74.6-32.3000112.7E62 E63 T64 K70E62-N66 WeakPolarHBondContact O-CB 2.97Å; E62-N66 VanDerWaalsContact O-CG 3.22Å; E62-N66 PolarHBondContact O-N 3.18Å; E62-N66 PolarHBondContact O-ND2 3.27Å; E63-N66 PolarHBondContact O-N 3.47Å; T64-N66 VanDerWaalsContact C-N 3.26Å; T64-N66 PolarHBondContact O-N 3.35Å; N66-K70 VanDerWaalsContact O-CG 3.31Å; N66-K70 WeakPolarHBondContact O-CG 3.42Å; N66-K70 PolarHBondContact O-N 3.25Å
67L88.8Confident85.4Confident17 Ų1745.9 Ų45.99%0.08923%0.225CC..Hα-helixtrans-67.8-41.6173.9-67.7174000111.5N5 I8 I9 E63 T64 K70 S71N5-L67 HydrophobicContact CB-CD1 4.26Å; N5-L67 HydrophobicContact CB-CD2 3.92Å; I8-L67 HydrophobicContact CD1-CD1 4.29Å; I9-L67 HydrophobicContact CD1-CD2 4.13Å; I9-L67 HydrophobicContact CG1-CB 4.49Å; I9-L67 HydrophobicContact CG1-CD2 4.45Å; E63-L67 WeakPolarHBondContact O-CG 3.45Å; E63-L67 PolarHBondContact O-N 3.44Å; T64-L67 WeakPolarHBondContact O-CA 3.31Å; T64-L67 WeakPolarHBondContact O-CB 3.34Å; T64-L67 PolarHBondContact O-N 3.46Å; L67-K70 WeakPolarHBondContact O-CB 3.35Å; L67-K70 PolarHBondContact O-N 3.27Å; L67-S71 PolarHBondContact O-N 3.31Å
68L88.4Confident84.8Confident1 Ų149.3 Ų49.31%0.00525%0.25CC..Hα-helixtrans-62.5-47.2177.5-59.8178.2000110.3F12 F53 T64 L65 K70 S71 V72 I97F12-L68 HydrophobicContact CB-CD2 4.04Å; F12-L68 HydrophobicContact CD1-CD2 4.05Å; F12-L68 HydrophobicContact CD2-CD2 3.37Å; F12-L68 HydrophobicContact CE1-CB 4.34Å; F12-L68 HydrophobicContact CE1-CD2 4.24Å; F12-L68 HydrophobicContact CE2-CD1 4.42Å; F12-L68 HydrophobicContact CE2-CD2 3.63Å; F12-L68 HydrophobicContact CE2-CG 4.47Å; F12-L68 HydrophobicContact CG-CD2 3.55Å; F12-L68 HydrophobicContact CZ-CB 4.37Å; F12-L68 HydrophobicContact CZ-CD2 4.05Å; F53-L68 HydrophobicContact CE1-CD2 4.24Å; T64-L68 HydrophobicContact CG2-CD1 4.19Å; T64-L68 HydrophobicContact CG2-CG 4.23Å; T64-L68 VanDerWaalsContact O-CG 3.27Å; T64-L68 WeakPolarHBondContact O-CG 3.23Å; T64-L68 PolarHBondContact O-N 3.46Å; L65-L68 HydrophobicContact CD2-CD1 4.48Å; L65-L68 PolarHBondContact O-N 3.11Å; L68-K70 VanDerWaalsContact C-N 3.26Å; L68-K70 PolarHBondContact O-N 3.25Å; L68-S71 PolarHBondContact O-N 2.57Å; L68-S71 PolarHBondContact O-OG 2.9Å; L68-V72 PolarHBondContact O-N 3.21Å; L68-I97 HydrophobicContact CB-CD1 3.34Å; L68-I97 VanDerWaalsContact O-CD1 3.25Å; L68-I97 WeakPolarHBondContact O-CD1 3.29Å
69N88.1Confident83.9Confident32 Ų3250.8 Ų50.817%0.17126%0.258CS..Hα-helixtrans-57.8-39.8177.1-68.7-21000112L65 S71 V72 Y73 I97L65-N69 VanDerWaalsContact O-CG 3.23Å; L65-N69 PolarHBondContact O-N 3Å; L65-N69 PolarHBondContact O-ND2 3.04Å; N69-S71 VanDerWaalsContact C-N 3.34Å; N69-S71 PolarHBondContact O-N 3.03Å; N69-V72 PolarHBondContact O-N 3.1Å; N69-Y73 PolarHBondContact O-N 3.23Å; N69-I97 PolarHBondContact OD1-N 3.01Å
70K85.7Confident82.9Confident121 Ų12150 Ų5053%0.52625%0.246SC..Hα-helixtrans-63.2-38174.9-73.1171.7-177.1176.70112.8N66 L67 L68 Y73 Q74N66-K70 VanDerWaalsContact O-CG 3.31Å; N66-K70 WeakPolarHBondContact O-CG 3.42Å; N66-K70 PolarHBondContact O-N 3.25Å; L67-K70 WeakPolarHBondContact O-CB 3.35Å; L67-K70 PolarHBondContact O-N 3.27Å; L68-K70 VanDerWaalsContact C-N 3.26Å; L68-K70 PolarHBondContact O-N 3.25Å; K70-Y73 WeakPolarHBondContact O-CB 3.27Å; K70-Y73 PolarHBondContact O-N 3.49Å; K70-Q74 WeakPolarHBondContact O-CG 3.4Å; K70-Q74 PolarHBondContact O-N 3.45Å
71S84.9Confident81.4Confident0 Ų050.3 Ų50.30%026%0.257CS..Hα-helixtrans-68.1-37.8-179.768.20000112.8F12 L67 L68 N69 Y73 Q74 V75F12-S71 WeakPolarHBondContact CD1-OG 3.1Å; L67-S71 PolarHBondContact O-N 3.31Å; L68-S71 PolarHBondContact O-N 2.57Å; L68-S71 PolarHBondContact O-OG 2.9Å; N69-S71 VanDerWaalsContact C-N 3.34Å; N69-S71 PolarHBondContact O-N 3.03Å; S71-Y73 VanDerWaalsContact C-N 3.31Å; S71-Y73 PolarHBondContact O-N 2.92Å; S71-Q74 PolarHBondContact O-N 3.38Å; S71-V75 WeakPolarHBondContact O-CG2 3.46Å; S71-V75 PolarHBondContact O-N 3.47Å; S71-V75 VanDerWaalsContact O-N 3.09Å
72V83.9Confident79.6Confident1 Ų157.7 Ų57.71%0.00630%0.296CS..Hα-helixtrans-60.9-44.4172.7172.50000110.5F12 L16 I39 L68 N69 Q74 V75 I76 I95 I97F12-V72 HydrophobicContact CE1-CG2 4.15Å; L16-V72 HydrophobicContact CD1-CB 4.28Å; L16-V72 HydrophobicContact CD1-CG2 3.53Å; L16-V72 HydrophobicContact CD2-CG2 4.28Å; I39-V72 HydrophobicContact CD1-CB 4.5Å; I39-V72 HydrophobicContact CD1-CG1 3.62Å; I39-V72 HydrophobicContact CD1-CG2 3.96Å; L68-V72 PolarHBondContact O-N 3.21Å; N69-V72 PolarHBondContact O-N 3.1Å; V72-Q74 VanDerWaalsContact C-N 3.31Å; V72-Q74 PolarHBondContact O-N 3.01Å; V72-V75 PolarHBondContact O-N 3.08Å; V72-I76 HydrophobicContact CG1-CD1 3.73Å; V72-I76 HydrophobicContact CG1-CG1 4.41Å; V72-I76 WeakPolarHBondContact O-CG1 3.33Å; V72-I76 PolarHBondContact O-N 2.99Å; V72-I95 HydrophobicContact CG1-CG2 3.65Å; V72-I97 HydrophobicContact CG2-CD1 3.53Å; V72-I97 HydrophobicContact CG2-CG1 3.79Å
73Y79.1Confident77.9Confident25 Ų2555.8 Ų55.810%0.09829%0.293CS..Hα-helixtrans-58.9-42.4176.5174.3-96000112.2N69 K70 S71 V75 I76 Q77 L88 I91 Q92N69-Y73 PolarHBondContact O-N 3.23Å; K70-Y73 WeakPolarHBondContact O-CB 3.27Å; K70-Y73 PolarHBondContact O-N 3.49Å; S71-Y73 VanDerWaalsContact C-N 3.31Å; S71-Y73 PolarHBondContact O-N 2.92Å; Y73-V75 VanDerWaalsContact C-N 3.34Å; Y73-V75 PolarHBondContact O-N 3.16Å; Y73-I76 PolarHBondContact O-N 2.95Å; Y73-Q77 WeakPolarHBondContact O-CB 3.27Å; Y73-Q77 PolarHBondContact O-N 2.81Å; Y73-L88 HydrophobicContact CE2-CD2 4.22Å; Y73-L88 WeakPolarHBondContact CE2-O 3.39Å; Y73-I91 HydrophobicContact CE2-CB 4.46Å; Y73-Q92 HydrophobicContact CD1-CG 3.98Å; Y73-Q92 HydrophobicContact CD2-CB 4.25Å; Y73-Q92 HydrophobicContact CD2-CG 3.55Å; Y73-Q92 HydrophobicContact CE1-CG 3.71Å; Y73-Q92 HydrophobicContact CE2-CB 4.26Å; Y73-Q92 HydrophobicContact CE2-CG 3.23Å; Y73-Q92 HydrophobicContact CG-CG 3.89Å; Y73-Q92 PolarHBondContact OH-NE2 2.85Å; Y73-Q92 VanDerWaalsContact OH-NE2 3.13Å
74Q81.1Confident76Confident94 Ų9454.4 Ų54.444%0.43929%0.294SS..Hα-helixtrans-62.3-39.1176.3-72.2-177.8-1.700112.8K70 S71 V72 Q77 S78K70-Q74 WeakPolarHBondContact O-CG 3.4Å; K70-Q74 PolarHBondContact O-N 3.45Å; S71-Q74 PolarHBondContact O-N 3.38Å; V72-Q74 VanDerWaalsContact C-N 3.31Å; V72-Q74 PolarHBondContact O-N 3.01Å; Q74-Q77 PolarHBondContact O-N 3.48Å; Q74-S78 PolarHBondContact O-N 2.97Å; Q74-S78 PolarHBondContact O-OG 2.84Å
75V81.1Confident74.3Confident5 Ų562.4 Ų62.43%0.0333%0.328CS..Hα-helixtrans-70.1-36.1177.8177.40000111.9L16 L17 I24 S71 V72 Y73 Q77 S78 N79L16-V75 HydrophobicContact CD1-CG2 4.17Å; L17-V75 HydrophobicContact CD2-CG1 3.9Å; L17-V75 HydrophobicContact CG-CG1 4.3Å; I24-V75 HydrophobicContact CD1-CG1 3.99Å; I24-V75 HydrophobicContact CG2-CG1 4.26Å; S71-V75 WeakPolarHBondContact O-CG2 3.46Å; S71-V75 PolarHBondContact O-N 3.47Å; S71-V75 VanDerWaalsContact O-N 3.09Å; V72-V75 PolarHBondContact O-N 3.08Å; Y73-V75 VanDerWaalsContact C-N 3.34Å; Y73-V75 PolarHBondContact O-N 3.16Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; V75-S78 PolarHBondContact O-N 2.81Å; V75-S78 PolarHBondContact O-OG 3.27Å; V75-N79 PolarHBondContact O-N 3.14Å; V75-N79 PolarHBondContact O-ND2 3.34Å
76I77.6Confident72.3Confident7 Ų769.6 Ų69.64%0.03636%0.361CS..Hα-helixtrans-69-39.2174.8-67.6168.8000110.3I24 L31 V72 Y73 N79 K80 I95I24-I76 HydrophobicContact CG2-CG1 4.38Å; L31-I76 HydrophobicContact CD1-CG2 4.18Å; V72-I76 HydrophobicContact CG1-CD1 3.73Å; V72-I76 HydrophobicContact CG1-CG1 4.41Å; V72-I76 WeakPolarHBondContact O-CG1 3.33Å; V72-I76 PolarHBondContact O-N 2.99Å; Y73-I76 PolarHBondContact O-N 2.95Å; I76-N79 PolarHBondContact O-N 3.13Å; I76-K80 PolarHBondContact O-N 3.27Å; I76-I95 HydrophobicContact CD1-CD1 3.23Å
77Q76.4Confident70.5Confident86 Ų8670.5 Ų70.540%0.40237%0.365SS..Hα-helixtrans-64.3-39.3176.3-176.5170.530.700112.2Y73 Q74 V75 N79 K80 L88Y73-Q77 WeakPolarHBondContact O-CB 3.27Å; Y73-Q77 PolarHBondContact O-N 2.81Å; Q74-Q77 PolarHBondContact O-N 3.48Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; Q77-N79 VanDerWaalsContact C-N 3.29Å; Q77-N79 PolarHBondContact O-N 3.3Å; Q77-K80 PolarHBondContact O-N 3.12Å; Q77-L88 HydrophobicContact CB-CD2 3.98Å; Q77-L88 HydrophobicContact CG-CD2 3.7Å
78S76.5Confident68.7Low74 Ų7470.3 Ų70.352%0.51737%0.365SS..Hα-helixtrans-68.4-28.6177.963.80000113.1Q74 V75Q74-S78 PolarHBondContact O-N 2.97Å; Q74-S78 PolarHBondContact O-OG 2.84Å; V75-S78 PolarHBondContact O-N 2.81Å; V75-S78 PolarHBondContact O-OG 3.27Å
79N68.6Low67Low87 Ų8774.2 Ų74.247%0.46539%0.385SS..Hα-helixtrans-80.3-23.3176.6-74.4-31.4000113.9V75 I76 Q77V75-N79 PolarHBondContact O-N 3.14Å; V75-N79 PolarHBondContact O-ND2 3.34Å; I76-N79 PolarHBondContact O-N 3.13Å; Q77-N79 VanDerWaalsContact C-N 3.29Å; Q77-N79 PolarHBondContact O-N 3.3Å
80K63.3Low65.4Low55 Ų5575.7 Ų75.724%0.23939%0.393CS..  trans-102.882.2178.3-70.3-171.4176.4-176.10110.6S28 I76 Q77 D82S28-K80 WeakPolarHBondContact O-CE 3.44Å; S28-K80 PolarHBondContact O-NZ 2.86Å; S28-K80 WeakPolarHBondContact OG-CE 3.44Å; I76-K80 PolarHBondContact O-N 3.27Å; Q77-K80 PolarHBondContact O-N 3.12Å; K80-D82 PolarHBondContact O-N 3.48Å
81V55.9Low64Low121 Ų12171.4 Ų71.473%0.73338%0.376SS*.THydrogen-bonded Turntrans-70.7-13.9-177.6178.10000113.4
82D52.3Low62.7Low158 Ų15875.6 Ų75.685%0.84540%0.395SS*.THydrogen-bonded Turntrans-12411.8-163.4-61.7-41.3000118.1K80K80-D82 PolarHBondContact O-N 3.48Å
83S51.8Low61.6Low50 Ų5078.7 Ų78.735%0.3541%0.41SS..SBendtrans-111.5140.9-178.5580000114.9L88S83-L88 WeakPolarHBondContact OG-CD1 3.37Å
84P48.4Very low61.1Low88 Ų8879.8 Ų79.857%0.57142%0.417SS*.  trans-64.3133.9-173.326-34000112.7Q86 L87P84-Q86 PolarHBondContact O-N 3.32Å; P84-L87 HydrophobicContact CG-CD1 4.26Å; P84-L87 PolarHBondContact O-N 3.47Å; P84-L87 VanDerWaalsContact O-N 3.13Å
85K51.7Low60.9Low173 Ų17375.5 Ų75.575%0.75240%0.398SS*.Hα-helixtrans-47.7-24.7-174.6-65.9176.5178.4176.50115.8L88K85-L88 WeakPolarHBondContact O-CB 3.23Å; K85-L88 PolarHBondContact O-N 3.15Å
86Q47.5Very low61Low170 Ų17076.4 Ų76.479%0.79440%0.401SS*.Hα-helixtrans-77.8-27.1-176.8-72176.2-12.800114.4P84 L88P84-Q86 PolarHBondContact O-N 3.32Å; Q86-L88 VanDerWaalsContact C-N 3.28Å
87L48.4Very low61.6Low115 Ų11576.1 Ų76.160%0.60240%0.4SS*.Hα-helixtrans-74.6-25171.5-80163.6000111.3P84P84-L87 HydrophobicContact CG-CD1 4.26Å; P84-L87 PolarHBondContact O-N 3.47Å; P84-L87 VanDerWaalsContact O-N 3.13Å
88L51.6Low62.2Low14 Ų1472.3 Ų72.37%0.07338%0.382CS..Hα-helixtrans-74.5-32-176.9-101.997000113.9Y73 Q77 S83 K85 Q86 N90 I91 Q92Y73-L88 HydrophobicContact CE2-CD2 4.22Å; Y73-L88 WeakPolarHBondContact CE2-O 3.39Å; Q77-L88 HydrophobicContact CB-CD2 3.98Å; Q77-L88 HydrophobicContact CG-CD2 3.7Å; S83-L88 WeakPolarHBondContact OG-CD1 3.37Å; K85-L88 WeakPolarHBondContact O-CB 3.23Å; K85-L88 PolarHBondContact O-N 3.15Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; L88-N90 VanDerWaalsContact C-N 3.25Å; L88-N90 PolarHBondContact O-N 2.95Å; L88-I91 WeakPolarHBondContact O-CB 3.4Å; L88-I91 PolarHBondContact O-N 2.99Å; L88-Q92 PolarHBondContact O-N 2.81Å
89D52.3Low62.9Low82 Ų8268.8 Ų68.844%0.43936%0.357SS..Hα-helixtrans-66.1-29-178-77-20.8000112.8I91 Q92D89-I91 VanDerWaalsContact C-N 3.27Å; D89-I91 PolarHBondContact O-N 2.93Å; D89-Q92 PolarHBondContact OD1-NE2 2.99Å; D89-Q92 VanDerWaalsContact OD1-NE2 3.17Å
90N54.8Low63.7Low63 Ų6364.9 Ų64.934%0.33734%0.336SS..Hα-helixtrans-69.9-27172.9-67.9-19.8000112.1L88 Q92 N94L88-N90 VanDerWaalsContact C-N 3.25Å; L88-N90 PolarHBondContact O-N 2.95Å; N90-Q92 VanDerWaalsContact C-N 3.35Å; N90-N94 VanDerWaalsContact O-CG 3.28Å; N90-N94 PolarHBondContact O-ND2 2.86Å; N90-N94 PolarHBondContact O-OD1 3.33Å
91I58Low64.4Low31 Ų3164.1 Ų64.116%0.15934%0.341CS..Hα-helixtrans-75.4-27-178.1-57.5173.9000110.9L31 Y73 L88 D89 Q93 N94 I95L31-I91 HydrophobicContact CD2-CG2 4.06Å; Y73-I91 HydrophobicContact CE2-CB 4.46Å; L88-I91 WeakPolarHBondContact O-CB 3.4Å; L88-I91 PolarHBondContact O-N 2.99Å; D89-I91 VanDerWaalsContact C-N 3.27Å; D89-I91 PolarHBondContact O-N 2.93Å; I91-Q93 PolarHBondContact O-N 3.37Å; I91-Q93 VanDerWaalsContact O-N 3.09Å; I91-N94 PolarHBondContact O-N 3.24Å; I91-N94 VanDerWaalsContact O-N 3.15Å; I91-I95 HydrophobicContact CG2-CD1 3.75Å; I91-I95 HydrophobicContact CG2-CG1 4.33Å
92Q56.8Low65.7Low89 Ų8959 Ų5942%0.41631%0.309SS..THydrogen-bonded Turntrans-55.9-31.3-177.4-72.5-179.210.400114Y73 L88 D89 N90Y73-Q92 HydrophobicContact CD1-CG 3.98Å; Y73-Q92 HydrophobicContact CD2-CB 4.25Å; Y73-Q92 HydrophobicContact CD2-CG 3.55Å; Y73-Q92 HydrophobicContact CE1-CG 3.71Å; Y73-Q92 HydrophobicContact CE2-CB 4.26Å; Y73-Q92 HydrophobicContact CE2-CG 3.23Å; Y73-Q92 HydrophobicContact CG-CG 3.89Å; Y73-Q92 PolarHBondContact OH-NE2 2.85Å; Y73-Q92 VanDerWaalsContact OH-NE2 3.13Å; L88-Q92 PolarHBondContact O-N 2.81Å; D89-Q92 PolarHBondContact OD1-NE2 2.99Å; D89-Q92 VanDerWaalsContact OD1-NE2 3.17Å; N90-Q92 VanDerWaalsContact C-N 3.35Å
93Q59.7Low67Low65 Ų6553.1 Ų53.130%0.30428%0.279SS..THydrogen-bonded Turntrans-98.7-6.5-173.4-64.3179.927.300113.2I91 H96I91-Q93 PolarHBondContact O-N 3.37Å; I91-Q93 VanDerWaalsContact O-N 3.09Å; Q93-H96 PolarHBondContact O-CE1 3.18Å; Q93-H96 PolarHBondContact O-NE2 3.34Å
94N70Confident68.2Low48 Ų4857.8 Ų57.826%0.25730%0.299SS..THydrogen-bonded Turntrans-98.9-7.9-168.1-71.511.4000112.7P35 H36 Q37 N90 I91P35-N94 WeakPolarHBondContact O-CB 3.13Å; P35-N94 PolarHBondContact O-ND2 3.39Å; H36-N94 CarbonylContact C-O 3.37Å; H36-N94 VanDerWaalsContact CA-O 3.29Å; H36-N94 WeakPolarHBondContact CA-O 2.75Å; Q37-N94 PolarHBondContact N-O 2.64Å; N90-N94 VanDerWaalsContact O-CG 3.28Å; N90-N94 PolarHBondContact O-ND2 2.86Å; N90-N94 PolarHBondContact O-OD1 3.33Å; I91-N94 PolarHBondContact O-N 3.24Å; I91-N94 VanDerWaalsContact O-N 3.15Å
95I77Confident69.5Low5 Ų557.6 Ų57.63%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-111.6122.4-175.4-52.4-180000109.6Q37 V72 I76 I91Q37-I95 WeakPolarHBondContact O-CA 3.04Å; V72-I95 HydrophobicContact CG1-CG2 3.65Å; I76-I95 HydrophobicContact CD1-CD1 3.23Å; I91-I95 HydrophobicContact CG2-CD1 3.75Å; I91-I95 HydrophobicContact CG2-CG1 4.33Å
96H83.6Confident70.6Confident23 Ų2354.6 Ų54.611%0.10629%0.291CS..EExtended strand (participates in β ladder)trans-121.3137.6-177.8-57.5-60.3000111.3H36 Q37 S38 I39 Q93 D224H36-H96 AromaticContact ND1-NE2 3.58Å; Q37-H96 PolarHBondContact O-N 2.97Å; S38-H96 VanDerWaalsContact CA-O 3.23Å; S38-H96 WeakPolarHBondContact CA-O 3.49Å; I39-H96 PolarHBondContact N-O 3.45Å; Q93-H96 PolarHBondContact O-CE1 3.18Å; Q93-H96 PolarHBondContact O-NE2 3.34Å; H96-D224 IonicContact CE1-OD2 3.5Å; H96-D224 IonicContact NE2-OD2 3.65Å; H96-D224 PolarHBondContact NE2-OD2 3.19Å
97I88.3Confident71.8Confident1 Ų153.3 Ų53.31%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-93.1122172.2-63.8162.9000109.1F12 V41 L68 N69 V72 L99 N264F12-I97 HydrophobicContact CE1-CD1 3.66Å; F12-I97 HydrophobicContact CZ-CD1 3.83Å; V41-I97 HydrophobicContact CB-CG2 4.37Å; V41-I97 HydrophobicContact CG2-CG2 3.89Å; L68-I97 HydrophobicContact CB-CD1 3.34Å; L68-I97 VanDerWaalsContact O-CD1 3.25Å; L68-I97 WeakPolarHBondContact O-CD1 3.29Å; N69-I97 PolarHBondContact OD1-N 3.01Å; V72-I97 HydrophobicContact CG2-CD1 3.53Å; V72-I97 HydrophobicContact CG2-CG1 3.79Å; I97-L99 HydrophobicContact CG2-CD2 4.27Å; I97-N264 PolarHBondContact O-ND2 3.19Å; I97-N264 VanDerWaalsContact O-ND2 3.16Å; I97-N264 PolarHBondContact O-OD1 2.81Å; I97-N264 VanDerWaalsContact O-OD1 3.1Å
98R90.8Very high73.3Confident6 Ų648.4 Ų48.42%0.02326%0.259CS..EExtended strand (participates in β ladder)trans-105.1119-177.9-57.4-64.7178.4-158.90.2107.8I39 I40 V41 D225 N264 Y265I39-R98 PolarHBondContact O-N 2.93Å; I40-R98 CarbonylContact C-O 3.53Å; I40-R98 WeakPolarHBondContact CA-O 3.47Å; I40-R98 HydrophobicContact CG1-CB 4.47Å; V41-R98 PolarHBondContact N-O 3.28Å; R98-D225 IonicContact CZ-OD1 2.68Å; R98-D225 VanDerWaalsContact CZ-OD1 3.25Å; R98-D225 IonicContact NE-OD1 3.75Å; R98-D225 PolarHBondContact NE-OD1 2.52Å; R98-D225 IonicContact NE-OD2 3.16Å; R98-D225 PolarHBondContact NE-OD2 3.45Å; R98-D225 IonicContact NH2-OD1 2.82Å; R98-D225 PolarHBondContact NH2-OD1 3.13Å; R98-D225 IonicContact NH2-OD2 3.43Å; R98-N264 WeakPolarHBondContact CD-O 3.42Å; R98-N264 PolarHBondContact NE-O 3.39Å; R98-N264 PolarHBondContact NH1-O 3.15Å; R98-N264 PolarHBondContact NH1-OD1 3.46Å; R98-Y265 HydrophobicContact CB-CD2 3.62Å; R98-Y265 HydrophobicContact CB-CE2 4.34Å; R98-Y265 HydrophobicContact CB-CG 4.06Å; R98-Y265 HydrophobicContact CG-CD2 4.06Å
99L89.4Confident74.9Confident0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-93.5130-178.9-63.8175.2000110.8V41 L46 I57 L65 I97 F122 N239 N264V41-L99 HydrophobicContact CB-CD2 4.27Å; V41-L99 WeakPolarHBondContact O-CA 3Å; L46-L99 HydrophobicContact CD1-CD2 3.73Å; I57-L99 HydrophobicContact CD1-CD1 4.06Å; I57-L99 HydrophobicContact CG2-CD1 3.89Å; L65-L99 HydrophobicContact CD2-CD1 3.92Å; L65-L99 HydrophobicContact CD2-CG 4.37Å; I97-L99 HydrophobicContact CG2-CD2 4.27Å; L99-F122 HydrophobicContact CB-CE1 4.25Å; L99-F122 HydrophobicContact CB-CZ 4.25Å; L99-F122 HydrophobicContact CD1-CE1 3.99Å; L99-F122 HydrophobicContact CD1-CZ 4.1Å; L99-N239 PolarHBondContact O-ND2 3.49Å; L99-N264 PolarHBondContact N-ND2 3.36Å
100T85.7Confident76.3Confident5 Ų548.1 Ų48.13%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-118.9165.8177.652.80000112.1I40 V41 H42 F43 L102 Y265 E267I40-T100 HydrophobicContact CG2-CG2 3.4Å; I40-T100 VanDerWaalsContact CG2-CG2 3.4Å; V41-T100 PolarHBondContact O-N 3.12Å; V41-T100 PolarHBondContact O-OG1 3.35Å; H42-T100 WeakPolarHBondContact CA-OG1 3.42Å; H42-T100 PolarHBondContact ND1-OG1 3.13Å; F43-T100 VanDerWaalsContact CB-O 3.3Å; F43-T100 WeakPolarHBondContact CB-O 3.28Å; F43-T100 PolarHBondContact N-O 3.5Å; T100-L102 PolarHBondContact O-N 3.23Å; T100-Y265 HydrophobicContact CG2-CD1 3.36Å; T100-Y265 HydrophobicContact CG2-CE1 3.15Å; T100-Y265 HydrophobicContact CG2-CG 4.26Å; T100-E267 WeakPolarHBondContact CB-OE1 3.44Å; T100-E267 WeakPolarHBondContact CG2-OE1 3.43Å
101A79.4Confident77.5Confident40 Ų4048.1 Ų48.133%0.33125%0.252SS..  trans55.753.2171.800000114.3N44N44-A101 PolarHBondContact OD1-O 2.91Å
102L82.8Confident78.7Confident13 Ų1352.8 Ų52.87%0.06827%0.273CS..  trans-63149.7168.8-77167.2000111F43 T100 V108 F122 A124 N239F43-L102 HydrophobicContact CB-CD2 4.43Å; F43-L102 HydrophobicContact CD1-CD2 4.25Å; F43-L102 HydrophobicContact CD2-CD2 3.89Å; F43-L102 HydrophobicContact CE1-CD2 4.47Å; F43-L102 HydrophobicContact CE2-CD2 4.15Å; F43-L102 HydrophobicContact CG-CD2 3.93Å; F43-L102 HydrophobicContact CZ-CD2 4.42Å; T100-L102 PolarHBondContact O-N 3.23Å; L102-V108 HydrophobicContact CB-CG1 4.01Å; L102-V108 HydrophobicContact CD1-CG1 4.07Å; L102-V108 HydrophobicContact CD2-CG1 4.09Å; L102-V108 HydrophobicContact CG-CG1 4.3Å; L102-F122 HydrophobicContact CD1-CD1 3.75Å; L102-F122 HydrophobicContact CD1-CE1 3.59Å; L102-F122 HydrophobicContact CD2-CD1 3.82Å; L102-F122 HydrophobicContact CD2-CE1 3.91Å; L102-F122 HydrophobicContact CG-CD1 4.35Å; L102-F122 HydrophobicContact CG-CE1 4.11Å; L102-A124 HydrophobicContact CB-CB 4.25Å; L102-A124 HydrophobicContact CD1-CB 3.75Å; L102-N239 HydrophobicContact CD1-CB 4.22Å
103P78.7Confident80Confident34 Ų3449.4 Ų49.422%0.22126%0.258CS..  trans-64.1139.6-179.227.7-35.7000110.8F43 I105F43-P103 HydrophobicContact CD1-CG 4.49Å; F43-P103 HydrophobicContact CE1-CG 4.04Å; P103-I105 HydrophobicContact CB-CD1 3.97Å; P103-I105 HydrophobicContact CB-CG1 4.14Å; P103-I105 HydrophobicContact CG-CD1 4.12Å; P103-I105 PolarHBondContact O-N 3.33Å
104I76.6Confident81.1Confident149 Ų14946.6 Ų46.676%0.76425%0.245SC*.  trans-78.459.3-178.5-45.1170.8000109.7Y109I104-Y109 HydrophobicContact CG2-CD1 4.3Å; I104-Y109 HydrophobicContact CG2-CG 4.29Å
105I77.5Confident81.7Confident83 Ų8347.1 Ų47.143%0.42625%0.25SS..  trans-103.8134175.2-58.8167.1000106.9P103 E107 V108 Y109P103-I105 HydrophobicContact CB-CD1 3.97Å; P103-I105 HydrophobicContact CB-CG1 4.14Å; P103-I105 HydrophobicContact CG-CD1 4.12Å; P103-I105 PolarHBondContact O-N 3.33Å; I105-E107 HydrophobicContact CG2-CB 4.29Å; I105-E107 HydrophobicContact CG2-CG 4.41Å; I105-E107 PolarHBondContact O-N 2.97Å; I105-V108 PolarHBondContact O-N 3.46Å; I105-Y109 PolarHBondContact O-N 3.28Å
106P73.5Confident82.1Confident111 Ų11150.2 Ų50.272%0.72127%0.272SS*.THydrogen-bonded Turntrans-54.1-23-177.4-27.234000115.6
107E73.9Confident82.2Confident143 Ų14355.6 Ų55.667%0.66830%0.3SS*.THydrogen-bonded Turntrans-73.3-34.7176.5-61.4-174.317300113I105 K110I105-E107 HydrophobicContact CG2-CB 4.29Å; I105-E107 HydrophobicContact CG2-CG 4.41Å; I105-E107 PolarHBondContact O-N 2.97Å; E107-K110 WeakPolarHBondContact O-CE 3.49Å
108V79.6Confident82.1Confident12 Ų1256 Ų567%0.07330%0.303CS..THydrogen-bonded Turntrans-101.3-47.6-175.9-178.20000110.4L58 L102 I105 I123 A124L58-V108 HydrophobicContact CD2-CG1 4.24Å; L58-V108 HydrophobicContact CD2-CG2 3.86Å; L102-V108 HydrophobicContact CB-CG1 4.01Å; L102-V108 HydrophobicContact CD1-CG1 4.07Å; L102-V108 HydrophobicContact CD2-CG1 4.09Å; L102-V108 HydrophobicContact CG-CG1 4.3Å; I105-V108 PolarHBondContact O-N 3.46Å; V108-I123 CarbonylContact O-C 3.59Å; V108-I123 WeakPolarHBondContact O-CA 3.35Å; V108-I123 WeakPolarHBondContact O-CB 3.44Å; V108-A124 PolarHBondContact O-N 2.9Å
109Y84Confident81.9Confident53 Ų5357.8 Ų57.821%0.20831%0.314CS..EExtended strand (participates in β ladder)trans-96.3109179.4-163.7-81.3000110.2I104 I105 N111 A124 R126 V237I104-Y109 HydrophobicContact CG2-CD1 4.3Å; I104-Y109 HydrophobicContact CG2-CG 4.29Å; I105-Y109 PolarHBondContact O-N 3.28Å; Y109-N111 WeakPolarHBondContact CE1-OD1 2.78Å; Y109-A124 WeakPolarHBondContact CA-O 3.49Å; Y109-A124 HydrophobicContact CD2-CB 3.64Å; Y109-A124 HydrophobicContact CE2-CB 4.16Å; Y109-A124 HydrophobicContact CG-CB 4.37Å; Y109-R126 HydrophobicContact CE1-CB 4.42Å; Y109-V237 HydrophobicContact CE2-CG1 4.17Å
110K82.8Confident81.8Confident37 Ų3759.4 Ų59.416%0.16133%0.331CS..EExtended strand (participates in β ladder)trans-117.2131.3-175.5-58.8-163.4179.8-156.90111.3E107 H112 D118 A124 R126E107-K110 WeakPolarHBondContact O-CE 3.49Å; K110-H112 WeakPolarHBondContact CB-O 3.42Å; K110-D118 IonicContact NZ-OD1 3.16Å; K110-D118 PolarHBondContact NZ-OD1 2.95Å; K110-D118 IonicContact NZ-OD2 2.84Å; K110-D118 PolarHBondContact NZ-OD2 3.01Å; K110-A124 PolarHBondContact N-O 3.43Å; K110-R126 PolarHBondContact O-N 3.24Å
111N80.2Confident82Confident62 Ų6263.5 Ų63.533%0.33235%0.348SS..SBendtrans-89.5-18.2168.1-62.2-17.3000111.9Y109Y109-N111 WeakPolarHBondContact CE1-OD1 2.78Å
112H83.1Confident82.5Confident130 Ų13061.7 Ų61.760%0.60233%0.333SS*.SBendtrans-102.7154.1176.5-58.6-62.4000111K110 L125 E204K110-H112 WeakPolarHBondContact CB-O 3.42Å; H112-L125 WeakPolarHBondContact O-CD1 3.44Å; H112-E204 IonicContact CG-OE2 2.91Å; H112-E204 IonicContact ND1-OE2 3.34Å; H112-E204 PolarHBondContact ND1-OE2 2.98Å
113I83.8Confident82.9Confident17 Ų1761 Ų619%0.08733%0.33CS..PPolyproline II helixtrans-66.5131.1180-78.3162.8000109.7E204 R216 M218I113-E204 HydrophobicContact CB-CG 4.22Å; I113-E204 WeakPolarHBondContact CB-OE1 3.2Å; I113-E204 HydrophobicContact CD1-CG 3.77Å; I113-E204 HydrophobicContact CG1-CG 3.63Å; I113-E204 VanDerWaalsContact N-CD 3.33Å; I113-E204 PolarHBondContact N-OE1 3.13Å; I113-R216 HydrophobicContact CB-CB 4.36Å; I113-R216 HydrophobicContact CD1-CB 3.59Å; I113-R216 WeakPolarHBondContact CD1-O 3.28Å; I113-M218 HydrophobicContact CD1-CB 4.11Å; I113-M218 HydrophobicContact CG1-CB 4.15Å; I113-M218 HydrophobicContact CG2-CB 4.01Å; I113-M218 HydrophobicContact CG2-CG 4.43Å; I113-M218 HydrophobicContact CG2-SD 4.22Å
114P82.6Confident83.6Confident6 Ų659.5 Ų59.54%0.03932%0.319CS..PPolyproline II helixtrans-61.3148.9-179.328.1-38.7000111.6D118 I123 M218 V242P114-D118 WeakPolarHBondContact CA-OD2 3.3Å; P114-D118 HydrophobicContact CB-CB 3.97Å; P114-D118 WeakPolarHBondContact CB-OD2 3.42Å; P114-I123 HydrophobicContact CB-CD1 3.79Å; P114-I123 HydrophobicContact CG-CD1 3.62Å; P114-M218 HydrophobicContact CG-CE 3.78Å; P114-M218 HydrophobicContact CG-SD 3.58Å; P114-M218 VanDerWaalsContact CG-SD 3.58Å; P114-V242 HydrophobicContact CB-CG2 4.02Å; P114-V242 HydrophobicContact CG-CG1 4.45Å; P114-V242 HydrophobicContact CG-CG2 3.94Å
115T83.1Confident84.2Confident59 Ų5952.4 Ų52.436%0.36228%0.283SS..  trans-101.1177176.762.80000110.3I117 D118T115-I117 PolarHBondContact O-N 3.12Å; T115-D118 PolarHBondContact N-OD2 2.96Å; T115-D118 PolarHBondContact O-N 2.94Å
116S84.7Confident84.8Confident70 Ų7050.9 Ų50.949%0.4927%0.272SS..G310 helixtrans-56.2-19.6178.4-53.30000114.2D118 T119 R244S116-D118 PolarHBondContact O-N 3.08Å; S116-T119 PolarHBondContact O-N 2.93Å; S116-T119 PolarHBondContact O-OG1 3.38Å; S116-R244 PolarHBondContact O-NH2 2.83Å
117I86.8Confident85.5Confident136 Ų13645.6 Ų45.670%0.69724%0.238SC*.G310 helixtrans-67.7-27.2178.2-56.3166.7000111.4T115 T119T115-I117 PolarHBondContact O-N 3.12Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 2.82Å
118D85.1Confident86.1Confident10 Ų1039 Ų395%0.05321%0.207CC..G310 helixtrans-90.34.2-175-55.4-52.6000113.2K110 P114 T115 S116 G120 K121 V242K110-D118 IonicContact NZ-OD1 3.16Å; K110-D118 PolarHBondContact NZ-OD1 2.95Å; K110-D118 IonicContact NZ-OD2 2.84Å; K110-D118 PolarHBondContact NZ-OD2 3.01Å; P114-D118 WeakPolarHBondContact CA-OD2 3.3Å; P114-D118 HydrophobicContact CB-CB 3.97Å; P114-D118 WeakPolarHBondContact CB-OD2 3.42Å; T115-D118 PolarHBondContact N-OD2 2.96Å; T115-D118 PolarHBondContact O-N 2.94Å; S116-D118 PolarHBondContact O-N 3.08Å; D118-G120 PolarHBondContact O-N 3.02Å; D118-K121 WeakPolarHBondContact O-CB 3.15Å; D118-K121 PolarHBondContact O-N 2.86Å; D118-K121 VanDerWaalsContact O-N 3.14Å; D118-V242 HydrophobicContact CB-CG2 4.39Å; D118-V242 WeakPolarHBondContact O-CB 3.22Å
119T87.5Confident86.6Confident43 Ų4338.4 Ų38.426%0.26420%0.204SC..THydrogen-bonded Turntrans-62132.4-178.5-510000110.5S116 I117 K121 R244S116-T119 PolarHBondContact O-N 2.93Å; S116-T119 PolarHBondContact O-OG1 3.38Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 2.82Å; T119-K121 VanDerWaalsContact C-N 3.3Å; T119-R244 HydrophobicContact CG2-CG 3.8Å; T119-R244 PolarHBondContact OG1-NE 2.86Å; T119-R244 PolarHBondContact OG1-NH2 2.93Å; T119-R244 VanDerWaalsContact OG1-NH2 3.1Å
120G87.3Confident86.7Confident34 Ų3436 Ų3635%0.35119%0.194SC..THydrogen-bonded Turntrans87.2-10.2-178.200000114.4P61 D118 V242P61-G120 WeakPolarHBondContact CD-O 3.29Å; P61-G120 WeakPolarHBondContact CG-O 3.45Å; D118-G120 PolarHBondContact O-N 3.02Å; G120-V242 PolarHBondContact N-O 3.3Å
121K88.5Confident86.9Confident91 Ų9136 Ų3640%0.39619%0.193SC..  trans-86.8152.4177.4-58.6-175.5-177.4-179.70111.4D118 T119 I123 V242D118-K121 WeakPolarHBondContact O-CB 3.15Å; D118-K121 PolarHBondContact O-N 2.86Å; D118-K121 VanDerWaalsContact O-N 3.14Å; T119-K121 VanDerWaalsContact C-N 3.3Å; K121-I123 HydrophobicContact CB-CG2 4.42Å; K121-V242 PolarHBondContact O-N 3.36Å
122F91.3Very high87.3Confident2 Ų234.4 Ų34.41%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-88.9121.1169.4-162.3-113.1000109.7I57 P61 L65 L99 L102 N239 G240 V241 N264I57-F122 HydrophobicContact CG2-CB 4.46Å; I57-F122 HydrophobicContact CG2-CD1 3.95Å; I57-F122 HydrophobicContact CG2-CE1 4.47Å; I57-F122 HydrophobicContact CG2-CG 4.26Å; P61-F122 HydrophobicContact CB-CB 4Å; P61-F122 HydrophobicContact CB-CD2 4.04Å; P61-F122 HydrophobicContact CB-CG 4.34Å; P61-F122 HydrophobicContact CG-CB 4.22Å; L65-F122 HydrophobicContact CD1-CE2 4.43Å; L99-F122 HydrophobicContact CB-CE1 4.25Å; L99-F122 HydrophobicContact CB-CZ 4.25Å; L99-F122 HydrophobicContact CD1-CE1 3.99Å; L99-F122 HydrophobicContact CD1-CZ 4.1Å; L102-F122 HydrophobicContact CD1-CD1 3.75Å; L102-F122 HydrophobicContact CD1-CE1 3.59Å; L102-F122 HydrophobicContact CD2-CD1 3.82Å; L102-F122 HydrophobicContact CD2-CE1 3.91Å; L102-F122 HydrophobicContact CG-CD1 4.35Å; L102-F122 HydrophobicContact CG-CE1 4.11Å; F122-N239 HydrophobicContact CE1-CB 4.37Å; F122-N239 HydrophobicContact CZ-CB 4.04Å; F122-G240 WeakPolarHBondContact CA-O 3.38Å; F122-G240 WeakPolarHBondContact CD2-O 3.29Å; F122-V241 HydrophobicContact CD2-CG2 3.81Å; F122-V241 HydrophobicContact CE2-CG2 4.38Å; F122-N264 HydrophobicContact CE2-CB 3.85Å; F122-N264 HydrophobicContact CZ-CB 4.03Å
123I91.4Very high87.5Confident0 Ų028.7 Ų28.70%016%0.162CC..EExtended strand (participates in β ladder)trans-127.7153.3-177.167.7166.3000111V108 P114 K121 L125 N239 G240 V242 L261V108-I123 CarbonylContact O-C 3.59Å; V108-I123 WeakPolarHBondContact O-CA 3.35Å; V108-I123 WeakPolarHBondContact O-CB 3.44Å; P114-I123 HydrophobicContact CB-CD1 3.79Å; P114-I123 HydrophobicContact CG-CD1 3.62Å; K121-I123 HydrophobicContact CB-CG2 4.42Å; I123-L125 HydrophobicContact CD1-CB 4.42Å; I123-N239 WeakPolarHBondContact O-CA 3.44Å; I123-G240 PolarHBondContact N-O 3.24Å; I123-G240 PolarHBondContact O-N 2.92Å; I123-V242 HydrophobicContact CD1-CG2 3.34Å; I123-V242 HydrophobicContact CG1-CG2 3.69Å; I123-V242 HydrophobicContact CG2-CG2 4.37Å; I123-L261 HydrophobicContact CD1-CD1 4.14Å; I123-L261 HydrophobicContact CG1-CD1 3.98Å
124A91.7Very high87.6Confident1 Ų130.3 Ų30.31%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-98.9116161.400000108.4L102 V108 Y109 K110 V237 I238 N239L102-A124 HydrophobicContact CB-CB 4.25Å; L102-A124 HydrophobicContact CD1-CB 3.75Å; V108-A124 PolarHBondContact O-N 2.9Å; Y109-A124 WeakPolarHBondContact CA-O 3.49Å; Y109-A124 HydrophobicContact CD2-CB 3.64Å; Y109-A124 HydrophobicContact CE2-CB 4.16Å; Y109-A124 HydrophobicContact CG-CB 4.37Å; K110-A124 PolarHBondContact N-O 3.43Å; A124-V237 HydrophobicContact CB-CG1 4.3Å; A124-I238 WeakPolarHBondContact CA-O 3.39Å; A124-N239 VanDerWaalsContact CB-OD1 3.29Å; A124-N239 WeakPolarHBondContact CB-OD1 3.48Å
125L90.8Very high87.9Confident0 Ų032.9 Ų32.90%019%0.189CC..EExtended strand (participates in β ladder)trans-106.3117.5176.1177.465.2000109.5H112 I123 A127 V202 M218 V237 I238 L261H112-L125 WeakPolarHBondContact O-CD1 3.44Å; I123-L125 HydrophobicContact CD1-CB 4.42Å; L125-A127 HydrophobicContact CD2-CB 4.32Å; L125-A127 HydrophobicContact CG-CB 4.12Å; L125-V202 HydrophobicContact CD2-CG2 4.17Å; L125-M218 HydrophobicContact CD2-SD 4.23Å; L125-V237 WeakPolarHBondContact O-CA 3.39Å; L125-I238 PolarHBondContact N-O 2.92Å; L125-I238 PolarHBondContact O-N 2.81Å; L125-L261 HydrophobicContact CB-CD2 4.15Å; L125-L261 HydrophobicContact CD2-CD2 3.99Å
126R88.5Confident88.1Confident52 Ų5233.1 Ų33.120%0.19619%0.186CC..EExtended strand (participates in β ladder)trans-84.8119.8168.6-175173178.4-169.1-2109.3Y109 K110 Q205 E235 V237Y109-R126 HydrophobicContact CE1-CB 4.42Å; K110-R126 PolarHBondContact O-N 3.24Å; R126-Q205 VanDerWaalsContact CZ-CD 3.49Å; R126-E235 IonicContact CZ-OE1 3.32Å; R126-E235 IonicContact NE-OE1 2.74Å; R126-E235 PolarHBondContact NE-OE1 2.82Å; R126-E235 IonicContact NH2-OE1 3.23Å; R126-E235 PolarHBondContact NH2-OE1 3.31Å; R126-V237 HydrophobicContact CB-CG2 4.29Å; R126-V237 HydrophobicContact CG-CG2 4.2Å
127A88.7Confident88.2Confident0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-151.7167.7-172.800000112.4L125 V202 H203 V236L125-A127 HydrophobicContact CD2-CB 4.32Å; L125-A127 HydrophobicContact CG-CB 4.12Å; A127-V202 HydrophobicContact CB-CB 3.73Å; A127-V202 HydrophobicContact CB-CG2 3.81Å; A127-H203 CarbonylContact C-O 3.56Å; A127-H203 VanDerWaalsContact CA-O 3.23Å; A127-H203 WeakPolarHBondContact CA-O 3.49Å; A127-H203 VanDerWaalsContact CB-O 3.24Å; A127-H203 WeakPolarHBondContact CB-O 3.06Å; A127-V236 PolarHBondContact N-O 3.09Å; A127-V236 WeakPolarHBondContact O-CG2 3.33Å; A127-V236 PolarHBondContact O-N 3.38Å
128I87.3Confident88.1Confident4 Ų429.2 Ų29.22%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-119129.9-179.6-61.2172.9000108.7S130 V202 H203 F206 D234 E235 L417I128-S130 PolarHBondContact O-N 3.28Å; I128-V202 CarbonylContact O-C 3.53Å; I128-V202 WeakPolarHBondContact O-CA 3.44Å; I128-H203 PolarHBondContact N-O 3.15Å; I128-H203 PolarHBondContact O-N 3.42Å; I128-F206 HydrophobicContact CB-CE2 4.48Å; I128-F206 HydrophobicContact CD1-CD2 3.08Å; I128-F206 HydrophobicContact CD1-CE2 3.09Å; I128-F206 HydrophobicContact CD1-CG 4.24Å; I128-F206 HydrophobicContact CD1-CZ 4.25Å; I128-F206 HydrophobicContact CG1-CE2 4.31Å; I128-F206 HydrophobicContact CG2-CE2 4.18Å; I128-D234 WeakPolarHBondContact CA-O 3.42Å; I128-E235 HydrophobicContact CG1-CB 4.29Å; I128-E235 HydrophobicContact CG1-CG 4.14Å; I128-L417 HydrophobicContact CG2-CD2 3.98Å
129V89.8Confident88.1Confident0 Ų036.5 Ų36.50%019%0.191CC..EExtended strand (participates in β ladder)trans-79119.9-172.9179.70000109.5V132 I200 V202 V230 G233 D234 V236V129-V132 HydrophobicContact CG1-CG2 3.7Å; V129-I200 HydrophobicContact CG1-CB 4.44Å; V129-I200 HydrophobicContact CG2-CD1 4.15Å; V129-V202 HydrophobicContact CG2-CG1 4Å; V129-V230 HydrophobicContact CB-CG1 3.83Å; V129-V230 HydrophobicContact CG1-CG1 3.96Å; V129-V230 HydrophobicContact CG2-CG1 3.28Å; V129-G233 PolarHBondContact O-N 3.49Å; V129-D234 PolarHBondContact N-O 3.29Å; V129-V236 HydrophobicContact CG2-CG1 4.12Å; V129-V236 HydrophobicContact CG2-CG2 3.58Å
130S86.2Confident87.7Confident1 Ų136.1 Ų36.11%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-92.7-48.5177.353.90000111.5I128 R201 H203 A412I128-S130 PolarHBondContact O-N 3.28Å; S130-R201 PolarHBondContact N-O 3.22Å; S130-R201 PolarHBondContact OG-O 2.64Å; S130-R201 VanDerWaalsContact OG-O 3.07Å; S130-H203 WeakPolarHBondContact CB-CE1 3.38Å; S130-H203 WeakPolarHBondContact CB-ND1 3.25Å; S130-H203 PolarHBondContact OG-CE1 3.33Å; S130-H203 VanDerWaalsContact OG-CE1 3.32Å; S130-H203 PolarHBondContact OG-NE2 2.58Å; S130-A412 PolarHBondContact O-N 2.87Å; S130-A412 VanDerWaalsContact O-N 3.14Å
131R87.2Confident87.4Confident37 Ų3736 Ų3614%0.1418%0.18CC..EExtended strand (participates in β ladder)trans-126.6139.3-176.7-52.8-178.9-170.8-177.9-1.6111.4I200 R201 I402 D404 L410 D411R131-I200 CarbonylContact O-C 3.59Å; R131-I200 WeakPolarHBondContact O-CA 3.38Å; R131-R201 HydrophobicContact CB-CB 3.91Å; R131-R201 HydrophobicContact CG-CB 4.29Å; R131-R201 PolarHBondContact N-O 3.28Å; R131-R201 VanDerWaalsContact NH1-NH1 3.2Å; R131-R201 PolarHBondContact O-N 2.93Å; R131-I402 VanDerWaalsContact CZ-CD1 3.46Å; R131-D404 IonicContact NH1-OD1 3.71Å; R131-L410 WeakPolarHBondContact CA-O 3.35Å; R131-D411 HydrophobicContact CG-CB 3.93Å; R131-D411 VanDerWaalsContact CG-OD1 3.27Å; R131-D411 WeakPolarHBondContact CG-OD1 3.23Å; R131-D411 IonicContact CZ-OD2 3.92Å; R131-D411 VanDerWaalsContact CZ-OD2 3.27Å; R131-D411 IonicContact NE-OD1 3.8Å; R131-D411 PolarHBondContact NE-OD1 3.06Å; R131-D411 IonicContact NE-OD2 3.95Å; R131-D411 PolarHBondContact NE-OD2 3.22Å; R131-D411 IonicContact NH2-OD2 3.66Å; R131-D411 PolarHBondContact NH2-OD2 2.92Å
132V88Confident87.2Confident30 Ų3032.1 Ų32.118%0.18216%0.164CC..EExtended strand (participates in β ladder)trans-117.1118.6171.3-179.20000107.7V129 I200 P232V129-V132 HydrophobicContact CG1-CG2 3.7Å; V132-I200 HydrophobicContact CG1-CG2 4.31Å; V132-I200 HydrophobicContact CG2-CG2 4.35Å; V132-P232 HydrophobicContact CG2-CB 4.45Å
133G87.1Confident86.8Confident9 Ų935.2 Ų35.29%0.09318%0.178CC..PPolyproline II helixtrans-74.6160.3175.100000112.3Q198 E199G133-Q198 WeakPolarHBondContact O-CG 3.44Å; G133-Q198 PolarHBondContact O-NE2 3.5Å; G133-E199 VanDerWaalsContact CA-O 3.29Å; G133-E199 WeakPolarHBondContact CA-O 3.17Å; G133-E199 PolarHBondContact N-O 2.69Å
134P87Confident86.6Confident52 Ų5236.6 Ų36.634%0.33818%0.183SC..PPolyproline II helixtrans-65.1150.9171.429.8-35.4000110.7Q136P134-Q136 PolarHBondContact O-N 3.36Å
135V88.3Confident86.4Confident60 Ų6040 Ų4036%0.36420%0.197SC..PPolyproline II helixtrans-69.6130.7172.4-178.50000109.2L227 E228V135-L227 HydrophobicContact CG1-CD1 4.05Å; V135-E228 HydrophobicContact CG2-CG 3.97Å
136Q87.3Confident86.2Confident64 Ų6440 Ų4030%0.29920%0.197SC..EExtended strand (participates in β ladder)trans-120152.8179.2-57.2-168.5-47.800110.4P134 Y197P134-Q136 PolarHBondContact O-N 3.36Å; Q136-Y197 HydrophobicContact CB-CD1 4.41Å; Q136-Y197 PolarHBondContact N-O 2.75Å; Q136-Y197 PolarHBondContact O-N 3.01Å
137V87.2Confident86.1Confident100 Ų10040.4 Ų40.461%0.60621%0.205SC*.EExtended strand (participates in β ladder)trans-107.6117.5173.7-175.80000108.5A194V137-A194 HydrophobicContact CG1-CB 3.57Å
138I84.8Confident85.8Confident23 Ų2347.7 Ų47.712%0.11824%0.236CC..EExtended strand (participates in β ladder)trans-106.1149.4179.359.5169.7000110.5S140 Y163 A194 K195 Y197I138-S140 PolarHBondContact O-N 3.45Å; I138-Y163 HydrophobicContact CD1-CD1 3.7Å; I138-Y163 HydrophobicContact CD1-CD2 3.71Å; I138-Y163 HydrophobicContact CD1-CE1 3.46Å; I138-Y163 VanDerWaalsContact CD1-CE1 3.46Å; I138-Y163 HydrophobicContact CD1-CE2 3.46Å; I138-Y163 VanDerWaalsContact CD1-CE2 3.46Å; I138-Y163 HydrophobicContact CD1-CG 3.79Å; I138-Y163 HydrophobicContact CG2-CD2 4.38Å; I138-A194 WeakPolarHBondContact O-CA 3.29Å; I138-K195 HydrophobicContact CD1-CB 4.31Å; I138-K195 HydrophobicContact CG1-CB 3.88Å; I138-K195 VanDerWaalsContact CG1-O 3.29Å; I138-K195 WeakPolarHBondContact CG1-O 3.24Å; I138-K195 PolarHBondContact N-O 3.4Å; I138-K195 PolarHBondContact O-N 3.45Å; I138-Y197 HydrophobicContact CD1-CD2 4.23Å; I138-Y197 HydrophobicContact CD1-CG 4.13Å; I138-Y197 HydrophobicContact CG2-CD1 4.21Å; I138-Y197 HydrophobicContact CG2-CG 4.26Å
139R83.8Confident85.6Confident164 Ų16448.9 Ų48.962%0.61925%0.245SC*.EExtended strand (participates in β ladder)trans-86.5105.6174.4-66.2178.4179.8170.40.3108.8V142 A157 L165R139-V142 HydrophobicContact CB-CG2 4.18Å; R139-A157 WeakPolarHBondContact O-CB 3.29Å; R139-L165 HydrophobicContact CB-CD1 3.85Å
140S79.6Confident85.3Confident34 Ų3451.3 Ų51.324%0.23827%0.27CS..EExtended strand (participates in β ladder)trans-78.6-41.4-179.7-179.50000112.2I138 Y156 A157 Y193I138-S140 PolarHBondContact O-N 3.45Å; S140-Y156 CarbonylContact O-C 3.55Å; S140-Y156 WeakPolarHBondContact O-CA 3.29Å; S140-A157 PolarHBondContact O-N 3.25Å; S140-Y193 PolarHBondContact N-O 3.35Å
141K81.9Confident85.2Confident32 Ų3255.7 Ų55.714%0.13929%0.287CS..EExtended strand (participates in β ladder)trans-134.5128.9-177.6-174.7-176.9-177.6174.10110.5S154 Y156 Y193K141-S154 WeakPolarHBondContact CE-OG 3.45Å; K141-Y156 HydrophobicContact CB-CD1 4.15Å; K141-Y156 HydrophobicContact CB-CE1 4.18Å; K141-Y156 HydrophobicContact CD-CD1 4.42Å; K141-Y156 HydrophobicContact CD-CE1 3.66Å; K141-Y156 WeakPolarHBondContact CE-OH 3.19Å; K141-Y156 HydrophobicContact CG-CD1 4.13Å; K141-Y156 HydrophobicContact CG-CE1 3.85Å; K141-Y156 PolarHBondContact NZ-OH 2.66Å; K141-Y193 HydrophobicContact CB-CD2 3.97Å; K141-Y193 HydrophobicContact CB-CG 4.42Å; K141-Y193 HydrophobicContact CD-CD2 3.73Å; K141-Y193 HydrophobicContact CD-CE2 4.02Å; K141-Y193 HydrophobicContact CG-CD2 4.25Å; K141-Y193 PolarHBondContact O-N 2.91Å
142V82.4Confident85.1Confident10 Ų1058 Ų586%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-123.3132.6175.4177.40000109.8R139 Y144 S154 V155 L165 C185R139-V142 HydrophobicContact CB-CG2 4.18Å; V142-Y144 HydrophobicContact CB-CE2 3.95Å; V142-Y144 HydrophobicContact CG1-CD2 4.1Å; V142-Y144 HydrophobicContact CG1-CE2 3.62Å; V142-S154 CarbonylContact O-C 3.54Å; V142-S154 WeakPolarHBondContact O-CA 3.39Å; V142-V155 PolarHBondContact N-O 2.96Å; V142-V155 PolarHBondContact O-N 3.1Å; V142-L165 HydrophobicContact CB-CD1 4.36Å; V142-L165 HydrophobicContact CB-CD2 4.4Å; V142-L165 HydrophobicContact CG2-CD1 3.46Å; V142-L165 VanDerWaalsContact CG2-CD1 3.46Å; V142-L165 HydrophobicContact CG2-CD2 4.18Å; V142-L165 HydrophobicContact CG2-CG 4.45Å; V142-C185 WeakPolarHBondContact CG1-SG 3.4Å
143Q84.7Confident85Confident66 Ų6657.6 Ų57.631%0.30830%0.301SS..EExtended strand (participates in β ladder)trans-89.6124.4174.3-63.5-173.64.500110.1V186Q143-V186 HydrophobicContact CB-CG2 4.26Å; Q143-V186 PolarHBondContact O-N 3.03Å
144Y85.5Confident84.8Confident29 Ų2959.4 Ų59.411%0.11431%0.312CS..EExtended strand (participates in β ladder)trans-108.4150.7172.7-71.4-92000109.5V142 T152 F153 V155 P167 K184 C185V142-Y144 HydrophobicContact CB-CE2 3.95Å; V142-Y144 HydrophobicContact CG1-CD2 4.1Å; V142-Y144 HydrophobicContact CG1-CE2 3.62Å; Y144-T152 CarbonylContact O-C 3.52Å; Y144-T152 VanDerWaalsContact O-CA 3.27Å; Y144-T152 WeakPolarHBondContact O-CA 3.49Å; Y144-F153 HydrophobicContact CD2-CE2 4.37Å; Y144-F153 HydrophobicContact CG-CE2 4.28Å; Y144-F153 HydrophobicContact CG-CZ 4.14Å; Y144-F153 PolarHBondContact N-O 2.86Å; Y144-F153 PolarHBondContact O-N 3.38Å; Y144-F153 VanDerWaalsContact O-O 3.1Å; Y144-V155 HydrophobicContact CD2-CB 3.97Å; Y144-V155 HydrophobicContact CD2-CG2 3.53Å; Y144-V155 HydrophobicContact CE2-CB 3.87Å; Y144-V155 HydrophobicContact CE2-CG2 3.8Å; Y144-P167 HydrophobicContact CD1-CB 4.28Å; Y144-P167 HydrophobicContact CE1-CB 4.02Å; Y144-P167 HydrophobicContact CE1-CG 4.23Å; Y144-P167 HydrophobicContact CE2-CB 4.35Å; Y144-K184 CarbonylContact C-O 3.51Å; Y144-K184 WeakPolarHBondContact CA-O 3.19Å; Y144-C185 HydrophobicContact CD1-CB 4.19Å; Y144-C185 HydrophobicContact CE1-CB 3.99Å
145Y87.5Confident84.7Confident74 Ų7457.9 Ų57.929%0.2930%0.302SS..EExtended strand (participates in β ladder)trans-126.8143.7171.972.3-79.9000110.6T147 Y151 K184 C185 V186Y145-T147 HydrophobicContact CE2-CG2 4.29Å; Y145-Y151 WeakPolarHBondContact CA-O 3.19Å; Y145-K184 HydrophobicContact CD1-CB 4.2Å; Y145-K184 WeakPolarHBondContact CD1-O 3.19Å; Y145-K184 HydrophobicContact CE1-CB 3.57Å; Y145-K184 HydrophobicContact CE2-CB 4.34Å; Y145-K184 PolarHBondContact N-O 3.16Å; Y145-K184 PolarHBondContact O-N 3.39Å; Y145-C185 WeakPolarHBondContact CE1-O 3.3Å; Y145-V186 HydrophobicContact CD1-CB 4.34Å; Y145-V186 HydrophobicContact CD1-CG2 3.56Å; Y145-V186 HydrophobicContact CE1-CG2 4.36Å; Y145-V186 HydrophobicContact CG-CG2 4.3Å
146C86.9Confident84.4Confident0 Ų061.3 Ų61.30%031%0.309CS..EExtended strand (participates in β ladder)trans-78.9127171.1173.40000110.3K148 C149 G150 Y151 C171 S180 L183C146-K148 VanDerWaalsContact C-N 3.28Å; C146-K148 PolarHBondContact O-N 3.3Å; C146-K148 PolarHBondContact SG-N 3.31Å; C146-C149 WeakPolarHBondContact CB-SG 3.44Å; C146-C149 PolarHBondContact SG-N 2.99Å; C146-C149 VanDerWaalsContact SG-N 3.45Å; C146-C149 PolarHBondContact SG-SG 2.83Å; C146-G150 WeakPolarHBondContact O-CA 3.38Å; C146-G150 PolarHBondContact O-N 2.81Å; C146-Y151 PolarHBondContact N-O 3.45Å; C146-C171 HydrophobicContact CB-CB 4.27Å; C146-C171 VanDerWaalsContact CB-SG 3.53Å; C146-S180 PolarHBondContact SG-OG 3Å; C146-L183 HydrophobicContact CB-CD2 3.97Å
147T86Confident84.1Confident60 Ų6059 Ų5937%0.36830%0.301SS..THydrogen-bonded Turntrans-66.4-25.9177.851.80000114Y145 N182 K184Y145-T147 HydrophobicContact CE2-CG2 4.29Å; T147-N182 PolarHBondContact N-O 2.99Å; T147-N182 WeakPolarHBondContact OG1-CB 3.22Å; T147-N182 PolarHBondContact OG1-O 3.41Å; T147-K184 HydrophobicContact CG2-CB 4.35Å; T147-K184 HydrophobicContact CG2-CD 3.72Å; T147-K184 HydrophobicContact CG2-CG 3.79Å
148K82.9Confident83.7Confident152 Ų15258 Ų5866%0.66129%0.292SS*.THydrogen-bonded Turntrans-88-45.5-177.8-62.5-159.9-169.9179.20113.5C146C146-K148 VanDerWaalsContact C-N 3.28Å; C146-K148 PolarHBondContact O-N 3.3Å; C146-K148 PolarHBondContact SG-N 3.31Å
149C84.1Confident83.5Confident29 Ų2958 Ų5820%0.19629%0.292CS..THydrogen-bonded Turntrans-104.5-6.9-175.667.20000113.9C146 Y151 C171 C178C146-C149 WeakPolarHBondContact CB-SG 3.44Å; C146-C149 PolarHBondContact SG-N 2.99Å; C146-C149 VanDerWaalsContact SG-N 3.45Å; C146-C149 PolarHBondContact SG-SG 2.83Å; C149-Y151 PolarHBondContact O-N 3.22Å; C149-Y151 WeakPolarHBondContact SG-CB 3.45Å; C149-C171 VanDerWaalsContact SG-SG 3.63Å; C149-C178 HydrophobicContact CB-CB 4.19Å
150G83Confident83.3Confident51 Ų5154.4 Ų54.453%0.52628%0.282SS..  trans71.14.9-177.500000114.3C146 T152C146-G150 WeakPolarHBondContact O-CA 3.38Å; C146-G150 PolarHBondContact O-N 2.81Å; G150-T152 PolarHBondContact O-N 3.38Å
151Y84.7Confident83.3Confident94 Ų9453.7 Ų53.737%0.36928%0.275SS..  trans-69.3119.5-176.8-174.6-105.5000111.2Y145 C146 C149 F153 P172 N173Y145-Y151 WeakPolarHBondContact CA-O 3.19Å; C146-Y151 PolarHBondContact N-O 3.45Å; C149-Y151 PolarHBondContact O-N 3.22Å; C149-Y151 WeakPolarHBondContact SG-CB 3.45Å; Y151-F153 HydrophobicContact CD1-CB 4.28Å; Y151-F153 HydrophobicContact CD1-CD1 4.11Å; Y151-F153 HydrophobicContact CE1-CB 3.85Å; Y151-F153 HydrophobicContact CE1-CD1 4.46Å; Y151-P172 HydrophobicContact CD1-CG 4.38Å; Y151-P172 HydrophobicContact CE1-CG 4.08Å; Y151-N173 HydrophobicContact CD1-CB 3.86Å; Y151-N173 HydrophobicContact CD2-CB 4.24Å; Y151-N173 HydrophobicContact CE1-CB 4.46Å; Y151-N173 HydrophobicContact CG-CB 3.73Å
152T84.5Confident83Confident84 Ų8455.2 Ų55.252%0.51528%0.282SS..EExtended strand (participates in β ladder)trans-89.6130174.5520000110.4Y144 G150Y144-T152 CarbonylContact O-C 3.52Å; Y144-T152 VanDerWaalsContact O-CA 3.27Å; Y144-T152 WeakPolarHBondContact O-CA 3.49Å; G150-T152 PolarHBondContact O-N 3.38Å
153F86.1Confident82.7Confident23 Ų2356.3 Ų56.310%0.10129%0.285CS..EExtended strand (participates in β ladder)trans-138.4149.2174.362.7-81.2000110Y144 Y151 V155 P168 P172 L183Y144-F153 HydrophobicContact CD2-CE2 4.37Å; Y144-F153 HydrophobicContact CG-CE2 4.28Å; Y144-F153 HydrophobicContact CG-CZ 4.14Å; Y144-F153 PolarHBondContact N-O 2.86Å; Y144-F153 PolarHBondContact O-N 3.38Å; Y144-F153 VanDerWaalsContact O-O 3.1Å; Y151-F153 HydrophobicContact CD1-CB 4.28Å; Y151-F153 HydrophobicContact CD1-CD1 4.11Å; Y151-F153 HydrophobicContact CE1-CB 3.85Å; Y151-F153 HydrophobicContact CE1-CD1 4.46Å; F153-V155 HydrophobicContact CD2-CG2 3.9Å; F153-V155 HydrophobicContact CE2-CG2 3.57Å; F153-P168 HydrophobicContact CE2-CG 3.72Å; F153-P168 HydrophobicContact CZ-CG 4.09Å; F153-P172 HydrophobicContact CB-CG 4.15Å; F153-P172 HydrophobicContact CD1-CG 3.9Å; F153-P172 HydrophobicContact CD2-CG 4.1Å; F153-P172 HydrophobicContact CE1-CG 4.39Å; F153-P172 HydrophobicContact CG-CG 3.76Å; F153-L183 HydrophobicContact CE1-CD1 4.36Å; F153-L183 HydrophobicContact CE1-CD2 3.86Å; F153-L183 HydrophobicContact CZ-CB 4.44Å; F153-L183 HydrophobicContact CZ-CD1 3.77Å; F153-L183 HydrophobicContact CZ-CD2 4.1Å; F153-L183 HydrophobicContact CZ-CG 4.31Å
154S83.2Confident82.4Confident47 Ų4754.9 Ų54.933%0.32929%0.285SS..EExtended strand (participates in β ladder)trans-97.2134.6176.655.60000111.5K141 V142K141-S154 WeakPolarHBondContact CE-OG 3.45Å; V142-S154 CarbonylContact O-C 3.54Å; V142-S154 WeakPolarHBondContact O-CA 3.39Å
155V84.1Confident82Confident19 Ų1955.6 Ų55.612%0.11529%0.29CS..EExtended strand (participates in β ladder)trans-106.6131170.6179.50000108V142 Y144 F153 L165V142-V155 PolarHBondContact N-O 2.96Å; V142-V155 PolarHBondContact O-N 3.1Å; Y144-V155 HydrophobicContact CD2-CB 3.97Å; Y144-V155 HydrophobicContact CD2-CG2 3.53Å; Y144-V155 HydrophobicContact CE2-CB 3.87Å; Y144-V155 HydrophobicContact CE2-CG2 3.8Å; F153-V155 HydrophobicContact CD2-CG2 3.9Å; F153-V155 HydrophobicContact CE2-CG2 3.57Å; V155-L165 HydrophobicContact CG1-CD2 4.32Å
156Y82.5Confident81.5Confident133 Ų13357.4 Ų57.452%0.52230%0.3SS..EExtended strand (participates in β ladder)trans-93.3147.9174.6-63.8-83.6000109.7S140 K141S140-Y156 CarbonylContact O-C 3.55Å; S140-Y156 WeakPolarHBondContact O-CA 3.29Å; K141-Y156 HydrophobicContact CB-CD1 4.15Å; K141-Y156 HydrophobicContact CB-CE1 4.18Å; K141-Y156 HydrophobicContact CD-CD1 4.42Å; K141-Y156 HydrophobicContact CD-CE1 3.66Å; K141-Y156 WeakPolarHBondContact CE-OH 3.19Å; K141-Y156 HydrophobicContact CG-CD1 4.13Å; K141-Y156 HydrophobicContact CG-CE1 3.85Å; K141-Y156 PolarHBondContact NZ-OH 2.66Å
157A80.6Confident81.3Confident16 Ų1660.1 Ų60.113%0.13232%0.317CS..PPolyproline II helixtrans-78.4131.6176.600000111R139 S140 Y163 L165R139-A157 WeakPolarHBondContact O-CB 3.29Å; S140-A157 PolarHBondContact O-N 3.25Å; A157-Y163 HydrophobicContact CB-CD1 3.98Å; A157-L165 HydrophobicContact CB-CD2 3.82Å; A157-L165 HydrophobicContact CB-CG 4.07Å
158D79.8Confident81.1Confident79 Ų7959.9 Ų59.942%0.42232%0.317SS..BIsolated β-bridgetrans-80.6120.9177.7-65.7-22.9000110.5E160 N161 Y163D158-E160 VanDerWaalsContact C-N 3.31Å; D158-E160 PolarHBondContact O-N 2.93Å; D158-N161 HydrophobicContact CB-CB 4.14Å; D158-N161 PolarHBondContact O-N 3.49Å; D158-N161 PolarHBondContact OD2-ND2 3.25Å; D158-Y163 WeakPolarHBondContact O-CA 3.44Å; D158-Y163 PolarHBondContact O-N 2.77Å
159F79.6Confident81.1Confident23 Ų2362.6 Ų62.610%0.10132%0.323CS..THydrogen-bonded Turntrans-59.9-40.3178.3-178.7-88.6000112.7N161 F162 Y163 C221 T243 R245 K262F159-N161 VanDerWaalsContact C-N 3.29Å; F159-N161 PolarHBondContact O-N 3.16Å; F159-F162 PolarHBondContact O-N 2.97Å; F159-Y163 HydrophobicContact CB-CE1 4.43Å; F159-Y163 AromaticContact CD2-CE1 3.91Å; F159-Y163 HydrophobicContact CD2-CE1 3.91Å; F159-Y163 HydrophobicContact CD2-CE2 4.15Å; F159-Y163 AromaticContact CD2-CZ 3.48Å; F159-Y163 VanDerWaalsContact CD2-CZ 3.48Å; F159-Y163 WeakPolarHBondContact CD2-OH 3.47Å; F159-Y163 HydrophobicContact CE2-CE2 4.41Å; F159-Y163 AromaticContact CE2-CZ 3.98Å; F159-Y163 WeakPolarHBondContact CE2-OH 3.17Å; F159-C221 HydrophobicContact CE2-CB 3.86Å; F159-C221 HydrophobicContact CZ-CB 3.78Å; F159-C221 VanDerWaalsContact CZ-SG 3.55Å; F159-T243 VanDerWaalsContact CE1-OG1 3.24Å; F159-T243 WeakPolarHBondContact CE1-OG1 3.21Å; F159-R245 HydrophobicContact CE1-CG 4.27Å; F159-R245 VanDerWaalsContact CZ-NH2 3.29Å; F159-R245 PolarHBondContact O-NE 3.42Å; F159-K262 HydrophobicContact CD2-CD 4.31Å; F159-K262 HydrophobicContact CE2-CB 4.5Å; F159-K262 HydrophobicContact CE2-CD 4.16Å; F159-K262 HydrophobicContact CE2-CG 4.19Å; F159-K262 HydrophobicContact CZ-CB 4.11Å; F159-K262 HydrophobicContact CZ-CD 4.47Å; F159-K262 HydrophobicContact CZ-CG 4.3Å
160E80.3Confident81.1Confident87 Ų8767.5 Ų67.541%0.40734%0.338SS..THydrogen-bonded Turntrans-67.6-29.4-176.1-58.9-176.8129.400112.6D158 F162 R244 R245 W246D158-E160 VanDerWaalsContact C-N 3.31Å; D158-E160 PolarHBondContact O-N 2.93Å; E160-F162 VanDerWaalsContact C-N 3.34Å; E160-F162 PolarHBondContact O-N 3.37Å; E160-R244 WeakPolarHBondContact CG-O 3.46Å; E160-R245 VanDerWaalsContact O-CA 3.29Å; E160-R245 WeakPolarHBondContact O-CA 3.47Å; E160-W246 HydrophobicContact CB-CE3 4.14Å; E160-W246 HydrophobicContact CB-CH2 3.57Å; E160-W246 HydrophobicContact CB-CZ2 3.95Å; E160-W246 HydrophobicContact CB-CZ3 3.63Å; E160-W246 HydrophobicContact CG-CH2 4.05Å; E160-W246 HydrophobicContact CG-CZ3 4.04Å; E160-W246 PolarHBondContact O-N 2.89Å; E160-W246 VanDerWaalsContact O-N 3.09Å; E160-W246 WeakPolarHBondContact OE2-CH2 3.38Å
161N79.2Confident81.1Confident20 Ų2065.7 Ų65.711%0.10732%0.317CS..THydrogen-bonded Turntrans-9532.5177.7-70-53.5000112.4D158 F159 Y163 A164 W246D158-N161 HydrophobicContact CB-CB 4.14Å; D158-N161 PolarHBondContact O-N 3.49Å; D158-N161 PolarHBondContact OD2-ND2 3.25Å; F159-N161 VanDerWaalsContact C-N 3.29Å; F159-N161 PolarHBondContact O-N 3.16Å; N161-Y163 VanDerWaalsContact C-N 3.28Å; N161-Y163 PolarHBondContact O-N 3.29Å; N161-A164 HydrophobicContact CB-CB 4.02Å; N161-A164 WeakPolarHBondContact O-CB 3.34Å; N161-A164 PolarHBondContact O-N 3.39Å; N161-W246 PolarHBondContact OD1-NE1 3.11Å
162F75.3Confident81Confident63 Ų6364.1 Ų64.128%0.27632%0.319SS..THydrogen-bonded Turntrans5441.2-177.8-65-94.5000113.3F159 E160 A164 R245 R247F159-F162 PolarHBondContact O-N 2.97Å; E160-F162 VanDerWaalsContact C-N 3.34Å; E160-F162 PolarHBondContact O-N 3.37Å; F162-A164 PolarHBondContact O-N 3.41Å; F162-R245 HydrophobicContact CE2-CB 3.97Å; F162-R245 HydrophobicContact CZ-CB 3.99Å; F162-R247 HydrophobicContact CD2-CG 3.98Å; F162-R247 HydrophobicContact CE2-CG 3.42Å; F162-R247 VanDerWaalsContact CE2-CG 3.42Å; F162-R247 HydrophobicContact CZ-CG 4.08Å
163Y76.9Confident80.8Confident33 Ų3360.9 Ų60.913%0.12930%0.298CS..THydrogen-bonded Turntrans57.929.7-176-58.6-76.9000114.3I138 A157 D158 F159 N161 L165 Y197 E223I138-Y163 HydrophobicContact CD1-CD1 3.7Å; I138-Y163 HydrophobicContact CD1-CD2 3.71Å; I138-Y163 HydrophobicContact CD1-CE1 3.46Å; I138-Y163 VanDerWaalsContact CD1-CE1 3.46Å; I138-Y163 HydrophobicContact CD1-CE2 3.46Å; I138-Y163 VanDerWaalsContact CD1-CE2 3.46Å; I138-Y163 HydrophobicContact CD1-CG 3.79Å; I138-Y163 HydrophobicContact CG2-CD2 4.38Å; A157-Y163 HydrophobicContact CB-CD1 3.98Å; D158-Y163 WeakPolarHBondContact O-CA 3.44Å; D158-Y163 PolarHBondContact O-N 2.77Å; F159-Y163 HydrophobicContact CB-CE1 4.43Å; F159-Y163 AromaticContact CD2-CE1 3.91Å; F159-Y163 HydrophobicContact CD2-CE1 3.91Å; F159-Y163 HydrophobicContact CD2-CE2 4.15Å; F159-Y163 AromaticContact CD2-CZ 3.48Å; F159-Y163 VanDerWaalsContact CD2-CZ 3.48Å; F159-Y163 WeakPolarHBondContact CD2-OH 3.47Å; F159-Y163 HydrophobicContact CE2-CE2 4.41Å; F159-Y163 AromaticContact CE2-CZ 3.98Å; F159-Y163 WeakPolarHBondContact CE2-OH 3.17Å; N161-Y163 VanDerWaalsContact C-N 3.28Å; N161-Y163 PolarHBondContact O-N 3.29Å; Y163-L165 PolarHBondContact O-N 2.73Å; Y163-Y197 AromaticContact CE2-CD2 3.88Å; Y163-Y197 HydrophobicContact CE2-CD2 3.88Å; Y163-Y197 AromaticContact CE2-CE2 3.65Å; Y163-Y197 HydrophobicContact CE2-CE2 3.65Å; Y163-Y197 HydrophobicContact CE2-CG 4.42Å; Y163-E223 PolarHBondContact OH-OE1 3.14Å
164A77.6Confident80.1Confident36 Ų3671.5 Ų71.530%0.29834%0.338SS..BIsolated β-bridgetrans-65.6122172.800000110.6N161 F162 K166N161-A164 HydrophobicContact CB-CB 4.02Å; N161-A164 WeakPolarHBondContact O-CB 3.34Å; N161-A164 PolarHBondContact O-N 3.39Å; F162-A164 PolarHBondContact O-N 3.41Å; A164-K166 PolarHBondContact O-N 3.17Å
165L76.6Confident79.4Confident44 Ų4477.8 Ų77.823%0.2336%0.362CS..  trans-87104.9172.9-71.6156.9000109.3R139 V142 V155 A157 Y163R139-L165 HydrophobicContact CB-CD1 3.85Å; V142-L165 HydrophobicContact CB-CD1 4.36Å; V142-L165 HydrophobicContact CB-CD2 4.4Å; V142-L165 HydrophobicContact CG2-CD1 3.46Å; V142-L165 VanDerWaalsContact CG2-CD1 3.46Å; V142-L165 HydrophobicContact CG2-CD2 4.18Å; V142-L165 HydrophobicContact CG2-CG 4.45Å; V155-L165 HydrophobicContact CG1-CD2 4.32Å; A157-L165 HydrophobicContact CB-CD2 3.82Å; A157-L165 HydrophobicContact CB-CG 4.07Å; Y163-L165 PolarHBondContact O-N 2.73Å
166K78.3Confident78.5Confident112 Ų11283.7 Ų83.749%0.48739%0.386SS..  trans-106.1105.9175.6-68.4177.8-175.1167.30109.8A164 C248A164-K166 PolarHBondContact O-N 3.17Å; K166-C248 PolarHBondContact NZ-SG 2.9Å
167P81.4Confident78Confident58 Ų5883 Ų8338%0.37740%0.401SS..  trans-65148.2173.427.6-33.2000110.4Y144Y144-P167 HydrophobicContact CD1-CB 4.28Å; Y144-P167 HydrophobicContact CE1-CB 4.02Å; Y144-P167 HydrophobicContact CE1-CG 4.23Å; Y144-P167 HydrophobicContact CE2-CB 4.35Å
168P82.4Confident77.7Confident55 Ų5583.1 Ų83.136%0.35740%0.4SS..  trans-61.1147.1174.926.9-33.6000110.4F153 Y170 L183F153-P168 HydrophobicContact CE2-CG 3.72Å; F153-P168 HydrophobicContact CZ-CG 4.09Å; P168-Y170 PolarHBondContact O-N 2.65Å; P168-L183 HydrophobicContact CG-CD1 4.13Å; P168-L183 WeakPolarHBondContact O-CD1 3.04Å
169R82.7Confident77.5Confident208 Ų20886 Ų8679%0.78542%0.416SS*.SBendtrans-65.1-24-179.3-69-173.9179.6-172.60.6113.6
170Y84.7Confident77.5Confident132 Ų13285 Ų8552%0.51841%0.411SS..SBendtrans-128.4154.5-178.2-55.7-75000110.1P168 M181P168-Y170 PolarHBondContact O-N 2.65Å; Y170-M181 HydrophobicContact CD1-CG 4.11Å; Y170-M181 HydrophobicContact CE1-CG 4Å; Y170-M181 HydrophobicContact CE1-SD 4.47Å
171C82.9Confident77.5Confident13 Ų1387 Ų879%0.08842%0.423CS..  trans-63.9129.6175.8-175.30000110.7C146 C149 N173 C178 S180 L183C146-C171 HydrophobicContact CB-CB 4.27Å; C146-C171 VanDerWaalsContact CB-SG 3.53Å; C149-C171 VanDerWaalsContact SG-SG 3.63Å; C171-N173 PolarHBondContact O-N 2.9Å; C171-N173 VanDerWaalsContact SG-CB 3.57Å; C171-C178 WeakPolarHBondContact CB-O 3.31Å; C171-S180 PolarHBondContact N-O 3.26Å; C171-L183 HydrophobicContact CB-CD2 4.08Å
172P82.2Confident77.6Confident62 Ų6291 Ų9140%0.40344%0.443SS..  trans-76.53.7178.830.3-35.1000113.9Y151 F153 R174Y151-P172 HydrophobicContact CD1-CG 4.38Å; Y151-P172 HydrophobicContact CE1-CG 4.08Å; F153-P172 HydrophobicContact CB-CG 4.15Å; F153-P172 HydrophobicContact CD1-CG 3.9Å; F153-P172 HydrophobicContact CD2-CG 4.1Å; F153-P172 HydrophobicContact CE1-CG 4.39Å; F153-P172 HydrophobicContact CG-CG 3.76Å; P172-R174 PolarHBondContact O-N 3.05Å; P172-R174 VanDerWaalsContact O-N 3.13Å
173N80.6Confident77.9Confident15 Ų1589.4 Ų89.48%0.0844%0.438CS..  trans-69.2111-176.7-171.80.5000111.1Y151 C171 Q175 K176Y151-N173 HydrophobicContact CD1-CB 3.86Å; Y151-N173 HydrophobicContact CD2-CB 4.24Å; Y151-N173 HydrophobicContact CE1-CB 4.46Å; Y151-N173 HydrophobicContact CG-CB 3.73Å; C171-N173 PolarHBondContact O-N 2.9Å; C171-N173 VanDerWaalsContact SG-CB 3.57Å; N173-Q175 WeakPolarHBondContact OD1-CB 3.42Å; N173-Q175 PolarHBondContact OD1-N 3.38Å; N173-K176 VanDerWaalsContact O-O 3.13Å
174R71.4Confident78.2Confident247 Ų24793.6 Ų93.693%0.93246%0.457SS*.THydrogen-bonded Turntrans-84.1-19.2176.2-64.9-174.3-179.2-172.90113.8P172P172-R174 PolarHBondContact O-N 3.05Å; P172-R174 VanDerWaalsContact O-N 3.13Å
175Q69.2Low78.3Confident178 Ų17894.3 Ų94.383%0.83246%0.459SS*.THydrogen-bonded Turntrans-76.7-36-173.7-66.9179.8-10.100112.9N173N173-Q175 WeakPolarHBondContact OD1-CB 3.42Å; N173-Q175 PolarHBondContact OD1-N 3.38Å
176K64.3Low78.4Confident144 Ų14494.3 Ų94.363%0.62646%0.461SS*.THydrogen-bonded Turntrans-118.7113.2169.4-67.8179.5179.6177.30105.1N173 C178N173-K176 VanDerWaalsContact O-O 3.13Å; K176-C178 VanDerWaalsContact O-CB 3.28Å; K176-C178 WeakPolarHBondContact O-CB 3.49Å; K176-C178 PolarHBondContact O-N 2.79Å
177S71.8Confident77.7Confident118 Ų11893.4 Ų93.483%0.82547%0.469SS*.THydrogen-bonded Turntrans-5781-179.546.20000111.5
178C73.7Confident76.5Confident18 Ų1896.1 Ų96.112%0.12249%0.489CS..  trans-110.996.8-168-168.40000109.3C149 C171 K176 S180C149-C178 HydrophobicContact CB-CB 4.19Å; C171-C178 WeakPolarHBondContact CB-O 3.31Å; K176-C178 VanDerWaalsContact O-CB 3.28Å; K176-C178 WeakPolarHBondContact O-CB 3.49Å; K176-C178 PolarHBondContact O-N 2.79Å; C178-S180 PolarHBondContact O-N 2.89Å; C178-S180 VanDerWaalsContact O-N 3.14Å
179N76.9Confident75.1Confident140 Ų140101.3 Ų101.375%0.74951%0.514SS*.  trans-86.633.3177.7-63.9-9.3000112.1
180S79.3Confident73.6Confident2 Ų293.1 Ų93.11%0.01449%0.488CS..  trans-74.5136.5-178.467.90000111.6C146 C171 C178C146-S180 PolarHBondContact SG-OG 3Å; C171-S180 PolarHBondContact N-O 3.26Å; C178-S180 PolarHBondContact O-N 2.89Å; C178-S180 VanDerWaalsContact O-N 3.14Å
181M80.5Confident72.2Confident130 Ų13092.2 Ų92.264%0.6449%0.489SS*.  trans-89.7-8.1173.7-60.617373.700113.1Y170 L183Y170-M181 HydrophobicContact CD1-CG 4.11Å; Y170-M181 HydrophobicContact CE1-CG 4Å; Y170-M181 HydrophobicContact CE1-SD 4.47Å; M181-L183 PolarHBondContact O-N 2.97Å; M181-L183 VanDerWaalsContact O-N 3.13Å
182N81Confident70.9Confident102 Ų10297.9 Ų97.955%0.54551%0.512SS..  trans-90.678.6-173.3-67.9-12.7000111.4T147T147-N182 PolarHBondContact N-O 2.99Å; T147-N182 WeakPolarHBondContact OG1-CB 3.22Å; T147-N182 PolarHBondContact OG1-O 3.41Å
183L82.2Confident70.1Confident30 Ų3096.7 Ų96.716%0.15750%0.5CS..EExtended strand (participates in β ladder)trans-95.5124.1174.5-54.7175.4000108.8C146 F153 P168 C171 M181C146-L183 HydrophobicContact CB-CD2 3.97Å; F153-L183 HydrophobicContact CE1-CD1 4.36Å; F153-L183 HydrophobicContact CE1-CD2 3.86Å; F153-L183 HydrophobicContact CZ-CB 4.44Å; F153-L183 HydrophobicContact CZ-CD1 3.77Å; F153-L183 HydrophobicContact CZ-CD2 4.1Å; F153-L183 HydrophobicContact CZ-CG 4.31Å; P168-L183 HydrophobicContact CG-CD1 4.13Å; P168-L183 WeakPolarHBondContact O-CD1 3.04Å; C171-L183 HydrophobicContact CB-CD2 4.08Å; M181-L183 PolarHBondContact O-N 2.97Å; M181-L183 VanDerWaalsContact O-N 3.13Å
184K83.4Confident69.9Low121 Ų12198.1 Ų98.153%0.52651%0.514SS..EExtended strand (participates in β ladder)trans-110.7142.8176.5-72.8-171.9177.9-174.30109.4Y144 Y145 T147Y144-K184 CarbonylContact C-O 3.51Å; Y144-K184 WeakPolarHBondContact CA-O 3.19Å; Y145-K184 HydrophobicContact CD1-CB 4.2Å; Y145-K184 WeakPolarHBondContact CD1-O 3.19Å; Y145-K184 HydrophobicContact CE1-CB 3.57Å; Y145-K184 HydrophobicContact CE2-CB 4.34Å; Y145-K184 PolarHBondContact N-O 3.16Å; Y145-K184 PolarHBondContact O-N 3.39Å; T147-K184 HydrophobicContact CG2-CB 4.35Å; T147-K184 HydrophobicContact CG2-CD 3.72Å; T147-K184 HydrophobicContact CG2-CG 3.79Å
185C79.1Confident70.2Confident51 Ų5188 Ų8835%0.34548%0.477SS..EExtended strand (participates in β ladder)trans-68.2137.1168.2-174.70000108.2V142 Y144 Y145 S187V142-C185 WeakPolarHBondContact CG1-SG 3.4Å; Y144-C185 HydrophobicContact CD1-CB 4.19Å; Y144-C185 HydrophobicContact CE1-CB 3.99Å; Y145-C185 WeakPolarHBondContact CE1-O 3.3Å; C185-S187 PolarHBondContact O-N 2.96Å; C185-S187 VanDerWaalsContact O-N 3.08Å
186V79.2Confident71.1Confident44 Ų4482.4 Ų82.427%0.26745%0.452SS..  trans-65.3110.7167.8-173.60000106.3Q143 Y145 S190Q143-V186 HydrophobicContact CB-CG2 4.26Å; Q143-V186 PolarHBondContact O-N 3.03Å; Y145-V186 HydrophobicContact CD1-CB 4.34Å; Y145-V186 HydrophobicContact CD1-CG2 3.56Å; Y145-V186 HydrophobicContact CE1-CG2 4.36Å; Y145-V186 HydrophobicContact CG-CG2 4.3Å; V186-S190 WeakPolarHBondContact CG1-OG 3.38Å; V186-S190 PolarHBondContact O-OG 3.25Å
187S62.6Low72.3Confident94 Ų9475.8 Ų75.866%0.65742%0.423SS*.  trans-105.1137.3-171.648.60000112.5C185C185-S187 PolarHBondContact O-N 2.96Å; C185-S187 VanDerWaalsContact O-N 3.08Å
188S56.8Low73.1Confident115 Ų11570.6 Ų70.680%0.80439%0.386SS*.SBendtrans95.4-52.1168.466.80000120.2
189N53.1Low73.9Confident164 Ų16471.8 Ų71.888%0.87739%0.39SS*.SBendtrans-117.93.2-174.5-80.6-5.6000116.3
190S51.4Low74.7Confident35 Ų3565.3 Ų65.325%0.24536%0.355CS..SBendtrans-90.4133.6-179.156.30000111.7V186 F192V186-S190 WeakPolarHBondContact CG1-OG 3.38Å; V186-S190 PolarHBondContact O-OG 3.25Å; S190-F192 PolarHBondContact O-N 2.92Å
191Q54.5Low75.2Confident114 Ų11468.3 Ų68.353%0.53337%0.366SS..  trans-43.694.5175.3-65.5173.5-8.600111.8Y193Q191-Y193 HydrophobicContact CB-CE2 4.42Å; Q191-Y193 PolarHBondContact OE1-OH 3.38Å
192F56.6Low75.8Confident131 Ų13162.1 Ų62.158%0.57534%0.336SS*.  trans-79.6131.916055.5-91.2000106.6S190 A194S190-F192 PolarHBondContact O-N 2.92Å; F192-A194 HydrophobicContact CD2-CB 3.99Å; F192-A194 HydrophobicContact CE2-CB 4.01Å; F192-A194 PolarHBondContact O-N 3.02Å; F192-A194 VanDerWaalsContact O-N 3.16Å
193Y65.4Low76.1Confident38 Ų3859.1 Ų59.115%0.14932%0.318CS..EExtended strand (participates in β ladder)trans-84.998.1173.9-64.3-91.2000106.5S140 K141 Q191S140-Y193 PolarHBondContact N-O 3.35Å; K141-Y193 HydrophobicContact CB-CD2 3.97Å; K141-Y193 HydrophobicContact CB-CG 4.42Å; K141-Y193 HydrophobicContact CD-CD2 3.73Å; K141-Y193 HydrophobicContact CD-CE2 4.02Å; K141-Y193 HydrophobicContact CG-CD2 4.25Å; K141-Y193 PolarHBondContact O-N 2.91Å; Q191-Y193 HydrophobicContact CB-CE2 4.42Å; Q191-Y193 PolarHBondContact OE1-OH 3.38Å
194A74.6Confident76.2Confident45 Ų4559.3 Ų59.337%0.37232%0.318SS..EExtended strand (participates in β ladder)trans-77.2134169.700000108.6V137 I138 F192V137-A194 HydrophobicContact CG1-CB 3.57Å; I138-A194 WeakPolarHBondContact O-CA 3.29Å; F192-A194 HydrophobicContact CD2-CB 3.99Å; F192-A194 HydrophobicContact CE2-CB 4.01Å; F192-A194 PolarHBondContact O-N 3.02Å; F192-A194 VanDerWaalsContact O-N 3.16Å
195K78.8Confident75.7Confident35 Ų3554.9 Ų54.915%0.15230%0.3CS..EExtended strand (participates in β ladder)trans-117.6135.8174.5-163.8-178.9-170.5-178.20108.1I138 E223 D224I138-K195 HydrophobicContact CD1-CB 4.31Å; I138-K195 HydrophobicContact CG1-CB 3.88Å; I138-K195 VanDerWaalsContact CG1-O 3.29Å; I138-K195 WeakPolarHBondContact CG1-O 3.24Å; I138-K195 PolarHBondContact N-O 3.4Å; I138-K195 PolarHBondContact O-N 3.45Å; K195-E223 IonicContact NZ-OE1 3.48Å; K195-E223 PolarHBondContact NZ-OE1 3.37Å; K195-E223 IonicContact NZ-OE2 3.79Å; K195-E223 PolarHBondContact NZ-OE2 2.86Å; K195-D224 VanDerWaalsContact CE-CG 3.5Å; K195-D224 WeakPolarHBondContact CE-OD2 3.49Å; K195-D224 WeakPolarHBondContact CG-OD1 3.32Å; K195-D224 IonicContact NZ-OD2 4Å
196N87.9Confident75Confident60 Ų6053 Ų5332%0.32129%0.285SS..EExtended strand (participates in β ladder)trans-84.8135.5176.3-62-31.2000108.5D224 L227N196-D224 PolarHBondContact O-N 2.86Å; N196-L227 HydrophobicContact CB-CD1 3.14Å
197Y88.6Confident74Confident4 Ų455.8 Ų55.82%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-141.4136.6-166.6173.1-100.3000110.6Q136 I138 Y163 E199 C221 E223 R245Q136-Y197 HydrophobicContact CB-CD1 4.41Å; Q136-Y197 PolarHBondContact N-O 2.75Å; Q136-Y197 PolarHBondContact O-N 3.01Å; I138-Y197 HydrophobicContact CD1-CD2 4.23Å; I138-Y197 HydrophobicContact CD1-CG 4.13Å; I138-Y197 HydrophobicContact CG2-CD1 4.21Å; I138-Y197 HydrophobicContact CG2-CG 4.26Å; Y163-Y197 AromaticContact CE2-CD2 3.88Å; Y163-Y197 HydrophobicContact CE2-CD2 3.88Å; Y163-Y197 AromaticContact CE2-CE2 3.65Å; Y163-Y197 HydrophobicContact CE2-CE2 3.65Å; Y163-Y197 HydrophobicContact CE2-CG 4.42Å; Y197-E199 HydrophobicContact CE1-CG 3.47Å; Y197-E199 VanDerWaalsContact CE1-CG 3.47Å; Y197-E199 WeakPolarHBondContact CE1-OE1 3.48Å; Y197-E199 VanDerWaalsContact CZ-CG 3.44Å; Y197-E199 WeakPolarHBondContact OH-CG 3.29Å; Y197-E199 PolarHBondContact OH-OE1 3.43Å; Y197-C221 HydrophobicContact CE2-CB 3.8Å; Y197-C221 PolarHBondContact OH-SG 2.9Å; Y197-E223 HydrophobicContact CD2-CG 4.48Å; Y197-R245 VanDerWaalsContact OH-CZ 3.29Å; Y197-R245 PolarHBondContact OH-NH1 3.2Å; Y197-R245 PolarHBondContact OH-NH2 3.42Å
198Q90.1Very high73.4Confident9 Ų954.3 Ų54.34%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-141.2141.9176.8-177.6174.231.900110.4G133 I222 L227G133-Q198 WeakPolarHBondContact O-CG 3.44Å; G133-Q198 PolarHBondContact O-NE2 3.5Å; Q198-I222 HydrophobicContact CB-CB 4.44Å; Q198-I222 PolarHBondContact N-O 2.84Å; Q198-I222 PolarHBondContact O-N 3.27Å; Q198-L227 HydrophobicContact CB-CD2 3.32Å
199E90.9Very high73Confident43 Ų4352.3 Ų52.320%0.20127%0.268CS..EExtended strand (participates in β ladder)trans-104.8129.6174.7-67.7-177.1169.200109.4G133 Y197 R245G133-E199 VanDerWaalsContact CA-O 3.29Å; G133-E199 WeakPolarHBondContact CA-O 3.17Å; G133-E199 PolarHBondContact N-O 2.69Å; Y197-E199 HydrophobicContact CE1-CG 3.47Å; Y197-E199 VanDerWaalsContact CE1-CG 3.47Å; Y197-E199 WeakPolarHBondContact CE1-OE1 3.48Å; Y197-E199 VanDerWaalsContact CZ-CG 3.44Å; Y197-E199 WeakPolarHBondContact OH-CG 3.29Å; Y197-E199 PolarHBondContact OH-OE1 3.43Å; E199-R245 IonicContact OE1-NH1 3.99Å; E199-R245 PolarHBondContact OE1-NH1 2.8Å
200I92Very high72.6Confident4 Ų449.5 Ų49.52%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-116.4150.8169.365.7163.9000109.4V129 R131 V132 V202 C219 V220 I222 I238V129-I200 HydrophobicContact CG1-CB 4.44Å; V129-I200 HydrophobicContact CG2-CD1 4.15Å; R131-I200 CarbonylContact O-C 3.59Å; R131-I200 WeakPolarHBondContact O-CA 3.38Å; V132-I200 HydrophobicContact CG1-CG2 4.31Å; V132-I200 HydrophobicContact CG2-CG2 4.35Å; I200-V202 HydrophobicContact CD1-CG1 3.71Å; I200-V202 HydrophobicContact CG1-CG1 4.14Å; I200-C219 WeakPolarHBondContact O-CA 3.28Å; I200-V220 HydrophobicContact CD1-CB 4.13Å; I200-V220 HydrophobicContact CG1-CB 3.68Å; I200-V220 HydrophobicContact CG1-CG1 4.42Å; I200-V220 HydrophobicContact CG1-CG2 4.34Å; I200-V220 PolarHBondContact N-O 3.42Å; I200-V220 PolarHBondContact O-N 3.1Å; I200-I222 HydrophobicContact CB-CD1 4.36Å; I200-I222 HydrophobicContact CD1-CD1 3.76Å; I200-I222 HydrophobicContact CD1-CG1 4.39Å; I200-I222 HydrophobicContact CG1-CD1 3.87Å; I200-I222 HydrophobicContact CG1-CG1 4.21Å; I200-I222 HydrophobicContact CG2-CD1 3.57Å; I200-I222 HydrophobicContact CG2-CG1 4.41Å; I200-I238 HydrophobicContact CD1-CD1 4.11Å
201R91.3Very high72.4Confident66 Ų6654.7 Ų54.725%0.24929%0.287CS..EExtended strand (participates in β ladder)trans-108.1131.6170.3-169.1177.3-65.5-167.73.3108.8S130 R131S130-R201 PolarHBondContact N-O 3.22Å; S130-R201 PolarHBondContact OG-O 2.64Å; S130-R201 VanDerWaalsContact OG-O 3.07Å; R131-R201 HydrophobicContact CB-CB 3.91Å; R131-R201 HydrophobicContact CG-CB 4.29Å; R131-R201 PolarHBondContact N-O 3.28Å; R131-R201 VanDerWaalsContact NH1-NH1 3.2Å; R131-R201 PolarHBondContact O-N 2.93Å
202V91.7Very high72.4Confident0 Ų053 Ų530%030%0.3CS..EExtended strand (participates in β ladder)trans-122.9147.7-177.9-53.90000111.1L125 A127 I128 V129 I200 S217 M218 V220 I238L125-V202 HydrophobicContact CD2-CG2 4.17Å; A127-V202 HydrophobicContact CB-CB 3.73Å; A127-V202 HydrophobicContact CB-CG2 3.81Å; I128-V202 CarbonylContact O-C 3.53Å; I128-V202 WeakPolarHBondContact O-CA 3.44Å; V129-V202 HydrophobicContact CG2-CG1 4Å; I200-V202 HydrophobicContact CD1-CG1 3.71Å; I200-V202 HydrophobicContact CG1-CG1 4.14Å; V202-S217 CarbonylContact O-C 3.58Å; V202-S217 VanDerWaalsContact O-CA 3.28Å; V202-S217 WeakPolarHBondContact O-CA 3.49Å; V202-M218 HydrophobicContact CG2-CB 4.26Å; V202-M218 PolarHBondContact N-O 3.44Å; V202-M218 PolarHBondContact O-N 3Å; V202-V220 HydrophobicContact CB-CG2 4.44Å; V202-V220 HydrophobicContact CG1-CG2 3.88Å; V202-V220 HydrophobicContact CG2-CG2 3.66Å; V202-I238 HydrophobicContact CG1-CD1 3.85Å
203H87.8Confident72.7Confident38 Ų3851.3 Ų51.318%0.17630%0.3CS..EExtended strand (participates in β ladder)trans-113.4153.7175-64.2155.2000110.3A127 I128 S130 S217A127-H203 CarbonylContact C-O 3.56Å; A127-H203 VanDerWaalsContact CA-O 3.23Å; A127-H203 WeakPolarHBondContact CA-O 3.49Å; A127-H203 VanDerWaalsContact CB-O 3.24Å; A127-H203 WeakPolarHBondContact CB-O 3.06Å; I128-H203 PolarHBondContact N-O 3.15Å; I128-H203 PolarHBondContact O-N 3.42Å; S130-H203 WeakPolarHBondContact CB-CE1 3.38Å; S130-H203 WeakPolarHBondContact CB-ND1 3.25Å; S130-H203 PolarHBondContact OG-CE1 3.33Å; S130-H203 VanDerWaalsContact OG-CE1 3.32Å; S130-H203 PolarHBondContact OG-NE2 2.58Å; H203-S217 WeakPolarHBondContact CD2-CB 3.01Å
204E83.7Confident72.8Confident34 Ų3457.7 Ų57.716%0.15933%0.333CS..EExtended strand (participates in β ladder)trans-58.2155.4168.9-62.6179.8-165.700111.6H112 I113H112-E204 IonicContact CG-OE2 2.91Å; H112-E204 IonicContact ND1-OE2 3.34Å; H112-E204 PolarHBondContact ND1-OE2 2.98Å; I113-E204 HydrophobicContact CB-CG 4.22Å; I113-E204 WeakPolarHBondContact CB-OE1 3.2Å; I113-E204 HydrophobicContact CD1-CG 3.77Å; I113-E204 HydrophobicContact CG1-CG 3.63Å; I113-E204 VanDerWaalsContact N-CD 3.33Å; I113-E204 PolarHBondContact N-OE1 3.13Å
205Q72.9Confident72.7Confident29 Ų2958.6 Ų58.614%0.13633%0.327CS..  trans-61.9153.2179.8-171.2-173.6-24.600112.5R126 D207R126-Q205 VanDerWaalsContact CZ-CD 3.49Å; Q205-D207 PolarHBondContact O-N 2.86Å
206F64.4Low72.9Confident10 Ų1064.5 Ų64.54%0.04435%0.348CS..  trans-75.895.2173.3-57.4-87.4000112.3I128 R215 V385 L417I128-F206 HydrophobicContact CB-CE2 4.48Å; I128-F206 HydrophobicContact CD1-CD2 3.08Å; I128-F206 HydrophobicContact CD1-CE2 3.09Å; I128-F206 HydrophobicContact CD1-CG 4.24Å; I128-F206 HydrophobicContact CD1-CZ 4.25Å; I128-F206 HydrophobicContact CG1-CE2 4.31Å; I128-F206 HydrophobicContact CG2-CE2 4.18Å; F206-R215 VanDerWaalsContact CD1-CZ 3.47Å; F206-V385 HydrophobicContact CD1-CG2 4.22Å; F206-V385 HydrophobicContact CE1-CG2 3.73Å; F206-V385 HydrophobicContact CZ-CG2 4.17Å; F206-L417 HydrophobicContact CE2-CB 4.42Å; F206-L417 HydrophobicContact CZ-CB 3.78Å; F206-L417 HydrophobicContact CZ-CD1 4.12Å; F206-L417 HydrophobicContact CZ-CD2 4.15Å; F206-L417 HydrophobicContact CZ-CG 4.22Å
207D59Low72.9Confident103 Ų10364.3 Ų64.355%0.55135%0.352SS*.SBendtrans-107.579.8158.5-74.8-32.5000108.1Q205 L209Q205-D207 PolarHBondContact O-N 2.86Å; D207-L209 PolarHBondContact O-N 2.76Å
208C51Low73Confident63 Ų6364.3 Ų64.343%0.42635%0.352SS..  trans4076.8174.2-1710000114.8T210C208-T210 PolarHBondContact O-N 3.5Å; C208-T210 VanDerWaalsContact O-N 3.11Å
209L47.8Very low73.1Confident74 Ų7465.2 Ų65.239%0.38736%0.359SS..  trans-62.1119.9172.2-69.2-172.5000110.7D207 R215D207-L209 PolarHBondContact O-N 2.76Å; L209-R215 HydrophobicContact CD1-CG 3.55Å
210T43.5Very low73.2Confident105 Ų10563.1 Ų63.164%0.64435%0.349SS*.  trans-63.1146.8158.550.70000109.1C208 G212C208-T210 PolarHBondContact O-N 3.5Å; C208-T210 VanDerWaalsContact O-N 3.11Å; T210-G212 PolarHBondContact O-N 3.4Å; T210-G212 VanDerWaalsContact O-N 3.08Å
211V49.1Very low73.2Confident143 Ų14363 Ų6387%0.86735%0.348SS*.THydrogen-bonded Turntrans-59.1114.3179.7-179.10000108.9
212G53.6Low73.3Confident78 Ų7859.9 Ų59.980%0.80434%0.337SS*.THydrogen-bonded Turntrans135.3-21.2170.200000116.9T210T210-G212 PolarHBondContact O-N 3.4Å; T210-G212 VanDerWaalsContact O-N 3.08Å
213V63.1Low73.2Confident97 Ų9760.5 Ų60.559%0.58834%0.34SS*.  trans-94.9113.5178.6-173.40000110.4
214M67.5Low73.1Confident172 Ų17259.2 Ų59.285%0.84733%0.334SS*.PPolyproline II helixtrans-71.2131.5173.3-177.4172.6169.900110
215R72.6Confident73.1Confident63 Ų6359.4 Ų59.424%0.23834%0.336CS..PPolyproline II helixtrans-62.7139.2176-61.9-175.3-171.3121.415.5110.2F206 L209F206-R215 VanDerWaalsContact CD1-CZ 3.47Å; L209-R215 HydrophobicContact CD1-CG 3.55Å
216R83Confident73.8Confident159 Ų15958.5 Ų58.560%0.633%0.332SS*.PPolyproline II helixtrans-69.1147.6165.6-68-179.9179.3-177.41.3108.6I113I113-R216 HydrophobicContact CB-CB 4.36Å; I113-R216 HydrophobicContact CD1-CB 3.59Å; I113-R216 WeakPolarHBondContact CD1-O 3.28Å
217S87.7Confident74.9Confident56 Ų5659.2 Ų59.239%0.39234%0.337SS..EExtended strand (participates in β ladder)trans-126.7142.2175.7680000109.9V202 H203V202-S217 CarbonylContact O-C 3.58Å; V202-S217 VanDerWaalsContact O-CA 3.28Å; V202-S217 WeakPolarHBondContact O-CA 3.49Å; H203-S217 WeakPolarHBondContact CD2-CB 3.01Å
218M90.6Very high76.1Confident4 Ų461.6 Ų61.62%0.0234%0.344CS..EExtended strand (participates in β ladder)trans-125.8145.3175.9-168.6179.7-171.200109.9I113 P114 L125 V202 V242 Y260 L261I113-M218 HydrophobicContact CD1-CB 4.11Å; I113-M218 HydrophobicContact CG1-CB 4.15Å; I113-M218 HydrophobicContact CG2-CB 4.01Å; I113-M218 HydrophobicContact CG2-CG 4.43Å; I113-M218 HydrophobicContact CG2-SD 4.22Å; P114-M218 HydrophobicContact CG-CE 3.78Å; P114-M218 HydrophobicContact CG-SD 3.58Å; P114-M218 VanDerWaalsContact CG-SD 3.58Å; L125-M218 HydrophobicContact CD2-SD 4.23Å; V202-M218 HydrophobicContact CG2-CB 4.26Å; V202-M218 PolarHBondContact N-O 3.44Å; V202-M218 PolarHBondContact O-N 3Å; M218-V242 HydrophobicContact CE-CG1 4.25Å; M218-Y260 VanDerWaalsContact CE-C 3.42Å; M218-L261 HydrophobicContact CE-CB 3.7Å; M218-L261 HydrophobicContact SD-CB 4.03Å
219C91.8Very high77.8Confident28 Ų2861.3 Ų61.319%0.18934%0.343CS..EExtended strand (participates in β ladder)trans-89.7131.7171.6-65.20000109.9I200 Y260 L261I200-C219 WeakPolarHBondContact O-CA 3.28Å; C219-Y260 HydrophobicContact CB-CD1 3.65Å; C219-Y260 HydrophobicContact CB-CE1 3.31Å; C219-Y260 HydrophobicContact CB-CE2 4.5Å; C219-Y260 HydrophobicContact CB-CG 4.4Å; C219-L261 PolarHBondContact O-N 3.5Å
220V93.5Very high79.6Confident0 Ų058.2 Ų58.20%033%0.326CS..EExtended strand (participates in β ladder)trans-116.6134.7177.2-171.90000109.1I200 V202 I238 L261 A263I200-V220 HydrophobicContact CD1-CB 4.13Å; I200-V220 HydrophobicContact CG1-CB 3.68Å; I200-V220 HydrophobicContact CG1-CG1 4.42Å; I200-V220 HydrophobicContact CG1-CG2 4.34Å; I200-V220 PolarHBondContact N-O 3.42Å; I200-V220 PolarHBondContact O-N 3.1Å; V202-V220 HydrophobicContact CB-CG2 4.44Å; V202-V220 HydrophobicContact CG1-CG2 3.88Å; V202-V220 HydrophobicContact CG2-CG2 3.66Å; V220-I238 HydrophobicContact CB-CD1 4.41Å; V220-I238 HydrophobicContact CG1-CD1 4.18Å; V220-I238 HydrophobicContact CG1-CG2 3.92Å; V220-I238 HydrophobicContact CG2-CD1 3.87Å; V220-L261 CarbonylContact C-O 3.6Å; V220-L261 VanDerWaalsContact CA-O 3.29Å; V220-L261 WeakPolarHBondContact CA-O 3.22Å; V220-L261 HydrophobicContact CB-CB 4.38Å; V220-L261 HydrophobicContact CG1-CB 4.12Å; V220-L261 HydrophobicContact CG1-CD2 4.22Å; V220-L261 HydrophobicContact CG1-CG 4.27Å; V220-L261 WeakPolarHBondContact CG1-O 3.29Å; V220-L261 HydrophobicContact CG2-CB 4.05Å; V220-L261 HydrophobicContact CG2-CD2 4.12Å; V220-A263 HydrophobicContact CG1-CB 3.84Å
221C92.6Very high81.6Confident0 Ų058.7 Ų58.70%032%0.32CS..EExtended strand (participates in β ladder)trans-97.4123.8177.3-66.10000109.7F159 Y197 R245 Y260 L261 A263F159-C221 HydrophobicContact CE2-CB 3.86Å; F159-C221 HydrophobicContact CZ-CB 3.78Å; F159-C221 VanDerWaalsContact CZ-SG 3.55Å; Y197-C221 HydrophobicContact CE2-CB 3.8Å; Y197-C221 PolarHBondContact OH-SG 2.9Å; C221-R245 PolarHBondContact SG-NH2 3.2Å; C221-Y260 VanDerWaalsContact SG-CD1 3.6Å; C221-L261 PolarHBondContact N-O 3.43Å; C221-A263 WeakPolarHBondContact O-CB 2.95Å; C221-A263 PolarHBondContact O-N 3.14Å
222I92.6Very high83.3Confident1 Ų152.9 Ų52.91%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-110.9140.5177.6-53-174.8000108.5Q198 I200 L226 L227 I266Q198-I222 HydrophobicContact CB-CB 4.44Å; Q198-I222 PolarHBondContact N-O 2.84Å; Q198-I222 PolarHBondContact O-N 3.27Å; I200-I222 HydrophobicContact CB-CD1 4.36Å; I200-I222 HydrophobicContact CD1-CD1 3.76Å; I200-I222 HydrophobicContact CD1-CG1 4.39Å; I200-I222 HydrophobicContact CG1-CD1 3.87Å; I200-I222 HydrophobicContact CG1-CG1 4.21Å; I200-I222 HydrophobicContact CG2-CD1 3.57Å; I200-I222 HydrophobicContact CG2-CG1 4.41Å; I222-L226 HydrophobicContact CG2-CB 3.34Å; I222-L226 WeakPolarHBondContact CG2-O 3.48Å; I222-L227 HydrophobicContact CB-CD2 4.32Å; I222-L227 HydrophobicContact CG2-CD2 4.02Å; I222-I266 HydrophobicContact CD1-CD1 3.5Å; I222-I266 HydrophobicContact CG1-CD1 3.84Å; I222-I266 HydrophobicContact CG2-CD1 4.37Å
223E89.2Confident84.5Confident13 Ų1349.3 Ų49.36%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-131.7140.3-173.9-65-176.8139.100110.3Y163 K195 Y197 D225 L226 K262Y163-E223 PolarHBondContact OH-OE1 3.14Å; K195-E223 IonicContact NZ-OE1 3.48Å; K195-E223 PolarHBondContact NZ-OE1 3.37Å; K195-E223 IonicContact NZ-OE2 3.79Å; K195-E223 PolarHBondContact NZ-OE2 2.86Å; Y197-E223 HydrophobicContact CD2-CG 4.48Å; E223-D225 PolarHBondContact O-N 2.85Å; E223-L226 PolarHBondContact O-N 3.31Å; E223-K262 VanDerWaalsContact OE2-CE 3.22Å; E223-K262 WeakPolarHBondContact OE2-CE 3.42Å; E223-K262 IonicContact OE2-NZ 2.86Å
224D85.1Confident85.5Confident11 Ų1145.4 Ų45.46%0.05922%0.224CC..G310 helixtrans59.4-106.8166.1-51.9-44.4000117.1H36 H96 K195 N196 L226 L227H36-D224 HydrophobicContact CB-CB 4.27Å; H36-D224 IonicContact CE1-OD1 2.94Å; H36-D224 PolarHBondContact CE1-OD1 3.04Å; H36-D224 IonicContact ND1-OD1 3.89Å; H36-D224 IonicContact NE2-OD1 3.91Å; H96-D224 IonicContact CE1-OD2 3.5Å; H96-D224 IonicContact NE2-OD2 3.65Å; H96-D224 PolarHBondContact NE2-OD2 3.19Å; K195-D224 VanDerWaalsContact CE-CG 3.5Å; K195-D224 WeakPolarHBondContact CE-OD2 3.49Å; K195-D224 WeakPolarHBondContact CG-OD1 3.32Å; K195-D224 IonicContact NZ-OD2 4Å; N196-D224 PolarHBondContact O-N 2.86Å; D224-L226 VanDerWaalsContact C-N 3.32Å; D224-L227 WeakPolarHBondContact O-CD1 3.36Å; D224-L227 WeakPolarHBondContact O-CG 3.49Å
225D85.4Confident86.3Confident39 Ų3937.7 Ų37.721%0.20919%0.186CC..G310 helixtrans-74.4-20.5-175.865.8-29.1000113.3H36 S38 R98 E223 L227H36-D225 HydrophobicContact CB-CB 4.28Å; S38-D225 WeakPolarHBondContact CB-OD2 3.45Å; S38-D225 PolarHBondContact OG-OD2 3.28Å; R98-D225 IonicContact CZ-OD1 2.68Å; R98-D225 VanDerWaalsContact CZ-OD1 3.25Å; R98-D225 IonicContact NE-OD1 3.75Å; R98-D225 PolarHBondContact NE-OD1 2.52Å; R98-D225 IonicContact NE-OD2 3.16Å; R98-D225 PolarHBondContact NE-OD2 3.45Å; R98-D225 IonicContact NH2-OD1 2.82Å; R98-D225 PolarHBondContact NH2-OD1 3.13Å; R98-D225 IonicContact NH2-OD2 3.43Å; E223-D225 PolarHBondContact O-N 2.85Å; D225-L227 PolarHBondContact O-N 3.02Å
226L87Confident87.1Confident9 Ų934.7 Ų34.75%0.04717%0.174CC..G310 helixtrans-82.4-1.5-179-63.5178.1000113.2I222 E223 D224 C229 Y265 I266I222-L226 HydrophobicContact CG2-CB 3.34Å; I222-L226 WeakPolarHBondContact CG2-O 3.48Å; E223-L226 PolarHBondContact O-N 3.31Å; D224-L226 VanDerWaalsContact C-N 3.32Å; L226-C229 VanDerWaalsContact C-SG 3.57Å; L226-C229 WeakPolarHBondContact O-CB 3.35Å; L226-C229 PolarHBondContact O-SG 3.45Å; L226-C229 VanDerWaalsContact O-SG 3.41Å; L226-Y265 HydrophobicContact CD2-CD2 4.13Å; L226-I266 HydrophobicContact CD1-CG1 4.5Å
227L87.4Confident87.5Confident26 Ų2627.4 Ų27.414%0.13615%0.147CC..THydrogen-bonded Turntrans-68.9144.7-177.8-60.3173.4000111.1V135 N196 Q198 I222 D224 D225 C229V135-L227 HydrophobicContact CG1-CD1 4.05Å; N196-L227 HydrophobicContact CB-CD1 3.14Å; Q198-L227 HydrophobicContact CB-CD2 3.32Å; I222-L227 HydrophobicContact CB-CD2 4.32Å; I222-L227 HydrophobicContact CG2-CD2 4.02Å; D224-L227 WeakPolarHBondContact O-CD1 3.36Å; D224-L227 WeakPolarHBondContact O-CG 3.49Å; D225-L227 PolarHBondContact O-N 3.02Å; L227-C229 PolarHBondContact O-N 3.11Å
228E85Confident87.8Confident152 Ų15224.7 Ų24.771%0.7113%0.129SC*.THydrogen-bonded Turntrans58.97.9179.9-53.9-171.8155.700115.5V135 V230V135-E228 HydrophobicContact CG2-CG 3.97Å; E228-V230 PolarHBondContact O-N 2.86Å
229C85Confident87.9Confident58 Ų5824.7 Ų24.739%0.39213%0.129SC..  trans-69.7-13.6175.4-66.30000114L226 L227 N268L226-C229 VanDerWaalsContact C-SG 3.57Å; L226-C229 WeakPolarHBondContact O-CB 3.35Å; L226-C229 PolarHBondContact O-SG 3.45Å; L226-C229 VanDerWaalsContact O-SG 3.41Å; L227-C229 PolarHBondContact O-N 3.11Å; C229-N268 PolarHBondContact O-ND2 3.39Å
230V86.9Confident87.9Confident8 Ų823.3 Ų23.35%0.04812%0.12CC..  trans-128.3134.9-169.4-171.80000110.9V129 E228 D234 V236 I266V129-V230 HydrophobicContact CB-CG1 3.83Å; V129-V230 HydrophobicContact CG1-CG1 3.96Å; V129-V230 HydrophobicContact CG2-CG1 3.28Å; E228-V230 PolarHBondContact O-N 2.86Å; V230-D234 HydrophobicContact CG1-CB 4.17Å; V230-V236 HydrophobicContact CG1-CG1 3.83Å; V230-V236 HydrophobicContact CG2-CG1 4.18Å; V230-I266 HydrophobicContact CG2-CD1 4.26Å; V230-I266 HydrophobicContact CG2-CG2 3.82Å
231K84Confident87.9Confident115 Ų11523.6 Ų23.650%0.512%0.121SC..  trans-106.2153.7175.1-64.3167.1-171.9154.30110.5G233 D234K231-G233 PolarHBondContact O-N 3.23Å; K231-D234 WeakPolarHBondContact CB-OD2 3.41Å; K231-D234 PolarHBondContact N-OD2 3.04Å; K231-D234 WeakPolarHBondContact O-CB 3.29Å; K231-D234 PolarHBondContact O-N 3.47Å; K231-D234 VanDerWaalsContact O-N 3.14Å
232P84.8Confident87.9Confident22 Ų2223.6 Ų23.614%0.14312%0.121CC..THydrogen-bonded Turntrans-64.3128.3174.728.4-34.5000109.7V132 A412 V416 L459V132-P232 HydrophobicContact CG2-CB 4.45Å; P232-A412 HydrophobicContact CB-CB 4.3Å; P232-V416 WeakPolarHBondContact O-CG1 3.19Å; P232-L459 HydrophobicContact CG-CD2 3.7Å
233G79.9Confident87.8Confident2 Ų223.9 Ų23.92%0.02112%0.123CC..THydrogen-bonded Turntrans102.9-12-173.200000114.3V129 K231 R383V129-G233 PolarHBondContact O-N 3.49Å; K231-G233 PolarHBondContact O-N 3.23Å; G233-R383 PolarHBondContact O-NH2 3Å
234D84.1Confident87.8Confident16 Ų1627.7 Ų27.79%0.08614%0.137CC..  trans-74.4139-177.9-69.1-11000111.8I128 V129 V230 K231 V236 N268I128-D234 WeakPolarHBondContact CA-O 3.42Å; V129-D234 PolarHBondContact N-O 3.29Å; V230-D234 HydrophobicContact CG1-CB 4.17Å; K231-D234 WeakPolarHBondContact CB-OD2 3.41Å; K231-D234 PolarHBondContact N-OD2 3.04Å; K231-D234 WeakPolarHBondContact O-CB 3.29Å; K231-D234 PolarHBondContact O-N 3.47Å; K231-D234 VanDerWaalsContact O-N 3.14Å; D234-V236 HydrophobicContact CB-CG1 4.29Å; D234-N268 PolarHBondContact OD2-ND2 2.97Å
235E84.1Confident87.9Confident9 Ų927.2 Ų27.24%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-82.4123.1166.1-168.5-176.1-170.300109.7R126 I128 L269 T270 K273R126-E235 IonicContact CZ-OE1 3.32Å; R126-E235 IonicContact NE-OE1 2.74Å; R126-E235 PolarHBondContact NE-OE1 2.82Å; R126-E235 IonicContact NH2-OE1 3.23Å; R126-E235 PolarHBondContact NH2-OE1 3.31Å; I128-E235 HydrophobicContact CG1-CB 4.29Å; I128-E235 HydrophobicContact CG1-CG 4.14Å; E235-L269 HydrophobicContact CB-CB 4.46Å; E235-L269 HydrophobicContact CG-CB 4.47Å; E235-L269 HydrophobicContact CG-CD1 4.08Å; E235-L269 WeakPolarHBondContact O-CB 3.45Å; E235-L269 PolarHBondContact O-N 2.85Å; E235-T270 PolarHBondContact N-OG1 2.97Å; E235-K273 IonicContact OE2-NZ 3.33Å; E235-K273 PolarHBondContact OE2-NZ 3Å
236V89.6Confident87.9Confident0 Ų029.3 Ų29.30%014%0.139CC..EExtended strand (participates in β ladder)trans-131.4146-174.3-64.40000111.5A127 V129 V230 D234 I238 I266 E267A127-V236 PolarHBondContact N-O 3.09Å; A127-V236 WeakPolarHBondContact O-CG2 3.33Å; A127-V236 PolarHBondContact O-N 3.38Å; V129-V236 HydrophobicContact CG2-CG1 4.12Å; V129-V236 HydrophobicContact CG2-CG2 3.58Å; V230-V236 HydrophobicContact CG1-CG1 3.83Å; V230-V236 HydrophobicContact CG2-CG1 4.18Å; D234-V236 HydrophobicContact CB-CG1 4.29Å; V236-I238 HydrophobicContact CB-CG1 4.32Å; V236-I238 HydrophobicContact CG2-CD1 3.78Å; V236-I238 HydrophobicContact CG2-CG1 3.78Å; V236-I266 HydrophobicContact CB-CG2 3.95Å; V236-I266 HydrophobicContact CG1-CG2 4Å; V236-E267 CarbonylContact C-O 3.55Å; V236-E267 VanDerWaalsContact CA-O 3.28Å; V236-E267 WeakPolarHBondContact CA-O 3.47Å
237V91.2Very high87.4Confident6 Ų635.1 Ų35.14%0.03616%0.161CC..EExtended strand (participates in β ladder)trans-105.4118.8164.3179.80000107.7Y109 A124 L125 R126 I266 E267 L269Y109-V237 HydrophobicContact CE2-CG1 4.17Å; A124-V237 HydrophobicContact CB-CG1 4.3Å; L125-V237 WeakPolarHBondContact O-CA 3.39Å; R126-V237 HydrophobicContact CB-CG2 4.29Å; R126-V237 HydrophobicContact CG-CG2 4.2Å; V237-I266 WeakPolarHBondContact O-CA 3.47Å; V237-E267 HydrophobicContact CB-CB 4.25Å; V237-E267 PolarHBondContact N-O 2.91Å; V237-E267 PolarHBondContact O-N 2.95Å; V237-L269 HydrophobicContact CG2-CD1 3.75Å; V237-L269 HydrophobicContact CG2-CD2 4.31Å; V237-L269 HydrophobicContact CG2-CG 4.07Å
238I93Very high86.3Confident0 Ų037.8 Ų37.80%018%0.18CC..EExtended strand (participates in β ladder)trans-109112.2-174.9-55.6173.9000108.3A124 L125 I200 V202 V220 V236 L261 A263 I266A124-I238 WeakPolarHBondContact CA-O 3.39Å; L125-I238 PolarHBondContact N-O 2.92Å; L125-I238 PolarHBondContact O-N 2.81Å; I200-I238 HydrophobicContact CD1-CD1 4.11Å; V202-I238 HydrophobicContact CG1-CD1 3.85Å; V220-I238 HydrophobicContact CB-CD1 4.41Å; V220-I238 HydrophobicContact CG1-CD1 4.18Å; V220-I238 HydrophobicContact CG1-CG2 3.92Å; V220-I238 HydrophobicContact CG2-CD1 3.87Å; V236-I238 HydrophobicContact CB-CG1 4.32Å; V236-I238 HydrophobicContact CG2-CD1 3.78Å; V236-I238 HydrophobicContact CG2-CG1 3.78Å; I238-L261 HydrophobicContact CB-CD2 4.05Å; I238-L261 HydrophobicContact CG2-CD2 3.56Å; I238-L261 HydrophobicContact CG2-CG 4.38Å; I238-A263 HydrophobicContact CG2-CB 3.82Å; I238-I266 HydrophobicContact CG1-CG1 4.38Å; I238-I266 HydrophobicContact CG1-CG2 4.38Å; I238-I266 HydrophobicContact CG2-CG1 4.36Å
239N93Very high85.4Confident3 Ų333.7 Ų33.72%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-89.5120.1172.3-60.5-22.4000107.8L99 L102 F122 I123 A124 N264 Y265L99-N239 PolarHBondContact O-ND2 3.49Å; L102-N239 HydrophobicContact CD1-CB 4.22Å; F122-N239 HydrophobicContact CE1-CB 4.37Å; F122-N239 HydrophobicContact CZ-CB 4.04Å; I123-N239 WeakPolarHBondContact O-CA 3.44Å; A124-N239 VanDerWaalsContact CB-OD1 3.29Å; A124-N239 WeakPolarHBondContact CB-OD1 3.48Å; N239-N264 WeakPolarHBondContact O-CA 3.45Å; N239-N264 PolarHBondContact O-N 3.25Å; N239-Y265 PolarHBondContact N-O 3.28Å; N239-Y265 PolarHBondContact O-N 2.83Å
240G92.5Very high84.8Confident0 Ų039.2 Ų39.20%018%0.183CC..EExtended strand (participates in β ladder)trans-166.1171.7-172.500000115.2F122 I123 K262F122-G240 WeakPolarHBondContact CA-O 3.38Å; F122-G240 WeakPolarHBondContact CD2-O 3.29Å; I123-G240 PolarHBondContact N-O 3.24Å; I123-G240 PolarHBondContact O-N 2.92Å; G240-K262 CarbonylContact C-O 3.59Å; G240-K262 WeakPolarHBondContact CA-O 3.42Å
241V93Very high84.4Confident6 Ų648.8 Ų48.84%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-96.3126.5176.7-174.60000109.3P61 E62 F122 T243 K262P61-V241 HydrophobicContact CB-CG2 3.6Å; P61-V241 HydrophobicContact CG-CB 4.36Å; P61-V241 HydrophobicContact CG-CG1 3.83Å; P61-V241 HydrophobicContact CG-CG2 3.59Å; E62-V241 HydrophobicContact CG-CG1 4.25Å; E62-V241 HydrophobicContact CG-CG2 4.43Å; F122-V241 HydrophobicContact CD2-CG2 3.81Å; F122-V241 HydrophobicContact CE2-CG2 4.38Å; V241-T243 HydrophobicContact CB-CG2 4.45Å; V241-T243 HydrophobicContact CG1-CG2 3.95Å; V241-T243 PolarHBondContact O-N 3.48Å; V241-K262 PolarHBondContact N-O 3.4Å; V241-K262 PolarHBondContact O-N 2.82Å
242V92.5Very high84Confident0 Ų047.6 Ų47.60%025%0.248CC..EExtended strand (participates in β ladder)trans-76.8120.9172.8-175.40000108.9P114 D118 G120 K121 I123 M218 L261P114-V242 HydrophobicContact CB-CG2 4.02Å; P114-V242 HydrophobicContact CG-CG1 4.45Å; P114-V242 HydrophobicContact CG-CG2 3.94Å; D118-V242 HydrophobicContact CB-CG2 4.39Å; D118-V242 WeakPolarHBondContact O-CB 3.22Å; G120-V242 PolarHBondContact N-O 3.3Å; K121-V242 PolarHBondContact O-N 3.36Å; I123-V242 HydrophobicContact CD1-CG2 3.34Å; I123-V242 HydrophobicContact CG1-CG2 3.69Å; I123-V242 HydrophobicContact CG2-CG2 4.37Å; M218-V242 HydrophobicContact CE-CG1 4.25Å; V242-L261 HydrophobicContact CG2-CD1 3.95Å
243T91.1Very high83.8Confident7 Ų749.1 Ų49.14%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-128.4169.7-17853.90000110.1F159 V241 Y260F159-T243 VanDerWaalsContact CE1-OG1 3.24Å; F159-T243 WeakPolarHBondContact CE1-OG1 3.21Å; V241-T243 HydrophobicContact CB-CG2 4.45Å; V241-T243 HydrophobicContact CG1-CG2 3.95Å; V241-T243 PolarHBondContact O-N 3.48Å; T243-Y260 PolarHBondContact N-O 2.96Å; T243-Y260 PolarHBondContact O-N 2.69Å; T243-Y260 PolarHBondContact OG1-O 2.9Å
244R89.8Confident83.7Confident92 Ų9254.3 Ų54.335%0.34729%0.292SS..EExtended strand (participates in β ladder)trans-115.7140.6176.3-64.3172.1-170.4172.23.6108.6S116 T119 E160 W246 I257 F258S116-R244 PolarHBondContact O-NH2 2.83Å; T119-R244 HydrophobicContact CG2-CG 3.8Å; T119-R244 PolarHBondContact OG1-NE 2.86Å; T119-R244 PolarHBondContact OG1-NH2 2.93Å; T119-R244 VanDerWaalsContact OG1-NH2 3.1Å; E160-R244 WeakPolarHBondContact CG-O 3.46Å; R244-W246 HydrophobicContact CB-CE3 4.5Å; R244-I257 HydrophobicContact CB-CG2 4.14Å; R244-I257 HydrophobicContact CG-CG2 4.39Å; R244-F258 CarbonylContact C-O 3.43Å; R244-F258 WeakPolarHBondContact CA-O 3.49Å
245R87.5Confident83.4Confident1 Ų157.6 Ų57.60%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-115.9137.5167.8-72.5-172.7171.2173.3-0.9109.5F159 E160 F162 Y197 E199 C221 F258 Y260F159-R245 HydrophobicContact CE1-CG 4.27Å; F159-R245 VanDerWaalsContact CZ-NH2 3.29Å; F159-R245 PolarHBondContact O-NE 3.42Å; E160-R245 VanDerWaalsContact O-CA 3.29Å; E160-R245 WeakPolarHBondContact O-CA 3.47Å; F162-R245 HydrophobicContact CE2-CB 3.97Å; F162-R245 HydrophobicContact CZ-CB 3.99Å; Y197-R245 VanDerWaalsContact OH-CZ 3.29Å; Y197-R245 PolarHBondContact OH-NH1 3.2Å; Y197-R245 PolarHBondContact OH-NH2 3.42Å; E199-R245 IonicContact OE1-NH1 3.99Å; E199-R245 PolarHBondContact OE1-NH1 2.8Å; C221-R245 PolarHBondContact SG-NH2 3.2Å; R245-F258 PolarHBondContact N-O 3.37Å; R245-F258 PolarHBondContact O-N 2.87Å; R245-Y260 HydrophobicContact CB-CD2 3.73Å; R245-Y260 HydrophobicContact CB-CE2 3.97Å; R245-Y260 HydrophobicContact CB-CG 4.46Å; R245-Y260 HydrophobicContact CG-CD2 3.81Å; R245-Y260 HydrophobicContact CG-CE2 4.3Å; R245-Y260 HydrophobicContact CG-CG 4.04Å
246W85.2Confident83.1Confident83 Ų8362 Ų6231%0.31434%0.336SS..EExtended strand (participates in β ladder)trans-131.9150.1174.159.882.7000109.7E160 N161 R244 I257E160-W246 HydrophobicContact CB-CE3 4.14Å; E160-W246 HydrophobicContact CB-CH2 3.57Å; E160-W246 HydrophobicContact CB-CZ2 3.95Å; E160-W246 HydrophobicContact CB-CZ3 3.63Å; E160-W246 HydrophobicContact CG-CH2 4.05Å; E160-W246 HydrophobicContact CG-CZ3 4.04Å; E160-W246 PolarHBondContact O-N 2.89Å; E160-W246 VanDerWaalsContact O-N 3.09Å; E160-W246 WeakPolarHBondContact OE2-CH2 3.38Å; N161-W246 PolarHBondContact OD1-NE1 3.11Å; R244-W246 HydrophobicContact CB-CE3 4.5Å; W246-I257 HydrophobicContact CB-CG1 4.35Å
247R75.4Confident82.9Confident132 Ų13267 Ų6750%0.49836%0.362SS..PPolyproline II helixtrans-92.3141.7170.2-67.6-178.3178.5160.8-2.9108.6F162 T249F162-R247 HydrophobicContact CD2-CG 3.98Å; F162-R247 HydrophobicContact CE2-CG 3.42Å; F162-R247 VanDerWaalsContact CE2-CG 3.42Å; F162-R247 HydrophobicContact CZ-CG 4.08Å; R247-T249 PolarHBondContact O-N 3.45Å; R247-T249 VanDerWaalsContact O-N 3.11Å
248C65.6Low82.7Confident81 Ų8170.8 Ų70.855%0.54738%0.378SS..PPolyproline II helixtrans-60.7118.2173.4-690000108.9K166K166-C248 PolarHBondContact NZ-SG 2.9Å
249T64.1Low82.6Confident66 Ų6673 Ų7341%0.40539%0.391SS..PPolyproline II helixtrans-71.7139.9178.941.70000110.5R247 C255R247-T249 PolarHBondContact O-N 3.45Å; R247-T249 VanDerWaalsContact O-N 3.11Å; T249-C255 VanDerWaalsContact CG2-CA 3.46Å; T249-C255 HydrophobicContact CG2-CB 3.93Å; T249-C255 WeakPolarHBondContact CG2-SG 3.22Å
250K73.5Confident82.5Confident175 Ų17573.9 Ų73.976%0.76140%0.395SS*.PPolyproline II helixtrans-72.8146.8159.5-64.1178.1-178.71770106.9G252 S253K250-G252 PolarHBondContact O-N 2.79Å; K250-G252 VanDerWaalsContact O-N 3.11Å; K250-S253 PolarHBondContact N-OG 3.23Å; K250-S253 VanDerWaalsContact N-OG 3.13Å; K250-S253 PolarHBondContact O-N 2.85Å; K250-S253 PolarHBondContact O-OG 2.9Å
251E77.5Confident82.5Confident208 Ų20873.9 Ų73.997%0.97240%0.395SS*.THydrogen-bonded Turntrans-52.1121.9173.8-66.2-178.3170.200109
252G77.4Confident82.5Confident90 Ų9076.3 Ų76.393%0.92841%0.405SS*.THydrogen-bonded Turntrans96-7.7-177.900000117.2K250K250-G252 PolarHBondContact O-N 2.79Å; K250-G252 VanDerWaalsContact O-N 3.11Å
253S80Confident82.6Confident54 Ų5476.4 Ų76.438%0.37841%0.406SS..SBendtrans-95.4143.7175.461.30000113K250K250-S253 PolarHBondContact N-OG 3.23Å; K250-S253 VanDerWaalsContact N-OG 3.13Å; K250-S253 PolarHBondContact O-N 2.85Å; K250-S253 PolarHBondContact O-OG 2.9Å
254P78.3Confident82.7Confident111 Ų11176.9 Ų76.972%0.72141%0.408SS*.  trans-63.5143.3174.826.8-33.7000111.2E256P254-E256 PolarHBondContact O-N 2.82Å
255C76.6Confident82.8Confident85 Ų8574.7 Ų74.757%0.57440%0.4SS*.  trans-75.1111.7175.8-64.80000110.1T249 I257T249-C255 VanDerWaalsContact CG2-CA 3.46Å; T249-C255 HydrophobicContact CG2-CB 3.93Å; T249-C255 WeakPolarHBondContact CG2-SG 3.22Å; C255-I257 PolarHBondContact O-N 3.14Å
256E79.2Confident83Confident102 Ų10275.3 Ų75.348%0.47740%0.403SS..  trans-81.8105.4170.2-65.3178.6177.800109.6P254 F258P254-E256 PolarHBondContact O-N 2.82Å; E256-F258 HydrophobicContact CB-CD2 4.49Å; E256-F258 HydrophobicContact CB-CE2 3.66Å; E256-F258 HydrophobicContact CB-CZ 3.95Å
257I85.3Confident83.1Confident106 Ų10673.6 Ų73.654%0.54440%0.399SS..EExtended strand (participates in β ladder)trans-103.8123.3175.5-55.4172.6000107.9R244 W246 C255R244-I257 HydrophobicContact CB-CG2 4.14Å; R244-I257 HydrophobicContact CG-CG2 4.39Å; W246-I257 HydrophobicContact CB-CG1 4.35Å; C255-I257 PolarHBondContact O-N 3.14Å
258F86.7Confident83.6Confident84 Ų8468 Ų6837%0.36838%0.379SS..EExtended strand (participates in β ladder)trans-113.6139.6178-61-79.1000110R244 R245 E256 Y260R244-F258 CarbonylContact C-O 3.43Å; R244-F258 WeakPolarHBondContact CA-O 3.49Å; R245-F258 PolarHBondContact N-O 3.37Å; R245-F258 PolarHBondContact O-N 2.87Å; E256-F258 HydrophobicContact CB-CD2 4.49Å; E256-F258 HydrophobicContact CB-CE2 3.66Å; E256-F258 HydrophobicContact CB-CZ 3.95Å; F258-Y260 HydrophobicContact CB-CD2 3.88Å; F258-Y260 HydrophobicContact CB-CE2 3.52Å; F258-Y260 HydrophobicContact CG-CE2 4.35Å
259T89.9Confident84.2Confident47 Ų4765.6 Ų65.629%0.28836%0.36SS..EExtended strand (participates in β ladder)trans-82.7132.5169.9500000109.9
260Y91.8Very high84.5Confident22 Ų2263 Ų639%0.08634%0.344CS..EExtended strand (participates in β ladder)trans-130.6145.7-179.8-87.2-102.5000109.8M218 C219 C221 T243 R245 F258M218-Y260 VanDerWaalsContact CE-C 3.42Å; C219-Y260 HydrophobicContact CB-CD1 3.65Å; C219-Y260 HydrophobicContact CB-CE1 3.31Å; C219-Y260 HydrophobicContact CB-CE2 4.5Å; C219-Y260 HydrophobicContact CB-CG 4.4Å; C221-Y260 VanDerWaalsContact SG-CD1 3.6Å; T243-Y260 PolarHBondContact N-O 2.96Å; T243-Y260 PolarHBondContact O-N 2.69Å; T243-Y260 PolarHBondContact OG1-O 2.9Å; R245-Y260 HydrophobicContact CB-CD2 3.73Å; R245-Y260 HydrophobicContact CB-CE2 3.97Å; R245-Y260 HydrophobicContact CB-CG 4.46Å; R245-Y260 HydrophobicContact CG-CD2 3.81Å; R245-Y260 HydrophobicContact CG-CE2 4.3Å; R245-Y260 HydrophobicContact CG-CG 4.04Å; F258-Y260 HydrophobicContact CB-CD2 3.88Å; F258-Y260 HydrophobicContact CB-CE2 3.52Å; F258-Y260 HydrophobicContact CG-CE2 4.35Å
261L92.9Very high84.1Confident0 Ų059.6 Ų59.60%033%0.331CS..EExtended strand (participates in β ladder)trans-104.4121.9173.5-174.367.3000108.1I123 L125 M218 C219 V220 C221 I238 V242I123-L261 HydrophobicContact CD1-CD1 4.14Å; I123-L261 HydrophobicContact CG1-CD1 3.98Å; L125-L261 HydrophobicContact CB-CD2 4.15Å; L125-L261 HydrophobicContact CD2-CD2 3.99Å; M218-L261 HydrophobicContact CE-CB 3.7Å; M218-L261 HydrophobicContact SD-CB 4.03Å; C219-L261 PolarHBondContact O-N 3.5Å; V220-L261 CarbonylContact C-O 3.6Å; V220-L261 VanDerWaalsContact CA-O 3.29Å; V220-L261 WeakPolarHBondContact CA-O 3.22Å; V220-L261 HydrophobicContact CB-CB 4.38Å; V220-L261 HydrophobicContact CG1-CB 4.12Å; V220-L261 HydrophobicContact CG1-CD2 4.22Å; V220-L261 HydrophobicContact CG1-CG 4.27Å; V220-L261 WeakPolarHBondContact CG1-O 3.29Å; V220-L261 HydrophobicContact CG2-CB 4.05Å; V220-L261 HydrophobicContact CG2-CD2 4.12Å; C221-L261 PolarHBondContact N-O 3.43Å; I238-L261 HydrophobicContact CB-CD2 4.05Å; I238-L261 HydrophobicContact CG2-CD2 3.56Å; I238-L261 HydrophobicContact CG2-CG 4.38Å; V242-L261 HydrophobicContact CG2-CD1 3.95Å
262K92.8Very high83.3Confident56 Ų5654.3 Ų54.324%0.24331%0.309CS..EExtended strand (participates in β ladder)trans-89.4108.8171.5-173178.4-179.4-177.40108.3F159 E223 G240 V241 N264F159-K262 HydrophobicContact CD2-CD 4.31Å; F159-K262 HydrophobicContact CE2-CB 4.5Å; F159-K262 HydrophobicContact CE2-CD 4.16Å; F159-K262 HydrophobicContact CE2-CG 4.19Å; F159-K262 HydrophobicContact CZ-CB 4.11Å; F159-K262 HydrophobicContact CZ-CD 4.47Å; F159-K262 HydrophobicContact CZ-CG 4.3Å; E223-K262 VanDerWaalsContact OE2-CE 3.22Å; E223-K262 WeakPolarHBondContact OE2-CE 3.42Å; E223-K262 IonicContact OE2-NZ 2.86Å; G240-K262 CarbonylContact C-O 3.59Å; G240-K262 WeakPolarHBondContact CA-O 3.42Å; V241-K262 PolarHBondContact N-O 3.4Å; V241-K262 PolarHBondContact O-N 2.82Å; K262-N264 PolarHBondContact O-N 3.14Å
263A93.8Very high82.5Confident3 Ų354.3 Ų54.33%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-71.2126-177.100000110.5V220 C221 I238 I266V220-A263 HydrophobicContact CG1-CB 3.84Å; C221-A263 WeakPolarHBondContact O-CB 2.95Å; C221-A263 PolarHBondContact O-N 3.14Å; I238-A263 HydrophobicContact CG2-CB 3.82Å; A263-I266 HydrophobicContact CB-CD1 4.23Å; A263-I266 HydrophobicContact CB-CG1 4.15Å
264N92.9Very high81.3Confident17 Ų1754.8 Ų54.89%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-91.6-38.1164.2-171.740.3000111.1I97 R98 L99 F122 N239 K262I97-N264 PolarHBondContact O-ND2 3.19Å; I97-N264 VanDerWaalsContact O-ND2 3.16Å; I97-N264 PolarHBondContact O-OD1 2.81Å; I97-N264 VanDerWaalsContact O-OD1 3.1Å; R98-N264 WeakPolarHBondContact CD-O 3.42Å; R98-N264 PolarHBondContact NE-O 3.39Å; R98-N264 PolarHBondContact NH1-O 3.15Å; R98-N264 PolarHBondContact NH1-OD1 3.46Å; L99-N264 PolarHBondContact N-ND2 3.36Å; F122-N264 HydrophobicContact CE2-CB 3.85Å; F122-N264 HydrophobicContact CZ-CB 4.03Å; N239-N264 WeakPolarHBondContact O-CA 3.45Å; N239-N264 PolarHBondContact O-N 3.25Å; K262-N264 PolarHBondContact O-N 3.14Å
265Y92.4Very high79.3Confident46 Ų4652.9 Ų52.918%0.1829%0.291CS..EExtended strand (participates in β ladder)trans-151150.2175.4-175-114.7000110.4I40 R98 T100 L226 N239 E267I40-Y265 HydrophobicContact CD1-CE2 4.3Å; I40-Y265 HydrophobicContact CG1-CE2 4.39Å; R98-Y265 HydrophobicContact CB-CD2 3.62Å; R98-Y265 HydrophobicContact CB-CE2 4.34Å; R98-Y265 HydrophobicContact CB-CG 4.06Å; R98-Y265 HydrophobicContact CG-CD2 4.06Å; T100-Y265 HydrophobicContact CG2-CD1 3.36Å; T100-Y265 HydrophobicContact CG2-CE1 3.15Å; T100-Y265 HydrophobicContact CG2-CG 4.26Å; L226-Y265 HydrophobicContact CD2-CD2 4.13Å; N239-Y265 PolarHBondContact N-O 3.28Å; N239-Y265 PolarHBondContact O-N 2.83Å; Y265-E267 HydrophobicContact CD1-CG 3.72Å; Y265-E267 HydrophobicContact CE1-CB 4.46Å; Y265-E267 HydrophobicContact CE1-CG 3.23Å
266I91.8Very high77.5Confident13 Ų1352 Ų527%0.06730%0.297CS..EExtended strand (participates in β ladder)trans-127.8121.3-179.8-56.9175.6000107.9I222 L226 V230 V236 V237 I238 A263I222-I266 HydrophobicContact CD1-CD1 3.5Å; I222-I266 HydrophobicContact CG1-CD1 3.84Å; I222-I266 HydrophobicContact CG2-CD1 4.37Å; L226-I266 HydrophobicContact CD1-CG1 4.5Å; V230-I266 HydrophobicContact CG2-CD1 4.26Å; V230-I266 HydrophobicContact CG2-CG2 3.82Å; V236-I266 HydrophobicContact CB-CG2 3.95Å; V236-I266 HydrophobicContact CG1-CG2 4Å; V237-I266 WeakPolarHBondContact O-CA 3.47Å; I238-I266 HydrophobicContact CG1-CG1 4.38Å; I238-I266 HydrophobicContact CG1-CG2 4.38Å; I238-I266 HydrophobicContact CG2-CG1 4.36Å; A263-I266 HydrophobicContact CB-CD1 4.23Å; A263-I266 HydrophobicContact CB-CG1 4.15Å
267E87.7Confident75.7Confident47 Ų4748.3 Ų48.322%0.2229%0.286CS..EExtended strand (participates in β ladder)trans-98.7113.5171.8-69.5172.8-169.500108.4T100 V236 V237 Y265 L269T100-E267 WeakPolarHBondContact CB-OE1 3.44Å; T100-E267 WeakPolarHBondContact CG2-OE1 3.43Å; V236-E267 CarbonylContact C-O 3.55Å; V236-E267 VanDerWaalsContact CA-O 3.28Å; V236-E267 WeakPolarHBondContact CA-O 3.47Å; V237-E267 HydrophobicContact CB-CB 4.25Å; V237-E267 PolarHBondContact N-O 2.91Å; V237-E267 PolarHBondContact O-N 2.95Å; Y265-E267 HydrophobicContact CD1-CG 3.72Å; Y265-E267 HydrophobicContact CE1-CB 4.46Å; Y265-E267 HydrophobicContact CE1-CG 3.23Å; E267-L269 PolarHBondContact O-N 2.93Å
268N84.6Confident73.9Confident15 Ų1548.9 Ų48.98%0.0830%0.296CS..EExtended strand (participates in β ladder)trans-83100175-166-31.1000109.9C229 D234 T270 E271 L272C229-N268 PolarHBondContact O-ND2 3.39Å; D234-N268 PolarHBondContact OD2-ND2 2.97Å; N268-T270 PolarHBondContact O-N 3.32Å; N268-T270 VanDerWaalsContact OD1-CB 3.3Å; N268-T270 WeakPolarHBondContact OD1-CB 3.12Å; N268-T270 PolarHBondContact OD1-N 3.14Å; N268-E271 HydrophobicContact CB-CB 4.36Å; N268-E271 HydrophobicContact CB-CG 4.41Å; N268-E271 PolarHBondContact O-N 2.96Å; N268-E271 PolarHBondContact OD1-N 3.49Å; N268-L272 WeakPolarHBondContact O-CG 3.42Å; N268-L272 PolarHBondContact O-N 3.04Å
269L78.2Confident72.3Confident30 Ų3046.2 Ų46.216%0.15729%0.288CS..Hα-helixtrans-67.7-26.6179.8-63.7-178.8000112E235 V237 E267 L272 K273E235-L269 HydrophobicContact CB-CB 4.46Å; E235-L269 HydrophobicContact CG-CB 4.47Å; E235-L269 HydrophobicContact CG-CD1 4.08Å; E235-L269 WeakPolarHBondContact O-CB 3.45Å; E235-L269 PolarHBondContact O-N 2.85Å; V237-L269 HydrophobicContact CG2-CD1 3.75Å; V237-L269 HydrophobicContact CG2-CD2 4.31Å; V237-L269 HydrophobicContact CG2-CG 4.07Å; E267-L269 PolarHBondContact O-N 2.93Å; L269-L272 HydrophobicContact CD2-CD1 4.3Å; L269-L272 PolarHBondContact O-N 2.82Å; L269-K273 WeakPolarHBondContact O-CB 3.26Å; L269-K273 VanDerWaalsContact O-CG 3.22Å; L269-K273 WeakPolarHBondContact O-CG 3.33Å; L269-K273 PolarHBondContact O-N 2.84Å
270T71.2Confident70.6Confident11 Ų1153.4 Ų53.47%0.06732%0.318CS..Hα-helixtrans-68.7-42.7-178.7-48.60000110.8E235 N268 K273 A274E235-T270 PolarHBondContact N-OG1 2.97Å; N268-T270 PolarHBondContact O-N 3.32Å; N268-T270 VanDerWaalsContact OD1-CB 3.3Å; N268-T270 WeakPolarHBondContact OD1-CB 3.12Å; N268-T270 PolarHBondContact OD1-N 3.14Å; T270-K273 PolarHBondContact O-N 3.11Å; T270-A274 WeakPolarHBondContact O-CB 3.21Å; T270-A274 PolarHBondContact O-N 2.8Å
271E64.7Low69.4Low105 Ų10554.4 Ų54.449%0.49133%0.325SS..Hα-helixtrans-69.6-39.2175.7-68.7-171.5161.400111.7N268 K273 A274 G275N268-E271 HydrophobicContact CB-CB 4.36Å; N268-E271 HydrophobicContact CB-CG 4.41Å; N268-E271 PolarHBondContact O-N 2.96Å; N268-E271 PolarHBondContact OD1-N 3.49Å; E271-K273 PolarHBondContact O-N 2.91Å; E271-A274 PolarHBondContact O-N 2.82Å; E271-G275 PolarHBondContact O-N 3.44Å
272L61.5Low68.3Low97 Ų9757.3 Ų57.351%0.50834%0.344SS..Hα-helixtrans-61.4-42.8174.5-69.2171.3000112N268 L269 G275 G277N268-L272 WeakPolarHBondContact O-CG 3.42Å; N268-L272 PolarHBondContact O-N 3.04Å; L269-L272 HydrophobicContact CD2-CD1 4.3Å; L269-L272 PolarHBondContact O-N 2.82Å; L272-G275 PolarHBondContact O-N 3.15Å; L272-G277 WeakPolarHBondContact O-CA 3.2Å; L272-G277 PolarHBondContact O-N 2.79Å
273K61.5Low67.4Low90 Ų9061.5 Ų61.539%0.39137%0.365SS..Hα-helixtrans-64.4-41174.2-74.2170.8-179.4176.10111.9E235 L269 T270 E271 G275 G276E235-K273 IonicContact OE2-NZ 3.33Å; E235-K273 PolarHBondContact OE2-NZ 3Å; L269-K273 WeakPolarHBondContact O-CB 3.26Å; L269-K273 VanDerWaalsContact O-CG 3.22Å; L269-K273 WeakPolarHBondContact O-CG 3.33Å; L269-K273 PolarHBondContact O-N 2.84Å; T270-K273 PolarHBondContact O-N 3.11Å; E271-K273 PolarHBondContact O-N 2.91Å; K273-G275 VanDerWaalsContact C-N 3.33Å; K273-G276 PolarHBondContact O-N 2.58Å
274A52.8Low66.7Low64 Ų6468.4 Ų68.453%0.52940%0.397SS..Hα-helixtrans-69.9-29.8178.600000112.9T270 E271 G276T270-A274 WeakPolarHBondContact O-CB 3.21Å; T270-A274 PolarHBondContact O-N 2.8Å; E271-A274 PolarHBondContact O-N 2.82Å; A274-G276 VanDerWaalsContact C-N 3.3Å; A274-G276 PolarHBondContact O-N 3.43Å
275G36.6Very low66.1Low70 Ų7070.9 Ų70.972%0.72241%0.405SS*.THydrogen-bonded Turntrans-836.7178.500000115.4E271 L272 K273 G277E271-G275 PolarHBondContact O-N 3.44Å; L272-G275 PolarHBondContact O-N 3.15Å; K273-G275 VanDerWaalsContact C-N 3.33Å; G275-G277 VanDerWaalsContact C-N 3.33Å
276G39.6Very low65.5Low68 Ų6869.4 Ų69.470%0.70140%0.402SS*.THydrogen-bonded Turntrans7420.6-177.600000114.2K273 A274K273-G276 PolarHBondContact O-N 2.58Å; A274-G276 VanDerWaalsContact C-N 3.3Å; A274-G276 PolarHBondContact O-N 3.43Å
277G41.8Very low65.2Low23 Ų2372.3 Ų72.324%0.23742%0.417CS..PPolyproline II helixtrans-65.3141.2169.600000110.6L272 G275 S279L272-G277 WeakPolarHBondContact O-CA 3.2Å; L272-G277 PolarHBondContact O-N 2.79Å; G275-G277 VanDerWaalsContact C-N 3.33Å; G277-S279 PolarHBondContact O-N 2.89Å
278P46.2Very low65Low119 Ų11974.9 Ų74.977%0.77343%0.429SS*.PPolyproline II helixtrans-65.1119.4-179.326.6-32.7000109.5H280P278-H280 PolarHBondContact O-N 2.84Å
279S53.7Low65Low28 Ų2874.5 Ų74.520%0.19643%0.427CS..PPolyproline II helixtrans-58.2139.6161.2-54.60000107.7G277 I281 D551G277-S279 PolarHBondContact O-N 2.89Å; S279-I281 PolarHBondContact O-N 3.2Å; S279-D551 WeakPolarHBondContact CB-OD2 3.41Å; S279-D551 PolarHBondContact N-OD2 2.86Å; S279-D551 VanDerWaalsContact N-OD2 3.11Å; S279-D551 PolarHBondContact OG-OD2 3.32Å
280H55.4Low65.3Low198 Ų19875.6 Ų75.692%0.91743%0.431SS*.  trans-66.372.1-179.4-71.5-86.2000111.6P278P278-H280 PolarHBondContact O-N 2.84Å
281I65.9Low66.1Low43 Ų4379 Ų7922%0.22145%0.451CS..  trans-90.5133.6159.8-141168.3000107.4S279 H283 R285 A286 F289 E544 W548S279-I281 PolarHBondContact O-N 3.2Å; I281-H283 PolarHBondContact O-N 3.09Å; I281-R285 HydrophobicContact CG1-CB 4.43Å; I281-A286 HydrophobicContact CG2-CB 4.16Å; I281-F289 HydrophobicContact CD1-CE2 4Å; I281-E544 HydrophobicContact CD1-CB 4.01Å; I281-E544 VanDerWaalsContact CD1-O 3.24Å; I281-E544 WeakPolarHBondContact CD1-O 3.37Å; I281-W548 HydrophobicContact CD1-CB 3.64Å; I281-W548 HydrophobicContact CD1-CG 4.29Å
282S68.6Low67.1Low60 Ų6075.4 Ų75.442%0.4243%0.434SS..  trans-62.9138.8174.9620000109E284 R285 A286S282-E284 PolarHBondContact O-N 3.09Å; S282-E284 VanDerWaalsContact O-N 3.13Å; S282-R285 PolarHBondContact O-N 3.3Å; S282-R285 VanDerWaalsContact O-N 3.08Å; S282-R285 VanDerWaalsContact OG-CG 3.26Å; S282-R285 WeakPolarHBondContact OG-CG 3.4Å; S282-A286 PolarHBondContact O-N 2.85Å; S282-A286 VanDerWaalsContact O-N 3.15Å
283H74.2Confident68.2Low144 Ų14471.8 Ų71.867%0.66741%0.414SS*.Hα-helixtrans-56-31177.4-176-64.7000111.4I281 A286 L287I281-H283 PolarHBondContact O-N 3.09Å; H283-A286 PolarHBondContact O-N 3.48Å; H283-L287 VanDerWaalsContact CE1-CD1 3.48Å; H283-L287 WeakPolarHBondContact CE1-CD1 3.42Å; H283-L287 WeakPolarHBondContact ND1-CD1 3.5Å; H283-L287 WeakPolarHBondContact O-CG 3.36Å; H283-L287 PolarHBondContact O-N 2.82Å
284E79.6Confident69.3Low149 Ų14972.9 Ų72.970%0.69642%0.424SS*.Hα-helixtrans-60.9-47.5175.9-63.9179.7171.600112.1S282 L287 E288S282-E284 PolarHBondContact O-N 3.09Å; S282-E284 VanDerWaalsContact O-N 3.13Å; E284-L287 WeakPolarHBondContact O-CB 3.34Å; E284-L287 PolarHBondContact O-N 2.91Å; E284-E288 PolarHBondContact O-N 3.42Å
285R79.5Confident70.6Confident69 Ų6977 Ų7726%0.2643%0.43SS..Hα-helixtrans-66.9-39.7177.5-69.3-58.4-156149.921.4112.4I281 S282 L287 E288 F289 D541 E544I281-R285 HydrophobicContact CG1-CB 4.43Å; S282-R285 PolarHBondContact O-N 3.3Å; S282-R285 VanDerWaalsContact O-N 3.08Å; S282-R285 VanDerWaalsContact OG-CG 3.26Å; S282-R285 WeakPolarHBondContact OG-CG 3.4Å; R285-L287 VanDerWaalsContact C-N 3.27Å; R285-L287 PolarHBondContact O-N 2.87Å; R285-E288 WeakPolarHBondContact CD-OE2 3.37Å; R285-E288 IonicContact CZ-OE2 2.78Å; R285-E288 IonicContact NE-OE2 3.48Å; R285-E288 IonicContact NH1-OE2 3.66Å; R285-E288 PolarHBondContact NH1-OE2 2.63Å; R285-E288 WeakPolarHBondContact O-CB 3.43Å; R285-E288 PolarHBondContact O-N 3.36Å; R285-E288 VanDerWaalsContact O-N 3.13Å; R285-F289 HydrophobicContact CB-CE2 4.35Å; R285-F289 WeakPolarHBondContact O-CD2 3.38Å; R285-F289 WeakPolarHBondContact O-CG 3.2Å; R285-F289 PolarHBondContact O-N 2.69Å; R285-F289 VanDerWaalsContact O-N 3.11Å; R285-D541 IonicContact CZ-OD1 3.97Å; R285-D541 IonicContact NH1-OD1 3.02Å; R285-D541 PolarHBondContact NH1-OD1 2.59Å; R285-D541 VanDerWaalsContact NH1-OD1 3.16Å; R285-D541 IonicContact NH2-OD1 3.95Å; R285-D541 PolarHBondContact NH2-OD1 3.07Å; R285-E544 IonicContact NE-OE2 3.61Å
286A80.8Confident72.7Confident14 Ų1475.5 Ų75.512%0.11640%0.403CS..Hα-helixtrans-57.7-42173.500000111.7I281 S282 H283 F289 E290I281-A286 HydrophobicContact CG2-CB 4.16Å; S282-A286 PolarHBondContact O-N 2.85Å; S282-A286 VanDerWaalsContact O-N 3.15Å; H283-A286 PolarHBondContact O-N 3.48Å; A286-F289 PolarHBondContact O-N 3.48Å; A286-E290 WeakPolarHBondContact O-CG 3.43Å; A286-E290 PolarHBondContact O-N 3.1Å
287L84.4Confident74.3Confident75 Ų7577.6 Ų77.639%0.39340%0.402SS..Hα-helixtrans-64.6-39.3174.9-73.2172.3000112.4H283 E284 R285 F289 E290 V291H283-L287 VanDerWaalsContact CE1-CD1 3.48Å; H283-L287 WeakPolarHBondContact CE1-CD1 3.42Å; H283-L287 WeakPolarHBondContact ND1-CD1 3.5Å; H283-L287 WeakPolarHBondContact O-CG 3.36Å; H283-L287 PolarHBondContact O-N 2.82Å; E284-L287 WeakPolarHBondContact O-CB 3.34Å; E284-L287 PolarHBondContact O-N 2.91Å; R285-L287 VanDerWaalsContact C-N 3.27Å; R285-L287 PolarHBondContact O-N 2.87Å; L287-F289 VanDerWaalsContact C-N 3.31Å; L287-F289 PolarHBondContact O-N 2.76Å; L287-E290 PolarHBondContact O-N 2.68Å; L287-V291 WeakPolarHBondContact O-CB 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 3.43Å
288E84.3Confident76.2Confident100 Ų10081.9 Ų81.947%0.46742%0.419SS..Hα-helixtrans-58.4-44.2175.6-70.5176.2177.400111.5E284 R285 V291 F292E284-E288 PolarHBondContact O-N 3.42Å; R285-E288 WeakPolarHBondContact CD-OE2 3.37Å; R285-E288 IonicContact CZ-OE2 2.78Å; R285-E288 IonicContact NE-OE2 3.48Å; R285-E288 IonicContact NH1-OE2 3.66Å; R285-E288 PolarHBondContact NH1-OE2 2.63Å; R285-E288 WeakPolarHBondContact O-CB 3.43Å; R285-E288 PolarHBondContact O-N 3.36Å; R285-E288 VanDerWaalsContact O-N 3.13Å; E288-V291 PolarHBondContact O-N 3.36Å; E288-F292 PolarHBondContact O-N 3.24Å
289F85.4Confident77.7Confident7 Ų777 Ų773%0.03139%0.386CS..Hα-helixtrans-66.6-40.1176.9-59.2-44.9000112.5I281 R285 A286 L287 F292 W293 W537 E544 Y545 W548I281-F289 HydrophobicContact CD1-CE2 4Å; R285-F289 HydrophobicContact CB-CE2 4.35Å; R285-F289 WeakPolarHBondContact O-CD2 3.38Å; R285-F289 WeakPolarHBondContact O-CG 3.2Å; R285-F289 PolarHBondContact O-N 2.69Å; R285-F289 VanDerWaalsContact O-N 3.11Å; A286-F289 PolarHBondContact O-N 3.48Å; L287-F289 VanDerWaalsContact C-N 3.31Å; L287-F289 PolarHBondContact O-N 2.76Å; F289-F292 WeakPolarHBondContact O-CB 3.48Å; F289-F292 PolarHBondContact O-N 2.89Å; F289-W293 VanDerWaalsContact O-CD1 3.29Å; F289-W293 PolarHBondContact O-N 3.02Å; F289-W293 VanDerWaalsContact O-N 3.08Å; F289-W537 AromaticContact CD1-CH2 3.57Å; F289-W537 HydrophobicContact CD1-CH2 3.57Å; F289-W537 AromaticContact CD1-CZ3 3.66Å; F289-W537 HydrophobicContact CD1-CZ3 3.66Å; F289-W537 HydrophobicContact CE1-CE3 4.21Å; F289-W537 AromaticContact CE1-CH2 3.86Å; F289-W537 HydrophobicContact CE1-CH2 3.86Å; F289-W537 AromaticContact CE1-CZ3 3.47Å; F289-W537 HydrophobicContact CE1-CZ3 3.47Å; F289-W537 VanDerWaalsContact CE1-CZ3 3.47Å; F289-E544 HydrophobicContact CE2-CB 4.28Å; F289-E544 HydrophobicContact CZ-CB 4.11Å; F289-Y545 HydrophobicContact CB-CD2 4.42Å; F289-Y545 AromaticContact CD1-CD2 3.91Å; F289-Y545 HydrophobicContact CD1-CD2 3.91Å; F289-Y545 HydrophobicContact CD2-CD2 4.41Å; F289-Y545 HydrophobicContact CE1-CD2 4.26Å; F289-Y545 HydrophobicContact CG-CD2 4Å; F289-W548 HydrophobicContact CB-CD2 4.38Å; F289-W548 HydrophobicContact CB-CE3 3.96Å; F289-W548 HydrophobicContact CB-CH2 3.81Å; F289-W548 HydrophobicContact CB-CZ2 4.2Å; F289-W548 HydrophobicContact CB-CZ3 3.68Å; F289-W548 HydrophobicContact CD2-CB 4.46Å; F289-W548 HydrophobicContact CD2-CD2 4.11Å; F289-W548 HydrophobicContact CD2-CE3 4.16Å; F289-W548 HydrophobicContact CD2-CG 4.26Å; F289-W548 HydrophobicContact CG-CE3 4.34Å; F289-W548 HydrophobicContact CG-CZ3 4.5Å
290E84.9Confident78.9Confident54 Ų5478.5 Ų78.525%0.25240%0.397SS..Hα-helixtrans-61.6-45.9172.6-71.6-177.817800111.8A286 L287 F292 W293 N294 W548 R552A286-E290 WeakPolarHBondContact O-CG 3.43Å; A286-E290 PolarHBondContact O-N 3.1Å; L287-E290 PolarHBondContact O-N 2.68Å; E290-F292 PolarHBondContact O-N 2.72Å; E290-W293 PolarHBondContact O-N 3.38Å; E290-N294 WeakPolarHBondContact O-CB 3.49Å; E290-N294 PolarHBondContact O-N 3.15Å; E290-N294 PolarHBondContact O-ND2 3.13Å; E290-W548 HydrophobicContact CG-CH2 4.21Å; E290-W548 HydrophobicContact CG-CZ2 3.83Å; E290-R552 IonicContact OE1-CZ 3.25Å; E290-R552 IonicContact OE1-NH1 2.58Å; E290-R552 PolarHBondContact OE1-NH1 3.31Å; E290-R552 IonicContact OE1-NH2 3.6Å; E290-R552 PolarHBondContact OE1-NH2 3.47Å
291V86.8Confident80.2Confident81 Ų8170.3 Ų70.349%0.49136%0.362SS..Hα-helixtrans-61.5-36.8178.11700000110.8L287 E288L287-V291 WeakPolarHBondContact O-CB 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 3.43Å; E288-V291 PolarHBondContact O-N 3.36Å
292F85Confident81.1Confident30 Ų3068.5 Ų68.513%0.13235%0.353CS..Hα-helixtrans-61.4-51173.6179-96.3000111.7E288 F289 E290 N294 K295 Y296 W537E288-F292 PolarHBondContact O-N 3.24Å; F289-F292 WeakPolarHBondContact O-CB 3.48Å; F289-F292 PolarHBondContact O-N 2.89Å; E290-F292 PolarHBondContact O-N 2.72Å; F292-N294 VanDerWaalsContact C-N 3.34Å; F292-N294 PolarHBondContact O-N 3.08Å; F292-K295 WeakPolarHBondContact O-CB 3.34Å; F292-K295 PolarHBondContact O-N 2.93Å; F292-Y296 HydrophobicContact CD1-CD2 4.47Å; F292-Y296 HydrophobicContact CD1-CE2 4.43Å; F292-Y296 HydrophobicContact CD2-CE2 4.38Å; F292-Y296 HydrophobicContact CE1-CD2 4.18Å; F292-Y296 AromaticContact CE1-CE2 3.94Å; F292-Y296 HydrophobicContact CE1-CE2 3.94Å; F292-Y296 AromaticContact CE2-CE2 3.88Å; F292-Y296 HydrophobicContact CE2-CE2 3.88Å; F292-Y296 HydrophobicContact CZ-CD2 4.35Å; F292-Y296 AromaticContact CZ-CE2 3.64Å; F292-Y296 HydrophobicContact CZ-CE2 3.64Å; F292-Y296 VanDerWaalsContact O-CD2 3.32Å; F292-Y296 WeakPolarHBondContact O-CD2 3.22Å; F292-W537 HydrophobicContact CB-CZ2 4.45Å; F292-W537 HydrophobicContact CD1-CH2 4.22Å; F292-W537 AromaticContact CD1-CZ2 3.73Å; F292-W537 HydrophobicContact CD1-CZ2 3.73Å; F292-W537 AromaticContact CD2-CZ2 3.89Å; F292-W537 HydrophobicContact CD2-CZ2 3.89Å; F292-W537 HydrophobicContact CE1-CH2 4.49Å; F292-W537 AromaticContact CE1-CZ2 3.83Å; F292-W537 HydrophobicContact CE1-CZ2 3.83Å; F292-W537 AromaticContact CE2-CZ2 3.98Å; F292-W537 HydrophobicContact CE2-CZ2 3.98Å; F292-W537 HydrophobicContact CG-CH2 4.46Å; F292-W537 AromaticContact CG-CZ2 3.76Å; F292-W537 HydrophobicContact CG-CZ2 3.76Å; F292-W537 AromaticContact CZ-CZ2 3.94Å; F292-W537 HydrophobicContact CZ-CZ2 3.94Å
293W86Confident81.9Confident22 Ų2265.7 Ų65.78%0.08333%0.333CS..Hα-helixtrans-71.6-26.1-179.8-75.5110.1000113.8F289 E290 K295 Y296 A302 L309 Y545 L609 M610 C611F289-W293 VanDerWaalsContact O-CD1 3.29Å; F289-W293 PolarHBondContact O-N 3.02Å; F289-W293 VanDerWaalsContact O-N 3.08Å; E290-W293 PolarHBondContact O-N 3.38Å; W293-K295 PolarHBondContact O-N 3.03Å; W293-Y296 CarbonylContact O-C 3.53Å; W293-Y296 WeakPolarHBondContact O-CA 3.34Å; W293-Y296 PolarHBondContact O-N 3.46Å; W293-A302 HydrophobicContact CZ3-CB 4.05Å; W293-L309 HydrophobicContact CH2-CD1 4.39Å; W293-L309 HydrophobicContact CZ2-CD1 3.75Å; W293-Y545 VanDerWaalsContact CE2-OH 3.25Å; W293-Y545 WeakPolarHBondContact CZ2-OH 3.47Å; W293-Y545 AromaticContact NE1-CE2 3.47Å; W293-Y545 AromaticContact NE1-CZ 3.56Å; W293-Y545 PolarHBondContact NE1-OH 3.48Å; W293-L609 WeakPolarHBondContact CZ2-O 3.5Å; W293-M610 HydrophobicContact CH2-SD 3.57Å; W293-M610 VanDerWaalsContact CH2-SD 3.57Å; W293-M610 HydrophobicContact CZ3-SD 3.88Å; W293-C611 HydrophobicContact CG-CB 4.29Å; W293-C611 PolarHBondContact NE1-SG 3.07Å; W293-C611 VanDerWaalsContact NE1-SG 3.36Å
294N83.1Confident82.5Confident113 Ų11363.6 Ų63.660%0.60432%0.324SS*.Hα-helixtrans-63.5-22.4172.7-74.9-25.4000112.9E290 F292 Y296 T297E290-N294 WeakPolarHBondContact O-CB 3.49Å; E290-N294 PolarHBondContact O-N 3.15Å; E290-N294 PolarHBondContact O-ND2 3.13Å; F292-N294 VanDerWaalsContact C-N 3.34Å; F292-N294 PolarHBondContact O-N 3.08Å; N294-Y296 PolarHBondContact O-N 3.18Å; N294-T297 WeakPolarHBondContact O-CG2 3.2Å
295K81.6Confident82.8Confident149 Ų14956.5 Ų56.565%0.64829%0.291SS*.THydrogen-bonded Turntrans-70.4-23.3170.9-62.4175.3-175.5177.70112.2F292 W293F292-K295 WeakPolarHBondContact O-CB 3.34Å; F292-K295 PolarHBondContact O-N 2.93Å; W293-K295 PolarHBondContact O-N 3.03Å
296Y79.3Confident83.3Confident40 Ų4053.7 Ų53.716%0.15728%0.28CS..  trans-116.260.3-171.2-60.7-66.8000111.7F292 W293 N294 S301 E304 I308F292-Y296 HydrophobicContact CD1-CD2 4.47Å; F292-Y296 HydrophobicContact CD1-CE2 4.43Å; F292-Y296 HydrophobicContact CD2-CE2 4.38Å; F292-Y296 HydrophobicContact CE1-CD2 4.18Å; F292-Y296 AromaticContact CE1-CE2 3.94Å; F292-Y296 HydrophobicContact CE1-CE2 3.94Å; F292-Y296 AromaticContact CE2-CE2 3.88Å; F292-Y296 HydrophobicContact CE2-CE2 3.88Å; F292-Y296 HydrophobicContact CZ-CD2 4.35Å; F292-Y296 AromaticContact CZ-CE2 3.64Å; F292-Y296 HydrophobicContact CZ-CE2 3.64Å; F292-Y296 VanDerWaalsContact O-CD2 3.32Å; F292-Y296 WeakPolarHBondContact O-CD2 3.22Å; W293-Y296 CarbonylContact O-C 3.53Å; W293-Y296 WeakPolarHBondContact O-CA 3.34Å; W293-Y296 PolarHBondContact O-N 3.46Å; N294-Y296 PolarHBondContact O-N 3.18Å; Y296-S301 VanDerWaalsContact C-OG 3.3Å; Y296-S301 VanDerWaalsContact CA-OG 3.26Å; Y296-S301 WeakPolarHBondContact CA-OG 3.07Å; Y296-S301 WeakPolarHBondContact CD1-O 3.21Å; Y296-E304 HydrophobicContact CE1-CB 4.28Å; Y296-I308 WeakPolarHBondContact OH-CD1 3.28Å
297T74.9Confident83.7Confident111 Ų11153.2 Ų53.268%0.68128%0.276SS*.  trans-69.7-35.1-177.453.80000113.4N294N294-T297 WeakPolarHBondContact O-CG2 3.2Å
298N80.5Confident83.9Confident113 Ų11350.6 Ų50.660%0.60426%0.262SS*.SBendtrans-86.3146.5-179.4-65-30.8000110.7S300 S301 A302N298-S300 VanDerWaalsContact C-N 3.31Å; N298-S300 PolarHBondContact O-N 2.89Å; N298-S301 PolarHBondContact N-OG 2.83Å; N298-S301 WeakPolarHBondContact O-CA 3.23Å; N298-S301 PolarHBondContact O-N 2.97Å; N298-S301 PolarHBondContact O-OG 3.37Å; N298-A302 PolarHBondContact O-N 3.14Å
299F79.1Confident84.1Confident17 Ų1746 Ų468%0.07524%0.24CC..Hα-helixtrans-55.7-44.4178.1-179.8-118.4000113.5S301 A302 L303 R612 E618 Y671F299-S301 PolarHBondContact O-N 3.36Å; F299-S301 VanDerWaalsContact O-N 3.16Å; F299-A302 WeakPolarHBondContact O-CB 3.27Å; F299-A302 PolarHBondContact O-N 3.05Å; F299-L303 HydrophobicContact CD1-CD1 4.2Å; F299-L303 HydrophobicContact CD1-CG 4.46Å; F299-L303 HydrophobicContact CE1-CD1 3.81Å; F299-L303 HydrophobicContact CE1-CD2 4.22Å; F299-L303 HydrophobicContact CE1-CG 4.13Å; F299-L303 HydrophobicContact CE2-CD2 4.1Å; F299-L303 HydrophobicContact CE2-CG 4.4Å; F299-L303 HydrophobicContact CZ-CD1 4.27Å; F299-L303 HydrophobicContact CZ-CD2 3.81Å; F299-L303 HydrophobicContact CZ-CG 4.16Å; F299-L303 WeakPolarHBondContact O-CG 3.32Å; F299-L303 PolarHBondContact O-N 3.17Å; F299-R612 VanDerWaalsContact CB-NH2 3.33Å; F299-E618 WeakPolarHBondContact CB-OE2 3.3Å; F299-E618 HydrophobicContact CD1-CB 3.92Å; F299-E618 HydrophobicContact CD1-CG 4.07Å; F299-E618 VanDerWaalsContact CD1-OE1 3.32Å; F299-E618 WeakPolarHBondContact CD1-OE1 3.42Å; F299-E618 WeakPolarHBondContact CD1-OE2 3.36Å; F299-E618 HydrophobicContact CD2-CB 4.41Å; F299-E618 VanDerWaalsContact CD2-OE2 3.26Å; F299-E618 WeakPolarHBondContact CD2-OE2 3.5Å; F299-E618 HydrophobicContact CE1-CB 3.42Å; F299-E618 VanDerWaalsContact CE1-CB 3.42Å; F299-E618 HydrophobicContact CE1-CG 4.04Å; F299-E618 HydrophobicContact CE2-CB 3.87Å; F299-E618 HydrophobicContact CG-CB 4.38Å; F299-E618 VanDerWaalsContact CG-CD 3.41Å; F299-E618 WeakPolarHBondContact CG-OE2 3.48Å; F299-E618 HydrophobicContact CZ-CB 3.33Å; F299-E618 HydrophobicContact CZ-CG 4.35Å; F299-Y671 HydrophobicContact CD1-CE1 4.49Å; F299-Y671 HydrophobicContact CE1-CD1 4.17Å; F299-Y671 AromaticContact CE1-CD2 3.78Å; F299-Y671 HydrophobicContact CE1-CD2 3.78Å; F299-Y671 HydrophobicContact CE1-CE1 4.01Å; F299-Y671 AromaticContact CE1-CE2 3.59Å; F299-Y671 HydrophobicContact CE1-CE2 3.59Å; F299-Y671 HydrophobicContact CE1-CG 4.07Å; F299-Y671 AromaticContact CE1-CZ 3.72Å; F299-Y671 HydrophobicContact CZ-CD2 4.31Å; F299-Y671 HydrophobicContact CZ-CE2 4.04Å
300S78.9Confident84.4Confident60 Ų6045.7 Ų45.742%0.4224%0.239SC..Hα-helixtrans-55.7-35.4177.2-179.90000112.5N298 S668N298-S300 VanDerWaalsContact C-N 3.31Å; N298-S300 PolarHBondContact O-N 2.89Å; S300-S668 VanDerWaalsContact OG-CB 3.27Å; S300-S668 WeakPolarHBondContact OG-CB 3.36Å
301S82Confident84.6Confident26 Ų2648.8 Ų48.818%0.18225%0.249CC..Hα-helixtrans-81.7-34.3178.772.60000111.1Y296 N298 F299 L303 E304 G305Y296-S301 VanDerWaalsContact C-OG 3.3Å; Y296-S301 VanDerWaalsContact CA-OG 3.26Å; Y296-S301 WeakPolarHBondContact CA-OG 3.07Å; Y296-S301 WeakPolarHBondContact CD1-O 3.21Å; N298-S301 PolarHBondContact N-OG 2.83Å; N298-S301 WeakPolarHBondContact O-CA 3.23Å; N298-S301 PolarHBondContact O-N 2.97Å; N298-S301 PolarHBondContact O-OG 3.37Å; F299-S301 PolarHBondContact O-N 3.36Å; F299-S301 VanDerWaalsContact O-N 3.16Å; S301-L303 VanDerWaalsContact C-N 3.25Å; S301-L303 PolarHBondContact O-N 3.04Å; S301-E304 VanDerWaalsContact O-CB 3.28Å; S301-E304 WeakPolarHBondContact O-CB 3.38Å; S301-E304 PolarHBondContact O-N 3.05Å; S301-G305 PolarHBondContact O-N 2.88Å; S301-G305 VanDerWaalsContact O-N 3.16Å
302A85Confident84.6Confident4 Ų445.2 Ų45.23%0.03323%0.227CC..Hα-helixtrans-61.1-33.7173.600000112.4W293 N298 F299 E304 G305 R306 M610W293-A302 HydrophobicContact CZ3-CB 4.05Å; N298-A302 PolarHBondContact O-N 3.14Å; F299-A302 WeakPolarHBondContact O-CB 3.27Å; F299-A302 PolarHBondContact O-N 3.05Å; A302-E304 VanDerWaalsContact C-N 3.28Å; A302-E304 PolarHBondContact O-N 2.87Å; A302-G305 PolarHBondContact O-N 2.84Å; A302-R306 PolarHBondContact O-N 2.8Å; A302-M610 HydrophobicContact CB-SD 4.17Å
303L85.8Confident84.7Confident2 Ų243.9 Ų43.91%0.0122%0.221CC..Hα-helixtrans-63-32.8173-64.5172.6000113F299 S301 N307 M610 P667 Y671F299-L303 HydrophobicContact CD1-CD1 4.2Å; F299-L303 HydrophobicContact CD1-CG 4.46Å; F299-L303 HydrophobicContact CE1-CD1 3.81Å; F299-L303 HydrophobicContact CE1-CD2 4.22Å; F299-L303 HydrophobicContact CE1-CG 4.13Å; F299-L303 HydrophobicContact CE2-CD2 4.1Å; F299-L303 HydrophobicContact CE2-CG 4.4Å; F299-L303 HydrophobicContact CZ-CD1 4.27Å; F299-L303 HydrophobicContact CZ-CD2 3.81Å; F299-L303 HydrophobicContact CZ-CG 4.16Å; F299-L303 WeakPolarHBondContact O-CG 3.32Å; F299-L303 PolarHBondContact O-N 3.17Å; S301-L303 VanDerWaalsContact C-N 3.25Å; S301-L303 PolarHBondContact O-N 3.04Å; L303-N307 VanDerWaalsContact O-CG 3.26Å; L303-N307 PolarHBondContact O-N 2.81Å; L303-N307 PolarHBondContact O-OD1 2.7Å; L303-M610 HydrophobicContact CD2-CE 3.83Å; L303-P667 HydrophobicContact CB-CB 3.65Å; L303-P667 HydrophobicContact CB-CG 4.12Å; L303-P667 HydrophobicContact CD1-CB 4.4Å; L303-Y671 HydrophobicContact CD1-CD2 4.41Å; L303-Y671 HydrophobicContact CD1-CG 4.1Å
304E85.7Confident84.7Confident100 Ų10043.2 Ų43.247%0.46722%0.22SC..Hα-helixtrans-69-46.4173.8-169-177.3171.500110.7Y296 S301 A302 R306 N307 I308 P667Y296-E304 HydrophobicContact CE1-CB 4.28Å; S301-E304 VanDerWaalsContact O-CB 3.28Å; S301-E304 WeakPolarHBondContact O-CB 3.38Å; S301-E304 PolarHBondContact O-N 3.05Å; A302-E304 VanDerWaalsContact C-N 3.28Å; A302-E304 PolarHBondContact O-N 2.87Å; E304-R306 VanDerWaalsContact C-N 3.3Å; E304-R306 PolarHBondContact O-N 3.4Å; E304-N307 PolarHBondContact O-N 2.81Å; E304-I308 WeakPolarHBondContact O-CG1 3.28Å; E304-I308 PolarHBondContact O-N 3.22Å; E304-P667 HydrophobicContact CB-CG 4.2Å
305G86.4Confident84.8Confident0 Ų040.8 Ų40.80%021%0.21CC..Hα-helixtrans-54.6-44.6172.600000112.5S301 A302 N307 I308 L309S301-G305 PolarHBondContact O-N 2.88Å; S301-G305 VanDerWaalsContact O-N 3.16Å; A302-G305 PolarHBondContact O-N 2.84Å; G305-N307 PolarHBondContact O-N 2.71Å; G305-I308 WeakPolarHBondContact O-CB 3.35Å; G305-I308 PolarHBondContact O-N 3.5Å; G305-L309 PolarHBondContact O-N 2.83Å; G305-L309 VanDerWaalsContact O-N 3.15Å
306R89.7Confident84.9Confident9 Ų938.4 Ų38.43%0.03420%0.202CC..Hα-helixtrans-59.5-46.6172.1179.7-161.663.7-179.5-7.7112.1A302 E304 I308 L309 L310 Y321 L609 M610A302-R306 PolarHBondContact O-N 2.8Å; E304-R306 VanDerWaalsContact C-N 3.3Å; E304-R306 PolarHBondContact O-N 3.4Å; R306-I308 PolarHBondContact O-N 2.82Å; R306-L309 WeakPolarHBondContact O-CB 3.17Å; R306-L309 PolarHBondContact O-N 3.18Å; R306-L309 VanDerWaalsContact O-N 3.1Å; R306-L310 HydrophobicContact CG-CD1 4.02Å; R306-L310 HydrophobicContact CG-CG 4.27Å; R306-L310 VanDerWaalsContact O-CG 3.3Å; R306-L310 WeakPolarHBondContact O-CG 3.24Å; R306-L310 PolarHBondContact O-N 2.88Å; R306-Y321 PolarHBondContact NH2-OH 3.02Å; R306-L609 HydrophobicContact CG-CD2 4.12Å; R306-M610 HydrophobicContact CB-CE 3.46Å; R306-M610 VanDerWaalsContact CB-CE 3.46Å; R306-M610 HydrophobicContact CB-SD 3.75Å; R306-M610 HydrophobicContact CG-CE 3.96Å; R306-M610 HydrophobicContact CG-SD 4.44Å
307N89Confident85.3Confident5 Ų537 Ų373%0.02720%0.197CC..Hα-helixtrans-63.2-32.5-178.5-75.44000112L303 E304 G305 L310 R311 I663 P664L303-N307 VanDerWaalsContact O-CG 3.26Å; L303-N307 PolarHBondContact O-N 2.81Å; L303-N307 PolarHBondContact O-OD1 2.7Å; E304-N307 PolarHBondContact O-N 2.81Å; G305-N307 PolarHBondContact O-N 2.71Å; N307-L310 PolarHBondContact O-N 3.28Å; N307-R311 WeakPolarHBondContact O-CG 3.4Å; N307-R311 PolarHBondContact O-N 2.85Å; N307-I663 HydrophobicContact CB-CG2 3.74Å; N307-P664 PolarHBondContact ND2-O 3.37Å
308I88.2Confident85.7Confident19 Ų1935 Ų3510%0.09718%0.177CC..Hα-helixtrans-63.2-47.6171.3-65.3165.3000110.5Y296 E304 G305 R306 L310 R311 S312 H535Y296-I308 WeakPolarHBondContact OH-CD1 3.28Å; E304-I308 WeakPolarHBondContact O-CG1 3.28Å; E304-I308 PolarHBondContact O-N 3.22Å; G305-I308 WeakPolarHBondContact O-CB 3.35Å; G305-I308 PolarHBondContact O-N 3.5Å; R306-I308 PolarHBondContact O-N 2.82Å; I308-L310 VanDerWaalsContact C-N 3.31Å; I308-L310 PolarHBondContact O-N 3.32Å; I308-R311 WeakPolarHBondContact O-CB 3.19Å; I308-R311 PolarHBondContact O-N 2.66Å; I308-S312 PolarHBondContact O-N 3.43Å; I308-H535 WeakPolarHBondContact CG2-O 3.27Å
309L89.7Confident85.8Confident4 Ų430 Ų302%0.02115%0.153CC..Hα-helixtrans-58.7-43.3174.9-66.6171.3000111.5W293 G305 R306 R311 S312 I313 W537 L542 Y545W293-L309 HydrophobicContact CH2-CD1 4.39Å; W293-L309 HydrophobicContact CZ2-CD1 3.75Å; G305-L309 PolarHBondContact O-N 2.83Å; G305-L309 VanDerWaalsContact O-N 3.15Å; R306-L309 WeakPolarHBondContact O-CB 3.17Å; R306-L309 PolarHBondContact O-N 3.18Å; R306-L309 VanDerWaalsContact O-N 3.1Å; L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 2.77Å; L309-S312 PolarHBondContact O-N 3.32Å; L309-S312 VanDerWaalsContact O-N 3.07Å; L309-S312 PolarHBondContact O-OG 3.14Å; L309-I313 WeakPolarHBondContact O-CG1 3.08Å; L309-I313 PolarHBondContact O-N 3.37Å; L309-I313 VanDerWaalsContact O-N 3.12Å; L309-W537 HydrophobicContact CD2-CD2 3.81Å; L309-W537 HydrophobicContact CD2-CE3 3.69Å; L309-W537 HydrophobicContact CD2-CH2 3.83Å; L309-W537 HydrophobicContact CD2-CZ2 3.96Å; L309-W537 HydrophobicContact CD2-CZ3 3.7Å; L309-L542 HydrophobicContact CD2-CD2 4.01Å; L309-Y545 HydrophobicContact CD1-CD1 4.46Å; L309-Y545 HydrophobicContact CD1-CE1 3.53Å; L309-Y545 HydrophobicContact CD2-CD1 4.25Å; L309-Y545 HydrophobicContact CD2-CE1 4.09Å; L309-Y545 HydrophobicContact CG-CE1 4.46Å
310L90.8Very high86.1Confident0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-65.4-32.6178.5-64175.1000113.4R306 N307 I308 S312 I313 Y321 L325 A328 I663R306-L310 HydrophobicContact CG-CD1 4.02Å; R306-L310 HydrophobicContact CG-CG 4.27Å; R306-L310 VanDerWaalsContact O-CG 3.3Å; R306-L310 WeakPolarHBondContact O-CG 3.24Å; R306-L310 PolarHBondContact O-N 2.88Å; N307-L310 PolarHBondContact O-N 3.28Å; I308-L310 VanDerWaalsContact C-N 3.31Å; I308-L310 PolarHBondContact O-N 3.32Å; L310-S312 VanDerWaalsContact C-N 3.26Å; L310-S312 PolarHBondContact O-N 3.07Å; L310-I313 HydrophobicContact CD2-CD1 4.18Å; L310-I313 PolarHBondContact O-N 3.13Å; L310-Y321 HydrophobicContact CD1-CD2 4.01Å; L310-Y321 HydrophobicContact CD1-CE2 3.41Å; L310-Y321 VanDerWaalsContact CD1-CE2 3.41Å; L310-L325 HydrophobicContact CD1-CB 4.16Å; L310-L325 HydrophobicContact CD1-CD1 4.12Å; L310-L325 HydrophobicContact CD2-CB 4.34Å; L310-L325 HydrophobicContact CD2-CD1 4.38Å; L310-A328 HydrophobicContact CD2-CB 3.56Å; L310-I663 HydrophobicContact CB-CD1 4.26Å
311R88.3Confident86.6Confident120 Ų12027.3 Ų27.345%0.45313%0.134SC..Hα-helixtrans-64-34.5172.4-76172.8-174.7173.33.1111.8N307 I308 L309 L536 I663N307-R311 WeakPolarHBondContact O-CG 3.4Å; N307-R311 PolarHBondContact O-N 2.85Å; I308-R311 WeakPolarHBondContact O-CB 3.19Å; I308-R311 PolarHBondContact O-N 2.66Å; L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 2.77Å; R311-L536 HydrophobicContact CB-CD2 4.36Å; R311-I663 HydrophobicContact CB-CD1 4.27Å; R311-I663 HydrophobicContact CG-CD1 3.41Å; R311-I663 VanDerWaalsContact CG-CD1 3.41Å
312S87.7Confident87Confident6 Ų626.2 Ų26.24%0.04213%0.125CC..Hα-helixtrans-79.4-20.4179.368.80000113.9I308 L309 L310 C314 L542I308-S312 PolarHBondContact O-N 3.43Å; L309-S312 PolarHBondContact O-N 3.32Å; L309-S312 VanDerWaalsContact O-N 3.07Å; L309-S312 PolarHBondContact O-OG 3.14Å; L310-S312 VanDerWaalsContact C-N 3.26Å; L310-S312 PolarHBondContact O-N 3.07Å; S312-C314 PolarHBondContact O-N 3.02Å; S312-L542 WeakPolarHBondContact OG-CD1 3.02Å; S312-L542 WeakPolarHBondContact OG-CD2 3.47Å
313I87.7Confident87.4Confident1 Ų126 Ų261%0.00512%0.124CC..SBendtrans-75.9118.4172.7-63.8171000109.4L309 L310 K324 A328 L380 F546L309-I313 WeakPolarHBondContact O-CG1 3.08Å; L309-I313 PolarHBondContact O-N 3.37Å; L309-I313 VanDerWaalsContact O-N 3.12Å; L310-I313 HydrophobicContact CD2-CD1 4.18Å; L310-I313 PolarHBondContact O-N 3.13Å; I313-K324 PolarHBondContact O-NZ 3.11Å; I313-A328 HydrophobicContact CD1-CB 3.51Å; I313-L380 HydrophobicContact CG1-CD1 4.32Å; I313-L380 HydrophobicContact CG2-CD1 4.07Å; I313-F546 HydrophobicContact CD1-CZ 4.08Å
314C86Confident87.7Confident9 Ų926.4 Ų26.46%0.06113%0.125CC..  trans48.870.7-179.3-59.70000112S312 E316 V317 K324 L373S312-C314 PolarHBondContact O-N 3.02Å; C314-E316 PolarHBondContact O-N 3.3Å; C314-V317 PolarHBondContact O-N 3.01Å; C314-K324 PolarHBondContact O-NZ 3.42Å; C314-L373 HydrophobicContact CB-CD2 4.25Å
315P85.5Confident88.1Confident61 Ų6121.8 Ų21.840%0.39610%0.104SC..THydrogen-bonded Turntrans-64-22.3179.427.9-34.8000111.8V317 F515P315-V317 PolarHBondContact O-N 3.35Å; P315-F515 WeakPolarHBondContact O-CZ 3.24Å
316E83.4Confident88.5Confident100 Ų10021.8 Ų21.847%0.46710%0.104SC..THydrogen-bonded Turntrans-66.4-13.5178.3-63.7162.3-150.500114.1C314 V372 F515 K539C314-E316 PolarHBondContact O-N 3.3Å; E316-V372 HydrophobicContact CB-CG1 4.43Å; E316-F515 WeakPolarHBondContact O-CE1 3.23Å; E316-K539 IonicContact OE1-NZ 3.02Å; E316-K539 PolarHBondContact OE1-NZ 3.27Å
317V86.1Confident88.7Confident10 Ų1021.4 Ų21.46%0.06110%0.103CC..SBendtrans-113.1122.3-178.5-178.40000109.7C314 P315 M320 K324 A369 V372 L373C314-V317 PolarHBondContact O-N 3.01Å; P315-V317 PolarHBondContact O-N 3.35Å; V317-M320 HydrophobicContact CG1-CE 4.29Å; V317-M320 HydrophobicContact CG1-CG 4.43Å; V317-M320 HydrophobicContact CG1-SD 3.69Å; V317-K324 WeakPolarHBondContact O-CE 3.47Å; V317-K324 PolarHBondContact O-NZ 2.74Å; V317-A369 HydrophobicContact CG1-CB 4.33Å; V317-A369 HydrophobicContact CG2-CB 4.15Å; V317-V372 HydrophobicContact CG2-CB 4.43Å; V317-V372 HydrophobicContact CG2-CG1 3.93Å; V317-L373 HydrophobicContact CB-CD2 4.32Å; V317-L373 HydrophobicContact CG1-CD2 4.36Å; V317-L373 HydrophobicContact CG2-CD2 3.97Å; V317-L373 HydrophobicContact CG2-CG 4.45Å
318Y84.2Confident88.9Confident68 Ų6821.2 Ų21.227%0.26710%0.102SC..  trans-79.7142.3174.5-171.5-100000111.4W508 R511 F515 N662Y318-W508 HydrophobicContact CD1-CE3 4.41Å; Y318-W508 HydrophobicContact CD1-CH2 4.11Å; Y318-W508 AromaticContact CD1-CZ3 3.59Å; Y318-W508 HydrophobicContact CD1-CZ3 3.59Å; Y318-W508 HydrophobicContact CE1-CE3 4.46Å; Y318-W508 AromaticContact CE1-CZ3 3.92Å; Y318-W508 HydrophobicContact CE1-CZ3 3.92Å; Y318-R511 HydrophobicContact CE1-CB 3.94Å; Y318-F515 HydrophobicContact CD2-CB 4.2Å; Y318-F515 AromaticContact CD2-CD2 3.91Å; Y318-F515 HydrophobicContact CD2-CD2 3.91Å; Y318-F515 AromaticContact CD2-CG 3.97Å; Y318-F515 HydrophobicContact CD2-CG 3.97Å; Y318-F515 HydrophobicContact CG-CB 4.43Å; Y318-F515 HydrophobicContact CG-CG 4.25Å; Y318-N662 PolarHBondContact OH-ND2 2.89Å
319G83.1Confident89.2Confident9 Ų920.3 Ų20.39%0.09310%0.097CC..SBendtrans71.3-142.7178.600000114.4Y321 K324 M661G319-Y321 PolarHBondContact O-N 3.29Å; G319-K324 WeakPolarHBondContact O-CE 3.05Å; G319-M661 CarbonylContact C-O 3.59Å
320M85Confident89.4Confident7 Ų720.2 Ų20.23%0.03410%0.097CC..  trans56.940176.1-62.7-175-173.300115.1V317 L322 I323 K324 L373 V659 M661V317-M320 HydrophobicContact CG1-CE 4.29Å; V317-M320 HydrophobicContact CG1-CG 4.43Å; V317-M320 HydrophobicContact CG1-SD 3.69Å; M320-L322 PolarHBondContact O-N 2.97Å; M320-I323 HydrophobicContact CB-CB 4.29Å; M320-I323 HydrophobicContact CB-CD1 3.95Å; M320-I323 HydrophobicContact CB-CG1 4.46Å; M320-I323 HydrophobicContact CG-CD1 3.95Å; M320-I323 PolarHBondContact O-N 3.49Å; M320-I323 VanDerWaalsContact O-N 3.15Å; M320-I323 HydrophobicContact SD-CD1 3.97Å; M320-K324 WeakPolarHBondContact O-CG 3.39Å; M320-K324 PolarHBondContact O-N 2.86Å; M320-L373 HydrophobicContact SD-CD1 4.02Å; M320-V659 HydrophobicContact CE-CG1 4Å; M320-V659 PolarHBondContact N-O 3.2Å; M320-M661 PolarHBondContact N-O 3.43Å
321Y89.4Confident89.4Confident14 Ų1420.3 Ų20.36%0.05510%0.097CC..Hα-helixtrans-52.3-49-175.9169.2-115.7000113.8R306 L310 G319 I323 K324 L325 M661 I663 P664R306-Y321 PolarHBondContact NH2-OH 3.02Å; L310-Y321 HydrophobicContact CD1-CD2 4.01Å; L310-Y321 HydrophobicContact CD1-CE2 3.41Å; L310-Y321 VanDerWaalsContact CD1-CE2 3.41Å; G319-Y321 PolarHBondContact O-N 3.29Å; Y321-I323 VanDerWaalsContact C-N 3.3Å; Y321-I323 PolarHBondContact O-N 3.3Å; Y321-K324 PolarHBondContact O-N 2.87Å; Y321-L325 WeakPolarHBondContact O-CB 3.21Å; Y321-L325 PolarHBondContact O-N 2.93Å; Y321-M661 PolarHBondContact N-O 3.42Å; Y321-M661 VanDerWaalsContact N-O 3.11Å; Y321-I663 HydrophobicContact CD2-CB 4.21Å; Y321-I663 HydrophobicContact CD2-CG1 3.84Å; Y321-I663 HydrophobicContact CD2-CG2 4.17Å; Y321-I663 HydrophobicContact CE2-CG2 4.24Å; Y321-I663 HydrophobicContact CG-CG1 4.48Å; Y321-P664 HydrophobicContact CE1-CG 4.44Å
322L91Very high89.5Confident2 Ų214.6 Ų14.61%0.018%0.076CC..Hα-helixtrans-64-36.3-177.8-63.7178.4000112.4M320 S326 W497 Y625 C629 I658 M661M320-L322 PolarHBondContact O-N 2.97Å; L322-S326 PolarHBondContact O-N 2.91Å; L322-W497 HydrophobicContact CB-CH2 3.88Å; L322-W497 HydrophobicContact CB-CZ2 4.15Å; L322-W497 HydrophobicContact CB-CZ3 4.39Å; L322-W497 HydrophobicContact CD1-CH2 4.16Å; L322-W497 HydrophobicContact CD1-CZ3 4.31Å; L322-Y625 HydrophobicContact CD2-CE1 4Å; L322-C629 HydrophobicContact CD1-CB 3.98Å; L322-I658 HydrophobicContact CD1-CG2 4.5Å; L322-M661 HydrophobicContact CD1-SD 3.86Å; L322-M661 HydrophobicContact CG-SD 4.26Å
323I92.7Very high89.5Confident0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-70.8-48.2178.1-54.5168.6000109.3M320 Y321 L325 S326 L327 L362 L373 W497 L499M320-I323 HydrophobicContact CB-CB 4.29Å; M320-I323 HydrophobicContact CB-CD1 3.95Å; M320-I323 HydrophobicContact CB-CG1 4.46Å; M320-I323 HydrophobicContact CG-CD1 3.95Å; M320-I323 PolarHBondContact O-N 3.49Å; M320-I323 VanDerWaalsContact O-N 3.15Å; M320-I323 HydrophobicContact SD-CD1 3.97Å; Y321-I323 VanDerWaalsContact C-N 3.3Å; Y321-I323 PolarHBondContact O-N 3.3Å; I323-L325 PolarHBondContact O-N 3.12Å; I323-S326 WeakPolarHBondContact CA-OG 3.42Å; I323-S326 WeakPolarHBondContact O-CA 3.17Å; I323-S326 PolarHBondContact O-N 2.69Å; I323-S326 PolarHBondContact O-OG 2.83Å; I323-L327 HydrophobicContact CG2-CD1 4.08Å; I323-L327 HydrophobicContact CG2-CG 4.31Å; I323-L327 VanDerWaalsContact O-CG 3.31Å; I323-L327 WeakPolarHBondContact O-CG 3.43Å; I323-L327 PolarHBondContact O-N 2.92Å; I323-L362 HydrophobicContact CG2-CD2 3.95Å; I323-L373 HydrophobicContact CG2-CD1 4.03Å; I323-W497 HydrophobicContact CG1-CD2 4.48Å; I323-W497 HydrophobicContact CG1-CG 4.28Å; I323-L499 HydrophobicContact CD1-CD1 4.09Å; I323-L499 HydrophobicContact CD1-CD2 3.19Å; I323-L499 HydrophobicContact CD1-CG 4.27Å; I323-L499 HydrophobicContact CG1-CD2 4.21Å
324K92.9Very high89.2Confident10 Ų1014.5 Ų14.54%0.0438%0.075CC..Hα-helixtrans-57.7-40.1175.9-68.1-172.1-175.7-161.20111.6I313 C314 V317 G319 M320 Y321 L327 A328I313-K324 PolarHBondContact O-NZ 3.11Å; C314-K324 PolarHBondContact O-NZ 3.42Å; V317-K324 WeakPolarHBondContact O-CE 3.47Å; V317-K324 PolarHBondContact O-NZ 2.74Å; G319-K324 WeakPolarHBondContact O-CE 3.05Å; M320-K324 WeakPolarHBondContact O-CG 3.39Å; M320-K324 PolarHBondContact O-N 2.86Å; Y321-K324 PolarHBondContact O-N 2.87Å; K324-L327 PolarHBondContact O-N 3.37Å; K324-A328 WeakPolarHBondContact O-CB 3.39Å; K324-A328 PolarHBondContact O-N 3.25Å
325L93Very high88.9Confident4 Ų415 Ų152%0.0218%0.079CC..Hα-helixtrans-61-47.9172.8177.757.8000111.3L310 Y321 I323 L327 A328 L329 V622 L626L310-L325 HydrophobicContact CD1-CB 4.16Å; L310-L325 HydrophobicContact CD1-CD1 4.12Å; L310-L325 HydrophobicContact CD2-CB 4.34Å; L310-L325 HydrophobicContact CD2-CD1 4.38Å; Y321-L325 WeakPolarHBondContact O-CB 3.21Å; Y321-L325 PolarHBondContact O-N 2.93Å; I323-L325 PolarHBondContact O-N 3.12Å; L325-L327 VanDerWaalsContact C-N 3.32Å; L325-L327 PolarHBondContact O-N 3.31Å; L325-A328 WeakPolarHBondContact O-CB 3.46Å; L325-A328 PolarHBondContact O-N 2.93Å; L325-L329 HydrophobicContact CD1-CG 4.36Å; L325-L329 HydrophobicContact CG-CD1 4.48Å; L325-L329 WeakPolarHBondContact O-CG 3.5Å; L325-L329 PolarHBondContact O-N 2.7Å; L325-V622 HydrophobicContact CD2-CG1 4.37Å; L325-L626 HydrophobicContact CB-CD1 4.47Å; L325-L626 HydrophobicContact CD2-CD1 3.84Å; L325-L626 HydrophobicContact CG-CD1 3.86Å
326S94.2Very high88.4Confident0 Ų014.8 Ų14.80%07%0.072CC..Hα-helixtrans-60.9-39.817771.20000113L322 I323 L329 M330 I360 W497L322-S326 PolarHBondContact O-N 2.91Å; I323-S326 WeakPolarHBondContact CA-OG 3.42Å; I323-S326 WeakPolarHBondContact O-CA 3.17Å; I323-S326 PolarHBondContact O-N 2.69Å; I323-S326 PolarHBondContact O-OG 2.83Å; S326-L329 PolarHBondContact O-N 2.84Å; S326-M330 PolarHBondContact O-N 3.41Å; S326-I360 VanDerWaalsContact O-CD1 3.22Å; S326-I360 WeakPolarHBondContact O-CD1 3.48Å; S326-W497 PolarHBondContact OG-NE1 2.95Å; S326-W497 VanDerWaalsContact OG-NE1 3.1Å
327L94.2Very high87.7Confident0 Ų013 Ų130%06%0.061CC..Hα-helixtrans-64.5-41.5175.4-65.1172.3000111.1I323 K324 L325 L329 M330 L331 L373 L466I323-L327 HydrophobicContact CG2-CD1 4.08Å; I323-L327 HydrophobicContact CG2-CG 4.31Å; I323-L327 VanDerWaalsContact O-CG 3.31Å; I323-L327 WeakPolarHBondContact O-CG 3.43Å; I323-L327 PolarHBondContact O-N 2.92Å; K324-L327 PolarHBondContact O-N 3.37Å; L325-L327 VanDerWaalsContact C-N 3.32Å; L325-L327 PolarHBondContact O-N 3.31Å; L327-L329 PolarHBondContact O-N 3.14Å; L327-M330 HydrophobicContact CD2-CE 4.24Å; L327-M330 WeakPolarHBondContact O-CB 3.43Å; L327-M330 PolarHBondContact O-N 3.45Å; L327-L331 VanDerWaalsContact O-CG 3.31Å; L327-L331 WeakPolarHBondContact O-CG 3.29Å; L327-L331 PolarHBondContact O-N 2.87Å; L327-L373 HydrophobicContact CD1-CB 4.35Å; L327-L373 HydrophobicContact CD1-CD2 4.12Å; L327-L466 HydrophobicContact CD2-CD1 3.72Å; L327-L466 HydrophobicContact CD2-CD2 3.92Å
328A93.7Very high86.7Confident1 Ų117.4 Ų17.41%0.0088%0.081CC..Hα-helixtrans-61.7-41.6174.600000112.3L310 I313 K324 L325 M330 L331 A332 L609L310-A328 HydrophobicContact CD2-CB 3.56Å; I313-A328 HydrophobicContact CD1-CB 3.51Å; K324-A328 WeakPolarHBondContact O-CB 3.39Å; K324-A328 PolarHBondContact O-N 3.25Å; L325-A328 WeakPolarHBondContact O-CB 3.46Å; L325-A328 PolarHBondContact O-N 2.93Å; A328-M330 VanDerWaalsContact C-N 3.32Å; A328-M330 PolarHBondContact O-N 2.93Å; A328-L331 PolarHBondContact O-N 3.23Å; A328-A332 WeakPolarHBondContact O-CB 3.33Å; A328-A332 PolarHBondContact O-N 3.23Å; A328-L609 HydrophobicContact CB-CD1 4.43Å; A328-L609 HydrophobicContact CB-CD2 4.05Å
329L94.1Very high85.1Confident1 Ų116.9 Ų16.91%0.0059%0.087CC..Hα-helixtrans-64.2-38.1175.1-64.7177.4000111.6L325 S326 L327 A332 S333 L602 A605 H606 L609 L626L325-L329 HydrophobicContact CD1-CG 4.36Å; L325-L329 HydrophobicContact CG-CD1 4.48Å; L325-L329 WeakPolarHBondContact O-CG 3.5Å; L325-L329 PolarHBondContact O-N 2.7Å; S326-L329 PolarHBondContact O-N 2.84Å; L327-L329 PolarHBondContact O-N 3.14Å; L329-A332 PolarHBondContact O-N 3.29Å; L329-S333 PolarHBondContact O-N 2.68Å; L329-L602 HydrophobicContact CB-CD2 4.34Å; L329-L602 HydrophobicContact CD1-CD2 4.23Å; L329-A605 HydrophobicContact CB-CB 4.4Å; L329-A605 HydrophobicContact CD2-CB 4.4Å; L329-H606 HydrophobicContact CD2-CB 3.55Å; L329-L609 HydrophobicContact CD2-CD2 4.29Å; L329-L626 HydrophobicContact CD1-CD1 4.03Å
330M93.9Very high83.5Confident1 Ų122.4 Ų22.41%0.00512%0.119CC..Hα-helixtrans-65.8-40.8174.3-175.2-165.469.200112.4S326 L327 A328 S333 P358 I360 L422 L466S326-M330 PolarHBondContact O-N 3.41Å; L327-M330 HydrophobicContact CD2-CE 4.24Å; L327-M330 WeakPolarHBondContact O-CB 3.43Å; L327-M330 PolarHBondContact O-N 3.45Å; A328-M330 VanDerWaalsContact C-N 3.32Å; A328-M330 PolarHBondContact O-N 2.93Å; M330-S333 PolarHBondContact O-N 2.82Å; M330-P358 HydrophobicContact CB-CG 4.23Å; M330-P358 HydrophobicContact CG-CG 4.36Å; M330-I360 HydrophobicContact CB-CD1 3.72Å; M330-I360 HydrophobicContact CB-CG1 4.48Å; M330-I360 HydrophobicContact CG-CD1 4.31Å; M330-I360 HydrophobicContact SD-CD1 4.15Å; M330-I360 HydrophobicContact SD-CG1 4.33Å; M330-L422 HydrophobicContact CE-CD1 3.41Å; M330-L422 VanDerWaalsContact CE-CD1 3.41Å; M330-L422 HydrophobicContact CE-CD2 3.93Å; M330-L422 HydrophobicContact CE-CG 4.32Å; M330-L422 HydrophobicContact SD-CD1 3.66Å; M330-L466 HydrophobicContact CE-CB 4.25Å; M330-L466 HydrophobicContact CE-CD2 4.06Å; M330-L466 HydrophobicContact SD-CB 3.89Å; M330-L466 HydrophobicContact SD-CD1 4.21Å; M330-L466 HydrophobicContact SD-CG 4.45Å
331L91.8Very high81.3Confident3 Ų326.5 Ų26.52%0.01615%0.148CC..Hα-helixtrans-68.8-35.6175.6-67.1175.9000112.2L327 A328 L380 C381 F546 R550L327-L331 VanDerWaalsContact O-CG 3.31Å; L327-L331 WeakPolarHBondContact O-CG 3.29Å; L327-L331 PolarHBondContact O-N 2.87Å; A328-L331 PolarHBondContact O-N 3.23Å; L331-L380 HydrophobicContact CD1-CB 4.15Å; L331-L380 HydrophobicContact CD1-CD1 3.95Å; L331-C381 WeakPolarHBondContact CD2-SG 3.32Å; L331-F546 HydrophobicContact CB-CD1 3.71Å; L331-F546 HydrophobicContact CB-CD2 4.23Å; L331-F546 HydrophobicContact CB-CE1 3.55Å; L331-F546 HydrophobicContact CB-CE2 4.1Å; L331-F546 HydrophobicContact CB-CG 4.06Å; L331-F546 HydrophobicContact CB-CZ 3.77Å; L331-F546 HydrophobicContact CD1-CD2 4.25Å; L331-F546 HydrophobicContact CD1-CE1 4.42Å; L331-F546 HydrophobicContact CD1-CE2 3.65Å; L331-F546 HydrophobicContact CD1-CZ 3.75Å; L331-F546 HydrophobicContact CG-CE2 4.5Å; L331-F546 HydrophobicContact CG-CZ 4.42Å; L331-R550 PolarHBondContact O-NE 3.26Å; L331-R550 PolarHBondContact O-NH2 3.4Å
332A90.3Very high78.7Confident0 Ų028.7 Ų28.70%018%0.175CC..Hα-helixtrans-67.8-40.5173.100000111.8A328 L329 R550 R608 L609A328-A332 WeakPolarHBondContact O-CB 3.33Å; A328-A332 PolarHBondContact O-N 3.23Å; L329-A332 PolarHBondContact O-N 3.29Å; A332-R550 WeakPolarHBondContact O-CG 3.24Å; A332-R608 PolarHBondContact O-NH1 3.32Å; A332-L609 HydrophobicContact CB-CB 4.19Å; A332-L609 HydrophobicContact CB-CD1 4.43Å
333S87.2Confident76.2Confident3 Ų338.3 Ų38.32%0.02122%0.22CC..  trans55.5159.6-174.6-166.50000114.4L329 M330 N357 R608L329-S333 PolarHBondContact O-N 2.68Å; M330-S333 PolarHBondContact O-N 2.82Å; S333-N357 WeakPolarHBondContact OG-CA 3.16Å; S333-N357 PolarHBondContact OG-OD1 2.96Å; S333-R608 WeakPolarHBondContact O-CD 3.02Å; S333-R608 PolarHBondContact O-NH1 3.42Å
334A81.7Confident73.5Confident2 Ų243.9 Ų43.92%0.01725%0.254CS..PPolyproline II helixtrans-89.9147169.100000110.1G356 R601 K604A334-G356 VanDerWaalsContact CB-O 3.23Å; A334-G356 WeakPolarHBondContact CB-O 3.44Å; A334-G356 PolarHBondContact N-O 3.17Å; A334-R601 HydrophobicContact CB-CB 4.37Å; A334-K604 HydrophobicContact CB-CB 4.03Å
335P79Confident70.7Confident20 Ų2048.5 Ų48.513%0.1330%0.295CS..PPolyproline II helixtrans-60143.3171.628.1-35.9000110T554P335-T554 HydrophobicContact CB-CG2 4.06Å
336E75.7Confident67.8Low55 Ų5551.1 Ų51.126%0.25732%0.322SS..PPolyproline II helixtrans-66.1134.6170-62.1-175.916700108.5H353 R462E336-H353 IonicContact OE1-CE1 3.28Å; E336-H353 IonicContact OE1-NE2 3.22Å; E336-H353 IonicContact OE2-CD2 3.92Å; E336-H353 IonicContact OE2-CE1 3.82Å; E336-H353 IonicContact OE2-NE2 3.68Å; E336-H353 PolarHBondContact OE2-NE2 3.46Å; E336-R462 WeakPolarHBondContact OE1-CD 3.46Å; E336-R462 IonicContact OE1-NH1 2.78Å; E336-R462 IonicContact OE2-NH1 3.33Å; E336-R462 PolarHBondContact OE2-NH1 2.83Å
337W68.6Low65.2Low64 Ų6456.7 Ų56.724%0.24236%0.356CS..EExtended strand (participates in β ladder)trans-124.6142.817671.895.5000110.9I354 R601W337-I354 HydrophobicContact CD2-CB 4.15Å; W337-I354 HydrophobicContact CD2-CG2 4.22Å; W337-I354 VanDerWaalsContact CE2-CG2 3.46Å; W337-I354 HydrophobicContact CG-CB 4.48Å; W337-I354 HydrophobicContact CH2-CG2 3.73Å; W337-I354 HydrophobicContact CZ2-CB 4.01Å; W337-I354 HydrophobicContact CZ2-CG2 3.21Å; W337-I354 HydrophobicContact CZ3-CG2 4.41Å; W337-I354 PolarHBondContact O-N 3.07Å; W337-R601 HydrophobicContact CH2-CG 3.9Å; W337-R601 HydrophobicContact CZ3-CG 4.14Å
338H64.7Low62.6Low101 Ų10162.2 Ų62.247%0.46839%0.386SS..EExtended strand (participates in β ladder)trans-102.1133.5177.2-52.689000106.7T340 H353H338-T340 VanDerWaalsContact C-N 3.31Å; H338-T340 PolarHBondContact O-N 3.33Å; H338-H353 AromaticContact NE2-CD2 3.78Å
339S51.3Low60.4Low58 Ų5870.1 Ų70.141%0.40642%0.422SS..  trans-72.392.7167.1-170.10000107.7S341S339-S341 PolarHBondContact O-N 3.25Å; S339-S341 VanDerWaalsContact O-N 3.15Å
340T47.7Very low58.3Low124 Ų12477.5 Ų77.576%0.76146%0.461SS*.  trans-76.395.8166.747.70000107.3H338 G342H338-T340 VanDerWaalsContact C-N 3.31Å; H338-T340 PolarHBondContact O-N 3.33Å; T340-G342 PolarHBondContact O-N 2.94Å
341S39.8Very low56.3Low93 Ų9380.4 Ų80.465%0.6548%0.481SS*.  trans-72.697.1169.646.10000108.7S339S339-S341 PolarHBondContact O-N 3.25Å; S339-S341 VanDerWaalsContact O-N 3.15Å
342G35.5Very low54.8Low60 Ų6084.3 Ų84.362%0.61951%0.506SS*.SBendtrans78.7136.9162.800000116T340 T344T340-G342 PolarHBondContact O-N 2.94Å; G342-T344 PolarHBondContact O-N 3.28Å
343E37.6Very low53.9Low204 Ų20487.9 Ų87.995%0.95352%0.522SS*.SBendtrans-65.974170.6-64.7167.7157.700110.7
344T36.3Very low53.4Low117 Ų11789.8 Ų89.872%0.71853%0.532SS*.  trans-138.298.3158.749.90000108G342 G346G342-T344 PolarHBondContact O-N 3.28Å; T344-G346 PolarHBondContact O-N 3.23Å
345A34.2Very low53.5Low108 Ų10890.6 Ų90.689%0.89353%0.534SS*.  trans-56.3100.1170.200000109.7
346G31.1Very low53.6Low58 Ų5889.6 Ų89.660%0.59853%0.528SS*.SBendtrans159.3103.2176.400000113T344T344-G346 PolarHBondContact O-N 3.23Å
347V39.9Very low54.2Low117 Ų11787.8 Ų87.871%0.70952%0.52SS*.  trans90.678.3173.2-160.60000115.3E349V347-E349 HydrophobicContact CG1-CB 4.03Å; V347-E349 HydrophobicContact CG1-CG 3.81Å; V347-E349 PolarHBondContact O-N 3.01Å
348D39.9Very low55.3Low117 Ų11784.7 Ų84.763%0.62651%0.508SS*.  trans-66.646.7171-68.4-39.2000114.6
349E48.5Very low56.7Low167 Ų16780 Ų8078%0.7849%0.486SS*.SBendtrans-101.7-3.9-174.2-73-171.7169.700115.8V347V347-E349 HydrophobicContact CG1-CB 4.03Å; V347-E349 HydrophobicContact CG1-CG 3.81Å; V347-E349 PolarHBondContact O-N 3.01Å
350L48.9Very low58.7Low156 Ų15677.3 Ų77.382%0.81747%0.467SS*.  trans-140.525.6-177.8-80158.1000114.9T352L350-T352 PolarHBondContact O-N 3.13Å
351S52Low60.8Low61 Ų6171.4 Ų71.443%0.42743%0.431SS..  trans-68.1104.317065.70000109.5H353S351-H353 PolarHBondContact O-N 3.43Å
352T61.5Low63.4Low86 Ų8667 Ų6753%0.52840%0.4SS..  trans-67.9115.9173.255.50000108.6L350 I354L350-T352 PolarHBondContact O-N 3.13Å; T352-I354 PolarHBondContact O-N 3.19Å
353H70.3Confident65.9Low75 Ų7564.3 Ų64.335%0.34737%0.372SS..EExtended strand (participates in β ladder)trans-67.4120.9171.5-178-91.4000108.7E336 H338 S351 Q446E336-H353 IonicContact OE1-CE1 3.28Å; E336-H353 IonicContact OE1-NE2 3.22Å; E336-H353 IonicContact OE2-CD2 3.92Å; E336-H353 IonicContact OE2-CE1 3.82Å; E336-H353 IonicContact OE2-NE2 3.68Å; E336-H353 PolarHBondContact OE2-NE2 3.46Å; H338-H353 AromaticContact NE2-CD2 3.78Å; S351-H353 PolarHBondContact O-N 3.43Å; H353-Q446 PolarHBondContact CE1-OE1 2.97Å
354I76.5Confident68.2Low43 Ų4354.8 Ų54.822%0.22133%0.328CS..EExtended strand (participates in β ladder)trans-104.8121176.6-58166.9000108W337 T352 G356W337-I354 HydrophobicContact CD2-CB 4.15Å; W337-I354 HydrophobicContact CD2-CG2 4.22Å; W337-I354 VanDerWaalsContact CE2-CG2 3.46Å; W337-I354 HydrophobicContact CG-CB 4.48Å; W337-I354 HydrophobicContact CH2-CG2 3.73Å; W337-I354 HydrophobicContact CZ2-CB 4.01Å; W337-I354 HydrophobicContact CZ2-CG2 3.21Å; W337-I354 HydrophobicContact CZ3-CG2 4.41Å; W337-I354 PolarHBondContact O-N 3.07Å; T352-I354 PolarHBondContact O-N 3.19Å; I354-G356 PolarHBondContact O-N 3.01Å
355R83.5Confident70.4Confident18 Ų1851.5 Ų51.57%0.06831%0.306CS..  trans-53.6127.7179.8170.1167.2163.4-133.3-30.5111.8N357 H359 M443 Q446 D494 R601R355-N357 VanDerWaalsContact CZ-O 3.23Å; R355-N357 PolarHBondContact NE-O 3.38Å; R355-N357 PolarHBondContact NH2-O 3.36Å; R355-H359 PolarHBondContact NE-CE1 2.8Å; R355-H359 PolarHBondContact NE-NE2 2.98Å; R355-H359 PolarHBondContact NH1-CD2 3.31Å; R355-H359 PolarHBondContact NH1-NE2 3.23Å; R355-H359 VanDerWaalsContact NH1-NE2 3.15Å; R355-H359 PolarHBondContact NH2-CD2 2.9Å; R355-H359 PolarHBondContact NH2-CE1 2.91Å; R355-H359 PolarHBondContact NH2-ND1 3.36Å; R355-H359 PolarHBondContact NH2-NE2 2.89Å; R355-M443 PolarHBondContact NH1-O 3.23Å; R355-Q446 VanDerWaalsContact CA-OE1 3.24Å; R355-Q446 HydrophobicContact CB-CG 4.34Å; R355-Q446 VanDerWaalsContact CB-OE1 3.23Å; R355-Q446 VanDerWaalsContact CG-CD 3.49Å; R355-Q446 HydrophobicContact CG-CG 4.25Å; R355-D494 IonicContact NH2-OD2 3.99Å; R355-D494 PolarHBondContact NH2-OD2 2.82Å; R355-R601 PolarHBondContact O-NE 3.38Å
356G81.6Confident72.8Confident0 Ų051.4 Ų51.40%030%0.297CS..  trans-93.3-29172.200000114.3A334 I354A334-G356 VanDerWaalsContact CB-O 3.23Å; A334-G356 WeakPolarHBondContact CB-O 3.44Å; A334-G356 PolarHBondContact N-O 3.17Å; I354-G356 PolarHBondContact O-N 3.01Å
357N88.6Confident75.2Confident16 Ų1652.4 Ų52.49%0.08631%0.306CS..  trans-76.9122.5-170.1-65.3-27.7000113S333 R355 R462 S464S333-N357 WeakPolarHBondContact OG-CA 3.16Å; S333-N357 PolarHBondContact OG-OD1 2.96Å; R355-N357 VanDerWaalsContact CZ-O 3.23Å; R355-N357 PolarHBondContact NE-O 3.38Å; R355-N357 PolarHBondContact NH2-O 3.36Å; N357-R462 PolarHBondContact ND2-O 3.22Å; N357-S464 WeakPolarHBondContact CB-OG 3.45Å
358P91.4Very high77.4Confident0 Ų047.2 Ų47.20%028%0.275CS..  trans-75.2155.1174.633-36.6000112M330 D494 L602M330-P358 HydrophobicContact CB-CG 4.23Å; M330-P358 HydrophobicContact CG-CG 4.36Å; P358-D494 WeakPolarHBondContact CA-OD2 3.44Å; P358-L602 HydrophobicContact CB-CD2 4.18Å
359H93.4Very high79.6Confident2 Ų243.1 Ų43.11%0.00926%0.257CS..  trans-122.1137.7175.3-67.2-8.7000110.7R355 M443 C463 V465 F493 D494 L495R355-H359 PolarHBondContact NE-CE1 2.8Å; R355-H359 PolarHBondContact NE-NE2 2.98Å; R355-H359 PolarHBondContact NH1-CD2 3.31Å; R355-H359 PolarHBondContact NH1-NE2 3.23Å; R355-H359 VanDerWaalsContact NH1-NE2 3.15Å; R355-H359 PolarHBondContact NH2-CD2 2.9Å; R355-H359 PolarHBondContact NH2-CE1 2.91Å; R355-H359 PolarHBondContact NH2-ND1 3.36Å; R355-H359 PolarHBondContact NH2-NE2 2.89Å; H359-M443 HydrophobicContact CB-CE 4.17Å; H359-M443 VanDerWaalsContact CD2-CE 3.44Å; H359-M443 WeakPolarHBondContact CD2-CE 3.38Å; H359-C463 PolarHBondContact CE1-O 2.98Å; H359-C463 VanDerWaalsContact CE1-O 3.23Å; H359-V465 WeakPolarHBondContact CA-O 3.29Å; H359-V465 PolarHBondContact CE1-N 3.24Å; H359-V465 PolarHBondContact ND1-N 3.32Å; H359-F493 HydrophobicContact CB-CD1 3.86Å; H359-F493 HydrophobicContact CB-CE1 4.41Å; H359-D494 PolarHBondContact N-OD2 3.05Å; H359-D494 PolarHBondContact O-N 3.12Å; H359-L495 PolarHBondContact O-N 2.82Å
360I94.1Very high81.6Confident1 Ų135.6 Ų35.61%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-126135.4-174.7-57.6-178.5000109.9S326 M330 L362 V465 L466 A467 L495S326-I360 VanDerWaalsContact O-CD1 3.22Å; S326-I360 WeakPolarHBondContact O-CD1 3.48Å; M330-I360 HydrophobicContact CB-CD1 3.72Å; M330-I360 HydrophobicContact CB-CG1 4.48Å; M330-I360 HydrophobicContact CG-CD1 4.31Å; M330-I360 HydrophobicContact SD-CD1 4.15Å; M330-I360 HydrophobicContact SD-CG1 4.33Å; I360-L362 HydrophobicContact CG2-CD2 4.02Å; I360-V465 PolarHBondContact N-O 3.32Å; I360-L466 HydrophobicContact CB-CD1 3.78Å; I360-L466 HydrophobicContact CG2-CD1 3.91Å; I360-L466 WeakPolarHBondContact O-CA 3.48Å; I360-A467 PolarHBondContact O-N 3.2Å; I360-L495 WeakPolarHBondContact CA-O 3.34Å; I360-L495 HydrophobicContact CD1-CD1 4.39Å; I360-L495 HydrophobicContact CG1-CB 4.32Å; I360-L495 HydrophobicContact CG1-CD1 4.45Å
361L93.1Very high83.5Confident0 Ų030 Ų300%020%0.196CC..EExtended strand (participates in β ladder)trans-118.4122.6173.1178.365.9000110.2I363 F428 A467 A469 L485 L490 F493 L495 I496 W497L361-I363 HydrophobicContact CD1-CG1 4.45Å; L361-I363 HydrophobicContact CD2-CD1 3.77Å; L361-I363 HydrophobicContact CD2-CG1 3.97Å; L361-I363 HydrophobicContact CG-CD1 4.18Å; L361-I363 HydrophobicContact CG-CG1 3.8Å; L361-F428 HydrophobicContact CD1-CD1 4.41Å; L361-A467 CarbonylContact C-O 3.58Å; L361-A467 WeakPolarHBondContact CA-O 3.33Å; L361-A467 HydrophobicContact CD1-CB 3.59Å; L361-A469 HydrophobicContact CD1-CB 4.14Å; L361-L485 HydrophobicContact CD2-CD1 3.63Å; L361-L490 HydrophobicContact CD2-CD2 4.08Å; L361-F493 HydrophobicContact CB-CB 4.29Å; L361-F493 HydrophobicContact CB-CD1 3.78Å; L361-F493 HydrophobicContact CB-CD2 4.09Å; L361-F493 HydrophobicContact CB-CE1 4.08Å; L361-F493 HydrophobicContact CB-CE2 4.36Å; L361-F493 HydrophobicContact CB-CG 3.79Å; L361-F493 HydrophobicContact CB-CZ 4.36Å; L361-F493 HydrophobicContact CD1-CZ 4.4Å; L361-F493 HydrophobicContact CD2-CD2 4Å; L361-F493 HydrophobicContact CD2-CE2 4.1Å; L361-L495 PolarHBondContact N-O 2.9Å; L361-I496 HydrophobicContact CB-CG1 4.29Å; L361-I496 HydrophobicContact CB-CG2 4.39Å; L361-I496 HydrophobicContact CD2-CD1 4.41Å; L361-I496 HydrophobicContact CD2-CG2 4.16Å; L361-I496 HydrophobicContact CG-CG2 4.39Å; L361-I496 WeakPolarHBondContact O-CA 3.25Å; L361-W497 PolarHBondContact O-N 3.01Å
362L92.9Very high85.3Confident0 Ų029.2 Ų29.20%019%0.188CC..EExtended strand (participates in β ladder)trans-101.7111.9174.6-55-179.9000109.2I323 I360 K370 L373 L466 A467 A468 A469 W497I323-L362 HydrophobicContact CG2-CD2 3.95Å; I360-L362 HydrophobicContact CG2-CD2 4.02Å; L362-K370 HydrophobicContact CB-CD 4.11Å; L362-K370 HydrophobicContact CB-CG 4.48Å; L362-L373 HydrophobicContact CD1-CB 4.47Å; L362-L373 HydrophobicContact CD1-CD1 4.18Å; L362-L466 HydrophobicContact CD1-CD1 4.42Å; L362-L466 HydrophobicContact CG-CD1 4.4Å; L362-A467 PolarHBondContact N-O 3.13Å; L362-A468 CarbonylContact O-C 3.57Å; L362-A468 WeakPolarHBondContact O-CA 3.44Å; L362-A469 PolarHBondContact O-N 3.08Å; L362-W497 HydrophobicContact CD2-CB 4.01Å; L362-W497 HydrophobicContact CD2-CG 4.33Å
363I89Confident86.8Confident5 Ų525.1 Ų25.13%0.02616%0.163CC..EExtended strand (participates in β ladder)trans-109.5142.5176.7-49-177.5000108L361 A469 F483 I496 W497 R498 L499L361-I363 HydrophobicContact CD1-CG1 4.45Å; L361-I363 HydrophobicContact CD2-CD1 3.77Å; L361-I363 HydrophobicContact CD2-CG1 3.97Å; L361-I363 HydrophobicContact CG-CD1 4.18Å; L361-I363 HydrophobicContact CG-CG1 3.8Å; I363-A469 WeakPolarHBondContact CA-O 3.49Å; I363-A469 HydrophobicContact CG1-CB 4.27Å; I363-F483 HydrophobicContact CD1-CB 4.2Å; I363-F483 HydrophobicContact CD1-CD1 3.37Å; I363-F483 HydrophobicContact CD1-CE1 3.8Å; I363-F483 HydrophobicContact CD1-CG 3.81Å; I363-F483 HydrophobicContact CG2-CD1 4.02Å; I363-F483 HydrophobicContact CG2-CE1 4.39Å; I363-I496 HydrophobicContact CD1-CG2 3.76Å; I363-I496 HydrophobicContact CG1-CG2 4.18Å; I363-W497 PolarHBondContact N-O 2.88Å; I363-W497 VanDerWaalsContact O-O 3.11Å; I363-R498 CarbonylContact O-C 3.58Å; I363-R498 WeakPolarHBondContact O-CA 3.47Å; I363-L499 PolarHBondContact O-N 3.18Å
364G85.1Confident87.8Confident3 Ų321.5 Ų21.53%0.03115%0.147CC..EExtended strand (participates in β ladder)trans166.5-174.5174.200000115K370 A469 P471 L499G364-K370 VanDerWaalsContact C-CE 3.47Å; G364-K370 VanDerWaalsContact CA-CE 3.4Å; G364-K370 VanDerWaalsContact N-CE 3.28Å; G364-K370 WeakPolarHBondContact O-CE 3.38Å; G364-K370 PolarHBondContact O-NZ 2.8Å; G364-A469 PolarHBondContact N-O 3.28Å; G364-P471 WeakPolarHBondContact O-CD 3.31Å; G364-L499 WeakPolarHBondContact CA-O 3.29Å
365D83Confident88.5Confident48 Ų4826.4 Ų26.426%0.25716%0.162SC..  trans-72.9149-178.3-59.5-42.9000111.8G367 T368 L499D365-G367 PolarHBondContact O-N 3.33Å; D365-T368 HydrophobicContact CB-CG2 4.44Å; D365-T368 PolarHBondContact O-N 3.11Å; D365-T368 PolarHBondContact O-OG1 3.13Å; D365-L499 PolarHBondContact N-O 3.31Å
366P83.9Confident88.7Confident107 Ų10726.1 Ų26.170%0.69517%0.165SC*.THydrogen-bonded Turntrans-59.8133.217027.6-33.9000109
367G82.7Confident89.1Confident78 Ų7826.1 Ų26.180%0.80417%0.165SC*.THydrogen-bonded Turntrans109.4-16.9-175.400000114.7D365 A369D365-G367 PolarHBondContact O-N 3.33Å; G367-A369 PolarHBondContact O-N 3.48Å
368T84.9Confident89.1Confident8 Ų825.6 Ų25.65%0.04916%0.163CC..SBendtrans-7630.4179.354.80000114.8D365 K370 L499 D501D365-T368 HydrophobicContact CB-CG2 4.44Å; D365-T368 PolarHBondContact O-N 3.11Å; D365-T368 PolarHBondContact O-OG1 3.13Å; T368-K370 PolarHBondContact O-N 3.43Å; T368-K370 WeakPolarHBondContact OG1-CE 3.15Å; T368-L499 HydrophobicContact CG2-CB 4.26Å; T368-D501 HydrophobicContact CG2-CB 4.23Å
369A87Confident88.9Confident31 Ų3126.8 Ų26.826%0.25617%0.171SC..SBendtrans54.715.2178.200000117.2V317 G367 S371 V372 L373V317-A369 HydrophobicContact CG1-CB 4.33Å; V317-A369 HydrophobicContact CG2-CB 4.15Å; G367-A369 PolarHBondContact O-N 3.48Å; A369-S371 PolarHBondContact O-N 3.36Å; A369-V372 HydrophobicContact CB-CB 4.46Å; A369-V372 WeakPolarHBondContact O-CA 3.3Å; A369-V372 WeakPolarHBondContact O-CB 3.15Å; A369-V372 PolarHBondContact O-N 2.86Å; A369-L373 PolarHBondContact O-N 2.84Å
370K89.8Confident88.5Confident10 Ų1027 Ų274%0.04317%0.172CC..Hα-helixtrans-56.3-48.1-176.5-62.1-172.2-131.41390114.3L362 G364 T368 V372 L373 L374 A468 A469 N470 L499L362-K370 HydrophobicContact CB-CD 4.11Å; L362-K370 HydrophobicContact CB-CG 4.48Å; G364-K370 VanDerWaalsContact C-CE 3.47Å; G364-K370 VanDerWaalsContact CA-CE 3.4Å; G364-K370 VanDerWaalsContact N-CE 3.28Å; G364-K370 WeakPolarHBondContact O-CE 3.38Å; G364-K370 PolarHBondContact O-NZ 2.8Å; T368-K370 PolarHBondContact O-N 3.43Å; T368-K370 WeakPolarHBondContact OG1-CE 3.15Å; K370-V372 PolarHBondContact O-N 3.23Å; K370-L373 WeakPolarHBondContact O-CB 3.32Å; K370-L373 PolarHBondContact O-N 3.46Å; K370-L373 VanDerWaalsContact O-N 3.13Å; K370-L374 WeakPolarHBondContact O-CG 3.23Å; K370-L374 PolarHBondContact O-N 3.16Å; K370-A468 HydrophobicContact CB-CB 4.17Å; K370-A468 HydrophobicContact CD-CB 4.43Å; K370-A469 PolarHBondContact NZ-O 3.46Å; K370-N470 PolarHBondContact NZ-OD1 3.18Å; K370-L499 HydrophobicContact CD-CD1 4.19Å; K370-L499 HydrophobicContact CG-CD1 3.76Å
371S89.2Confident88Confident38 Ų3827.7 Ų27.727%0.26618%0.176SC..Hα-helixtrans-66-27.4179.3-50.70000112.1A369 R375 D426A369-S371 PolarHBondContact O-N 3.36Å; S371-R375 VanDerWaalsContact O-CG 3.3Å; S371-R375 WeakPolarHBondContact O-CG 3.44Å; S371-R375 PolarHBondContact O-N 2.93Å; S371-D426 WeakPolarHBondContact CB-OD2 3.18Å; S371-D426 PolarHBondContact OG-OD2 2.86Å
372V90.4Very high87.1Confident44 Ų4430.7 Ų30.727%0.26719%0.193SC..Hα-helixtrans-69-43.5172.6-179.10000110.1E316 V317 A369 K370 L374 R375 G376E316-V372 HydrophobicContact CB-CG1 4.43Å; V317-V372 HydrophobicContact CG2-CB 4.43Å; V317-V372 HydrophobicContact CG2-CG1 3.93Å; A369-V372 HydrophobicContact CB-CB 4.46Å; A369-V372 WeakPolarHBondContact O-CA 3.3Å; A369-V372 WeakPolarHBondContact O-CB 3.15Å; A369-V372 PolarHBondContact O-N 2.86Å; K370-V372 PolarHBondContact O-N 3.23Å; V372-L374 VanDerWaalsContact C-N 3.34Å; V372-L374 PolarHBondContact O-N 2.67Å; V372-R375 PolarHBondContact O-N 2.8Å; V372-G376 PolarHBondContact O-N 3.16Å
373L92.4Very high86.3Confident0 Ų032.3 Ų32.30%020%0.199CC..Hα-helixtrans-60.1-42.1173.8-66.3173.7000112.1C314 V317 M320 I323 L327 L362 A369 K370 G376 C377C314-L373 HydrophobicContact CB-CD2 4.25Å; V317-L373 HydrophobicContact CB-CD2 4.32Å; V317-L373 HydrophobicContact CG1-CD2 4.36Å; V317-L373 HydrophobicContact CG2-CD2 3.97Å; V317-L373 HydrophobicContact CG2-CG 4.45Å; M320-L373 HydrophobicContact SD-CD1 4.02Å; I323-L373 HydrophobicContact CG2-CD1 4.03Å; L327-L373 HydrophobicContact CD1-CB 4.35Å; L327-L373 HydrophobicContact CD1-CD2 4.12Å; L362-L373 HydrophobicContact CD1-CB 4.47Å; L362-L373 HydrophobicContact CD1-CD1 4.18Å; A369-L373 PolarHBondContact O-N 2.84Å; K370-L373 WeakPolarHBondContact O-CB 3.32Å; K370-L373 PolarHBondContact O-N 3.46Å; K370-L373 VanDerWaalsContact O-N 3.13Å; L373-G376 PolarHBondContact O-N 3.03Å; L373-C377 PolarHBondContact O-N 3.43Å; L373-C377 PolarHBondContact O-SG 2.98Å
374L91.8Very high86.1Confident0 Ų032.5 Ų32.50%020%0.201CC..Hα-helixtrans-59.4-48.4175.1-67.6-172.5000111.9K370 V372 C377 T378 L386 A424 D426 L466 A468K370-L374 WeakPolarHBondContact O-CG 3.23Å; K370-L374 PolarHBondContact O-N 3.16Å; V372-L374 VanDerWaalsContact C-N 3.34Å; V372-L374 PolarHBondContact O-N 2.67Å; L374-C377 PolarHBondContact O-N 2.78Å; L374-T378 WeakPolarHBondContact O-CB 3.32Å; L374-T378 PolarHBondContact O-N 3.32Å; L374-T378 PolarHBondContact O-OG1 2.74Å; L374-L386 HydrophobicContact CB-CD1 4.2Å; L374-L386 HydrophobicContact CD1-CD1 4.39Å; L374-A424 HydrophobicContact CB-CB 4.45Å; L374-A424 HydrophobicContact CD2-CB 4.32Å; L374-D426 HydrophobicContact CD1-CB 3.9Å; L374-L466 HydrophobicContact CD2-CB 4.33Å; L374-L466 HydrophobicContact CD2-CD1 4.39Å; L374-L466 HydrophobicContact CD2-CD2 3.39Å; L374-L466 HydrophobicContact CD2-CG 3.38Å; L374-A468 HydrophobicContact CD1-CB 3.67Å; L374-A468 HydrophobicContact CD2-CB 4.42Å; L374-A468 HydrophobicContact CG-CB 4.19Å
375R89.9Confident86.2Confident145 Ų14533 Ų3355%0.54720%0.203SC..Hα-helixtrans-64.9-42.7178.7-70.9175.1-159.61424.3111.5S371 V372 C377 T378 S379 L386S371-R375 VanDerWaalsContact O-CG 3.3Å; S371-R375 WeakPolarHBondContact O-CG 3.44Å; S371-R375 PolarHBondContact O-N 2.93Å; V372-R375 PolarHBondContact O-N 2.8Å; R375-C377 PolarHBondContact O-N 2.78Å; R375-T378 PolarHBondContact O-N 3.19Å; R375-S379 WeakPolarHBondContact O-CB 3.18Å; R375-S379 PolarHBondContact O-N 3Å; R375-L386 HydrophobicContact CG-CD2 3.97Å
376G88.2Confident86.4Confident12 Ų1233.7 Ų33.712%0.12421%0.207CC..Hα-helixtrans-57.9-47.8175.800000111.9V372 L373 S379 L380V372-G376 PolarHBondContact O-N 3.16Å; L373-G376 PolarHBondContact O-N 3.03Å; G376-S379 PolarHBondContact O-N 3.32Å; G376-S379 PolarHBondContact O-OG 3.2Å; G376-L380 WeakPolarHBondContact O-CG 3.23Å; G376-L380 PolarHBondContact O-N 3.09Å
377C90.7Very high86.6Confident0 Ų029.1 Ų29.10%018%0.177CC..Hα-helixtrans-66.6-40.7177.4-64.90000113L373 L374 R375 S379 L380 C381 L422 L466L373-C377 PolarHBondContact O-N 3.43Å; L373-C377 PolarHBondContact O-SG 2.98Å; L374-C377 PolarHBondContact O-N 2.78Å; R375-C377 PolarHBondContact O-N 2.78Å; C377-S379 PolarHBondContact O-N 3.04Å; C377-L380 PolarHBondContact O-N 3.32Å; C377-L380 VanDerWaalsContact O-N 3.14Å; C377-C381 PolarHBondContact O-N 2.9Å; C377-L422 HydrophobicContact CB-CD2 3.74Å; C377-L466 HydrophobicContact CB-CD2 4.02Å
378T88.4Confident86.9Confident6 Ų628.2 Ų28.24%0.03716%0.156CC..Hα-helixtrans-59.9-38.5175.1-55.70000110.3L374 R375 L380 C381 A384 L386L374-T378 WeakPolarHBondContact O-CB 3.32Å; L374-T378 PolarHBondContact O-N 3.32Å; L374-T378 PolarHBondContact O-OG1 2.74Å; R375-T378 PolarHBondContact O-N 3.19Å; T378-L380 VanDerWaalsContact C-N 3.32Å; T378-L380 PolarHBondContact O-N 2.8Å; T378-C381 PolarHBondContact O-N 2.8Å; T378-A384 HydrophobicContact CG2-CB 3.63Å; T378-L386 HydrophobicContact CG2-CB 4.25Å
379S86Confident86.8Confident24 Ų2427.9 Ų27.917%0.16815%0.154CC..Hα-helixtrans-70.3-24.517879.90000113.8R375 G376 C377 K543R375-S379 WeakPolarHBondContact O-CB 3.18Å; R375-S379 PolarHBondContact O-N 3Å; G376-S379 PolarHBondContact O-N 3.32Å; G376-S379 PolarHBondContact O-OG 3.2Å; C377-S379 PolarHBondContact O-N 3.04Å; S379-K543 WeakPolarHBondContact O-CE 3.34Å; S379-K543 PolarHBondContact O-NZ 3.04Å
380L86.6Confident86.6Confident8 Ų831 Ų314%0.04217%0.17CC..Hα-helixtrans-88.3-11.6179.8-68.6172.2000113.6I313 L331 G376 C377 T378 L542 K543I313-L380 HydrophobicContact CG1-CD1 4.32Å; I313-L380 HydrophobicContact CG2-CD1 4.07Å; L331-L380 HydrophobicContact CD1-CB 4.15Å; L331-L380 HydrophobicContact CD1-CD1 3.95Å; G376-L380 WeakPolarHBondContact O-CG 3.23Å; G376-L380 PolarHBondContact O-N 3.09Å; C377-L380 PolarHBondContact O-N 3.32Å; C377-L380 VanDerWaalsContact O-N 3.14Å; T378-L380 VanDerWaalsContact C-N 3.32Å; T378-L380 PolarHBondContact O-N 2.8Å; L380-L542 HydrophobicContact CD2-CB 3.96Å; L380-L542 HydrophobicContact CD2-CD1 3.92Å; L380-K543 WeakPolarHBondContact O-CG 3.13Å
381C82.8Confident86.1Confident14 Ų1433.5 Ų33.510%0.09520%0.199CC..  trans-97.6143.4175-69.50000110.5L331 C377 T378 A384 L422L331-C381 WeakPolarHBondContact CD2-SG 3.32Å; C377-C381 PolarHBondContact O-N 2.9Å; T378-C381 PolarHBondContact O-N 2.8Å; C381-A384 HydrophobicContact CB-CB 3.72Å; C381-L422 HydrophobicContact CB-CB 4.46Å
382D74.2Confident85.7Confident64 Ų6432.8 Ų32.834%0.34219%0.193SC..SBendtrans-73.2-35.7170-67.6-11.1000111.8V547D382-V547 WeakPolarHBondContact OD2-CG2 3.47Å
383R77.2Confident85.4Confident34 Ų3434.6 Ų34.613%0.12820%0.204CC..SBendtrans-114.294.5177.1-169.1167.7-178.21798109.3G233 V416 L417 D419 G421 L422G233-R383 PolarHBondContact O-NH2 3Å; R383-V416 PolarHBondContact NH2-O 3.41Å; R383-L417 PolarHBondContact NE-O 2.95Å; R383-L417 PolarHBondContact NH2-O 3.47Å; R383-D419 WeakPolarHBondContact CD-O 3.33Å; R383-D419 PolarHBondContact NE-O 2.63Å; R383-D419 PolarHBondContact NH1-O 2.85Å; R383-G421 CarbonylContact O-C 3.5Å; R383-G421 WeakPolarHBondContact O-CA 3.47Å; R383-L422 PolarHBondContact O-N 2.94Å
384A84.4Confident85Confident9 Ų935.4 Ų35.47%0.07421%0.211CC..EExtended strand (participates in β ladder)trans-142.2144.1173.500000113.5T378 C381 L422T378-A384 HydrophobicContact CG2-CB 3.63Å; C381-A384 HydrophobicContact CB-CB 3.72Å; A384-L422 CarbonylContact C-O 3.56Å; A384-L422 WeakPolarHBondContact CA-O 3.44Å; A384-L422 HydrophobicContact CB-CB 4.06Å
385V85.8Confident84.6Confident13 Ų1337 Ų378%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-125118.8177.1-177.50000108.5F206 A414 L417 A418 L422 A424F206-V385 HydrophobicContact CD1-CG2 4.22Å; F206-V385 HydrophobicContact CE1-CG2 3.73Å; F206-V385 HydrophobicContact CZ-CG2 4.17Å; V385-A414 HydrophobicContact CG1-CB 3.88Å; V385-L417 HydrophobicContact CG2-CB 4.3Å; V385-A418 HydrophobicContact CB-CB 4.3Å; V385-A418 HydrophobicContact CG2-CB 3.99Å; V385-L422 PolarHBondContact N-O 3.42Å; V385-A424 PolarHBondContact O-N 2.92Å
386L89Confident84.4Confident62 Ų6231.8 Ų31.833%0.32522%0.215SC..EExtended strand (participates in β ladder)trans-94125.6171.4-17966.9000109.2L374 R375 T378 A424L374-L386 HydrophobicContact CB-CD1 4.2Å; L374-L386 HydrophobicContact CD1-CD1 4.39Å; R375-L386 HydrophobicContact CG-CD2 3.97Å; T378-L386 HydrophobicContact CG2-CB 4.25Å; L386-A424 WeakPolarHBondContact CA-O 3.43Å; L386-A424 HydrophobicContact CD1-CB 3.59Å
387T87.1Confident84.3Confident12 Ų1231.2 Ų31.27%0.07421%0.209CC..EExtended strand (participates in β ladder)trans-134.2145-179.5178.40000110.6T392 L397 A424 I425 D426T387-T392 WeakPolarHBondContact OG1-CG2 3.37Å; T387-T392 PolarHBondContact OG1-OG1 3.5Å; T387-L397 HydrophobicContact CG2-CD2 4.13Å; T387-A424 WeakPolarHBondContact CG2-O 3.35Å; T387-A424 PolarHBondContact N-O 3.36Å; T387-I425 HydrophobicContact CG2-CB 4.28Å; T387-I425 HydrophobicContact CG2-CG1 3.76Å; T387-I425 HydrophobicContact CG2-CG2 4.36Å; T387-I425 CarbonylContact O-C 3.48Å; T387-I425 WeakPolarHBondContact O-CA 3.48Å; T387-D426 PolarHBondContact O-N 3.43Å
388T88.1Confident84.1Confident59 Ų5931.5 Ų31.536%0.36221%0.211SC..EExtended strand (participates in β ladder)trans-98.7138.9170.661.60000109.4T390 G391 T392 D426T388-T390 VanDerWaalsContact C-N 3.28Å; T388-T390 PolarHBondContact O-N 3.42Å; T388-G391 PolarHBondContact O-N 3.04Å; T388-G391 PolarHBondContact OG1-N 3.37Å; T388-T392 PolarHBondContact O-N 2.85Å; T388-T392 PolarHBondContact O-OG1 2.9Å; T388-D426 HydrophobicContact CG2-CB 4.37Å
389A83.3Confident84Confident1 Ų131.2 Ų31.21%0.00821%0.209CC..THydrogen-bonded Turntrans-62.9-35.3179.200000113.1T392 I425 D426 E427 A430 L431A389-T392 PolarHBondContact O-N 3.32Å; A389-I425 HydrophobicContact CB-CG2 4.5Å; A389-D426 WeakPolarHBondContact CB-O 3.46Å; A389-D426 PolarHBondContact N-O 3.33Å; A389-E427 HydrophobicContact CB-CB 4.33Å; A389-E427 WeakPolarHBondContact CB-O 3.37Å; A389-A430 HydrophobicContact CB-CB 4.1Å; A389-L431 HydrophobicContact CB-CD2 3.55Å; A389-L431 HydrophobicContact CB-CG 3.59Å
390T83.4Confident84.1Confident95 Ų9531.9 Ų31.958%0.58321%0.212SC*.THydrogen-bonded Turntrans-68.8-35.9-179.943.80000112.6T388 E427 A430T388-T390 VanDerWaalsContact C-N 3.28Å; T388-T390 PolarHBondContact O-N 3.42Å; T390-E427 WeakPolarHBondContact CG2-OE2 2.85Å; T390-E427 PolarHBondContact OG1-OE2 3.28Å; T390-E427 VanDerWaalsContact OG1-OE2 3.08Å; T390-A430 HydrophobicContact CG2-CB 3.63Å
391G79.7Confident84.2Confident63 Ų6332.6 Ų32.665%0.64922%0.22SC*.THydrogen-bonded Turntrans-85.6-7.4179.400000114.7T388T388-G391 PolarHBondContact O-N 3.04Å; T388-G391 PolarHBondContact OG1-N 3.37Å
392T80.8Confident84.4Confident24 Ų2434.2 Ų34.215%0.14723%0.227CC..  trans-116.1129.1-172.852.10000114.5T387 T388 A389 H435T387-T392 WeakPolarHBondContact OG1-CG2 3.37Å; T387-T392 PolarHBondContact OG1-OG1 3.5Å; T388-T392 PolarHBondContact O-N 2.85Å; T388-T392 PolarHBondContact O-OG1 2.9Å; A389-T392 PolarHBondContact O-N 3.32Å; T392-H435 PolarHBondContact O-CD2 3.16Å
393T84.3Confident85Confident81 Ų8140.2 Ų40.250%0.49725%0.245SC..  trans-90.7162.5169.460.50000110A395 G396 L397T393-A395 PolarHBondContact O-N 3.31Å; T393-A395 VanDerWaalsContact O-N 3.1Å; T393-A395 WeakPolarHBondContact OG1-CB 3.28Å; T393-G396 WeakPolarHBondContact O-CA 3.46Å; T393-G396 PolarHBondContact O-N 3.16Å; T393-G396 PolarHBondContact OG1-N 3.48Å; T393-L397 PolarHBondContact O-N 2.78Å
394A83.7Confident85.2Confident18 Ų1840.6 Ų40.615%0.14925%0.249CC..Hα-helixtrans-52-35.1172.200000111.9L397 T398 H435A394-L397 PolarHBondContact O-N 2.78Å; A394-T398 WeakPolarHBondContact O-CB 3.16Å; A394-T398 PolarHBondContact O-N 3.23Å; A394-T398 PolarHBondContact O-OG1 3.25Å; A394-H435 WeakPolarHBondContact CA-ND1 3.48Å; A394-H435 HydrophobicContact CB-CB 4.49Å; A394-H435 WeakPolarHBondContact CB-ND1 3.41Å; A394-H435 PolarHBondContact N-CE1 2.9Å; A394-H435 PolarHBondContact N-ND1 3.17Å
395A83.2Confident85Confident33 Ų3345.6 Ų45.627%0.27328%0.284SS..Hα-helixtrans-57.8-49.4172.900000112T393 T400T393-A395 PolarHBondContact O-N 3.31Å; T393-A395 VanDerWaalsContact O-N 3.1Å; T393-A395 WeakPolarHBondContact OG1-CB 3.28Å; A395-T400 HydrophobicContact CB-CG2 3.26Å; A395-T400 VanDerWaalsContact O-CG2 3.29Å; A395-T400 WeakPolarHBondContact O-CG2 3.45Å
396G84.8Confident84.3Confident35 Ų3547 Ų4736%0.36129%0.292SS..Hα-helixtrans-70.3-26.5177.500000114.5T393 G413 A414T393-G396 WeakPolarHBondContact O-CA 3.46Å; T393-G396 PolarHBondContact O-N 3.16Å; T393-G396 PolarHBondContact OG1-N 3.48Å; G396-G413 CarbonylContact O-C 3.58Å; G396-G413 WeakPolarHBondContact O-CA 3.47Å; G396-A414 PolarHBondContact O-N 2.87Å
397L86Confident83.9Confident0 Ų045.2 Ų45.20%029%0.289CS..Hα-helixtrans-81-39.6176.6-69.5172.4000113T387 T393 A394 A414 L415 L431 H435 V439T387-L397 HydrophobicContact CG2-CD2 4.13Å; T393-L397 PolarHBondContact O-N 2.78Å; A394-L397 PolarHBondContact O-N 2.78Å; L397-A414 HydrophobicContact CD2-CB 4.38Å; L397-A414 PolarHBondContact O-N 3.29Å; L397-L415 HydrophobicContact CB-CD1 4.36Å; L397-L415 VanDerWaalsContact O-CB 3.29Å; L397-L415 WeakPolarHBondContact O-CB 3.24Å; L397-L415 WeakPolarHBondContact O-CG 3.41Å; L397-L415 PolarHBondContact O-N 3.4Å; L397-L431 HydrophobicContact CD1-CD2 4.1Å; L397-H435 HydrophobicContact CD1-CB 4.2Å; L397-V439 HydrophobicContact CD1-CG2 4.33Å
398T86.2Confident83.9Confident7 Ų750.3 Ų50.34%0.04331%0.307CS..SBendtrans-96-96.4-172.658.70000112.7A394 G413 V416 A438 I448A394-T398 WeakPolarHBondContact O-CB 3.16Å; A394-T398 PolarHBondContact O-N 3.23Å; A394-T398 PolarHBondContact O-OG1 3.25Å; T398-G413 WeakPolarHBondContact O-CA 3.31Å; T398-G413 PolarHBondContact O-N 2.87Å; T398-V416 VanDerWaalsContact O-CG2 3.23Å; T398-V416 WeakPolarHBondContact O-CG2 3.44Å; T398-A438 HydrophobicContact CG2-CB 3.45Å; T398-A438 VanDerWaalsContact CG2-CB 3.45Å; T398-I448 HydrophobicContact CG2-CD1 4.11Å; T398-I448 HydrophobicContact CG2-CG2 4.12Å
399A87Confident83.8Confident0 Ų047.6 Ų47.60%029%0.29CS..EExtended strand (participates in β ladder)trans-158.8156.8165.800000109.1D411 L450 K452 L459A399-D411 CarbonylContact C-O 3.6Å; A399-D411 WeakPolarHBondContact CA-O 3.45Å; A399-D411 VanDerWaalsContact CB-O 3.23Å; A399-D411 WeakPolarHBondContact CB-O 3.36Å; A399-L450 HydrophobicContact CB-CD1 3.2Å; A399-K452 PolarHBondContact O-NZ 3.29Å; A399-K452 VanDerWaalsContact O-NZ 3.16Å; A399-L459 HydrophobicContact CB-CD1 3.7Å
400T87.5Confident83.9Confident37 Ų3748.7 Ų48.723%0.22730%0.296CS..EExtended strand (participates in β ladder)trans-117.2143.3179.564.40000111.2A395 L410 D411A395-T400 HydrophobicContact CB-CG2 3.26Å; A395-T400 VanDerWaalsContact O-CG2 3.29Å; A395-T400 WeakPolarHBondContact O-CG2 3.45Å; T400-L410 CarbonylContact O-C 3.6Å; T400-L410 WeakPolarHBondContact O-CA 3.4Å; T400-D411 PolarHBondContact N-O 2.97Å; T400-D411 PolarHBondContact O-N 2.76Å
401A88.6Confident84.1Confident24 Ų2445.4 Ų45.420%0.19828%0.275CS..EExtended strand (participates in β ladder)trans-89.5117.9168.500000107.8W408 T409 L410 K452 A453A401-W408 HydrophobicContact CB-CE3 4.33Å; A401-T409 CarbonylContact C-O 3.54Å; A401-T409 WeakPolarHBondContact CA-O 3.12Å; A401-L410 HydrophobicContact CB-CD2 4.23Å; A401-K452 HydrophobicContact CB-CB 4.05Å; A401-A453 HydrophobicContact CB-CB 4.08Å
402I88.4Confident84.5Confident48 Ų4843 Ų4325%0.24625%0.248CC..EExtended strand (participates in β ladder)trans-112.2140.6178.9-61.5177.4000107.8R131 W408 T409 D411R131-I402 VanDerWaalsContact CZ-CD1 3.46Å; I402-W408 WeakPolarHBondContact O-CA 3.41Å; I402-T409 PolarHBondContact N-O 3.26Å; I402-T409 PolarHBondContact O-N 2.96Å; I402-T409 PolarHBondContact O-OG1 3.46Å; I402-D411 HydrophobicContact CD1-CB 3.67Å; I402-D411 WeakPolarHBondContact CD1-OD2 3.43Å; I402-D411 HydrophobicContact CG1-CB 4.32Å
403R87Confident84.8Confident189 Ų18942.1 Ų42.171%0.71324%0.244SC*.EExtended strand (participates in β ladder)trans-89.4108.1175.9-171.4177177.3-177.30.1109.2W408R403-W408 HydrophobicContact CB-CD2 4.13Å; R403-W408 HydrophobicContact CB-CE3 3.82Å; R403-W408 HydrophobicContact CB-CH2 4.05Å; R403-W408 HydrophobicContact CB-CZ2 4.33Å; R403-W408 HydrophobicContact CB-CZ3 3.79Å; R403-W408 HydrophobicContact CG-CD2 4.39Å; R403-W408 HydrophobicContact CG-CZ2 4.49Å
404D81.5Confident84.9Confident42 Ų4238.7 Ų38.723%0.22523%0.225CC..EExtended strand (participates in β ladder)trans-87.6171.5167.9-73.2-31.4000110.3R131 T406 G407 T409R131-D404 IonicContact NH1-OD1 3.71Å; D404-T406 PolarHBondContact O-N 3.24Å; D404-T406 VanDerWaalsContact O-N 3.14Å; D404-G407 PolarHBondContact N-O 3.24Å; D404-G407 PolarHBondContact O-N 3.5Å; D404-G407 VanDerWaalsContact O-O 3.12Å; D404-T409 HydrophobicContact CB-CG2 4.13Å; D404-T409 VanDerWaalsContact OD2-CG2 3.26Å; D404-T409 WeakPolarHBondContact OD2-CG2 3.4Å; D404-T409 PolarHBondContact OD2-OG1 3.37Å
405S78.5Confident85.1Confident114 Ų11437.9 Ų37.980%0.79722%0.218SC*.THydrogen-bonded Turntrans-60.8-23.1179.351.10000113.5
406T71.8Confident85.3Confident42 Ų4236.4 Ų36.426%0.25821%0.205SC..THydrogen-bonded Turntrans-95.8-12.2-175.953.40000113.5D404D404-T406 PolarHBondContact O-N 3.24Å; D404-T406 VanDerWaalsContact O-N 3.14Å
407G81.5Confident85.3Confident25 Ų2535.4 Ų35.426%0.25819%0.192SC..EExtended strand (participates in β ladder)trans148.7-168.2-175.100000112.7D404D404-G407 PolarHBondContact N-O 3.24Å; D404-G407 PolarHBondContact O-N 3.5Å; D404-G407 VanDerWaalsContact O-O 3.12Å
408W86Confident85.3Confident119 Ų11935.4 Ų35.445%0.45119%0.192SC..EExtended strand (participates in β ladder)trans-82.8130.5172.3-66.497.6000109.9A401 I402 R403 A453 L455A401-W408 HydrophobicContact CB-CE3 4.33Å; I402-W408 WeakPolarHBondContact O-CA 3.41Å; R403-W408 HydrophobicContact CB-CD2 4.13Å; R403-W408 HydrophobicContact CB-CE3 3.82Å; R403-W408 HydrophobicContact CB-CH2 4.05Å; R403-W408 HydrophobicContact CB-CZ2 4.33Å; R403-W408 HydrophobicContact CB-CZ3 3.79Å; R403-W408 HydrophobicContact CG-CD2 4.39Å; R403-W408 HydrophobicContact CG-CZ2 4.49Å; W408-A453 HydrophobicContact CD2-CB 3.6Å; W408-A453 HydrophobicContact CE3-CB 3.68Å; W408-A453 HydrophobicContact CG-CB 4Å; W408-A453 HydrophobicContact CH2-CB 4.37Å; W408-A453 HydrophobicContact CZ2-CB 4.31Å; W408-A453 HydrophobicContact CZ3-CB 4.07Å; W408-L455 HydrophobicContact CB-CD1 3.76Å; W408-L455 HydrophobicContact CB-CG 4.23Å
409T86.7Confident85.2Confident2 Ų235.6 Ų35.61%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-121.7151.5177.561.50000109.8A401 I402 D404A401-T409 CarbonylContact C-O 3.54Å; A401-T409 WeakPolarHBondContact CA-O 3.12Å; I402-T409 PolarHBondContact N-O 3.26Å; I402-T409 PolarHBondContact O-N 2.96Å; I402-T409 PolarHBondContact O-OG1 3.46Å; D404-T409 HydrophobicContact CB-CG2 4.13Å; D404-T409 VanDerWaalsContact OD2-CG2 3.26Å; D404-T409 WeakPolarHBondContact OD2-CG2 3.4Å; D404-T409 PolarHBondContact OD2-OG1 3.37Å
410L86.2Confident84.8Confident25 Ų2537.3 Ų37.313%0.13121%0.21CC..EExtended strand (participates in β ladder)trans-95.3132.1175.4-67.7172.6000109.7R131 T400 A401 L455 A457R131-L410 WeakPolarHBondContact CA-O 3.35Å; T400-L410 CarbonylContact O-C 3.6Å; T400-L410 WeakPolarHBondContact O-CA 3.4Å; A401-L410 HydrophobicContact CB-CD2 4.23Å; L410-L455 HydrophobicContact CD2-CB 4.4Å; L410-L455 HydrophobicContact CD2-CD1 3.95Å; L410-L455 HydrophobicContact CG-CD1 3.88Å; L410-A457 HydrophobicContact CD1-CB 3.43Å; L410-A457 VanDerWaalsContact CD1-CB 3.43Å
411D87.2Confident84.6Confident25 Ų2535.7 Ų35.713%0.13420%0.201CC..EExtended strand (participates in β ladder)trans-111.6119.1174.9-159.813.5000109.7R131 A399 T400 I402R131-D411 HydrophobicContact CG-CB 3.93Å; R131-D411 VanDerWaalsContact CG-OD1 3.27Å; R131-D411 WeakPolarHBondContact CG-OD1 3.23Å; R131-D411 IonicContact CZ-OD2 3.92Å; R131-D411 VanDerWaalsContact CZ-OD2 3.27Å; R131-D411 IonicContact NE-OD1 3.8Å; R131-D411 PolarHBondContact NE-OD1 3.06Å; R131-D411 IonicContact NE-OD2 3.95Å; R131-D411 PolarHBondContact NE-OD2 3.22Å; R131-D411 IonicContact NH2-OD2 3.66Å; R131-D411 PolarHBondContact NH2-OD2 2.92Å; A399-D411 CarbonylContact C-O 3.6Å; A399-D411 WeakPolarHBondContact CA-O 3.45Å; A399-D411 VanDerWaalsContact CB-O 3.23Å; A399-D411 WeakPolarHBondContact CB-O 3.36Å; T400-D411 PolarHBondContact N-O 2.97Å; T400-D411 PolarHBondContact O-N 2.76Å; I402-D411 HydrophobicContact CD1-CB 3.67Å; I402-D411 WeakPolarHBondContact CD1-OD2 3.43Å; I402-D411 HydrophobicContact CG1-CB 4.32Å
412A86.5Confident84.7Confident12 Ų1234.7 Ų34.710%0.09919%0.192CC..EExtended strand (participates in β ladder)trans-65.9133.7-176.300000112.7S130 P232 V416 L417S130-A412 PolarHBondContact O-N 2.87Å; S130-A412 VanDerWaalsContact O-N 3.14Å; P232-A412 HydrophobicContact CB-CB 4.3Å; A412-V416 HydrophobicContact CB-CB 4.11Å; A412-V416 HydrophobicContact CB-CG1 3.9Å; A412-L417 HydrophobicContact CB-CD2 4.03Å; A412-L417 HydrophobicContact CB-CG 4.15Å
413G87.3Confident84.8Confident6 Ų632.4 Ų32.46%0.06218%0.181CC..  trans-89.6-178.6172.800000113.3G396 T398 L415 V416 L417G396-G413 CarbonylContact O-C 3.58Å; G396-G413 WeakPolarHBondContact O-CA 3.47Å; T398-G413 WeakPolarHBondContact O-CA 3.31Å; T398-G413 PolarHBondContact O-N 2.87Å; G413-L415 VanDerWaalsContact C-N 3.34Å; G413-L415 PolarHBondContact O-N 2.94Å; G413-V416 PolarHBondContact O-N 2.87Å; G413-L417 WeakPolarHBondContact O-CB 3.45Å; G413-L417 VanDerWaalsContact O-CG 3.24Å; G413-L417 WeakPolarHBondContact O-CG 3.41Å; G413-L417 PolarHBondContact O-N 3.37Å
414A86.9Confident85.1Confident10 Ų1023.4 Ų23.48%0.08315%0.147CC..Hα-helixtrans-56.3-39.8-172.800000114.4V385 G396 L397 A418V385-A414 HydrophobicContact CG1-CB 3.88Å; G396-A414 PolarHBondContact O-N 2.87Å; L397-A414 HydrophobicContact CD2-CB 4.38Å; L397-A414 PolarHBondContact O-N 3.29Å; A414-A418 WeakPolarHBondContact O-CB 3.46Å; A414-A418 PolarHBondContact O-N 3.28Å; A414-A418 VanDerWaalsContact O-N 3.12Å
415L88.3Confident85.6Confident0 Ų021.4 Ų21.40%014%0.136CC..Hα-helixtrans-70.4-41.6-179.2-68.3168.2000112L397 G413 A418 D419 C423 V439 A442 I448L397-L415 HydrophobicContact CB-CD1 4.36Å; L397-L415 VanDerWaalsContact O-CB 3.29Å; L397-L415 WeakPolarHBondContact O-CB 3.24Å; L397-L415 WeakPolarHBondContact O-CG 3.41Å; L397-L415 PolarHBondContact O-N 3.4Å; G413-L415 VanDerWaalsContact C-N 3.34Å; G413-L415 PolarHBondContact O-N 2.94Å; L415-A418 PolarHBondContact O-N 3.41Å; L415-D419 PolarHBondContact O-N 2.89Å; L415-C423 HydrophobicContact CD2-CB 4.12Å; L415-V439 HydrophobicContact CD1-CG2 4.27Å; L415-A442 HydrophobicContact CD1-CB 4.07Å; L415-I448 HydrophobicContact CB-CD1 4.06Å; L415-I448 HydrophobicContact CD1-CD1 4.03Å
416V88.1Confident86.2Confident3 Ų317.1 Ų17.12%0.01810%0.104CC..Hα-helixtrans-67.7-41.2178.2-179.70000110.1P232 R383 T398 A412 G413 A418 D419 I448 L459 C461P232-V416 WeakPolarHBondContact O-CG1 3.19Å; R383-V416 PolarHBondContact NH2-O 3.41Å; T398-V416 VanDerWaalsContact O-CG2 3.23Å; T398-V416 WeakPolarHBondContact O-CG2 3.44Å; A412-V416 HydrophobicContact CB-CB 4.11Å; A412-V416 HydrophobicContact CB-CG1 3.9Å; G413-V416 PolarHBondContact O-N 2.87Å; V416-A418 PolarHBondContact O-N 3.33Å; V416-D419 WeakPolarHBondContact O-CB 3.25Å; V416-D419 PolarHBondContact O-N 3.04Å; V416-I448 HydrophobicContact CG2-CD1 4.42Å; V416-L459 HydrophobicContact CG1-CB 4.31Å; V416-L459 HydrophobicContact CG1-CD1 4.22Å; V416-L459 HydrophobicContact CG2-CB 4.05Å; V416-L459 HydrophobicContact CG2-CD1 3.8Å; V416-C461 VanDerWaalsContact CG2-SG 3.54Å
417L84.4Confident87Confident14 Ų1418.7 Ų18.77%0.07311%0.108CC..Hα-helixtrans-62.9-28175.2-72.3175.9000112.8I128 F206 R383 V385 A412 G413I128-L417 HydrophobicContact CG2-CD2 3.98Å; F206-L417 HydrophobicContact CE2-CB 4.42Å; F206-L417 HydrophobicContact CZ-CB 3.78Å; F206-L417 HydrophobicContact CZ-CD1 4.12Å; F206-L417 HydrophobicContact CZ-CD2 4.15Å; F206-L417 HydrophobicContact CZ-CG 4.22Å; R383-L417 PolarHBondContact NE-O 2.95Å; R383-L417 PolarHBondContact NH2-O 3.47Å; V385-L417 HydrophobicContact CG2-CB 4.3Å; A412-L417 HydrophobicContact CB-CD2 4.03Å; A412-L417 HydrophobicContact CB-CG 4.15Å; G413-L417 WeakPolarHBondContact O-CB 3.45Å; G413-L417 VanDerWaalsContact O-CG 3.24Å; G413-L417 WeakPolarHBondContact O-CG 3.41Å; G413-L417 PolarHBondContact O-N 3.37Å
418A84.8Confident87.3Confident0 Ų017.5 Ų17.50%010%0.096CC..THydrogen-bonded Turntrans-90.410.3179.100000114.6V385 A414 L415 V416 G420 G421 C423 C463V385-A418 HydrophobicContact CB-CB 4.3Å; V385-A418 HydrophobicContact CG2-CB 3.99Å; A414-A418 WeakPolarHBondContact O-CB 3.46Å; A414-A418 PolarHBondContact O-N 3.28Å; A414-A418 VanDerWaalsContact O-N 3.12Å; L415-A418 PolarHBondContact O-N 3.41Å; V416-A418 PolarHBondContact O-N 3.33Å; A418-G420 PolarHBondContact O-N 3.33Å; A418-G421 WeakPolarHBondContact O-CA 3.27Å; A418-G421 PolarHBondContact O-N 3.46Å; A418-C423 HydrophobicContact CB-CB 4.04Å; A418-C463 HydrophobicContact CB-CB 4.13Å; A418-C463 WeakPolarHBondContact O-CB 3.25Å
419D84.5Confident87.3Confident10 Ų1014.2 Ų14.25%0.0539%0.089CC..THydrogen-bonded Turntrans-50.4132.2179.9-175.249.2000112.7R383 L415 V416 G421 R462R383-D419 WeakPolarHBondContact CD-O 3.33Å; R383-D419 PolarHBondContact NE-O 2.63Å; R383-D419 PolarHBondContact NH1-O 2.85Å; L415-D419 PolarHBondContact O-N 2.89Å; V416-D419 WeakPolarHBondContact O-CB 3.25Å; V416-D419 PolarHBondContact O-N 3.04Å; D419-G421 PolarHBondContact O-N 2.92Å; D419-G421 VanDerWaalsContact O-N 3.12Å; D419-R462 WeakPolarHBondContact OD1-CA 3.42Å; D419-R462 VanDerWaalsContact OD1-CB 3.22Å; D419-R462 WeakPolarHBondContact OD1-CB 3.42Å; D419-R462 PolarHBondContact OD1-N 3.37Å; D419-R462 IonicContact OD1-NE 2.66Å; D419-R462 PolarHBondContact OD1-NE 3.29Å; D419-R462 IonicContact OD2-NE 2.96Å; D419-R462 IonicContact OD2-NH2 3.81Å; D419-R462 PolarHBondContact OD2-NH2 3.07Å
420G78.5Confident87.3Confident37 Ų3716 Ų1638%0.38110%0.104SC..THydrogen-bonded Turntrans68.92.1-175.600000115.9A418 R462A418-G420 PolarHBondContact O-N 3.33Å; G420-R462 WeakPolarHBondContact CA-O 3.45Å; G420-R462 PolarHBondContact N-O 3.34Å
421G84.6Confident87.2Confident3 Ų315.1 Ų15.13%0.03110%0.1CC..SBendtrans-120.4-146.7-177.100000113.9R383 A418 D419 S464R383-G421 CarbonylContact O-C 3.5Å; R383-G421 WeakPolarHBondContact O-CA 3.47Å; A418-G421 WeakPolarHBondContact O-CA 3.27Å; A418-G421 PolarHBondContact O-N 3.46Å; D419-G421 PolarHBondContact O-N 2.92Å; D419-G421 VanDerWaalsContact O-N 3.12Å; G421-S464 PolarHBondContact O-N 3.37Å
422L89.9Confident87Confident3 Ų320 Ų202%0.01612%0.122CC..EExtended strand (participates in β ladder)trans-118.2126.7179176.965.9000111.2M330 C377 C381 R383 A384 V385 S464 L466M330-L422 HydrophobicContact CE-CD1 3.41Å; M330-L422 VanDerWaalsContact CE-CD1 3.41Å; M330-L422 HydrophobicContact CE-CD2 3.93Å; M330-L422 HydrophobicContact CE-CG 4.32Å; M330-L422 HydrophobicContact SD-CD1 3.66Å; C377-L422 HydrophobicContact CB-CD2 3.74Å; C381-L422 HydrophobicContact CB-CB 4.46Å; R383-L422 PolarHBondContact O-N 2.94Å; A384-L422 CarbonylContact C-O 3.56Å; A384-L422 WeakPolarHBondContact CA-O 3.44Å; A384-L422 HydrophobicContact CB-CB 4.06Å; V385-L422 PolarHBondContact N-O 3.42Å; L422-S464 CarbonylContact C-O 3.57Å; L422-S464 WeakPolarHBondContact CA-O 3.42Å; L422-S464 WeakPolarHBondContact CD1-O 3.4Å; L422-L466 HydrophobicContact CD1-CB 3.72Å
423C91.2Very high86.9Confident0 Ų022.1 Ų22.10%015%0.145CC..EExtended strand (participates in β ladder)trans-104.4113.1167-173.80000109.1L415 A418 S464 V465 L466L415-C423 HydrophobicContact CD2-CB 4.12Å; A418-C423 HydrophobicContact CB-CB 4.04Å; C423-S464 PolarHBondContact N-O 3.04Å; C423-V465 WeakPolarHBondContact O-CA 3.29Å; C423-L466 PolarHBondContact O-N 3.41Å
424A92.6Very high86.7Confident0 Ų027 Ų270%017%0.172CC..EExtended strand (participates in β ladder)trans-97.5119.1176.800000109.8L374 V385 L386 T387 L466L374-A424 HydrophobicContact CB-CB 4.45Å; L374-A424 HydrophobicContact CD2-CB 4.32Å; V385-A424 PolarHBondContact O-N 2.92Å; L386-A424 WeakPolarHBondContact CA-O 3.43Å; L386-A424 HydrophobicContact CD1-CB 3.59Å; T387-A424 WeakPolarHBondContact CG2-O 3.35Å; T387-A424 PolarHBondContact N-O 3.36Å; A424-L466 CarbonylContact C-O 3.41Å; A424-L466 VanDerWaalsContact CA-O 3.27Å; A424-L466 WeakPolarHBondContact CA-O 3.47Å
425I91.9Very high86.7Confident0 Ų027.8 Ų27.80%018%0.175CC..EExtended strand (participates in β ladder)trans-114113.9179.9-50.4178.2000109.3T387 A389 F428 V465 L466 A467 A468T387-I425 HydrophobicContact CG2-CB 4.28Å; T387-I425 HydrophobicContact CG2-CG1 3.76Å; T387-I425 HydrophobicContact CG2-CG2 4.36Å; T387-I425 CarbonylContact O-C 3.48Å; T387-I425 WeakPolarHBondContact O-CA 3.48Å; A389-I425 HydrophobicContact CB-CG2 4.5Å; I425-F428 HydrophobicContact CB-CD2 4.36Å; I425-F428 HydrophobicContact CD1-CD2 4.37Å; I425-F428 HydrophobicContact CD1-CE2 4.31Å; I425-F428 HydrophobicContact CG2-CD2 4Å; I425-V465 HydrophobicContact CD1-CG1 4.17Å; I425-L466 PolarHBondContact N-O 3.02Å; I425-A467 CarbonylContact O-C 3.49Å; I425-A467 WeakPolarHBondContact O-CA 3.49Å; I425-A468 PolarHBondContact O-N 3.26Å
426D91.2Very high86.5Confident24 Ų2429.8 Ų29.813%0.12818%0.182CC..EExtended strand (participates in β ladder)trans-87.8153.3171.8-151.5-9.1000111.2S371 L374 T387 T388 A389 F428S371-D426 WeakPolarHBondContact CB-OD2 3.18Å; S371-D426 PolarHBondContact OG-OD2 2.86Å; L374-D426 HydrophobicContact CD1-CB 3.9Å; T387-D426 PolarHBondContact O-N 3.43Å; T388-D426 HydrophobicContact CG2-CB 4.37Å; A389-D426 WeakPolarHBondContact CB-O 3.46Å; A389-D426 PolarHBondContact N-O 3.33Å; D426-F428 PolarHBondContact O-N 3.01Å
427E88.4Confident86.4Confident74 Ų7432.5 Ų32.535%0.34621%0.205SC..SBendtrans54.342.9-179.4-56.6-174.8148.200114.6A389 T390 T429 A430 A468A389-E427 HydrophobicContact CB-CB 4.33Å; A389-E427 WeakPolarHBondContact CB-O 3.37Å; T390-E427 WeakPolarHBondContact CG2-OE2 2.85Å; T390-E427 PolarHBondContact OG1-OE2 3.28Å; T390-E427 VanDerWaalsContact OG1-OE2 3.08Å; E427-T429 PolarHBondContact O-N 2.7Å; E427-A430 HydrophobicContact CB-CB 4.37Å; E427-A430 WeakPolarHBondContact O-CB 3.32Å; E427-A430 PolarHBondContact O-N 2.93Å; E427-A468 PolarHBondContact N-O 2.86Å
428F88.6Confident86.5Confident0 Ų032.5 Ų32.50%021%0.207CC..G310 helixtrans-53.6-25.9-173-169.6-105.1000114.9L361 I425 D426 A430 L431 V439 A467 A468 A469 L485 L489 F493L361-F428 HydrophobicContact CD1-CD1 4.41Å; I425-F428 HydrophobicContact CB-CD2 4.36Å; I425-F428 HydrophobicContact CD1-CD2 4.37Å; I425-F428 HydrophobicContact CD1-CE2 4.31Å; I425-F428 HydrophobicContact CG2-CD2 4Å; D426-F428 PolarHBondContact O-N 3.01Å; F428-A430 VanDerWaalsContact C-N 3.27Å; F428-A430 PolarHBondContact O-N 3.41Å; F428-L431 HydrophobicContact CD2-CD1 3.48Å; F428-L431 VanDerWaalsContact CD2-CD1 3.48Å; F428-L431 HydrophobicContact CE2-CD1 3.45Å; F428-L431 VanDerWaalsContact CE2-CD1 3.45Å; F428-L431 HydrophobicContact CG-CD1 4.28Å; F428-L431 HydrophobicContact CZ-CD1 4.24Å; F428-L431 PolarHBondContact O-N 3.44Å; F428-V439 HydrophobicContact CE2-CG1 4.31Å; F428-A467 HydrophobicContact CB-CB 4.16Å; F428-A467 HydrophobicContact CD2-CB 3.94Å; F428-A467 HydrophobicContact CG-CB 4.01Å; F428-A468 WeakPolarHBondContact CB-O 3.11Å; F428-A468 PolarHBondContact N-O 2.94Å; F428-A469 HydrophobicContact CB-CB 4.32Å; F428-L485 HydrophobicContact CD1-CD1 3.88Å; F428-L485 HydrophobicContact CD1-CD2 3.61Å; F428-L485 HydrophobicContact CD1-CG 4.41Å; F428-L485 HydrophobicContact CE1-CD1 3.99Å; F428-L485 HydrophobicContact CE1-CD2 3.62Å; F428-L485 HydrophobicContact CE1-CG 4.45Å; F428-L489 HydrophobicContact CZ-CD1 4.48Å; F428-F493 HydrophobicContact CE1-CE2 4.3Å; F428-F493 HydrophobicContact CE1-CZ 4.31Å; F428-F493 HydrophobicContact CZ-CE2 4.45Å; F428-F493 HydrophobicContact CZ-CZ 4.18Å
429T86.3Confident86.7Confident50 Ų5032.5 Ų32.531%0.30721%0.207SC..G310 helixtrans-66.9-25.2175.245.10000113.6E427 L431 A469 N470E427-T429 PolarHBondContact O-N 2.7Å; T429-L431 PolarHBondContact O-N 3.42Å; T429-A469 HydrophobicContact CG2-CB 4.04Å; T429-N470 WeakPolarHBondContact CG2-O 3.26Å; T429-N470 PolarHBondContact OG1-O 2.83Å
430A85.4Confident86.8Confident40 Ų4034.6 Ų34.633%0.33122%0.216SC..G310 helixtrans-76.4-5.9177.800000113.8A389 T390 E427 F428 H432A389-A430 HydrophobicContact CB-CB 4.1Å; T390-A430 HydrophobicContact CG2-CB 3.63Å; E427-A430 HydrophobicContact CB-CB 4.37Å; E427-A430 WeakPolarHBondContact O-CB 3.32Å; E427-A430 PolarHBondContact O-N 2.93Å; F428-A430 VanDerWaalsContact C-N 3.27Å; F428-A430 PolarHBondContact O-N 3.41Å; A430-H432 PolarHBondContact O-N 2.73Å
431L84Confident87.4Confident6 Ų635.2 Ų35.23%0.03121%0.209CC..  trans-69.2124.3177.3-71.1177.6000111.9A389 L397 F428 T429 H435 R436A389-L431 HydrophobicContact CB-CD2 3.55Å; A389-L431 HydrophobicContact CB-CG 3.59Å; L397-L431 HydrophobicContact CD1-CD2 4.1Å; F428-L431 HydrophobicContact CD2-CD1 3.48Å; F428-L431 VanDerWaalsContact CD2-CD1 3.48Å; F428-L431 HydrophobicContact CE2-CD1 3.45Å; F428-L431 VanDerWaalsContact CE2-CD1 3.45Å; F428-L431 HydrophobicContact CG-CD1 4.28Å; F428-L431 HydrophobicContact CZ-CD1 4.24Å; F428-L431 PolarHBondContact O-N 3.44Å; T429-L431 PolarHBondContact O-N 3.42Å; L431-H435 HydrophobicContact CD2-CB 4.18Å; L431-R436 PolarHBondContact O-NH2 3.03Å
432H84.9Confident87.6Confident129 Ų12935.2 Ų35.260%0.59721%0.209SC*.  trans-57.6151169.1-6390.3000111.9A430 V434 H435 R436A430-H432 PolarHBondContact O-N 2.73Å; H432-V434 PolarHBondContact O-N 3.16Å; H432-V434 VanDerWaalsContact O-N 3.12Å; H432-H435 AromaticContact ND1-CD2 3.8Å; H432-H435 AromaticContact ND1-NE2 3.66Å; H432-H435 PolarHBondContact O-N 3.04Å; H432-R436 WeakPolarHBondContact O-CB 3.47Å; H432-R436 PolarHBondContact O-N 3.19Å
433G83.6Confident87.6Confident56 Ų5635.1 Ų35.158%0.57721%0.209SC*.Hα-helixtrans-53.9-35.2-177.300000114.8R436 A437G433-R436 WeakPolarHBondContact O-CB 3.13Å; G433-A437 PolarHBondContact O-N 3.16Å; G433-A437 VanDerWaalsContact O-N 3.08Å
434V83.4Confident87.2Confident107 Ų10739 Ų3965%0.64823%0.227SC*.Hα-helixtrans-68.2-42.6177.1-177.80000111.8H432 R436 A437 A438H432-V434 PolarHBondContact O-N 3.16Å; H432-V434 VanDerWaalsContact O-N 3.12Å; V434-R436 VanDerWaalsContact C-N 3.28Å; V434-R436 PolarHBondContact O-N 2.86Å; V434-A437 PolarHBondContact O-N 2.75Å; V434-A438 PolarHBondContact O-N 3.06Å
435H86.2Confident86.9Confident28 Ų2844 Ų4413%0.1325%0.25CS..Hα-helixtrans-67.1-37.7179.7-52-12.1000110.3T392 A394 L397 L431 H432 A438 V439T392-H435 PolarHBondContact O-CD2 3.16Å; A394-H435 WeakPolarHBondContact CA-ND1 3.48Å; A394-H435 HydrophobicContact CB-CB 4.49Å; A394-H435 WeakPolarHBondContact CB-ND1 3.41Å; A394-H435 PolarHBondContact N-CE1 2.9Å; A394-H435 PolarHBondContact N-ND1 3.17Å; L397-H435 HydrophobicContact CD1-CB 4.2Å; L431-H435 HydrophobicContact CD2-CB 4.18Å; H432-H435 AromaticContact ND1-CD2 3.8Å; H432-H435 AromaticContact ND1-NE2 3.66Å; H432-H435 PolarHBondContact O-N 3.04Å; H435-A438 WeakPolarHBondContact O-CB 3.37Å; H435-A438 PolarHBondContact O-N 3.18Å; H435-V439 PolarHBondContact O-N 3.08Å
436R84.9Confident86.7Confident41 Ų4144.3 Ų44.316%0.15525%0.251CS..Hα-helixtrans-63.1-38.7175.6-173.8178.1-68.7179.2-1.1112.8L431 H432 G433 V434 V439 H440 G484 L489L431-R436 PolarHBondContact O-NH2 3.03Å; H432-R436 WeakPolarHBondContact O-CB 3.47Å; H432-R436 PolarHBondContact O-N 3.19Å; G433-R436 WeakPolarHBondContact O-CB 3.13Å; V434-R436 VanDerWaalsContact C-N 3.28Å; V434-R436 PolarHBondContact O-N 2.86Å; R436-V439 PolarHBondContact O-N 3.25Å; R436-H440 PolarHBondContact O-N 2.97Å; R436-G484 PolarHBondContact NH1-O 3.01Å; R436-L489 HydrophobicContact CG-CD1 3.1Å; R436-L489 HydrophobicContact CG-CG 4.49Å
437A85.7Confident86.6Confident61 Ų6143.8 Ų43.850%0.50425%0.249SC..Hα-helixtrans-64.2-39.317500000112.5G433 V434 H440 E441G433-A437 PolarHBondContact O-N 3.16Å; G433-A437 VanDerWaalsContact O-N 3.08Å; V434-A437 PolarHBondContact O-N 2.75Å; A437-H440 WeakPolarHBondContact O-CB 3.04Å; A437-H440 PolarHBondContact O-N 2.9Å; A437-E441 PolarHBondContact O-N 2.84Å
438A86Confident86.6Confident13 Ų1340.3 Ų40.311%0.10723%0.233CC..Hα-helixtrans-64.9-41.6176.500000112.9T398 V434 H435 H440 E441 A442T398-A438 HydrophobicContact CG2-CB 3.45Å; T398-A438 VanDerWaalsContact CG2-CB 3.45Å; V434-A438 PolarHBondContact O-N 3.06Å; H435-A438 WeakPolarHBondContact O-CB 3.37Å; H435-A438 PolarHBondContact O-N 3.18Å; A438-H440 VanDerWaalsContact C-N 3.29Å; A438-H440 PolarHBondContact O-N 3.21Å; A438-E441 PolarHBondContact O-N 3.28Å; A438-A442 PolarHBondContact O-N 2.97Å; A438-A442 VanDerWaalsContact O-N 3.09Å
439V88.8Confident86.6Confident0 Ų043.6 Ų43.60%026%0.256CS..Hα-helixtrans-63.4-37.9173.4176.50000110.7L397 L415 F428 H435 R436 E441 A442 M443L397-V439 HydrophobicContact CD1-CG2 4.33Å; L415-V439 HydrophobicContact CD1-CG2 4.27Å; F428-V439 HydrophobicContact CE2-CG1 4.31Å; H435-V439 PolarHBondContact O-N 3.08Å; R436-V439 PolarHBondContact O-N 3.25Å; V439-E441 PolarHBondContact O-N 2.88Å; V439-A442 PolarHBondContact O-N 3.3Å; V439-M443 HydrophobicContact CG1-CG 4.11Å; V439-M443 HydrophobicContact CG1-SD 3.64Å; V439-M443 WeakPolarHBondContact O-CB 3.45Å; V439-M443 VanDerWaalsContact O-CG 3.25Å; V439-M443 WeakPolarHBondContact O-CG 3.26Å; V439-M443 PolarHBondContact O-N 3.1Å
440H88Confident86.6Confident55 Ų5542 Ų4226%0.25525%0.245SC..Hα-helixtrans-63.9-38.1177.5179.7-103.3000113.4R436 A437 A438 E444 L489 R492R436-H440 PolarHBondContact O-N 2.97Å; A437-H440 WeakPolarHBondContact O-CB 3.04Å; A437-H440 PolarHBondContact O-N 2.9Å; A438-H440 VanDerWaalsContact C-N 3.29Å; A438-H440 PolarHBondContact O-N 3.21Å; H440-E444 PolarHBondContact O-N 3.12Å; H440-E444 VanDerWaalsContact O-N 3.14Å; H440-L489 HydrophobicContact CB-CD2 3.75Å; H440-L489 HydrophobicContact CB-CG 4.35Å; H440-R492 PolarHBondContact CE1-NH2 3.08Å; H440-R492 PolarHBondContact NE2-NH1 3.48Å; H440-R492 PolarHBondContact NE2-NH2 3.01Å; H440-R492 PolarHBondContact O-NH1 3.37Å
441E89.2Confident86.7Confident49 Ų4943.8 Ų43.823%0.22926%0.26CS..Hα-helixtrans-63.4-51.1172.4-174.6-176167.100110.5A437 A438 V439 M443 E444 Q445 S449A437-E441 PolarHBondContact O-N 2.84Å; A438-E441 PolarHBondContact O-N 3.28Å; V439-E441 PolarHBondContact O-N 2.88Å; E441-M443 VanDerWaalsContact C-N 3.3Å; E441-M443 PolarHBondContact O-N 2.66Å; E441-E444 PolarHBondContact O-N 3.17Å; E441-Q445 PolarHBondContact O-N 3.47Å; E441-S449 WeakPolarHBondContact OE1-CB 3.49Å; E441-S449 PolarHBondContact OE1-N 3.22Å; E441-S449 PolarHBondContact OE1-OG 2.72Å
442A89.3Confident86.6Confident4 Ų447.2 Ų47.23%0.03328%0.275CS..Hα-helixtrans-57.9-40.7178.300000112.4L415 A438 V439 Q446 I448 C461L415-A442 HydrophobicContact CD1-CB 4.07Å; A438-A442 PolarHBondContact O-N 2.97Å; A438-A442 VanDerWaalsContact O-N 3.09Å; V439-A442 PolarHBondContact O-N 3.3Å; A442-Q446 WeakPolarHBondContact O-CA 2.84Å; A442-Q446 PolarHBondContact O-N 3.31Å; A442-I448 HydrophobicContact CB-CD1 3.99Å; A442-I448 HydrophobicContact CB-CG1 3.88Å; A442-C461 HydrophobicContact CB-CB 4.45Å
443M89.6Confident86.6Confident1 Ų143.6 Ų43.61%0.00527%0.268CS..Hα-helixtrans-73.8-27.9179.3-70.1172.574.700114.1R355 H359 V439 E441 V465 L489 R492 F493R355-M443 PolarHBondContact NH1-O 3.23Å; H359-M443 HydrophobicContact CB-CE 4.17Å; H359-M443 VanDerWaalsContact CD2-CE 3.44Å; H359-M443 WeakPolarHBondContact CD2-CE 3.38Å; V439-M443 HydrophobicContact CG1-CG 4.11Å; V439-M443 HydrophobicContact CG1-SD 3.64Å; V439-M443 WeakPolarHBondContact O-CB 3.45Å; V439-M443 VanDerWaalsContact O-CG 3.25Å; V439-M443 WeakPolarHBondContact O-CG 3.26Å; V439-M443 PolarHBondContact O-N 3.1Å; E441-M443 VanDerWaalsContact C-N 3.3Å; E441-M443 PolarHBondContact O-N 2.66Å; M443-V465 HydrophobicContact CG-CG2 4.09Å; M443-L489 HydrophobicContact SD-CD2 4.09Å; M443-R492 HydrophobicContact CE-CB 3.82Å; M443-F493 HydrophobicContact CE-CD1 3.72Å; M443-F493 HydrophobicContact CE-CD2 4.05Å; M443-F493 HydrophobicContact CE-CE1 3.53Å; M443-F493 HydrophobicContact CE-CE2 3.88Å; M443-F493 HydrophobicContact CE-CG 3.98Å; M443-F493 HydrophobicContact CE-CZ 3.61Å; M443-F493 HydrophobicContact SD-CE1 4.43Å; M443-F493 HydrophobicContact SD-CZ 4.14Å
444E84.1Confident86.5Confident80 Ų8044.8 Ų44.837%0.37428%0.279SS..Hα-helixtrans-81.4-56.1176.5-166.164.1129.300111.6H440 E441 R492 R594H440-E444 PolarHBondContact O-N 3.12Å; H440-E444 VanDerWaalsContact O-N 3.14Å; E441-E444 PolarHBondContact O-N 3.17Å; E444-R492 VanDerWaalsContact CA-NH1 3.25Å; E444-R492 VanDerWaalsContact CB-NH2 3.25Å; E444-R492 IonicContact OE1-CZ 3.64Å; E444-R492 VanDerWaalsContact OE1-CZ 3.23Å; E444-R492 IonicContact OE1-NE 2.97Å; E444-R492 PolarHBondContact OE1-NE 2.9Å; E444-R492 IonicContact OE1-NH2 3.16Å; E444-R492 PolarHBondContact OE1-NH2 2.57Å; E444-R492 VanDerWaalsContact OE2-CD 3.3Å; E444-R492 WeakPolarHBondContact OE2-CD 3.5Å; E444-R492 IonicContact OE2-CZ 3.64Å; E444-R492 IonicContact OE2-NE 3.93Å; E444-R492 PolarHBondContact OE2-NE 3.15Å; E444-R492 IonicContact OE2-NH1 2.79Å; E444-R492 PolarHBondContact OE2-NH1 3.21Å; E444-R492 IonicContact OE2-NH2 3.28Å; E444-R492 PolarHBondContact OE2-NH2 3.06Å; E444-R594 IonicContact OE1-CZ 3.37Å; E444-R594 IonicContact OE1-NE 2.76Å; E444-R594 IonicContact OE1-NH2 3.27Å; E444-R594 PolarHBondContact OE1-NH2 3.4Å; E444-R594 IonicContact OE2-NE 3.78Å; E444-R594 IonicContact OE2-NH2 2.83Å
445Q86Confident86.4Confident107 Ų10742.2 Ų42.250%0.526%0.262SS..Hα-helixtrans-95.8-11-163.4-69177.3-2.500110.8E441 T447E441-Q445 PolarHBondContact O-N 3.47Å; Q445-T447 PolarHBondContact O-N 3.3Å
446Q87.8Confident86.4Confident5 Ų549 Ų492%0.02330%0.296CS..SBendtrans51.324.8-169.7-59.5-168.9-72.600112.9H353 R355 A442 C461 R462H353-Q446 PolarHBondContact CE1-OE1 2.97Å; R355-Q446 VanDerWaalsContact CA-OE1 3.24Å; R355-Q446 HydrophobicContact CB-CG 4.34Å; R355-Q446 VanDerWaalsContact CB-OE1 3.23Å; R355-Q446 VanDerWaalsContact CG-CD 3.49Å; R355-Q446 HydrophobicContact CG-CG 4.25Å; A442-Q446 WeakPolarHBondContact O-CA 2.84Å; A442-Q446 PolarHBondContact O-N 3.31Å; Q446-C461 CarbonylContact O-C 3.57Å; Q446-C461 PolarHBondContact O-N 3.17Å; Q446-R462 HydrophobicContact CB-CG 4.21Å
447T89.1Confident86.4Confident13 Ų1348.4 Ų48.48%0.0830%0.3CS..EExtended strand (participates in β ladder)trans-142.7147.4176.564.90000109Q445 R458 L459Q445-T447 PolarHBondContact O-N 3.3Å; T447-R458 PolarHBondContact OG1-NE 3.14Å; T447-R458 PolarHBondContact OG1-NH2 3.06Å; T447-L459 CarbonylContact C-O 3.48Å; T447-L459 WeakPolarHBondContact CA-O 3.26Å
448I88.8Confident86.4Confident1 Ų153.4 Ų53.41%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-115.8122174.1-60.2177.1000107.8T398 L415 V416 A442 L450 L459 C461T398-I448 HydrophobicContact CG2-CD1 4.11Å; T398-I448 HydrophobicContact CG2-CG2 4.12Å; L415-I448 HydrophobicContact CB-CD1 4.06Å; L415-I448 HydrophobicContact CD1-CD1 4.03Å; V416-I448 HydrophobicContact CG2-CD1 4.42Å; A442-I448 HydrophobicContact CB-CD1 3.99Å; A442-I448 HydrophobicContact CB-CG1 3.88Å; I448-L450 HydrophobicContact CG2-CD2 4.21Å; I448-L450 HydrophobicContact CG2-CG 4.05Å; I448-L459 PolarHBondContact N-O 3.48Å; I448-L459 PolarHBondContact O-N 3.1Å; I448-C461 HydrophobicContact CD1-CB 4.24Å; I448-C461 WeakPolarHBondContact CD1-SG 3.29Å; I448-C461 HydrophobicContact CG1-CB 4.18Å; I448-C461 VanDerWaalsContact CG1-SG 3.56Å
449S87.5Confident86.4Confident69 Ų6953.4 Ų53.448%0.48330%0.304SS..EExtended strand (participates in β ladder)trans-92.1126.3173.963.40000110.3E441E441-S449 WeakPolarHBondContact OE1-CB 3.49Å; E441-S449 PolarHBondContact OE1-N 3.22Å; E441-S449 PolarHBondContact OE1-OG 2.72Å
450L85.9Confident86.3Confident16 Ų1657.4 Ų57.48%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-124.9123.3-179.6-69.1172.6000109.9A399 I448 M456 A457 L459A399-L450 HydrophobicContact CB-CD1 3.2Å; I448-L450 HydrophobicContact CG2-CD2 4.21Å; I448-L450 HydrophobicContact CG2-CG 4.05Å; L450-M456 CarbonylContact O-C 3.53Å; L450-M456 WeakPolarHBondContact O-CA 3.37Å; L450-A457 PolarHBondContact N-O 3.34Å; L450-A457 PolarHBondContact O-N 3.25Å; L450-L459 HydrophobicContact CD1-CD1 3.94Å
451A87.1Confident86.2Confident78 Ų7854.8 Ų54.865%0.64531%0.313SS*.EExtended strand (participates in β ladder)trans-121.491.7170.300000108.8L455 M456A451-L455 CarbonylContact C-O 3.19Å; A451-L455 VanDerWaalsContact CA-O 3.3Å; A451-L455 WeakPolarHBondContact CA-O 3.37Å; A451-M456 HydrophobicContact CB-CG 4.24Å
452K83.2Confident85.9Confident79 Ų7954.8 Ų54.834%0.34331%0.311SS..EExtended strand (participates in β ladder)trans-138.2139.1-177.9-67.5-178.6-174.3168.20110.5A399 A401 G454 L455A399-K452 PolarHBondContact O-NZ 3.29Å; A399-K452 VanDerWaalsContact O-NZ 3.16Å; A401-K452 HydrophobicContact CB-CB 4.05Å; K452-G454 PolarHBondContact O-N 3.42Å; K452-G454 VanDerWaalsContact O-N 3.14Å; K452-L455 PolarHBondContact N-O 3.07Å; K452-L455 WeakPolarHBondContact O-CA 3.39Å; K452-L455 WeakPolarHBondContact O-CB 3.49Å; K452-L455 PolarHBondContact O-N 3.2Å
453A84.1Confident85.8Confident53 Ų5354.8 Ų54.844%0.43831%0.311SS..THydrogen-bonded Turntrans53.231.9177.100000114.9A401 W408 L455A401-A453 HydrophobicContact CB-CB 4.08Å; W408-A453 HydrophobicContact CD2-CB 3.6Å; W408-A453 HydrophobicContact CE3-CB 3.68Å; W408-A453 HydrophobicContact CG-CB 4Å; W408-A453 HydrophobicContact CH2-CB 4.37Å; W408-A453 HydrophobicContact CZ2-CB 4.31Å; W408-A453 HydrophobicContact CZ3-CB 4.07Å; A453-L455 PolarHBondContact O-N 3.49Å
454G82.3Confident85.9Confident80 Ų8054.9 Ų54.983%0.82531%0.311SS*.THydrogen-bonded Turntrans79.5-4.4-175.800000114.7K452K452-G454 PolarHBondContact O-N 3.42Å; K452-G454 VanDerWaalsContact O-N 3.14Å
455L80.5Confident86.3Confident54 Ų5451.2 Ų51.228%0.28329%0.294SS..EExtended strand (participates in β ladder)trans-86.4122.4172.3-57.3175.9000109.1W408 L410 A451 K452 A453W408-L455 HydrophobicContact CB-CD1 3.76Å; W408-L455 HydrophobicContact CB-CG 4.23Å; L410-L455 HydrophobicContact CD2-CB 4.4Å; L410-L455 HydrophobicContact CD2-CD1 3.95Å; L410-L455 HydrophobicContact CG-CD1 3.88Å; A451-L455 CarbonylContact C-O 3.19Å; A451-L455 VanDerWaalsContact CA-O 3.3Å; A451-L455 WeakPolarHBondContact CA-O 3.37Å; K452-L455 PolarHBondContact N-O 3.07Å; K452-L455 WeakPolarHBondContact O-CA 3.39Å; K452-L455 WeakPolarHBondContact O-CB 3.49Å; K452-L455 PolarHBondContact O-N 3.2Å; A453-L455 PolarHBondContact O-N 3.49Å
456M86.6Confident86.7Confident170 Ų17046.1 Ų46.184%0.83727%0.27SS*.EExtended strand (participates in β ladder)trans-110.7112.8169.9-65.2-177.970.800108.1L450 A451L450-M456 CarbonylContact O-C 3.53Å; L450-M456 WeakPolarHBondContact O-CA 3.37Å; A451-M456 HydrophobicContact CB-CG 4.24Å
457A84.1Confident87Confident29 Ų2945.9 Ų45.924%0.2427%0.269CS..EExtended strand (participates in β ladder)trans-135.3146.4179.900000110.9L410 L450L410-A457 HydrophobicContact CD1-CB 3.43Å; L410-A457 VanDerWaalsContact CD1-CB 3.43Å; L450-A457 PolarHBondContact N-O 3.34Å; L450-A457 PolarHBondContact O-N 3.25Å
458R87.5Confident87.2Confident166 Ų16645.2 Ų45.263%0.62627%0.265SS*.EExtended strand (participates in β ladder)trans-114.1113.7170-172176.2-175178.6-2.5107.8T447T447-R458 PolarHBondContact OG1-NE 3.14Å; T447-R458 PolarHBondContact OG1-NH2 3.06Å
459L86.1Confident87.3Confident13 Ų1345.2 Ų45.27%0.06827%0.265CS..EExtended strand (participates in β ladder)trans-101.3138.8-178.7-58.9178.2000109.4P232 A399 V416 T447 I448 L450P232-L459 HydrophobicContact CG-CD2 3.7Å; A399-L459 HydrophobicContact CB-CD1 3.7Å; V416-L459 HydrophobicContact CG1-CB 4.31Å; V416-L459 HydrophobicContact CG1-CD1 4.22Å; V416-L459 HydrophobicContact CG2-CB 4.05Å; V416-L459 HydrophobicContact CG2-CD1 3.8Å; T447-L459 CarbonylContact C-O 3.48Å; T447-L459 WeakPolarHBondContact CA-O 3.26Å; I448-L459 PolarHBondContact N-O 3.48Å; I448-L459 PolarHBondContact O-N 3.1Å; L450-L459 HydrophobicContact CD1-CD1 3.94Å
460N84.7Confident87.2Confident83 Ų8344.3 Ų44.344%0.44426%0.255SS..EExtended strand (participates in β ladder)trans-81.2138.7176.6-67.6-4.3000109.8
461C85.8Confident86.9Confident1 Ų145 Ų451%0.00726%0.26CS..  trans-141.652.5-177-69.20000110.4V416 A442 Q446 I448 C463V416-C461 VanDerWaalsContact CG2-SG 3.54Å; A442-C461 HydrophobicContact CB-CB 4.45Å; Q446-C461 CarbonylContact O-C 3.57Å; Q446-C461 PolarHBondContact O-N 3.17Å; I448-C461 HydrophobicContact CD1-CB 4.24Å; I448-C461 WeakPolarHBondContact CD1-SG 3.29Å; I448-C461 HydrophobicContact CG1-CB 4.18Å; I448-C461 VanDerWaalsContact CG1-SG 3.56Å; C461-C463 PolarHBondContact O-N 3.5Å
462R85Confident86.2Confident49 Ų4943.4 Ų43.419%0.18525%0.245CC..  trans-74.248.8176.1-50.4172.3-59.6159.6-1.9111.1E336 N357 D419 G420 Q446E336-R462 WeakPolarHBondContact OE1-CD 3.46Å; E336-R462 IonicContact OE1-NH1 2.78Å; E336-R462 IonicContact OE2-NH1 3.33Å; E336-R462 PolarHBondContact OE2-NH1 2.83Å; N357-R462 PolarHBondContact ND2-O 3.22Å; D419-R462 WeakPolarHBondContact OD1-CA 3.42Å; D419-R462 VanDerWaalsContact OD1-CB 3.22Å; D419-R462 WeakPolarHBondContact OD1-CB 3.42Å; D419-R462 PolarHBondContact OD1-N 3.37Å; D419-R462 IonicContact OD1-NE 2.66Å; D419-R462 PolarHBondContact OD1-NE 3.29Å; D419-R462 IonicContact OD2-NE 2.96Å; D419-R462 IonicContact OD2-NH2 3.81Å; D419-R462 PolarHBondContact OD2-NH2 3.07Å; G420-R462 WeakPolarHBondContact CA-O 3.45Å; G420-R462 PolarHBondContact N-O 3.34Å; Q446-R462 HydrophobicContact CB-CG 4.21Å
463C87.1Confident85.3Confident4 Ų444.1 Ų44.13%0.02726%0.258CS..PPolyproline II helixtrans-92.6158.4177.2670000110.9H359 A418 C461H359-C463 PolarHBondContact CE1-O 2.98Å; H359-C463 VanDerWaalsContact CE1-O 3.23Å; A418-C463 HydrophobicContact CB-CB 4.13Å; A418-C463 WeakPolarHBondContact O-CB 3.25Å; C461-C463 PolarHBondContact O-N 3.5Å
464S90.9Very high84Confident3 Ų346.9 Ų46.92%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-89.2130.7162.7-57.50000108.6N357 G421 L422 C423N357-S464 WeakPolarHBondContact CB-OG 3.45Å; G421-S464 PolarHBondContact O-N 3.37Å; L422-S464 CarbonylContact C-O 3.57Å; L422-S464 WeakPolarHBondContact CA-O 3.42Å; L422-S464 WeakPolarHBondContact CD1-O 3.4Å; C423-S464 PolarHBondContact N-O 3.04Å
465V93.1Very high82.8Confident2 Ų244 Ų441%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-97.3122.6176.9-177.70000109.5H359 I360 C423 I425 M443 F493H359-V465 WeakPolarHBondContact CA-O 3.29Å; H359-V465 PolarHBondContact CE1-N 3.24Å; H359-V465 PolarHBondContact ND1-N 3.32Å; I360-V465 PolarHBondContact N-O 3.32Å; C423-V465 WeakPolarHBondContact O-CA 3.29Å; I425-V465 HydrophobicContact CD1-CG1 4.17Å; M443-V465 HydrophobicContact CG-CG2 4.09Å; V465-F493 HydrophobicContact CG1-CE1 4.32Å
466L94.6Very high81.7Confident0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-112.5110.8168.5179.366.2000108.3L327 M330 I360 L362 L374 C377 L422 C423 A424 I425L327-L466 HydrophobicContact CD2-CD1 3.72Å; L327-L466 HydrophobicContact CD2-CD2 3.92Å; M330-L466 HydrophobicContact CE-CB 4.25Å; M330-L466 HydrophobicContact CE-CD2 4.06Å; M330-L466 HydrophobicContact SD-CB 3.89Å; M330-L466 HydrophobicContact SD-CD1 4.21Å; M330-L466 HydrophobicContact SD-CG 4.45Å; I360-L466 HydrophobicContact CB-CD1 3.78Å; I360-L466 HydrophobicContact CG2-CD1 3.91Å; I360-L466 WeakPolarHBondContact O-CA 3.48Å; L362-L466 HydrophobicContact CD1-CD1 4.42Å; L362-L466 HydrophobicContact CG-CD1 4.4Å; L374-L466 HydrophobicContact CD2-CB 4.33Å; L374-L466 HydrophobicContact CD2-CD1 4.39Å; L374-L466 HydrophobicContact CD2-CD2 3.39Å; L374-L466 HydrophobicContact CD2-CG 3.38Å; C377-L466 HydrophobicContact CB-CD2 4.02Å; L422-L466 HydrophobicContact CD1-CB 3.72Å; C423-L466 PolarHBondContact O-N 3.41Å; A424-L466 CarbonylContact C-O 3.41Å; A424-L466 VanDerWaalsContact CA-O 3.27Å; A424-L466 WeakPolarHBondContact CA-O 3.47Å; I425-L466 PolarHBondContact N-O 3.02Å
467A93.4Very high80.1Confident0 Ų045.4 Ų45.40%024%0.241CC..EExtended strand (participates in β ladder)trans-110.9138-177.900000110.8I360 L361 L362 I425 F428 F493I360-A467 PolarHBondContact O-N 3.2Å; L361-A467 CarbonylContact C-O 3.58Å; L361-A467 WeakPolarHBondContact CA-O 3.33Å; L361-A467 HydrophobicContact CD1-CB 3.59Å; L362-A467 PolarHBondContact N-O 3.13Å; I425-A467 CarbonylContact O-C 3.49Å; I425-A467 WeakPolarHBondContact O-CA 3.49Å; F428-A467 HydrophobicContact CB-CB 4.16Å; F428-A467 HydrophobicContact CD2-CB 3.94Å; F428-A467 HydrophobicContact CG-CB 4.01Å; A467-F493 HydrophobicContact CB-CE1 4.18Å; A467-F493 HydrophobicContact CB-CZ 4.17Å
468A93.2Very high78.4Confident0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-108.1134.8165.700000109.8L362 K370 L374 I425 E427 F428L362-A468 CarbonylContact O-C 3.57Å; L362-A468 WeakPolarHBondContact O-CA 3.44Å; K370-A468 HydrophobicContact CB-CB 4.17Å; K370-A468 HydrophobicContact CD-CB 4.43Å; L374-A468 HydrophobicContact CD1-CB 3.67Å; L374-A468 HydrophobicContact CD2-CB 4.42Å; L374-A468 HydrophobicContact CG-CB 4.19Å; I425-A468 PolarHBondContact O-N 3.26Å; E427-A468 PolarHBondContact N-O 2.86Å; F428-A468 WeakPolarHBondContact CB-O 3.11Å; F428-A468 PolarHBondContact N-O 2.94Å
469A89.6Confident76.7Confident1 Ų145.2 Ų45.21%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-131.1142.4179.900000110.1L361 L362 I363 G364 K370 F428 T429L361-A469 HydrophobicContact CD1-CB 4.14Å; L362-A469 PolarHBondContact O-N 3.08Å; I363-A469 WeakPolarHBondContact CA-O 3.49Å; I363-A469 HydrophobicContact CG1-CB 4.27Å; G364-A469 PolarHBondContact N-O 3.28Å; K370-A469 PolarHBondContact NZ-O 3.46Å; F428-A469 HydrophobicContact CB-CB 4.32Å; T429-A469 HydrophobicContact CG2-CB 4.04Å
470N87Confident75.1Confident50 Ų5049.3 Ų49.327%0.26728%0.279SS..PPolyproline II helixtrans-101.9134.5169.7-62.7-25.4000108K370 T429K370-N470 PolarHBondContact NZ-OD1 3.18Å; T429-N470 WeakPolarHBondContact CG2-O 3.26Å; T429-N470 PolarHBondContact OG1-O 2.83Å
471P78.8Confident73.8Confident29 Ų2947.2 Ų47.219%0.18827%0.267CS..PPolyproline II helixtrans-61.2147.8177.428.9-34.4000109.1G364G364-P471 WeakPolarHBondContact O-CD 3.31Å
472S72.4Confident72.6Confident46 Ų4652.9 Ų52.932%0.32230%0.297SS..PPolyproline II helixtrans-65.3142.5171.267.60000109.1N474 S475S472-N474 PolarHBondContact O-N 2.93Å; S472-N474 VanDerWaalsContact O-N 3.08Å; S472-S475 WeakPolarHBondContact O-CB 3.49Å; S472-S475 PolarHBondContact O-N 3.4Å
473P64.2Low71.7Confident94 Ų9451.5 Ų51.561%0.6129%0.293SS*.Hα-helixtrans-57.9-28.1-178.922.5-33.4000112.4S475 I476P473-S475 VanDerWaalsContact C-N 3.3Å; P473-S475 PolarHBondContact O-N 2.98Å; P473-I476 PolarHBondContact O-N 2.63Å
474N56.6Low70.9Confident110 Ų11053.4 Ų53.459%0.58831%0.313SS*.Hα-helixtrans-68.3-27.7177.4-64.8-5000113.1S472 I476 L477 H478S472-N474 PolarHBondContact O-N 2.93Å; S472-N474 VanDerWaalsContact O-N 3.08Å; N474-I476 VanDerWaalsContact C-N 3.32Å; N474-L477 PolarHBondContact O-N 3.39Å; N474-H478 PolarHBondContact O-N 2.97Å; N474-H478 VanDerWaalsContact O-N 3.15Å
475S57.8Low70.2Confident19 Ų1954 Ų5413%0.13332%0.316CS..Hα-helixtrans-68.7-33.8176.8-177.60000111.6S472 P473 L477 G479 N480S472-S475 WeakPolarHBondContact O-CB 3.49Å; S472-S475 PolarHBondContact O-N 3.4Å; P473-S475 VanDerWaalsContact C-N 3.3Å; P473-S475 PolarHBondContact O-N 2.98Å; S475-L477 VanDerWaalsContact C-N 3.35Å; S475-G479 PolarHBondContact O-N 3.1Å; S475-N480 PolarHBondContact OG-O 2.9Å
476I57.6Low69.4Low116 Ų11656.4 Ų56.460%0.59533%0.331SS*.Hα-helixtrans-65.8-40.9177.4-51.7173.5000110.1P473 N474P473-I476 PolarHBondContact O-N 2.63Å; N474-I476 VanDerWaalsContact C-N 3.32Å
477L51.7Low68.6Low138 Ų13859.7 Ų59.772%0.72335%0.351SS*.Hα-helixtrans-75.4-41.2-176.5-72.2168.2000113.6N474 S475N474-L477 PolarHBondContact O-N 3.39Å; S475-L477 VanDerWaalsContact C-N 3.35Å
478H48.9Very low68Low135 Ų13562.7 Ų62.763%0.62537%0.371SS*.Hα-helixtrans-95.7-3.9-171.2-75.2-64.1000114.6N474 N480N474-H478 PolarHBondContact O-N 2.97Å; N474-H478 VanDerWaalsContact O-N 3.15Å; H478-N480 HydrophobicContact CB-CB 4.31Å; H478-N480 PolarHBondContact O-N 3.39Å; H478-N480 PolarHBondContact O-OD1 2.93Å
479G52.2Low67.6Low57 Ų5762.9 Ų62.959%0.58837%0.372SS*.  trans60.27.7-174.300000113.4S475S475-G479 PolarHBondContact O-N 3.1Å
480N52.8Low67.3Low98 Ų9863.1 Ų63.152%0.52437%0.373SS..  trans-85.6121.1177.7-69.1-12.9000107.6S475 H478 D482S475-N480 PolarHBondContact OG-O 2.9Å; H478-N480 HydrophobicContact CB-CB 4.31Å; H478-N480 PolarHBondContact O-N 3.39Å; H478-N480 PolarHBondContact O-OD1 2.93Å; N480-D482 PolarHBondContact O-N 3.48Å
481E56.6Low67.2Low39 Ų3961.1 Ų61.118%0.18236%0.363CS..  trans-74.130.5-174.7-59.3-178.7169.800113.5F483 T634 S636E481-F483 VanDerWaalsContact C-N 3.29Å; E481-F483 VanDerWaalsContact O-CD2 3.31Å; E481-F483 WeakPolarHBondContact O-CD2 3.29Å; E481-F483 PolarHBondContact O-N 3.49Å; E481-T634 VanDerWaalsContact CD-O 3.31Å; E481-S636 WeakPolarHBondContact OE1-CA 3.34Å; E481-S636 VanDerWaalsContact OE1-CB 3.3Å; E481-S636 WeakPolarHBondContact OE1-CB 3.42Å; E481-S636 PolarHBondContact OE1-N 3.08Å
482D60.8Low67.6Low121 Ų12160.5 Ų60.565%0.64736%0.357SS*.  trans-74.789.6176.1-71.9-18.3000108.4N480 G484N480-D482 PolarHBondContact O-N 3.48Å; D482-G484 PolarHBondContact O-N 3.49Å
483F66.8Low68.4Low20 Ų2058.8 Ų58.89%0.08834%0.344CS..  trans-58-0.2175.2-61.8-67.1000114I363 E481 L485 L490 T634I363-F483 HydrophobicContact CD1-CB 4.2Å; I363-F483 HydrophobicContact CD1-CD1 3.37Å; I363-F483 HydrophobicContact CD1-CE1 3.8Å; I363-F483 HydrophobicContact CD1-CG 3.81Å; I363-F483 HydrophobicContact CG2-CD1 4.02Å; I363-F483 HydrophobicContact CG2-CE1 4.39Å; E481-F483 VanDerWaalsContact C-N 3.29Å; E481-F483 VanDerWaalsContact O-CD2 3.31Å; E481-F483 WeakPolarHBondContact O-CD2 3.29Å; E481-F483 PolarHBondContact O-N 3.49Å; F483-L485 PolarHBondContact O-N 3.25Å; F483-L490 HydrophobicContact CD2-CD1 4.17Å; F483-T634 HydrophobicContact CZ-CG2 4.02Å
484G69.4Low69.7Low43 Ų4355 Ų5544%0.44332%0.319SS..SBendtrans718.1-175.100000114R436 D482R436-G484 PolarHBondContact NH1-O 3.01Å; D482-G484 PolarHBondContact O-N 3.49Å
485L75.8Confident71.3Confident17 Ų1749.9 Ų49.99%0.08929%0.291CS..SBendtrans-113.7139.5-176.5-61.3179.8000110.9L361 F428 F483 L490L361-L485 HydrophobicContact CD2-CD1 3.63Å; F428-L485 HydrophobicContact CD1-CD1 3.88Å; F428-L485 HydrophobicContact CD1-CD2 3.61Å; F428-L485 HydrophobicContact CD1-CG 4.41Å; F428-L485 HydrophobicContact CE1-CD1 3.99Å; F428-L485 HydrophobicContact CE1-CD2 3.62Å; F428-L485 HydrophobicContact CE1-CG 4.45Å; F483-L485 PolarHBondContact O-N 3.25Å; L485-L490 HydrophobicContact CB-CD2 4.1Å; L485-L490 HydrophobicContact CB-CG 4.16Å; L485-L490 HydrophobicContact CD1-CD2 4.04Å
486P78.2Confident72.9Confident51 Ų5149.1 Ų49.133%0.33129%0.285SS..  trans-71.5145.5-179.433.2-36.9000110.2P488 L489 L490P486-P488 VanDerWaalsContact C-N 3.32Å; P486-L489 HydrophobicContact CG-CB 4.2Å; P486-L489 HydrophobicContact CG-CD1 3.77Å; P486-L489 HydrophobicContact CG-CG 4.19Å; P486-L489 PolarHBondContact O-N 2.94Å; P486-L490 PolarHBondContact O-N 3.29Å
487T77.1Confident74.5Confident69 Ų6943.6 Ų43.642%0.42326%0.257SS..Hα-helixtrans-54.1-33.9-176.855.60000115.2L489 L490 S491 S589T487-L489 VanDerWaalsContact C-N 3.32Å; T487-L489 PolarHBondContact O-N 2.89Å; T487-L490 PolarHBondContact O-N 3.36Å; T487-S491 PolarHBondContact O-N 2.91Å; T487-S589 PolarHBondContact O-OG 2.68Å
488P81.5Confident76.1Confident64 Ų6440 Ų4042%0.41623%0.234SC..Hα-helixtrans-65.3-34.6177-21.735.8000112.7P486 R492P486-P488 VanDerWaalsContact C-N 3.32Å; P488-R492 VanDerWaalsContact O-CG 3.22Å; P488-R492 WeakPolarHBondContact O-CG 3.46Å
489L84.1Confident77.9Confident3 Ų333.6 Ų33.62%0.01620%0.204CC..Hα-helixtrans-72.7-40.6177.9-85.1174.3000112.3F428 R436 H440 M443 P486 T487 S491 R492 F493F428-L489 HydrophobicContact CZ-CD1 4.48Å; R436-L489 HydrophobicContact CG-CD1 3.1Å; R436-L489 HydrophobicContact CG-CG 4.49Å; H440-L489 HydrophobicContact CB-CD2 3.75Å; H440-L489 HydrophobicContact CB-CG 4.35Å; M443-L489 HydrophobicContact SD-CD2 4.09Å; P486-L489 HydrophobicContact CG-CB 4.2Å; P486-L489 HydrophobicContact CG-CD1 3.77Å; P486-L489 HydrophobicContact CG-CG 4.19Å; P486-L489 PolarHBondContact O-N 2.94Å; T487-L489 VanDerWaalsContact C-N 3.32Å; T487-L489 PolarHBondContact O-N 2.89Å; L489-S491 PolarHBondContact O-N 2.75Å; L489-R492 WeakPolarHBondContact O-CB 3.16Å; L489-R492 PolarHBondContact O-N 2.91Å; L489-F493 VanDerWaalsContact O-CD2 3.27Å; L489-F493 WeakPolarHBondContact O-CD2 3.23Å; L489-F493 PolarHBondContact O-N 2.53Å
490L83.4Confident79.4Confident6 Ų632.1 Ų32.13%0.03118%0.184CC..Hα-helixtrans-61.5-32.6176.8-67.9173.5000111.9L361 F483 L485 P486 T487 R492 I496L361-L490 HydrophobicContact CD2-CD2 4.08Å; F483-L490 HydrophobicContact CD2-CD1 4.17Å; L485-L490 HydrophobicContact CB-CD2 4.1Å; L485-L490 HydrophobicContact CB-CG 4.16Å; L485-L490 HydrophobicContact CD1-CD2 4.04Å; P486-L490 PolarHBondContact O-N 3.29Å; T487-L490 PolarHBondContact O-N 3.36Å; L490-R492 PolarHBondContact O-N 3.28Å; L490-I496 HydrophobicContact CB-CD1 4.31Å; L490-I496 HydrophobicContact CD2-CD1 3.77Å
491S83.7Confident80.8Confident9 Ų930.5 Ų30.56%0.06318%0.175CC..THydrogen-bonded Turntrans-70.4-13.3174.8176.70000113.9T487 L489 T592 R594T487-S491 PolarHBondContact O-N 2.91Å; L489-S491 PolarHBondContact O-N 2.75Å; S491-T592 PolarHBondContact OG-OG1 3.01Å; S491-R594 PolarHBondContact OG-NH1 3.29Å
492R87.8Confident81.9Confident16 Ų1628.9 Ų28.96%0.0617%0.168CC..THydrogen-bonded Turntrans-99.5-18.8-174.4-64.9-72-16872.91.9114H440 M443 E444 P488 L489 L490 R594H440-R492 PolarHBondContact CE1-NH2 3.08Å; H440-R492 PolarHBondContact NE2-NH1 3.48Å; H440-R492 PolarHBondContact NE2-NH2 3.01Å; H440-R492 PolarHBondContact O-NH1 3.37Å; M443-R492 HydrophobicContact CE-CB 3.82Å; E444-R492 VanDerWaalsContact CA-NH1 3.25Å; E444-R492 VanDerWaalsContact CB-NH2 3.25Å; E444-R492 IonicContact OE1-CZ 3.64Å; E444-R492 VanDerWaalsContact OE1-CZ 3.23Å; E444-R492 IonicContact OE1-NE 2.97Å; E444-R492 PolarHBondContact OE1-NE 2.9Å; E444-R492 IonicContact OE1-NH2 3.16Å; E444-R492 PolarHBondContact OE1-NH2 2.57Å; E444-R492 VanDerWaalsContact OE2-CD 3.3Å; E444-R492 WeakPolarHBondContact OE2-CD 3.5Å; E444-R492 IonicContact OE2-CZ 3.64Å; E444-R492 IonicContact OE2-NE 3.93Å; E444-R492 PolarHBondContact OE2-NE 3.15Å; E444-R492 IonicContact OE2-NH1 2.79Å; E444-R492 PolarHBondContact OE2-NH1 3.21Å; E444-R492 IonicContact OE2-NH2 3.28Å; E444-R492 PolarHBondContact OE2-NH2 3.06Å; P488-R492 VanDerWaalsContact O-CG 3.22Å; P488-R492 WeakPolarHBondContact O-CG 3.46Å; L489-R492 WeakPolarHBondContact O-CB 3.16Å; L489-R492 PolarHBondContact O-N 2.91Å; L490-R492 PolarHBondContact O-N 3.28Å; R492-R594 VanDerWaalsContact NE-CZ 3.34Å
493F90.1Very high82.6Confident9 Ų928.1 Ų28.14%0.03917%0.168CC..  trans-76.2126.8165.8-68.9-74.1000107.9H359 L361 F428 M443 V465 A467 L489 I496H359-F493 HydrophobicContact CB-CD1 3.86Å; H359-F493 HydrophobicContact CB-CE1 4.41Å; L361-F493 HydrophobicContact CB-CB 4.29Å; L361-F493 HydrophobicContact CB-CD1 3.78Å; L361-F493 HydrophobicContact CB-CD2 4.09Å; L361-F493 HydrophobicContact CB-CE1 4.08Å; L361-F493 HydrophobicContact CB-CE2 4.36Å; L361-F493 HydrophobicContact CB-CG 3.79Å; L361-F493 HydrophobicContact CB-CZ 4.36Å; L361-F493 HydrophobicContact CD1-CZ 4.4Å; L361-F493 HydrophobicContact CD2-CD2 4Å; L361-F493 HydrophobicContact CD2-CE2 4.1Å; F428-F493 HydrophobicContact CE1-CE2 4.3Å; F428-F493 HydrophobicContact CE1-CZ 4.31Å; F428-F493 HydrophobicContact CZ-CE2 4.45Å; F428-F493 HydrophobicContact CZ-CZ 4.18Å; M443-F493 HydrophobicContact CE-CD1 3.72Å; M443-F493 HydrophobicContact CE-CD2 4.05Å; M443-F493 HydrophobicContact CE-CE1 3.53Å; M443-F493 HydrophobicContact CE-CE2 3.88Å; M443-F493 HydrophobicContact CE-CG 3.98Å; M443-F493 HydrophobicContact CE-CZ 3.61Å; M443-F493 HydrophobicContact SD-CE1 4.43Å; M443-F493 HydrophobicContact SD-CZ 4.14Å; V465-F493 HydrophobicContact CG1-CE1 4.32Å; A467-F493 HydrophobicContact CB-CE1 4.18Å; A467-F493 HydrophobicContact CB-CZ 4.17Å; L489-F493 VanDerWaalsContact O-CD2 3.27Å; L489-F493 WeakPolarHBondContact O-CD2 3.23Å; L489-F493 PolarHBondContact O-N 2.53Å; F493-I496 HydrophobicContact CB-CD1 4.24Å; F493-I496 HydrophobicContact CB-CG1 3.89Å
494D91Very high82.8Confident16 Ų1633.9 Ų33.99%0.08620%0.199CC..SBendtrans-73-36.4179.5-58.2-71.7000110.1R355 P358 H359 S598 R601R355-D494 IonicContact NH2-OD2 3.99Å; R355-D494 PolarHBondContact NH2-OD2 2.82Å; P358-D494 WeakPolarHBondContact CA-OD2 3.44Å; H359-D494 PolarHBondContact N-OD2 3.05Å; H359-D494 PolarHBondContact O-N 3.12Å; D494-S598 VanDerWaalsContact OD1-CB 3.23Å; D494-S598 WeakPolarHBondContact OD1-CB 3.43Å; D494-S598 PolarHBondContact OD1-OG 2.96Å; D494-R601 IonicContact OD1-NH1 2.69Å; D494-R601 PolarHBondContact OD1-NH1 3.36Å
495L91.1Very high83.3Confident1 Ų133.8 Ų33.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-130.2134.1178-61172000111.1H359 I360 L361 L602 L626 V627H359-L495 PolarHBondContact O-N 2.82Å; I360-L495 WeakPolarHBondContact CA-O 3.34Å; I360-L495 HydrophobicContact CD1-CD1 4.39Å; I360-L495 HydrophobicContact CG1-CB 4.32Å; I360-L495 HydrophobicContact CG1-CD1 4.45Å; L361-L495 PolarHBondContact N-O 2.9Å; L495-L602 HydrophobicContact CD1-CD1 4.08Å; L495-L602 HydrophobicContact CD1-CD2 3.98Å; L495-L602 HydrophobicContact CD2-CD1 3.81Å; L495-L602 HydrophobicContact CG-CD1 3.96Å; L495-L626 HydrophobicContact CD1-CD2 3.44Å; L495-L626 VanDerWaalsContact CD1-CD2 3.44Å; L495-L626 HydrophobicContact CD2-CD2 3.31Å; L495-L626 HydrophobicContact CG-CD2 4.01Å; L495-V627 HydrophobicContact CD2-CG2 4Å
496I91Very high83.8Confident4 Ų440 Ų402%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-127118.5175.5-52.9-176.8000108.2L361 I363 L490 F493 S630 T634L361-I496 HydrophobicContact CB-CG1 4.29Å; L361-I496 HydrophobicContact CB-CG2 4.39Å; L361-I496 HydrophobicContact CD2-CD1 4.41Å; L361-I496 HydrophobicContact CD2-CG2 4.16Å; L361-I496 HydrophobicContact CG-CG2 4.39Å; L361-I496 WeakPolarHBondContact O-CA 3.25Å; I363-I496 HydrophobicContact CD1-CG2 3.76Å; I363-I496 HydrophobicContact CG1-CG2 4.18Å; L490-I496 HydrophobicContact CB-CD1 4.31Å; L490-I496 HydrophobicContact CD2-CD1 3.77Å; F493-I496 HydrophobicContact CB-CD1 4.24Å; F493-I496 HydrophobicContact CB-CG1 3.89Å; I496-S630 PolarHBondContact N-OG 2.84Å; I496-S630 PolarHBondContact O-OG 2.84Å; I496-T634 HydrophobicContact CB-CG2 4.27Å; I496-T634 HydrophobicContact CG2-CG2 3.88Å
497W90.5Very high84Confident0 Ų043.9 Ų43.90%024%0.238CC..EExtended strand (participates in β ladder)trans-106.4126177.4-66.1112.7000109.8L322 I323 S326 L361 L362 I363 L499 L626 C629 I658L322-W497 HydrophobicContact CB-CH2 3.88Å; L322-W497 HydrophobicContact CB-CZ2 4.15Å; L322-W497 HydrophobicContact CB-CZ3 4.39Å; L322-W497 HydrophobicContact CD1-CH2 4.16Å; L322-W497 HydrophobicContact CD1-CZ3 4.31Å; I323-W497 HydrophobicContact CG1-CD2 4.48Å; I323-W497 HydrophobicContact CG1-CG 4.28Å; S326-W497 PolarHBondContact OG-NE1 2.95Å; S326-W497 VanDerWaalsContact OG-NE1 3.1Å; L361-W497 PolarHBondContact O-N 3.01Å; L362-W497 HydrophobicContact CD2-CB 4.01Å; L362-W497 HydrophobicContact CD2-CG 4.33Å; I363-W497 PolarHBondContact N-O 2.88Å; I363-W497 VanDerWaalsContact O-O 3.11Å; W497-L499 HydrophobicContact CB-CD2 4.18Å; W497-L626 HydrophobicContact CH2-CG 4.41Å; W497-L626 HydrophobicContact CZ2-CD2 4.06Å; W497-L626 HydrophobicContact CZ2-CG 4.02Å; W497-C629 HydrophobicContact CH2-CB 3.8Å; W497-C629 HydrophobicContact CZ3-CB 3.87Å; W497-I658 HydrophobicContact CE3-CD1 4.26Å; W497-I658 HydrophobicContact CE3-CG2 4.09Å; W497-I658 HydrophobicContact CZ3-CD1 4.13Å; W497-I658 HydrophobicContact CZ3-CG2 4.25Å
498R86.1Confident84.3Confident62 Ų6241.4 Ų41.423%0.23422%0.221CC..EExtended strand (participates in β ladder)trans-97.7114.1167.6-177.7-176.4175.8173.4-5.7108.6I363 V500 S633 S636I363-R498 CarbonylContact O-C 3.58Å; I363-R498 WeakPolarHBondContact O-CA 3.47Å; R498-V500 HydrophobicContact CG-CG2 4.17Å; R498-S633 WeakPolarHBondContact CB-OG 3.08Å; R498-S633 WeakPolarHBondContact CD-O 3.35Å; R498-S633 PolarHBondContact N-OG 3.09Å; R498-S633 PolarHBondContact O-OG 3.4Å; R498-S633 VanDerWaalsContact O-OG 3.06Å; R498-S636 PolarHBondContact NH1-OG 3.23Å
499L86.7Confident84.5Confident0 Ų041.7 Ų41.70%022%0.219CC..EExtended strand (participates in β ladder)trans-98114.7178.7-47.2-176.4000108.2I323 I363 G364 D365 T368 K370 W497 V659I323-L499 HydrophobicContact CD1-CD1 4.09Å; I323-L499 HydrophobicContact CD1-CD2 3.19Å; I323-L499 HydrophobicContact CD1-CG 4.27Å; I323-L499 HydrophobicContact CG1-CD2 4.21Å; I363-L499 PolarHBondContact O-N 3.18Å; G364-L499 WeakPolarHBondContact CA-O 3.29Å; D365-L499 PolarHBondContact N-O 3.31Å; T368-L499 HydrophobicContact CG2-CB 4.26Å; K370-L499 HydrophobicContact CD-CD1 4.19Å; K370-L499 HydrophobicContact CG-CD1 3.76Å; W497-L499 HydrophobicContact CB-CD2 4.18Å; L499-V659 HydrophobicContact CB-CG2 4.25Å; L499-V659 HydrophobicContact CD2-CG2 4.39Å
500V82.9Confident84.8Confident27 Ų2750.2 Ų50.216%0.16425%0.251CS..  trans-113.7129173.5179.70000106.3R498 P502 P655 E656 V659R498-V500 HydrophobicContact CG-CG2 4.17Å; V500-P502 WeakPolarHBondContact O-CD 3.4Å; V500-P655 HydrophobicContact CB-CB 4.29Å; V500-P655 HydrophobicContact CG2-CB 3.92Å; V500-P655 HydrophobicContact CG2-CG 4.18Å; V500-E656 HydrophobicContact CG1-CG 4.34Å; V500-V659 WeakPolarHBondContact O-CG2 3.3Å
501D82.5Confident84.9Confident64 Ų6455.1 Ų55.134%0.34227%0.269SS..  trans-69.4121.2177.4-168.320.7000109.6T368 V503T368-D501 HydrophobicContact CG2-CB 4.23Å; D501-V503 VanDerWaalsContact C-N 3.27Å; D501-V503 PolarHBondContact O-N 2.86Å
502P80.2Confident85.1Confident5 Ų557 Ų573%0.03228%0.278CS..  trans-78.577.2-178.233.3-36.8000111.3V500 D504 S505 W508 E656V500-P502 WeakPolarHBondContact O-CD 3.4Å; P502-D504 PolarHBondContact O-N 3.31Å; P502-D504 VanDerWaalsContact O-N 3.16Å; P502-S505 PolarHBondContact O-N 3.34Å; P502-S505 PolarHBondContact O-OG 3.13Å; P502-S505 VanDerWaalsContact O-OG 3.06Å; P502-W508 VanDerWaalsContact CG-CD1 3.43Å; P502-W508 HydrophobicContact CG-CD2 4.28Å; P502-W508 HydrophobicContact CG-CG 3.88Å; P502-E656 HydrophobicContact CB-CB 3.9Å; P502-E656 HydrophobicContact CB-CG 4.07Å
503V74.9Confident85.1Confident105 Ų10558.5 Ų58.564%0.63629%0.294SS*.THydrogen-bonded Turntrans-61.3-22-177.9-64.20000114.4D501 S505D501-V503 VanDerWaalsContact C-N 3.27Å; D501-V503 PolarHBondContact O-N 2.86Å; V503-S505 VanDerWaalsContact C-N 3.34Å
504D71.6Confident85Confident141 Ų14162 Ų6275%0.75431%0.313SS*.THydrogen-bonded Turntrans-81.9-13.5-175.5-68.2-25000113.2P502P502-D504 PolarHBondContact O-N 3.31Å; P502-D504 VanDerWaalsContact O-N 3.16Å
505S79.4Confident84.8Confident41 Ų4163.5 Ų63.529%0.28732%0.319SS..  trans-101.891.6-169.762.30000113.5P502 V503 E507 W508 D509P502-S505 PolarHBondContact O-N 3.34Å; P502-S505 PolarHBondContact O-OG 3.13Å; P502-S505 VanDerWaalsContact O-OG 3.06Å; V503-S505 VanDerWaalsContact C-N 3.34Å; S505-E507 PolarHBondContact O-N 2.94Å; S505-W508 WeakPolarHBondContact O-CB 3.47Å; S505-W508 PolarHBondContact O-N 3.49Å; S505-W508 WeakPolarHBondContact OG-CB 3.44Å; S505-D509 PolarHBondContact O-N 3.3Å
506L85.3Confident84.5Confident148 Ų14867.3 Ų67.378%0.77534%0.342SS*.Hα-helixtrans-53.5-31.1174.8-70.2168.3000113.7R510L506-R510 WeakPolarHBondContact O-CB 3.49Å; L506-R510 PolarHBondContact O-N 3.4Å; L506-R510 VanDerWaalsContact O-N 3.09Å
507E83.8Confident84.4Confident131 Ų13172.2 Ų72.261%0.61237%0.367SS*.Hα-helixtrans-67.1-37.4176.8-68.1-169.9-16800113S505 R511S505-E507 PolarHBondContact O-N 2.94Å; E507-R511 VanDerWaalsContact O-CG 3.25Å; E507-R511 WeakPolarHBondContact O-CG 3.16Å; E507-R511 PolarHBondContact O-N 3.47Å; E507-R511 IonicContact OE2-CZ 2.63Å; E507-R511 IonicContact OE2-NH2 2.68Å; E507-R511 PolarHBondContact OE2-NH2 2.91Å
508W82.6Confident84.2Confident17 Ų1776.8 Ų76.86%0.06439%0.392CS..Hα-helixtrans-66-50.5178.3167.1-111.3000110.1Y318 P502 S505 R510 R511 I512 V659Y318-W508 HydrophobicContact CD1-CE3 4.41Å; Y318-W508 HydrophobicContact CD1-CH2 4.11Å; Y318-W508 AromaticContact CD1-CZ3 3.59Å; Y318-W508 HydrophobicContact CD1-CZ3 3.59Å; Y318-W508 HydrophobicContact CE1-CE3 4.46Å; Y318-W508 AromaticContact CE1-CZ3 3.92Å; Y318-W508 HydrophobicContact CE1-CZ3 3.92Å; P502-W508 VanDerWaalsContact CG-CD1 3.43Å; P502-W508 HydrophobicContact CG-CD2 4.28Å; P502-W508 HydrophobicContact CG-CG 3.88Å; S505-W508 WeakPolarHBondContact O-CB 3.47Å; S505-W508 PolarHBondContact O-N 3.49Å; S505-W508 WeakPolarHBondContact OG-CB 3.44Å; W508-R510 VanDerWaalsContact C-N 3.27Å; W508-R510 PolarHBondContact O-N 3.21Å; W508-R511 PolarHBondContact O-N 3.3Å; W508-I512 HydrophobicContact CD2-CD1 3.66Å; W508-I512 HydrophobicContact CD2-CG1 3.96Å; W508-I512 HydrophobicContact CE3-CD1 4.4Å; W508-I512 HydrophobicContact CE3-CG1 4.23Å; W508-I512 HydrophobicContact CG-CD1 3.99Å; W508-I512 HydrophobicContact CH2-CD1 4.15Å; W508-I512 HydrophobicContact CH2-CG1 4.01Å; W508-I512 HydrophobicContact CZ2-CD1 3.36Å; W508-I512 HydrophobicContact CZ2-CG1 3.74Å; W508-I512 HydrophobicContact CZ3-CG1 4.25Å; W508-I512 WeakPolarHBondContact O-CG1 3.42Å; W508-I512 PolarHBondContact O-N 2.89Å; W508-V659 HydrophobicContact CH2-CG1 4.07Å; W508-V659 HydrophobicContact CZ2-CG1 3.52Å
509D86.5Confident83.9Confident71 Ų7178.6 Ų78.638%0.3841%0.406SS..Hα-helixtrans-57.5-42.3177.7-66.7-15.2000111.3S505 R511 I512 A513S505-D509 PolarHBondContact O-N 3.3Å; D509-R511 PolarHBondContact O-N 3.19Å; D509-I512 PolarHBondContact O-N 3.3Å; D509-A513 WeakPolarHBondContact O-CB 3.33Å; D509-A513 PolarHBondContact O-N 3.2Å
510R89.9Confident83.3Confident182 Ų18285.1 Ų85.169%0.68744%0.441SS*.Hα-helixtrans-62.9-42.4175.6-176176178.7159.10.6112.2L506 W508 N514L506-R510 WeakPolarHBondContact O-CB 3.49Å; L506-R510 PolarHBondContact O-N 3.4Å; L506-R510 VanDerWaalsContact O-N 3.09Å; W508-R510 VanDerWaalsContact C-N 3.27Å; W508-R510 PolarHBondContact O-N 3.21Å; R510-N514 WeakPolarHBondContact O-CB 3.46Å; R510-N514 PolarHBondContact O-N 3.45Å; R510-N514 PolarHBondContact O-ND2 2.96Å
511R86.2Confident82.8Confident108 Ų10889.2 Ų89.241%0.40846%0.458SS..Hα-helixtrans-66.5-44178.6-72.8174.4-158.71799.2111.2Y318 E507 W508 D509 F515Y318-R511 HydrophobicContact CE1-CB 3.94Å; E507-R511 VanDerWaalsContact O-CG 3.25Å; E507-R511 WeakPolarHBondContact O-CG 3.16Å; E507-R511 PolarHBondContact O-N 3.47Å; E507-R511 IonicContact OE2-CZ 2.63Å; E507-R511 IonicContact OE2-NH2 2.68Å; E507-R511 PolarHBondContact OE2-NH2 2.91Å; W508-R511 PolarHBondContact O-N 3.3Å; D509-R511 PolarHBondContact O-N 3.19Å; R511-F515 VanDerWaalsContact O-CB 3.32Å; R511-F515 WeakPolarHBondContact O-CB 3.44Å; R511-F515 PolarHBondContact O-N 2.88Å
512I86.2Confident81.6Confident50 Ų5091.1 Ų91.126%0.25647%0.474SS..Hα-helixtrans-62.6-48.8174.7-62.4162.4000110.5W508 D509 N514 F515 V516W508-I512 HydrophobicContact CD2-CD1 3.66Å; W508-I512 HydrophobicContact CD2-CG1 3.96Å; W508-I512 HydrophobicContact CE3-CD1 4.4Å; W508-I512 HydrophobicContact CE3-CG1 4.23Å; W508-I512 HydrophobicContact CG-CD1 3.99Å; W508-I512 HydrophobicContact CH2-CD1 4.15Å; W508-I512 HydrophobicContact CH2-CG1 4.01Å; W508-I512 HydrophobicContact CZ2-CD1 3.36Å; W508-I512 HydrophobicContact CZ2-CG1 3.74Å; W508-I512 HydrophobicContact CZ3-CG1 4.25Å; W508-I512 WeakPolarHBondContact O-CG1 3.42Å; W508-I512 PolarHBondContact O-N 2.89Å; D509-I512 PolarHBondContact O-N 3.3Å; I512-N514 VanDerWaalsContact C-N 3.32Å; I512-N514 PolarHBondContact O-N 3.48Å; I512-F515 CarbonylContact O-C 3.51Å; I512-F515 WeakPolarHBondContact O-CA 3.49Å; I512-F515 WeakPolarHBondContact O-CB 3.46Å; I512-F515 PolarHBondContact O-N 3.23Å; I512-V516 HydrophobicContact CG2-CG2 3.88Å; I512-V516 WeakPolarHBondContact O-CG2 3.25Å; I512-V516 PolarHBondContact O-N 3.14Å
513A87.8Confident80.2Confident47 Ų4796.9 Ų96.939%0.38851%0.509SS..Hα-helixtrans-58.4-45.9-17800000111.1D509 F515 V516 L517D509-A513 WeakPolarHBondContact O-CB 3.33Å; D509-A513 PolarHBondContact O-N 3.2Å; A513-F515 VanDerWaalsContact C-N 3.35Å; A513-F515 PolarHBondContact O-N 3.47Å; A513-V516 PolarHBondContact O-N 3.4Å; A513-L517 WeakPolarHBondContact O-CB 3.33Å; A513-L517 WeakPolarHBondContact O-CD1 3.47Å; A513-L517 WeakPolarHBondContact O-CG 3.22Å; A513-L517 PolarHBondContact O-N 3.07Å
514N89.9Confident78.8Confident82 Ų8296.9 Ų96.944%0.43951%0.514SS..Hα-helixtrans-58.7-46.8173.5-71.8-13.2000111.5R510 I512 V516 L517 D518R510-N514 WeakPolarHBondContact O-CB 3.46Å; R510-N514 PolarHBondContact O-N 3.45Å; R510-N514 PolarHBondContact O-ND2 2.96Å; I512-N514 VanDerWaalsContact C-N 3.32Å; I512-N514 PolarHBondContact O-N 3.48Å; N514-V516 PolarHBondContact O-N 3.39Å; N514-L517 PolarHBondContact O-N 2.61Å; N514-D518 WeakPolarHBondContact O-CB 3.15Å; N514-D518 PolarHBondContact O-N 3.37Å
515F85.5Confident77.6Confident47 Ų4793.6 Ų93.621%0.20650%0.502CS..Hα-helixtrans-62.6-42.3-179.7175-96.6000112.9P315 E316 Y318 R511 I512 A513 D518 L519P315-F515 WeakPolarHBondContact O-CZ 3.24Å; E316-F515 WeakPolarHBondContact O-CE1 3.23Å; Y318-F515 HydrophobicContact CD2-CB 4.2Å; Y318-F515 AromaticContact CD2-CD2 3.91Å; Y318-F515 HydrophobicContact CD2-CD2 3.91Å; Y318-F515 AromaticContact CD2-CG 3.97Å; Y318-F515 HydrophobicContact CD2-CG 3.97Å; Y318-F515 HydrophobicContact CG-CB 4.43Å; Y318-F515 HydrophobicContact CG-CG 4.25Å; R511-F515 VanDerWaalsContact O-CB 3.32Å; R511-F515 WeakPolarHBondContact O-CB 3.44Å; R511-F515 PolarHBondContact O-N 2.88Å; I512-F515 CarbonylContact O-C 3.51Å; I512-F515 WeakPolarHBondContact O-CA 3.49Å; I512-F515 WeakPolarHBondContact O-CB 3.46Å; I512-F515 PolarHBondContact O-N 3.23Å; A513-F515 VanDerWaalsContact C-N 3.35Å; A513-F515 PolarHBondContact O-N 3.47Å; F515-D518 PolarHBondContact O-N 3.11Å; F515-L519 HydrophobicContact CD1-CD1 4.16Å; F515-L519 HydrophobicContact CE1-CD1 3.48Å; F515-L519 VanDerWaalsContact CE1-CD1 3.48Å; F515-L519 HydrophobicContact CE1-CG 4.17Å; F515-L519 HydrophobicContact CZ-CD1 3.77Å; F515-L519 HydrophobicContact CZ-CD2 4.22Å; F515-L519 HydrophobicContact CZ-CG 4.08Å; F515-L519 WeakPolarHBondContact O-CG 3.48Å; F515-L519 PolarHBondContact O-N 2.88Å; F515-L519 VanDerWaalsContact O-N 3.15Å
516V85.9Confident75.9Confident81 Ų8195.4 Ų95.449%0.49152%0.515SS..Hα-helixtrans-68.9-40.5178.2174.40000111.1I512 A513 N514 D518 L519 D520I512-V516 HydrophobicContact CG2-CG2 3.88Å; I512-V516 WeakPolarHBondContact O-CG2 3.25Å; I512-V516 PolarHBondContact O-N 3.14Å; A513-V516 PolarHBondContact O-N 3.4Å; N514-V516 PolarHBondContact O-N 3.39Å; V516-D518 VanDerWaalsContact C-N 3.32Å; V516-L519 WeakPolarHBondContact O-CB 3.31Å; V516-L519 PolarHBondContact O-N 3.38Å; V516-D520 PolarHBondContact O-N 3.12Å
517L88.1Confident73.6Confident107 Ų10796.7 Ų96.756%0.5652%0.519SS*.Hα-helixtrans-66.8-34.3175-68.7170.7000112.1A513 N514 L519 D520 Q521A513-L517 WeakPolarHBondContact O-CB 3.33Å; A513-L517 WeakPolarHBondContact O-CD1 3.47Å; A513-L517 WeakPolarHBondContact O-CG 3.22Å; A513-L517 PolarHBondContact O-N 3.07Å; N514-L517 PolarHBondContact O-N 2.61Å; L517-L519 VanDerWaalsContact C-N 3.29Å; L517-L519 PolarHBondContact O-N 3.32Å; L517-D520 PolarHBondContact O-N 3.01Å; L517-Q521 PolarHBondContact O-N 3.1Å
518D85.7Confident71.4Confident97 Ų9799.5 Ų99.552%0.51953%0.529SS..Hα-helixtrans-68-28.5175.1-74-16.1000112.2N514 F515 V516N514-D518 WeakPolarHBondContact O-CB 3.15Å; N514-D518 PolarHBondContact O-N 3.37Å; F515-D518 PolarHBondContact O-N 3.11Å; V516-D518 VanDerWaalsContact C-N 3.32Å
519L79.8Confident69.4Low100 Ų100102 Ų10252%0.52454%0.541SS..Hα-helixtrans-71.7-34174.6-73.7172.2000112.7F515 V516 L517F515-L519 HydrophobicContact CD1-CD1 4.16Å; F515-L519 HydrophobicContact CE1-CD1 3.48Å; F515-L519 VanDerWaalsContact CE1-CD1 3.48Å; F515-L519 HydrophobicContact CE1-CG 4.17Å; F515-L519 HydrophobicContact CZ-CD1 3.77Å; F515-L519 HydrophobicContact CZ-CD2 4.22Å; F515-L519 HydrophobicContact CZ-CG 4.08Å; F515-L519 WeakPolarHBondContact O-CG 3.48Å; F515-L519 PolarHBondContact O-N 2.88Å; F515-L519 VanDerWaalsContact O-N 3.15Å; V516-L519 WeakPolarHBondContact O-CB 3.31Å; V516-L519 PolarHBondContact O-N 3.38Å; L517-L519 VanDerWaalsContact C-N 3.29Å; L517-L519 PolarHBondContact O-N 3.32Å
520D74.6Confident66.9Low136 Ų136104.1 Ų104.173%0.72755%0.549SS*.Hα-helixtrans-81.1-23.3-175.3-160.835.2000112.8V516 L517 P522V516-D520 PolarHBondContact O-N 3.12Å; L517-D520 PolarHBondContact O-N 3.01Å; D520-P522 WeakPolarHBondContact O-CD 3.41Å
521Q73.6Confident64.5Low114 Ų114102.2 Ų102.253%0.53355%0.551SS.*SBendtrans-63110178.3-75.1-179.633.100111.2L517 T523L517-Q521 PolarHBondContact O-N 3.1Å; Q521-T523 PolarHBondContact O-N 3.16Å
522P56.7Low62.6Low104 Ų104101.6 Ų101.668%0.67556%0.559SS**  trans-71.8108179.629.6-30.7000108.7D520 S524D520-P522 WeakPolarHBondContact O-CD 3.41Å; P522-S524 PolarHBondContact O-N 3.4Å; P522-S524 PolarHBondContact O-OG 3.3Å
523T50.2Low60.7Low125 Ų125104.5 Ų104.577%0.76757%0.57SS**SBendtrans17.478.9147.751.40000115.8Q521Q521-T523 PolarHBondContact O-N 3.16Å
524S46.5Very low58.7Low106 Ų106109.6 Ų109.674%0.74159%0.585SS**  trans-145.8-5.9162.147.30000114P522P522-S524 PolarHBondContact O-N 3.4Å; P522-S524 PolarHBondContact O-OG 3.3Å
525S44.8Very low57.2Low72 Ų72111.8 Ų111.850%0.50359%0.593SS.*  trans-105.766.5177.451.20000112.4M527S525-M527 PolarHBondContact O-N 3.31Å
526S44.2Very low56.6Low79 Ų79113.4 Ų113.455%0.55260%0.603SS**THydrogen-bonded Turntrans-63-2.9-172.9-49.70000117.1E530S526-E530 WeakPolarHBondContact O-CG 3.3Å
527M37.9Very low56.3Low175 Ų175111.5 Ų111.586%0.86259%0.587SS**THydrogen-bonded Turntrans-95.3-12.6-170.4-74.5-159.883.200116.9S525S525-M527 PolarHBondContact O-N 3.31Å
528K37.9Very low56.2Low190 Ų190108.6 Ų108.683%0.82658%0.576SS**THydrogen-bonded Turntrans-112.7-16.5179.7-81-177.3177.5178.40115
529Q38.8Very low56.1Low68 Ų68109 Ų10932%0.31857%0.573SS.*SBendtrans-86.8-16.1-178.1-68.8-177.9-10.300113.4I531 K533Q529-I531 PolarHBondContact O-N 3Å; Q529-K533 HydrophobicContact CB-CD 3.98Å; Q529-K533 VanDerWaalsContact O-CB 3.26Å; Q529-K533 WeakPolarHBondContact O-CB 3.35Å; Q529-K533 VanDerWaalsContact O-CG 3.23Å; Q529-K533 WeakPolarHBondContact O-CG 3.44Å; Q529-K533 PolarHBondContact O-N 3.03Å; Q529-K533 VanDerWaalsContact O-N 3.07Å
530E34.8Very low56.3Low117 Ų117108.1 Ų108.155%0.54757%0.572SS.*Hα-helixtrans-66.5-36.5-176.5-69.1-175.1170.100112.5S526 T532 H534S526-E530 WeakPolarHBondContact O-CG 3.3Å; E530-T532 VanDerWaalsContact C-N 3.34Å; E530-T532 PolarHBondContact O-N 3.5Å; E530-H534 PolarHBondContact O-CD2 3.36Å; E530-H534 PolarHBondContact O-N 3Å
531I40.2Very low57Low141 Ų141103.1 Ų103.172%0.72355%0.545SS*.Hα-helixtrans-71-28.4-175.1-56.1170.3000112.4Q529Q529-I531 PolarHBondContact O-N 3Å
532T45.3Very low57.7Low96 Ų9697.8 Ų97.859%0.58952%0.52SS*.Hα-helixtrans-98-25.4179.454.50000113.4E530E530-T532 VanDerWaalsContact C-N 3.34Å; E530-T532 PolarHBondContact O-N 3.5Å
533K47.6Very low59.1Low111 Ų11195.1 Ų95.148%0.48350%0.498SS..Hα-helixtrans-72.1-29.4177.4-76.3178.3174.2177.70113.4Q529 H535 L536Q529-K533 HydrophobicContact CB-CD 3.98Å; Q529-K533 VanDerWaalsContact O-CB 3.26Å; Q529-K533 WeakPolarHBondContact O-CB 3.35Å; Q529-K533 VanDerWaalsContact O-CG 3.23Å; Q529-K533 WeakPolarHBondContact O-CG 3.44Å; Q529-K533 PolarHBondContact O-N 3.03Å; Q529-K533 VanDerWaalsContact O-N 3.07Å; K533-H535 PolarHBondContact O-N 2.9Å; K533-L536 PolarHBondContact O-N 3.15Å
534H45.9Very low60.8Low153 Ų15392.2 Ų92.271%0.70848%0.476SS*.THydrogen-bonded Turntrans-62.4-14.3179.5-81.2-60.9000115.2E530E530-H534 PolarHBondContact O-CD2 3.36Å; E530-H534 PolarHBondContact O-N 3Å
535H58.3Low62.9Low129 Ų12987.1 Ų87.160%0.59744%0.44SS*.THydrogen-bonded Turntrans-106.6-5179-72.1-66000114.7I308 K533I308-H535 WeakPolarHBondContact CG2-O 3.27Å; K533-H535 PolarHBondContact O-N 2.9Å
536L71.4Confident65Low80 Ų8084.1 Ų84.142%0.41942%0.418SS..PPolyproline II helixtrans-86.8120.8-179.6-77.5151.9000109.6R311 K533R311-L536 HydrophobicContact CB-CD2 4.36Å; K533-L536 PolarHBondContact O-N 3.15Å
537W80.3Confident66.9Low42 Ų4282 Ų8216%0.15940%0.402CS..PPolyproline II helixtrans-68.9141.2175.7-71.127.4000109.6F289 F292 L309 D541 L542 Y545F289-W537 AromaticContact CD1-CH2 3.57Å; F289-W537 HydrophobicContact CD1-CH2 3.57Å; F289-W537 AromaticContact CD1-CZ3 3.66Å; F289-W537 HydrophobicContact CD1-CZ3 3.66Å; F289-W537 HydrophobicContact CE1-CE3 4.21Å; F289-W537 AromaticContact CE1-CH2 3.86Å; F289-W537 HydrophobicContact CE1-CH2 3.86Å; F289-W537 AromaticContact CE1-CZ3 3.47Å; F289-W537 HydrophobicContact CE1-CZ3 3.47Å; F289-W537 VanDerWaalsContact CE1-CZ3 3.47Å; F292-W537 HydrophobicContact CB-CZ2 4.45Å; F292-W537 HydrophobicContact CD1-CH2 4.22Å; F292-W537 AromaticContact CD1-CZ2 3.73Å; F292-W537 HydrophobicContact CD1-CZ2 3.73Å; F292-W537 AromaticContact CD2-CZ2 3.89Å; F292-W537 HydrophobicContact CD2-CZ2 3.89Å; F292-W537 HydrophobicContact CE1-CH2 4.49Å; F292-W537 AromaticContact CE1-CZ2 3.83Å; F292-W537 HydrophobicContact CE1-CZ2 3.83Å; F292-W537 AromaticContact CE2-CZ2 3.98Å; F292-W537 HydrophobicContact CE2-CZ2 3.98Å; F292-W537 HydrophobicContact CG-CH2 4.46Å; F292-W537 AromaticContact CG-CZ2 3.76Å; F292-W537 HydrophobicContact CG-CZ2 3.76Å; F292-W537 AromaticContact CZ-CZ2 3.94Å; F292-W537 HydrophobicContact CZ-CZ2 3.94Å; L309-W537 HydrophobicContact CD2-CD2 3.81Å; L309-W537 HydrophobicContact CD2-CE3 3.69Å; L309-W537 HydrophobicContact CD2-CH2 3.83Å; L309-W537 HydrophobicContact CD2-CZ2 3.96Å; L309-W537 HydrophobicContact CD2-CZ3 3.7Å; W537-D541 HydrophobicContact CE3-CB 4.43Å; W537-L542 HydrophobicContact CB-CD2 4.04Å; W537-L542 HydrophobicContact CB-CG 3.93Å; W537-L542 HydrophobicContact CD2-CD2 4.41Å; W537-L542 HydrophobicContact CE3-CD2 3.9Å; W537-Y545 HydrophobicContact CE3-CG 4.5Å; W537-Y545 AromaticContact CH2-CD2 3.95Å; W537-Y545 HydrophobicContact CH2-CD2 3.95Å; W537-Y545 HydrophobicContact CH2-CE2 4.22Å; W537-Y545 HydrophobicContact CH2-CG 4.26Å; W537-Y545 HydrophobicContact CZ3-CD1 4.1Å; W537-Y545 AromaticContact CZ3-CD2 3.69Å; W537-Y545 HydrophobicContact CZ3-CD2 3.69Å; W537-Y545 HydrophobicContact CZ3-CE2 4.33Å; W537-Y545 AromaticContact CZ3-CG 3.57Å; W537-Y545 HydrophobicContact CZ3-CG 3.57Å
538S85.3Confident69.2Low46 Ų4674.4 Ų74.432%0.32236%0.364SS..PPolyproline II helixtrans-67.1156.8174.575.10000110.1T540 D541 L542S538-T540 PolarHBondContact O-N 3.19Å; S538-T540 PolarHBondContact OG-OG1 3.23Å; S538-D541 WeakPolarHBondContact CB-OD2 3.28Å; S538-D541 PolarHBondContact N-OD2 3.02Å; S538-D541 PolarHBondContact O-N 3.22Å; S538-D541 PolarHBondContact OG-N 3.2Å; S538-D541 VanDerWaalsContact OG-N 3.17Å; S538-D541 PolarHBondContact OG-OD1 3.05Å; S538-D541 PolarHBondContact OG-OD2 3.46Å; S538-L542 PolarHBondContact O-N 2.91Å; S538-L542 VanDerWaalsContact O-N 3.1Å
539K83.8Confident71.6Confident104 Ų10465.4 Ų65.445%0.45232%0.324SS..Hα-helixtrans-56.3-36.6176.9-69.5-176.9179.7-179.10111E316 K543E316-K539 IonicContact OE1-NZ 3.02Å; E316-K539 PolarHBondContact OE1-NZ 3.27Å; K539-K543 WeakPolarHBondContact O-CG 3.45Å; K539-K543 PolarHBondContact O-N 3.42Å
540T85.1Confident73.8Confident82 Ų8265.1 Ų65.150%0.50332%0.32SS..Hα-helixtrans-68.2-45.7178.343.20000112.4S538 L542 K543 E544S538-T540 PolarHBondContact O-N 3.19Å; S538-T540 PolarHBondContact OG-OG1 3.23Å; T540-L542 PolarHBondContact O-N 3.22Å; T540-K543 WeakPolarHBondContact O-CB 3.44Å; T540-K543 PolarHBondContact O-N 3.43Å; T540-K543 VanDerWaalsContact O-N 3.12Å; T540-E544 PolarHBondContact O-N 3.33Å; T540-E544 VanDerWaalsContact O-N 3.08Å
541D87.6Confident76Confident32 Ų3263.1 Ų63.117%0.17131%0.313CS..Hα-helixtrans-62.7-35.2179-54.9-39.2000110.9R285 W537 S538 Y545R285-D541 IonicContact CZ-OD1 3.97Å; R285-D541 IonicContact NH1-OD1 3.02Å; R285-D541 PolarHBondContact NH1-OD1 2.59Å; R285-D541 VanDerWaalsContact NH1-OD1 3.16Å; R285-D541 IonicContact NH2-OD1 3.95Å; R285-D541 PolarHBondContact NH2-OD1 3.07Å; W537-D541 HydrophobicContact CE3-CB 4.43Å; S538-D541 WeakPolarHBondContact CB-OD2 3.28Å; S538-D541 PolarHBondContact N-OD2 3.02Å; S538-D541 PolarHBondContact O-N 3.22Å; S538-D541 PolarHBondContact OG-N 3.2Å; S538-D541 VanDerWaalsContact OG-N 3.17Å; S538-D541 PolarHBondContact OG-OD1 3.05Å; S538-D541 PolarHBondContact OG-OD2 3.46Å; D541-Y545 VanDerWaalsContact O-CB 3.26Å; D541-Y545 WeakPolarHBondContact O-CB 3.16Å; D541-Y545 PolarHBondContact O-N 3.08Å
542L88.4Confident78.1Confident1 Ų162.1 Ų62.11%0.00530%0.3CS..Hα-helixtrans-65.9-41174.5-73.3172.1000113.3L309 S312 L380 W537 S538 T540 Y545 F546L309-L542 HydrophobicContact CD2-CD2 4.01Å; S312-L542 WeakPolarHBondContact OG-CD1 3.02Å; S312-L542 WeakPolarHBondContact OG-CD2 3.47Å; L380-L542 HydrophobicContact CD2-CB 3.96Å; L380-L542 HydrophobicContact CD2-CD1 3.92Å; W537-L542 HydrophobicContact CB-CD2 4.04Å; W537-L542 HydrophobicContact CB-CG 3.93Å; W537-L542 HydrophobicContact CD2-CD2 4.41Å; W537-L542 HydrophobicContact CE3-CD2 3.9Å; S538-L542 PolarHBondContact O-N 2.91Å; S538-L542 VanDerWaalsContact O-N 3.1Å; T540-L542 PolarHBondContact O-N 3.22Å; L542-Y545 WeakPolarHBondContact O-CB 3.33Å; L542-Y545 PolarHBondContact O-N 3.04Å; L542-F546 WeakPolarHBondContact O-CD2 3.22Å; L542-F546 PolarHBondContact O-N 3.02Å
543K86.4Confident80Confident49 Ų4958.2 Ų58.221%0.21328%0.275CS..Hα-helixtrans-59.8-51.7175.7-64-168.3-169.3-143.80110.4S379 L380 K539 T540 Y545 F546 V547S379-K543 WeakPolarHBondContact O-CE 3.34Å; S379-K543 PolarHBondContact O-NZ 3.04Å; L380-K543 WeakPolarHBondContact O-CG 3.13Å; K539-K543 WeakPolarHBondContact O-CG 3.45Å; K539-K543 PolarHBondContact O-N 3.42Å; T540-K543 WeakPolarHBondContact O-CB 3.44Å; T540-K543 PolarHBondContact O-N 3.43Å; T540-K543 VanDerWaalsContact O-N 3.12Å; K543-Y545 VanDerWaalsContact C-N 3.25Å; K543-Y545 PolarHBondContact O-N 3.44Å; K543-F546 PolarHBondContact O-N 3Å; K543-V547 WeakPolarHBondContact O-CG2 3.48Å; K543-V547 PolarHBondContact O-N 3.12Å
544E86.6Confident81.9Confident63 Ų6356.8 Ų56.829%0.29428%0.276SS..Hα-helixtrans-55.4-42.9178.2-77.2-180-163.800111.1I281 R285 F289 T540 V547 W548I281-E544 HydrophobicContact CD1-CB 4.01Å; I281-E544 VanDerWaalsContact CD1-O 3.24Å; I281-E544 WeakPolarHBondContact CD1-O 3.37Å; R285-E544 IonicContact NE-OE2 3.61Å; F289-E544 HydrophobicContact CE2-CB 4.28Å; F289-E544 HydrophobicContact CZ-CB 4.11Å; T540-E544 PolarHBondContact O-N 3.33Å; T540-E544 VanDerWaalsContact O-N 3.08Å; E544-V547 PolarHBondContact O-N 3.14Å; E544-W548 WeakPolarHBondContact O-CB 3.15Å; E544-W548 PolarHBondContact O-N 3.15Å
545Y89.7Confident84Confident0 Ų049.6 Ų49.60%024%0.243CC..Hα-helixtrans-60.6-47.8176.2-179.1-114.4000113.7F289 W293 L309 W537 D541 L542 K543 V547 W548 I549 L609F289-Y545 HydrophobicContact CB-CD2 4.42Å; F289-Y545 AromaticContact CD1-CD2 3.91Å; F289-Y545 HydrophobicContact CD1-CD2 3.91Å; F289-Y545 HydrophobicContact CD2-CD2 4.41Å; F289-Y545 HydrophobicContact CE1-CD2 4.26Å; F289-Y545 HydrophobicContact CG-CD2 4Å; W293-Y545 VanDerWaalsContact CE2-OH 3.25Å; W293-Y545 WeakPolarHBondContact CZ2-OH 3.47Å; W293-Y545 AromaticContact NE1-CE2 3.47Å; W293-Y545 AromaticContact NE1-CZ 3.56Å; W293-Y545 PolarHBondContact NE1-OH 3.48Å; L309-Y545 HydrophobicContact CD1-CD1 4.46Å; L309-Y545 HydrophobicContact CD1-CE1 3.53Å; L309-Y545 HydrophobicContact CD2-CD1 4.25Å; L309-Y545 HydrophobicContact CD2-CE1 4.09Å; L309-Y545 HydrophobicContact CG-CE1 4.46Å; W537-Y545 HydrophobicContact CE3-CG 4.5Å; W537-Y545 AromaticContact CH2-CD2 3.95Å; W537-Y545 HydrophobicContact CH2-CD2 3.95Å; W537-Y545 HydrophobicContact CH2-CE2 4.22Å; W537-Y545 HydrophobicContact CH2-CG 4.26Å; W537-Y545 HydrophobicContact CZ3-CD1 4.1Å; W537-Y545 AromaticContact CZ3-CD2 3.69Å; W537-Y545 HydrophobicContact CZ3-CD2 3.69Å; W537-Y545 HydrophobicContact CZ3-CE2 4.33Å; W537-Y545 AromaticContact CZ3-CG 3.57Å; W537-Y545 HydrophobicContact CZ3-CG 3.57Å; D541-Y545 VanDerWaalsContact O-CB 3.26Å; D541-Y545 WeakPolarHBondContact O-CB 3.16Å; D541-Y545 PolarHBondContact O-N 3.08Å; L542-Y545 WeakPolarHBondContact O-CB 3.33Å; L542-Y545 PolarHBondContact O-N 3.04Å; K543-Y545 VanDerWaalsContact C-N 3.25Å; K543-Y545 PolarHBondContact O-N 3.44Å; Y545-V547 VanDerWaalsContact C-N 3.33Å; Y545-V547 PolarHBondContact O-N 2.99Å; Y545-W548 HydrophobicContact CD2-CE3 4.02Å; Y545-W548 HydrophobicContact CD2-CZ3 4.32Å; Y545-W548 HydrophobicContact CE2-CE3 4.03Å; Y545-W548 AromaticContact CE2-CZ3 3.94Å; Y545-W548 HydrophobicContact CE2-CZ3 3.94Å; Y545-W548 PolarHBondContact O-N 2.88Å; Y545-I549 HydrophobicContact CD1-CD1 3.56Å; Y545-I549 HydrophobicContact CD2-CD1 4.07Å; Y545-I549 HydrophobicContact CD2-CG1 4.27Å; Y545-I549 HydrophobicContact CE1-CD1 3.07Å; Y545-I549 HydrophobicContact CE1-CG1 4.2Å; Y545-I549 HydrophobicContact CE2-CD1 3.64Å; Y545-I549 HydrophobicContact CE2-CG1 3.87Å; Y545-I549 HydrophobicContact CG-CD1 4.02Å; Y545-I549 VanDerWaalsContact O-CG1 3.29Å; Y545-I549 WeakPolarHBondContact O-CG1 3.48Å; Y545-I549 PolarHBondContact O-N 3.31Å; Y545-I549 WeakPolarHBondContact OH-CD1 3.37Å; Y545-L609 HydrophobicContact CE1-CD1 4.41Å; Y545-L609 PolarHBondContact OH-O 3.26Å
546F88.8Confident85.5Confident9 Ų949.3 Ų49.34%0.03924%0.242CC..Hα-helixtrans-65.6-36.4178.8-73-61.9000112.4I313 L331 L542 K543 R550 L609I313-F546 HydrophobicContact CD1-CZ 4.08Å; L331-F546 HydrophobicContact CB-CD1 3.71Å; L331-F546 HydrophobicContact CB-CD2 4.23Å; L331-F546 HydrophobicContact CB-CE1 3.55Å; L331-F546 HydrophobicContact CB-CE2 4.1Å; L331-F546 HydrophobicContact CB-CG 4.06Å; L331-F546 HydrophobicContact CB-CZ 3.77Å; L331-F546 HydrophobicContact CD1-CD2 4.25Å; L331-F546 HydrophobicContact CD1-CE1 4.42Å; L331-F546 HydrophobicContact CD1-CE2 3.65Å; L331-F546 HydrophobicContact CD1-CZ 3.75Å; L331-F546 HydrophobicContact CG-CE2 4.5Å; L331-F546 HydrophobicContact CG-CZ 4.42Å; L542-F546 WeakPolarHBondContact O-CD2 3.22Å; L542-F546 PolarHBondContact O-N 3.02Å; K543-F546 PolarHBondContact O-N 3Å; F546-R550 WeakPolarHBondContact O-CB 3.4Å; F546-R550 WeakPolarHBondContact O-CD 3.37Å; F546-R550 WeakPolarHBondContact O-CG 3.49Å; F546-R550 PolarHBondContact O-N 2.92Å; F546-L609 HydrophobicContact CE1-CD1 4.09Å
547V84.5Confident86.4Confident34 Ų3448 Ų4821%0.20624%0.235CC..Hα-helixtrans-64.6-47.6173.9174.50000110.4D382 K543 E544 Y545 I549 R550 D551D382-V547 WeakPolarHBondContact OD2-CG2 3.47Å; K543-V547 WeakPolarHBondContact O-CG2 3.48Å; K543-V547 PolarHBondContact O-N 3.12Å; E544-V547 PolarHBondContact O-N 3.14Å; Y545-V547 VanDerWaalsContact C-N 3.33Å; Y545-V547 PolarHBondContact O-N 2.99Å; V547-I549 PolarHBondContact O-N 2.84Å; V547-R550 WeakPolarHBondContact O-CB 3.27Å; V547-R550 PolarHBondContact O-N 3.33Å; V547-R550 VanDerWaalsContact O-N 3.13Å; V547-D551 PolarHBondContact O-N 3.08Å; V547-D551 VanDerWaalsContact O-N 3.09Å
548W86.4Confident87Confident16 Ų1647.3 Ų47.36%0.06124%0.237CC..Hα-helixtrans-58.6-47.5179.5178.268.4000113.5I281 F289 E290 E544 Y545 R550 D551 R552 F553 C611I281-W548 HydrophobicContact CD1-CB 3.64Å; I281-W548 HydrophobicContact CD1-CG 4.29Å; F289-W548 HydrophobicContact CB-CD2 4.38Å; F289-W548 HydrophobicContact CB-CE3 3.96Å; F289-W548 HydrophobicContact CB-CH2 3.81Å; F289-W548 HydrophobicContact CB-CZ2 4.2Å; F289-W548 HydrophobicContact CB-CZ3 3.68Å; F289-W548 HydrophobicContact CD2-CB 4.46Å; F289-W548 HydrophobicContact CD2-CD2 4.11Å; F289-W548 HydrophobicContact CD2-CE3 4.16Å; F289-W548 HydrophobicContact CD2-CG 4.26Å; F289-W548 HydrophobicContact CG-CE3 4.34Å; F289-W548 HydrophobicContact CG-CZ3 4.5Å; E290-W548 HydrophobicContact CG-CH2 4.21Å; E290-W548 HydrophobicContact CG-CZ2 3.83Å; E544-W548 WeakPolarHBondContact O-CB 3.15Å; E544-W548 PolarHBondContact O-N 3.15Å; Y545-W548 HydrophobicContact CD2-CE3 4.02Å; Y545-W548 HydrophobicContact CD2-CZ3 4.32Å; Y545-W548 HydrophobicContact CE2-CE3 4.03Å; Y545-W548 AromaticContact CE2-CZ3 3.94Å; Y545-W548 HydrophobicContact CE2-CZ3 3.94Å; Y545-W548 PolarHBondContact O-N 2.88Å; W548-R550 PolarHBondContact O-N 3Å; W548-D551 PolarHBondContact O-N 3.43Å; W548-R552 WeakPolarHBondContact O-CB 2.92Å; W548-R552 PolarHBondContact O-N 2.99Å; W548-R552 VanDerWaalsContact O-N 3.09Å; W548-F553 AromaticContact CH2-CE2 3.97Å; W548-F553 HydrophobicContact CH2-CE2 3.97Å; W548-F553 HydrophobicContact CH2-CZ 4.37Å; W548-F553 HydrophobicContact CZ2-CE2 4.35Å; W548-F553 HydrophobicContact CZ3-CE2 4.05Å; W548-C611 WeakPolarHBondContact CZ3-SG 3.48Å
549I88.7Confident87.3Confident0 Ų051.5 Ų51.50%026%0.255CS..Hα-helixtrans-60.3-39.5177.7-72164000111Y545 V547 D551 F553 R608Y545-I549 HydrophobicContact CD1-CD1 3.56Å; Y545-I549 HydrophobicContact CD2-CD1 4.07Å; Y545-I549 HydrophobicContact CD2-CG1 4.27Å; Y545-I549 HydrophobicContact CE1-CD1 3.07Å; Y545-I549 HydrophobicContact CE1-CG1 4.2Å; Y545-I549 HydrophobicContact CE2-CD1 3.64Å; Y545-I549 HydrophobicContact CE2-CG1 3.87Å; Y545-I549 HydrophobicContact CG-CD1 4.02Å; Y545-I549 VanDerWaalsContact O-CG1 3.29Å; Y545-I549 WeakPolarHBondContact O-CG1 3.48Å; Y545-I549 PolarHBondContact O-N 3.31Å; Y545-I549 WeakPolarHBondContact OH-CD1 3.37Å; V547-I549 PolarHBondContact O-N 2.84Å; I549-D551 VanDerWaalsContact C-N 3.34Å; I549-F553 PolarHBondContact O-N 3.39Å; I549-R608 HydrophobicContact CG2-CB 4.31Å; I549-R608 HydrophobicContact CG2-CG 3.14Å; I549-R608 WeakPolarHBondContact CG2-O 3.4Å; I549-R608 PolarHBondContact O-NE 3.49Å
550R85.5Confident87.7Confident62 Ų6251.4 Ų51.423%0.23426%0.256CS..Hα-helixtrans-65.6-38.8-178.8-76.7170.7178.6-1582.5111.6L331 A332 F546 V547 W548 R608L331-R550 PolarHBondContact O-NE 3.26Å; L331-R550 PolarHBondContact O-NH2 3.4Å; A332-R550 WeakPolarHBondContact O-CG 3.24Å; F546-R550 WeakPolarHBondContact O-CB 3.4Å; F546-R550 WeakPolarHBondContact O-CD 3.37Å; F546-R550 WeakPolarHBondContact O-CG 3.49Å; F546-R550 PolarHBondContact O-N 2.92Å; V547-R550 WeakPolarHBondContact O-CB 3.27Å; V547-R550 PolarHBondContact O-N 3.33Å; V547-R550 VanDerWaalsContact O-N 3.13Å; W548-R550 PolarHBondContact O-N 3Å; R550-R608 VanDerWaalsContact C-NH2 3.29Å; R550-R608 PolarHBondContact O-NH2 3.46Å
551D81.3Confident88.1Confident75 Ų7547.5 Ų47.540%0.40123%0.232SC..Hα-helixtrans-79.1-36-177.6-67.4-4.7000112.3S279 V547 W548 I549S279-D551 WeakPolarHBondContact CB-OD2 3.41Å; S279-D551 PolarHBondContact N-OD2 2.86Å; S279-D551 VanDerWaalsContact N-OD2 3.11Å; S279-D551 PolarHBondContact OG-OD2 3.32Å; V547-D551 PolarHBondContact O-N 3.08Å; V547-D551 VanDerWaalsContact O-N 3.09Å; W548-D551 PolarHBondContact O-N 3.43Å; I549-D551 VanDerWaalsContact C-N 3.34Å
552R84.2Confident88.3Confident120 Ų12047.6 Ų47.645%0.45324%0.237SC..Hα-helixtrans-88.1-41-169.4-170.7178.4-175.9-174.913.3114.9E290 W548E290-R552 IonicContact OE1-CZ 3.25Å; E290-R552 IonicContact OE1-NH1 2.58Å; E290-R552 PolarHBondContact OE1-NH1 3.31Å; E290-R552 IonicContact OE1-NH2 3.6Å; E290-R552 PolarHBondContact OE1-NH2 3.47Å; W548-R552 WeakPolarHBondContact O-CB 2.92Å; W548-R552 PolarHBondContact O-N 2.99Å; W548-R552 VanDerWaalsContact O-N 3.09Å
553F85.3Confident88.6Confident14 Ų1450.1 Ų50.16%0.06125%0.25CS..  trans-105.4123.4-166.4-65.3-82.3000112.2W548 I549 R608 C611 N613W548-F553 AromaticContact CH2-CE2 3.97Å; W548-F553 HydrophobicContact CH2-CE2 3.97Å; W548-F553 HydrophobicContact CH2-CZ 4.37Å; W548-F553 HydrophobicContact CZ2-CE2 4.35Å; W548-F553 HydrophobicContact CZ3-CE2 4.05Å; I549-F553 PolarHBondContact O-N 3.39Å; F553-R608 HydrophobicContact CB-CG 4.24Å; F553-R608 PolarHBondContact O-NE 3.19Å; F553-R608 VanDerWaalsContact O-NE 3.15Å; F553-R608 PolarHBondContact O-NH2 3.05Å; F553-C611 HydrophobicContact CD2-CB 4.41Å; F553-C611 HydrophobicContact CE1-CB 4.05Å; F553-C611 WeakPolarHBondContact CE1-O 3.28Å; F553-C611 HydrophobicContact CE2-CB 3.71Å; F553-C611 HydrophobicContact CZ-CB 3.52Å; F553-N613 VanDerWaalsContact CD1-OD1 3.22Å; F553-N613 WeakPolarHBondContact CD1-OD1 3.46Å
554T86.5Confident88.9Confident82 Ų8248.5 Ų48.550%0.50324%0.244SC..  trans-123.577.8174.648.70000110.5P335 Q556P335-T554 HydrophobicContact CB-CG2 4.06Å; T554-Q556 PolarHBondContact O-N 2.98Å
555P90.1Very high89.2Confident1 Ų145.5 Ų45.51%0.00623%0.23CC..PPolyproline II helixtrans-67.2133.4-169.124.4-33.5000113.5K604 A607 R608 N613P555-K604 HydrophobicContact CG-CB 4.08Å; P555-K604 HydrophobicContact CG-CG 4.45Å; P555-K604 VanDerWaalsContact CG-O 3.28Å; P555-K604 WeakPolarHBondContact CG-O 3.3Å; P555-A607 HydrophobicContact CB-CB 4.08Å; P555-A607 HydrophobicContact CG-CB 4.45Å; P555-R608 HydrophobicContact CG-CB 4.04Å; P555-N613 WeakPolarHBondContact CA-O 3.38Å
556Q89.6Confident89.3Confident124 Ų12450.9 Ų50.958%0.57926%0.255SS*.EExtended strand (participates in β ladder)trans-90.7143.1172.1-61.9-58.7-2700110.9T554 N613 E614 A615T554-Q556 PolarHBondContact O-N 2.98Å; Q556-N613 PolarHBondContact N-O 2.94Å; Q556-E614 CarbonylContact O-C 3.59Å; Q556-E614 WeakPolarHBondContact O-CA 3.28Å; Q556-A615 PolarHBondContact O-N 3.22Å
557L89.5Confident89.4Confident51 Ų5156.5 Ų56.527%0.26728%0.276SS..EExtended strand (participates in β ladder)trans-78.1124178.8-172.768.7000109.9A561 A562 L565 V600 T603 A615L557-A561 HydrophobicContact CD1-CB 3.84Å; L557-A562 HydrophobicContact CD2-CB 3.72Å; L557-A562 HydrophobicContact CG-CB 4.21Å; L557-L565 HydrophobicContact CD1-CD1 4.34Å; L557-V600 HydrophobicContact CD2-CG1 4.4Å; L557-V600 HydrophobicContact CD2-CG2 4.18Å; L557-T603 HydrophobicContact CD1-CG2 4.33Å; L557-A615 HydrophobicContact CD1-CB 4.16Å
558S93.1Very high89.6Confident28 Ų2854.9 Ų54.920%0.19627%0.267CS..PPolyproline II helixtrans-66.1148.917263.20000111.3E560 A561 A562 A615S558-E560 PolarHBondContact O-N 3.49Å; S558-A561 PolarHBondContact O-N 2.85Å; S558-A561 WeakPolarHBondContact OG-CB 3.36Å; S558-A561 PolarHBondContact OG-N 2.73Å; S558-A562 PolarHBondContact O-N 3.15Å; S558-A615 VanDerWaalsContact CB-O 3.24Å; S558-A615 WeakPolarHBondContact CB-O 3.35Å; S558-A615 PolarHBondContact N-O 2.88Å; S558-A615 VanDerWaalsContact N-O 3.14Å; S558-A615 PolarHBondContact OG-O 3.09Å
559L92.8Very high89.8Confident135 Ų13555.3 Ų55.371%0.70727%0.268SS*.Hα-helixtrans-60.4-34.9178.2-177.662.7000111.7A562 N563L559-A562 PolarHBondContact O-N 2.94Å; L559-N563 VanDerWaalsContact O-CG 3.27Å; L559-N563 PolarHBondContact O-N 3.1Å; L559-N563 PolarHBondContact O-ND2 3.39Å
560E91.9Very high89.8Confident102 Ų10259.5 Ų59.548%0.47729%0.293SS..Hα-helixtrans-68.7-44.7179.6-55.918015200111.7S558 A562 N563 L564 I617S558-E560 PolarHBondContact O-N 3.49Å; E560-A562 VanDerWaalsContact C-N 3.33Å; E560-A562 PolarHBondContact O-N 3.06Å; E560-N563 PolarHBondContact O-N 3.19Å; E560-L564 PolarHBondContact O-N 3.25Å; E560-I617 HydrophobicContact CB-CD1 3.54Å; E560-I617 HydrophobicContact CB-CG1 3.52Å; E560-I617 HydrophobicContact CG-CD1 4.35Å; E560-I617 WeakPolarHBondContact OE2-CD1 3.41Å
561A92.8Very high89.8Confident0 Ų057.9 Ų57.90%029%0.287CS..Hα-helixtrans-62.1-41.7173.200000111.2L557 S558 N563 L564 L565 A620L557-A561 HydrophobicContact CD1-CB 3.84Å; S558-A561 PolarHBondContact O-N 2.85Å; S558-A561 WeakPolarHBondContact OG-CB 3.36Å; S558-A561 PolarHBondContact OG-N 2.73Å; A561-N563 PolarHBondContact O-N 2.94Å; A561-L564 PolarHBondContact O-N 2.9Å; A561-L565 VanDerWaalsContact O-CG 3.31Å; A561-L565 WeakPolarHBondContact O-CG 3.45Å; A561-L565 PolarHBondContact O-N 3.47Å; A561-A620 HydrophobicContact CB-CB 4.16Å
562A93.3Very high89.9Confident33 Ų3355 Ų5527%0.27327%0.271SS..Hα-helixtrans-59.1-44.5176.900000112.3L557 S558 L559 E560 L565 Q566L557-A562 HydrophobicContact CD2-CB 3.72Å; L557-A562 HydrophobicContact CG-CB 4.21Å; S558-A562 PolarHBondContact O-N 3.15Å; L559-A562 PolarHBondContact O-N 2.94Å; E560-A562 VanDerWaalsContact C-N 3.33Å; E560-A562 PolarHBondContact O-N 3.06Å; A562-L565 PolarHBondContact O-N 3.45Å; A562-Q566 WeakPolarHBondContact O-CB 3.42Å; A562-Q566 PolarHBondContact O-N 3.39Å
563N93.7Very high89.8Confident54 Ų5454.6 Ų54.629%0.28927%0.27SS..Hα-helixtrans-63.9-40.2176.6-72.2-25000112.1L559 E560 A561 Q566 R567L559-N563 VanDerWaalsContact O-CG 3.27Å; L559-N563 PolarHBondContact O-N 3.1Å; L559-N563 PolarHBondContact O-ND2 3.39Å; E560-N563 PolarHBondContact O-N 3.19Å; A561-N563 PolarHBondContact O-N 2.94Å; N563-Q566 PolarHBondContact O-N 3.17Å; N563-R567 WeakPolarHBondContact O-CG 3.4Å; N563-R567 PolarHBondContact O-N 2.86Å
564L92.2Very high89.6Confident15 Ų1556.5 Ų56.58%0.07929%0.285CS..Hα-helixtrans-64.1-47.4176.5-17865.1000111.4E560 A561 Q566 R567 Y568 I617 A620 I621 I624 L682E560-L564 PolarHBondContact O-N 3.25Å; A561-L564 PolarHBondContact O-N 2.9Å; L564-Q566 VanDerWaalsContact C-N 3.31Å; L564-Q566 PolarHBondContact O-N 3.22Å; L564-R567 PolarHBondContact O-N 3.47Å; L564-Y568 WeakPolarHBondContact O-CB 3.37Å; L564-Y568 PolarHBondContact O-N 3.07Å; L564-I617 HydrophobicContact CD2-CG2 3.68Å; L564-A620 HydrophobicContact CD2-CB 4.22Å; L564-I621 HydrophobicContact CD2-CD1 4.49Å; L564-I621 HydrophobicContact CD2-CG1 3.72Å; L564-I624 HydrophobicContact CD2-CD1 4Å; L564-I624 HydrophobicContact CG-CD1 3.92Å; L564-L682 HydrophobicContact CD1-CD1 3.63Å
565L92.4Very high89Confident1 Ų154.6 Ų54.61%0.00527%0.271CS..Hα-helixtrans-61.6-39.9177.5-68.2-178.7000111.8L557 A561 A562 Y568 Y569 L596 L599 V600 A620 I624L557-L565 HydrophobicContact CD1-CD1 4.34Å; A561-L565 VanDerWaalsContact O-CG 3.31Å; A561-L565 WeakPolarHBondContact O-CG 3.45Å; A561-L565 PolarHBondContact O-N 3.47Å; A562-L565 PolarHBondContact O-N 3.45Å; L565-Y568 PolarHBondContact O-N 3.49Å; L565-Y569 VanDerWaalsContact O-CB 3.31Å; L565-Y569 WeakPolarHBondContact O-CB 3.35Å; L565-Y569 PolarHBondContact O-N 2.98Å; L565-L596 HydrophobicContact CB-CD1 4.27Å; L565-L599 HydrophobicContact CD1-CB 4.4Å; L565-L599 HydrophobicContact CD2-CB 3.99Å; L565-L599 HydrophobicContact CD2-CD1 4.38Å; L565-L599 HydrophobicContact CD2-CD2 4.31Å; L565-L599 HydrophobicContact CD2-CG 4.47Å; L565-V600 HydrophobicContact CD1-CG2 4.01Å; L565-A620 HydrophobicContact CD2-CB 4.02Å; L565-A620 HydrophobicContact CG-CB 4.24Å; L565-I624 HydrophobicContact CD2-CD1 4.18Å; L565-I624 HydrophobicContact CD2-CG1 4.11Å
566Q92Very high87.8Confident113 Ų11357.9 Ų57.953%0.52829%0.287SS..Hα-helixtrans-61.2-48.5174.7-174.7-170.534.600111.3A562 N563 L564 Y568 Y569 V570A562-Q566 WeakPolarHBondContact O-CB 3.42Å; A562-Q566 PolarHBondContact O-N 3.39Å; N563-Q566 PolarHBondContact O-N 3.17Å; L564-Q566 VanDerWaalsContact C-N 3.31Å; L564-Q566 PolarHBondContact O-N 3.22Å; Q566-Y568 PolarHBondContact O-N 2.96Å; Q566-Y569 PolarHBondContact O-N 2.87Å; Q566-V570 WeakPolarHBondContact O-CG2 3.47Å; Q566-V570 PolarHBondContact O-N 2.98Å
567R91.1Very high86.4Confident126 Ų12655.7 Ų55.748%0.47529%0.285SS..Hα-helixtrans-60.3-46.1178-75177.4-178.3178.21.8111.7N563 L564 Y569 V570 W571N563-R567 WeakPolarHBondContact O-CG 3.4Å; N563-R567 PolarHBondContact O-N 2.86Å; L564-R567 PolarHBondContact O-N 3.47Å; R567-Y569 PolarHBondContact O-N 2.52Å; R567-V570 PolarHBondContact O-N 3.38Å; R567-W571 WeakPolarHBondContact O-CB 3.44Å; R567-W571 PolarHBondContact O-N 3.38Å
568Y89.9Confident84.9Confident1 Ų158.9 Ų58.90%0.00430%0.302CS..Hα-helixtrans-61.7-42.6176.9172.2-99.9000112L564 L565 Q566 V570 W571 Q572 L599 I624 D628 L682L564-Y568 WeakPolarHBondContact O-CB 3.37Å; L564-Y568 PolarHBondContact O-N 3.07Å; L565-Y568 PolarHBondContact O-N 3.49Å; Q566-Y568 PolarHBondContact O-N 2.96Å; Y568-V570 PolarHBondContact O-N 3.19Å; Y568-W571 HydrophobicContact CD2-CE3 4.19Å; Y568-W571 HydrophobicContact CE2-CE3 4.13Å; Y568-W571 HydrophobicContact CE2-CZ3 4.1Å; Y568-W571 WeakPolarHBondContact O-CB 3.3Å; Y568-W571 PolarHBondContact O-N 2.87Å; Y568-Q572 WeakPolarHBondContact O-CB 3.49Å; Y568-Q572 PolarHBondContact O-N 3Å; Y568-L599 HydrophobicContact CD1-CD1 3.61Å; Y568-L599 HydrophobicContact CD1-CD2 4.35Å; Y568-L599 HydrophobicContact CE1-CD1 3.8Å; Y568-L599 HydrophobicContact CE1-CD2 4.09Å; Y568-I624 HydrophobicContact CD1-CG1 3.99Å; Y568-I624 HydrophobicContact CD1-CG2 4.5Å; Y568-I624 HydrophobicContact CD2-CD1 4.49Å; Y568-I624 HydrophobicContact CD2-CG1 4.3Å; Y568-I624 HydrophobicContact CD2-CG2 3.55Å; Y568-I624 HydrophobicContact CE1-CG1 4.4Å; Y568-I624 HydrophobicContact CE1-CG2 4.45Å; Y568-I624 HydrophobicContact CE2-CG2 3.51Å; Y568-I624 HydrophobicContact CG-CD1 4.08Å; Y568-I624 HydrophobicContact CG-CG1 3.93Å; Y568-I624 HydrophobicContact CG-CG2 4.07Å; Y568-D628 WeakPolarHBondContact CE2-OD1 3.27Å; Y568-D628 VanDerWaalsContact OH-CG 3.32Å; Y568-D628 PolarHBondContact OH-OD1 3.28Å; Y568-L682 HydrophobicContact CD2-CD2 4.39Å
569Y89.3Confident83.1Confident25 Ų2561.9 Ų61.910%0.09831%0.312CS..Hα-helixtrans-61-46.1176.1171.6-102.6000112.8L565 Q566 R567 W571 Q572 R573 T592 L593 L595 L596L565-Y569 VanDerWaalsContact O-CB 3.31Å; L565-Y569 WeakPolarHBondContact O-CB 3.35Å; L565-Y569 PolarHBondContact O-N 2.98Å; Q566-Y569 PolarHBondContact O-N 2.87Å; R567-Y569 PolarHBondContact O-N 2.52Å; Y569-W571 VanDerWaalsContact C-N 3.35Å; Y569-Q572 PolarHBondContact O-N 2.85Å; Y569-R573 HydrophobicContact CE1-CG 4.48Å; Y569-R573 HydrophobicContact CE2-CG 4.26Å; Y569-R573 PolarHBondContact O-N 2.88Å; Y569-R573 PolarHBondContact OH-NE 2.85Å; Y569-R573 VanDerWaalsContact OH-NE 3.1Å; Y569-R573 PolarHBondContact OH-NH1 3.1Å; Y569-R573 PolarHBondContact OH-NH2 2.67Å; Y569-T592 WeakPolarHBondContact CE2-O 3.41Å; Y569-L593 WeakPolarHBondContact OH-CA 3.43Å; Y569-L595 HydrophobicContact CD2-CD2 4.48Å; Y569-L596 HydrophobicContact CD2-CB 3.92Å; Y569-L596 HydrophobicContact CE2-CB 4.22Å; Y569-L596 HydrophobicContact CG-CB 4.21Å; Y569-L596 HydrophobicContact CG-CD1 4.46Å
570V88.9Confident81.1Confident87 Ų8759.9 Ų59.953%0.52731%0.308SS..Hα-helixtrans-62.8-44.2177.11730000110.5Q566 R567 Y568 Q572 R573 S574Q566-V570 WeakPolarHBondContact O-CG2 3.47Å; Q566-V570 PolarHBondContact O-N 2.98Å; R567-V570 PolarHBondContact O-N 3.38Å; Y568-V570 PolarHBondContact O-N 3.19Å; V570-Q572 PolarHBondContact O-N 2.89Å; V570-R573 PolarHBondContact O-N 3.49Å; V570-S574 PolarHBondContact O-N 3.03Å
571W85.9Confident78.9Confident28 Ų2862.4 Ų62.411%0.10633%0.325CS..Hα-helixtrans-58.4-46.1175.1177.193.8000111.6R567 Y568 Y569 R573 S574 Q575 T681 L682 N685R567-W571 WeakPolarHBondContact O-CB 3.44Å; R567-W571 PolarHBondContact O-N 3.38Å; Y568-W571 HydrophobicContact CD2-CE3 4.19Å; Y568-W571 HydrophobicContact CE2-CE3 4.13Å; Y568-W571 HydrophobicContact CE2-CZ3 4.1Å; Y568-W571 WeakPolarHBondContact O-CB 3.3Å; Y568-W571 PolarHBondContact O-N 2.87Å; Y569-W571 VanDerWaalsContact C-N 3.35Å; W571-R573 VanDerWaalsContact C-N 3.27Å; W571-R573 PolarHBondContact O-N 3.37Å; W571-S574 PolarHBondContact O-N 2.95Å; W571-S574 VanDerWaalsContact O-N 3.15Å; W571-S574 PolarHBondContact O-OG 2.74Å; W571-Q575 HydrophobicContact CD2-CG 4.25Å; W571-Q575 HydrophobicContact CE3-CG 4.46Å; W571-Q575 HydrophobicContact CH2-CG 4.31Å; W571-Q575 HydrophobicContact CZ2-CG 4.1Å; W571-Q575 WeakPolarHBondContact O-CG 3.26Å; W571-Q575 PolarHBondContact O-N 3.15Å; W571-T681 PolarHBondContact NE1-O 3.45Å; W571-L682 HydrophobicContact CB-CD2 4.03Å; W571-L682 HydrophobicContact CD2-CD2 4.42Å; W571-L682 HydrophobicContact CG-CD2 4.05Å; W571-N685 PolarHBondContact NE1-ND2 3.01Å
572Q83.8Confident76.7Confident14 Ų1468 Ų687%0.06536%0.355CS..Hα-helixtrans-65.5-33.1-179.1-170.560.4-1.900112.4Y568 Y569 V570 R591 L595Y568-Q572 WeakPolarHBondContact O-CB 3.49Å; Y568-Q572 PolarHBondContact O-N 3Å; Y569-Q572 PolarHBondContact O-N 2.85Å; V570-Q572 PolarHBondContact O-N 2.89Å; Q572-R591 HydrophobicContact CG-CG 4.21Å; Q572-R591 WeakPolarHBondContact O-CD 3.39Å; Q572-R591 PolarHBondContact O-NH1 3.13Å; Q572-L595 HydrophobicContact CB-CD2 4.44Å; Q572-L595 HydrophobicContact CG-CD2 3.89Å
573R82.2Confident74.6Confident113 Ų11371.9 Ų71.943%0.42638%0.38SS..Hα-helixtrans-71.4-39.6171.7-78.1-139.7162.6170.1-1.9113.2Y569 V570 W571 Q575 M576 R591Y569-R573 HydrophobicContact CE1-CG 4.48Å; Y569-R573 HydrophobicContact CE2-CG 4.26Å; Y569-R573 PolarHBondContact O-N 2.88Å; Y569-R573 PolarHBondContact OH-NE 2.85Å; Y569-R573 VanDerWaalsContact OH-NE 3.1Å; Y569-R573 PolarHBondContact OH-NH1 3.1Å; Y569-R573 PolarHBondContact OH-NH2 2.67Å; V570-R573 PolarHBondContact O-N 3.49Å; W571-R573 VanDerWaalsContact C-N 3.27Å; W571-R573 PolarHBondContact O-N 3.37Å; R573-Q575 VanDerWaalsContact C-N 3.3Å; R573-Q575 PolarHBondContact O-N 3.5Å; R573-M576 WeakPolarHBondContact O-CB 3.46Å; R573-M576 PolarHBondContact O-N 3.37Å; R573-R591 PolarHBondContact NE-O 3.39Å; R573-R591 PolarHBondContact NH2-O 2.93Å
574S80.4Confident72.7Confident54 Ų5471.4 Ų71.438%0.37838%0.377SS..Hα-helixtrans-67-32.9176.868.80000112V570 W571 M576 S577V570-S574 PolarHBondContact O-N 3.03Å; W571-S574 PolarHBondContact O-N 2.95Å; W571-S574 VanDerWaalsContact O-N 3.15Å; W571-S574 PolarHBondContact O-OG 2.74Å; S574-M576 PolarHBondContact O-N 3.44Å; S574-S577 PolarHBondContact O-N 3.08Å; S574-S577 PolarHBondContact O-OG 3.38Å
575Q73Confident70.6Confident42 Ų4273.7 Ų73.720%0.19640%0.399CS..Hα-helixtrans-62.6-23.6171.9-64.6-61.9-9.800112.1W571 R573 N578 F579 N685W571-Q575 HydrophobicContact CD2-CG 4.25Å; W571-Q575 HydrophobicContact CE3-CG 4.46Å; W571-Q575 HydrophobicContact CH2-CG 4.31Å; W571-Q575 HydrophobicContact CZ2-CG 4.1Å; W571-Q575 WeakPolarHBondContact O-CG 3.26Å; W571-Q575 PolarHBondContact O-N 3.15Å; R573-Q575 VanDerWaalsContact C-N 3.3Å; R573-Q575 PolarHBondContact O-N 3.5Å; Q575-N578 PolarHBondContact O-N 2.8Å; Q575-F579 VanDerWaalsContact O-CD2 3.3Å; Q575-F579 WeakPolarHBondContact O-CD2 3.42Å; Q575-N685 PolarHBondContact NE2-ND2 3.42Å
576M66Low68.8Low70 Ų7074.5 Ų74.535%0.34541%0.407SS..Hα-helixtrans-70.3-34.8-178-158.217491.700112.8R573 S574 N578 F579 F588 R591R573-M576 WeakPolarHBondContact O-CB 3.46Å; R573-M576 PolarHBondContact O-N 3.37Å; S574-M576 PolarHBondContact O-N 3.44Å; M576-N578 PolarHBondContact O-N 3.19Å; M576-F579 PolarHBondContact O-N 3.08Å; M576-F588 HydrophobicContact CG-CD1 3.58Å; M576-F588 HydrophobicContact CG-CE1 3.99Å; M576-F588 HydrophobicContact SD-CD1 4.03Å; M576-R591 HydrophobicContact SD-CB 4.06Å
577S59.5Low67.1Low77 Ų7769.5 Ų69.554%0.53839%0.385SS..Hα-helixtrans-65.7-26.6179.957.70000112.5S574 C580S574-S577 PolarHBondContact O-N 3.08Å; S574-S577 PolarHBondContact O-OG 3.38Å; S577-C580 PolarHBondContact O-SG 2.89Å; S577-C580 VanDerWaalsContact O-SG 3.38Å
578N57.8Low65.4Low119 Ų11966 Ų6664%0.63637%0.373SS*.Hα-helixtrans-80.2-19-175.1-63.5-14.1000113.4Q575 M576Q575-N578 PolarHBondContact O-N 2.8Å; M576-N578 PolarHBondContact O-N 3.19Å
579F56.6Low64.2Low90 Ų9067.1 Ų67.140%0.39538%0.381SS..THydrogen-bonded Turntrans-104.915.3-175.8-74-79.7000113.9Q575 M576 N581 F588Q575-F579 VanDerWaalsContact O-CD2 3.3Å; Q575-F579 WeakPolarHBondContact O-CD2 3.42Å; M576-F579 PolarHBondContact O-N 3.08Å; F579-N581 PolarHBondContact O-N 3.31Å; F579-F588 HydrophobicContact CB-CE1 4.38Å; F579-F588 HydrophobicContact CB-CZ 4.38Å; F579-F588 WeakPolarHBondContact O-CZ 3.44Å
580C50.2Low63.4Low93 Ų9367.2 Ų67.263%0.62838%0.381SS*.THydrogen-bonded Turntrans-64.47.7-169.9590000117.1S577S577-C580 PolarHBondContact O-SG 2.89Å; S577-C580 VanDerWaalsContact O-SG 3.38Å
581N45.4Very low62.8Low156 Ų15664.6 Ų64.683%0.83436%0.362SS*.THydrogen-bonded Turntrans-113.6-1.1-173-69.9-9.2000115.5F579F579-N581 PolarHBondContact O-N 3.31Å
582D47.5Very low62.5Low116 Ų11665.2 Ų65.262%0.6237%0.369SS*.SBendtrans-135.4154.9-174.2-125.4-27.7000114.3L584D582-L584 PolarHBondContact O-N 3.31Å
583S49.5Very low62.6Low116 Ų11669.4 Ų69.481%0.81139%0.391SS*.SBendtrans-59.423.8-161.8-49.50000117.9A585S583-A585 PolarHBondContact O-N 2.95Å
584L52.8Low62.8Low44 Ų4467.5 Ų67.523%0.2338%0.384CS..  trans-7934.2-173.4-86.4138.6000115D582 G586 A587 F588D582-L584 PolarHBondContact O-N 3.31Å; L584-G586 PolarHBondContact O-N 3.32Å; L584-A587 HydrophobicContact CD2-CB 3.97Å; L584-A587 PolarHBondContact O-N 2.88Å; L584-F588 HydrophobicContact CB-CD2 4.02Å; L584-F588 HydrophobicContact CB-CE2 3.43Å; L584-F588 VanDerWaalsContact CB-CE2 3.43Å; L584-F588 HydrophobicContact CB-CZ 3.96Å; L584-F588 WeakPolarHBondContact O-CD2 3.5Å; L584-F588 WeakPolarHBondContact O-CE2 3.31Å; L584-F588 PolarHBondContact O-N 3.33Å
585A48.6Very low63.2Low63 Ų6365.5 Ų65.552%0.52137%0.369SS..Hα-helixtrans-48.9-35.6-173.800000114.1S583 S589S583-A585 PolarHBondContact O-N 2.95Å; A585-S589 PolarHBondContact O-N 3.48Å
586G54.2Low64.1Low18 Ų1865.8 Ų65.819%0.18637%0.371CS..Hα-helixtrans-68.6-40.6177.900000114.2L584L584-G586 PolarHBondContact O-N 3.32Å
587A55.4Low65.1Low7 Ų766 Ų666%0.05837%0.372CS..Hα-helixtrans-73.9-33.8-179.300000112.3L584 S589 R590L584-A587 HydrophobicContact CD2-CB 3.97Å; L584-A587 PolarHBondContact O-N 2.88Å; A587-S589 VanDerWaalsContact C-N 3.35Å; A587-R590 PolarHBondContact O-N 3.43Å
588F57.1Low66.7Low52 Ų5262.6 Ų62.623%0.22835%0.348CS..Hα-helixtrans-63.2-39.8176-65.2-63.2000112.3M576 F579 L584 R590 R591M576-F588 HydrophobicContact CG-CD1 3.58Å; M576-F588 HydrophobicContact CG-CE1 3.99Å; M576-F588 HydrophobicContact SD-CD1 4.03Å; F579-F588 HydrophobicContact CB-CE1 4.38Å; F579-F588 HydrophobicContact CB-CZ 4.38Å; F579-F588 WeakPolarHBondContact O-CZ 3.44Å; L584-F588 HydrophobicContact CB-CD2 4.02Å; L584-F588 HydrophobicContact CB-CE2 3.43Å; L584-F588 VanDerWaalsContact CB-CE2 3.43Å; L584-F588 HydrophobicContact CB-CZ 3.96Å; L584-F588 WeakPolarHBondContact O-CD2 3.5Å; L584-F588 WeakPolarHBondContact O-CE2 3.31Å; L584-F588 PolarHBondContact O-N 3.33Å; F588-R590 PolarHBondContact O-N 3.2Å; F588-R590 VanDerWaalsContact O-N 3.1Å; F588-R591 PolarHBondContact O-N 2.96Å
589S63.5Low68.4Low25 Ų2557 Ų5718%0.17532%0.318CS..Hα-helixtrans-60.4-24.5-177.9-168.50000113.6T487 A585 A587 T592T487-S589 PolarHBondContact O-OG 2.68Å; A585-S589 PolarHBondContact O-N 3.48Å; A587-S589 VanDerWaalsContact C-N 3.35Å; S589-T592 WeakPolarHBondContact O-CG2 3.22Å
590R73.1Confident70.1Confident27 Ų2753.9 Ų53.910%0.10231%0.306CS..THydrogen-bonded Turntrans-87.9-15.6-173.6-64.1-178.2-60.2171.33.5114.6A587 F588 T592 L631 T634A587-R590 PolarHBondContact O-N 3.43Å; F588-R590 PolarHBondContact O-N 3.2Å; F588-R590 VanDerWaalsContact O-N 3.1Å; R590-T592 PolarHBondContact O-N 3Å; R590-T592 VanDerWaalsContact O-N 3.08Å; R590-L631 HydrophobicContact CB-CD2 4.26Å; R590-L631 VanDerWaalsContact CZ-CD2 3.49Å; R590-L631 PolarHBondContact NH2-O 3.28Å; R590-T634 PolarHBondContact NH1-OG1 2.82Å; R590-T634 PolarHBondContact NH2-OG1 3.14Å
591R76.2Confident72.1Confident33 Ų3350 Ų5013%0.12528%0.278CS..SBendtrans-87.338.2-178.6-53.6-175.5-150.9-1798112.5Q572 R573 M576 F588Q572-R591 HydrophobicContact CG-CG 4.21Å; Q572-R591 WeakPolarHBondContact O-CD 3.39Å; Q572-R591 PolarHBondContact O-NH1 3.13Å; R573-R591 PolarHBondContact NE-O 3.39Å; R573-R591 PolarHBondContact NH2-O 2.93Å; M576-R591 HydrophobicContact SD-CB 4.06Å; F588-R591 PolarHBondContact O-N 2.96Å
592T80.3Confident74.4Confident40 Ų4042.7 Ų42.725%0.24524%0.239CC..SBendtrans-87.3174.6179.258.30000111.2S491 Y569 S589 R590 R594 L595S491-T592 PolarHBondContact OG-OG1 3.01Å; Y569-T592 WeakPolarHBondContact CE2-O 3.41Å; S589-T592 WeakPolarHBondContact O-CG2 3.22Å; R590-T592 PolarHBondContact O-N 3Å; R590-T592 VanDerWaalsContact O-N 3.08Å; T592-R594 PolarHBondContact O-N 3.43Å; T592-R594 VanDerWaalsContact O-N 3.13Å; T592-L595 VanDerWaalsContact O-CB 3.29Å; T592-L595 WeakPolarHBondContact O-CB 3.4Å; T592-L595 PolarHBondContact O-N 3.33Å
593L85.2Confident76.7Confident102 Ų10237.1 Ų37.153%0.53421%0.21SC..Hα-helixtrans-54.8-27.7172.7-173.369.9000112Y569 L595 L596 E597Y569-L593 WeakPolarHBondContact OH-CA 3.43Å; L593-L595 PolarHBondContact O-N 3.45Å; L593-L596 WeakPolarHBondContact O-CB 3.41Å; L593-L596 PolarHBondContact O-N 2.96Å; L593-E597 PolarHBondContact O-N 2.8Å
594R86.2Confident78.8Confident74 Ų7432.4 Ų32.428%0.27918%0.175SC..Hα-helixtrans-56.8-31.8175.1-62.3-168.9179.7105.11.7112.9E444 S491 R492 T592 L596 E597 S598E444-R594 IonicContact OE1-CZ 3.37Å; E444-R594 IonicContact OE1-NE 2.76Å; E444-R594 IonicContact OE1-NH2 3.27Å; E444-R594 PolarHBondContact OE1-NH2 3.4Å; E444-R594 IonicContact OE2-NE 3.78Å; E444-R594 IonicContact OE2-NH2 2.83Å; S491-R594 PolarHBondContact OG-NH1 3.29Å; R492-R594 VanDerWaalsContact NE-CZ 3.34Å; T592-R594 PolarHBondContact O-N 3.43Å; T592-R594 VanDerWaalsContact O-N 3.13Å; R594-L596 VanDerWaalsContact C-N 3.29Å; R594-L596 PolarHBondContact O-N 3.39Å; R594-E597 WeakPolarHBondContact O-CB 3.4Å; R594-E597 PolarHBondContact O-N 3.45Å; R594-E597 VanDerWaalsContact O-N 3.16Å; R594-S598 PolarHBondContact O-N 3.07Å; R594-S598 PolarHBondContact O-OG 3.48Å
595L89.2Confident80.7Confident12 Ų1230.3 Ų30.36%0.06316%0.164CC..Hα-helixtrans-57.8-42.7175.4-17964.9000111.7Y569 Q572 T592 L593 E597 S598 L599 V627Y569-L595 HydrophobicContact CD2-CD2 4.48Å; Q572-L595 HydrophobicContact CB-CD2 4.44Å; Q572-L595 HydrophobicContact CG-CD2 3.89Å; T592-L595 VanDerWaalsContact O-CB 3.29Å; T592-L595 WeakPolarHBondContact O-CB 3.4Å; T592-L595 PolarHBondContact O-N 3.33Å; L593-L595 PolarHBondContact O-N 3.45Å; L595-E597 VanDerWaalsContact C-N 3.34Å; L595-S598 WeakPolarHBondContact O-CB 3.27Å; L595-S598 PolarHBondContact O-N 3.35Å; L595-L599 HydrophobicContact CG-CD1 4.35Å; L595-L599 VanDerWaalsContact O-CG 3.29Å; L595-L599 WeakPolarHBondContact O-CG 3.34Å; L595-L599 PolarHBondContact O-N 3.48Å; L595-V627 HydrophobicContact CD1-CG1 3.83Å
596L90.9Very high82.9Confident47 Ų4727.3 Ų27.325%0.24614%0.139CC..Hα-helixtrans-65.5-40.8178.3-177.863.9000111L565 Y569 L593 R594 L599 V600L565-L596 HydrophobicContact CB-CD1 4.27Å; Y569-L596 HydrophobicContact CD2-CB 3.92Å; Y569-L596 HydrophobicContact CE2-CB 4.22Å; Y569-L596 HydrophobicContact CG-CB 4.21Å; Y569-L596 HydrophobicContact CG-CD1 4.46Å; L593-L596 WeakPolarHBondContact O-CB 3.41Å; L593-L596 PolarHBondContact O-N 2.96Å; R594-L596 VanDerWaalsContact C-N 3.29Å; R594-L596 PolarHBondContact O-N 3.39Å; L596-L599 PolarHBondContact O-N 3.39Å; L596-V600 WeakPolarHBondContact O-CG2 3.49Å; L596-V600 PolarHBondContact O-N 3.38Å
597E88.9Confident84.7Confident75 Ų7526.5 Ų26.535%0.3513%0.13SC..Hα-helixtrans-63.1-43174.5-60.6-179.4179.300111.9L593 R594 L595 L599 V600 R601L593-E597 PolarHBondContact O-N 2.8Å; R594-E597 WeakPolarHBondContact O-CB 3.4Å; R594-E597 PolarHBondContact O-N 3.45Å; R594-E597 VanDerWaalsContact O-N 3.16Å; L595-E597 VanDerWaalsContact C-N 3.34Å; E597-L599 PolarHBondContact O-N 3.27Å; E597-V600 PolarHBondContact O-N 3.18Å; E597-R601 VanDerWaalsContact O-CG 3.28Å; E597-R601 WeakPolarHBondContact O-CG 3.38Å; E597-R601 PolarHBondContact O-N 3Å; E597-R601 IonicContact OE2-CZ 3.04Å; E597-R601 IonicContact OE2-NH1 2.97Å; E597-R601 IonicContact OE2-NH2 3.16Å; E597-R601 PolarHBondContact OE2-NH2 3.41Å
598S91.1Very high86.4Confident6 Ų626.9 Ų26.94%0.04213%0.13CC..Hα-helixtrans-59.4-44.9175.4-57.10000111.6D494 R594 L595 R601 L602D494-S598 VanDerWaalsContact OD1-CB 3.23Å; D494-S598 WeakPolarHBondContact OD1-CB 3.43Å; D494-S598 PolarHBondContact OD1-OG 2.96Å; R594-S598 PolarHBondContact O-N 3.07Å; R594-S598 PolarHBondContact O-OG 3.48Å; L595-S598 WeakPolarHBondContact O-CB 3.27Å; L595-S598 PolarHBondContact O-N 3.35Å; S598-R601 PolarHBondContact O-N 3.35Å; S598-L602 WeakPolarHBondContact O-CB 3.26Å; S598-L602 VanDerWaalsContact O-CG 3.29Å; S598-L602 WeakPolarHBondContact O-CG 3.46Å; S598-L602 PolarHBondContact O-N 2.99Å
599L93.5Very high88.1Confident0 Ų024.5 Ų24.50%012%0.12CC..Hα-helixtrans-58.3-50.1175.6-73.3166.5000111L565 Y568 L595 L596 E597 R601 L602 T603 V623 I624 V627L565-L599 HydrophobicContact CD1-CB 4.4Å; L565-L599 HydrophobicContact CD2-CB 3.99Å; L565-L599 HydrophobicContact CD2-CD1 4.38Å; L565-L599 HydrophobicContact CD2-CD2 4.31Å; L565-L599 HydrophobicContact CD2-CG 4.47Å; Y568-L599 HydrophobicContact CD1-CD1 3.61Å; Y568-L599 HydrophobicContact CD1-CD2 4.35Å; Y568-L599 HydrophobicContact CE1-CD1 3.8Å; Y568-L599 HydrophobicContact CE1-CD2 4.09Å; L595-L599 HydrophobicContact CG-CD1 4.35Å; L595-L599 VanDerWaalsContact O-CG 3.29Å; L595-L599 WeakPolarHBondContact O-CG 3.34Å; L595-L599 PolarHBondContact O-N 3.48Å; L596-L599 PolarHBondContact O-N 3.39Å; E597-L599 PolarHBondContact O-N 3.27Å; L599-R601 VanDerWaalsContact C-N 3.35Å; L599-R601 PolarHBondContact O-N 3.3Å; L599-L602 PolarHBondContact O-N 2.89Å; L599-T603 WeakPolarHBondContact O-CB 3.37Å; L599-T603 PolarHBondContact O-N 3.4Å; L599-T603 PolarHBondContact O-OG1 3.2Å; L599-V623 HydrophobicContact CD2-CG1 3.94Å; L599-I624 HydrophobicContact CD2-CG1 4.47Å; L599-V627 HydrophobicContact CD2-CB 4.18Å; L599-V627 HydrophobicContact CD2-CG1 4.37Å; L599-V627 HydrophobicContact CD2-CG2 3.8Å
600V92.9Very high89.4Confident25 Ų2523.6 Ų23.615%0.15211%0.113CC..Hα-helixtrans-60.9-42.8178.7173.10000111.6L557 L565 L596 E597 K604L557-V600 HydrophobicContact CD2-CG1 4.4Å; L557-V600 HydrophobicContact CD2-CG2 4.18Å; L565-V600 HydrophobicContact CD1-CG2 4.01Å; L596-V600 WeakPolarHBondContact O-CG2 3.49Å; L596-V600 PolarHBondContact O-N 3.38Å; E597-V600 PolarHBondContact O-N 3.18Å; V600-K604 HydrophobicContact CG1-CD 4.29Å; V600-K604 WeakPolarHBondContact O-CB 3.45Å; V600-K604 WeakPolarHBondContact O-CG 3.38Å; V600-K604 PolarHBondContact O-N 3.43Å
601R92.5Very high90.1Very high12 Ų1223.4 Ų23.45%0.04512%0.115CC..Hα-helixtrans-60.9-48.8176.1-71.5170.8-168.1127.210.1111.4A334 W337 R355 D494 E597 S598 L599 K604 A605A334-R601 HydrophobicContact CB-CB 4.37Å; W337-R601 HydrophobicContact CH2-CG 3.9Å; W337-R601 HydrophobicContact CZ3-CG 4.14Å; R355-R601 PolarHBondContact O-NE 3.38Å; D494-R601 IonicContact OD1-NH1 2.69Å; D494-R601 PolarHBondContact OD1-NH1 3.36Å; E597-R601 VanDerWaalsContact O-CG 3.28Å; E597-R601 WeakPolarHBondContact O-CG 3.38Å; E597-R601 PolarHBondContact O-N 3Å; E597-R601 IonicContact OE2-CZ 3.04Å; E597-R601 IonicContact OE2-NH1 2.97Å; E597-R601 IonicContact OE2-NH2 3.16Å; E597-R601 PolarHBondContact OE2-NH2 3.41Å; S598-R601 PolarHBondContact O-N 3.35Å; L599-R601 VanDerWaalsContact C-N 3.35Å; L599-R601 PolarHBondContact O-N 3.3Å; R601-K604 PolarHBondContact O-N 3.1Å; R601-A605 WeakPolarHBondContact O-CB 3.36Å; R601-A605 PolarHBondContact O-N 3.43Å
602L94.3Very high90.7Very high2 Ų224.1 Ų24.11%0.0112%0.118CC..Hα-helixtrans-66.9-39.4-178.5-70.8171.8000112.1L329 P358 L495 S598 L599 A605 H606 V623 V627L329-L602 HydrophobicContact CB-CD2 4.34Å; L329-L602 HydrophobicContact CD1-CD2 4.23Å; P358-L602 HydrophobicContact CB-CD2 4.18Å; L495-L602 HydrophobicContact CD1-CD1 4.08Å; L495-L602 HydrophobicContact CD1-CD2 3.98Å; L495-L602 HydrophobicContact CD2-CD1 3.81Å; L495-L602 HydrophobicContact CG-CD1 3.96Å; S598-L602 WeakPolarHBondContact O-CB 3.26Å; S598-L602 VanDerWaalsContact O-CG 3.29Å; S598-L602 WeakPolarHBondContact O-CG 3.46Å; S598-L602 PolarHBondContact O-N 2.99Å; L599-L602 PolarHBondContact O-N 2.89Å; L602-A605 PolarHBondContact O-N 3.36Å; L602-H606 WeakPolarHBondContact O-CB 3.23Å; L602-H606 PolarHBondContact O-N 3.5Å; L602-V623 HydrophobicContact CB-CB 4.49Å; L602-V623 HydrophobicContact CB-CG1 3.57Å; L602-V623 HydrophobicContact CB-CG2 4.04Å; L602-V623 HydrophobicContact CD1-CG1 4.28Å; L602-V627 HydrophobicContact CD1-CG2 3.93Å
603T94.9Very high91.2Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-64.6-43.2176.2-55.90000111.1L557 L599 H606 A607 A615 D619 A620L557-T603 HydrophobicContact CD1-CG2 4.33Å; L599-T603 WeakPolarHBondContact O-CB 3.37Å; L599-T603 PolarHBondContact O-N 3.4Å; L599-T603 PolarHBondContact O-OG1 3.2Å; T603-H606 PolarHBondContact O-N 3.49Å; T603-A607 PolarHBondContact O-N 3.35Å; T603-A615 HydrophobicContact CG2-CB 4.06Å; T603-D619 HydrophobicContact CG2-CB 4Å; T603-A620 HydrophobicContact CG2-CB 4.07Å
604K93.6Very high91.5Very high17 Ų1728.8 Ų28.87%0.07414%0.138CC..Hα-helixtrans-62.1-43.8172.4-74.7-179.7177.9-176.90111.8A334 P555 V600 R601 H606 A607 R608A334-K604 HydrophobicContact CB-CB 4.03Å; P555-K604 HydrophobicContact CG-CB 4.08Å; P555-K604 HydrophobicContact CG-CG 4.45Å; P555-K604 VanDerWaalsContact CG-O 3.28Å; P555-K604 WeakPolarHBondContact CG-O 3.3Å; V600-K604 HydrophobicContact CG1-CD 4.29Å; V600-K604 WeakPolarHBondContact O-CB 3.45Å; V600-K604 WeakPolarHBondContact O-CG 3.38Å; V600-K604 PolarHBondContact O-N 3.43Å; R601-K604 PolarHBondContact O-N 3.1Å; K604-H606 VanDerWaalsContact C-N 3.29Å; K604-H606 PolarHBondContact O-N 3.49Å; K604-A607 PolarHBondContact O-N 3.41Å; K604-R608 WeakPolarHBondContact O-CB 3.27Å; K604-R608 PolarHBondContact O-N 3.34Å
605A93.4Very high91.8Very high0 Ų025.3 Ų25.30%012%0.124CC..Hα-helixtrans-63.3-35.1177.900000112.5L329 R601 L602 L609L329-A605 HydrophobicContact CB-CB 4.4Å; L329-A605 HydrophobicContact CD2-CB 4.4Å; R601-A605 WeakPolarHBondContact O-CB 3.36Å; R601-A605 PolarHBondContact O-N 3.43Å; L602-A605 PolarHBondContact O-N 3.36Å; A605-L609 WeakPolarHBondContact O-CB 3.33Å; A605-L609 PolarHBondContact O-N 3.49Å
606H93.8Very high91.9Very high0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-71-46.5177.1178.9-87.7000112L329 L602 T603 K604 R608 L609 M610 D619 V623L329-H606 HydrophobicContact CD2-CB 3.55Å; L602-H606 WeakPolarHBondContact O-CB 3.23Å; L602-H606 PolarHBondContact O-N 3.5Å; T603-H606 PolarHBondContact O-N 3.49Å; K604-H606 VanDerWaalsContact C-N 3.29Å; K604-H606 PolarHBondContact O-N 3.49Å; H606-R608 PolarHBondContact O-N 2.84Å; H606-L609 WeakPolarHBondContact O-CB 3.04Å; H606-L609 PolarHBondContact O-N 3.41Å; H606-M610 WeakPolarHBondContact O-CG 3.48Å; H606-M610 PolarHBondContact O-N 3.33Å; H606-D619 IonicContact CE1-OD1 2.72Å; H606-D619 PolarHBondContact CE1-OD1 2.79Å; H606-D619 VanDerWaalsContact ND1-CB 3.33Å; H606-D619 WeakPolarHBondContact ND1-CB 3.39Å; H606-D619 IonicContact ND1-OD1 2.82Å; H606-D619 PolarHBondContact ND1-OD1 2.81Å; H606-V623 HydrophobicContact CB-CG2 4.24Å
607A92.7Very high92.1Very high0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-57.9-41173.200000111.4P555 T603 K604 M610 C611 R612 A615P555-A607 HydrophobicContact CB-CB 4.08Å; P555-A607 HydrophobicContact CG-CB 4.45Å; T603-A607 PolarHBondContact O-N 3.35Å; K604-A607 PolarHBondContact O-N 3.41Å; A607-M610 CarbonylContact O-C 3.57Å; A607-M610 PolarHBondContact O-N 2.67Å; A607-C611 PolarHBondContact O-N 3.37Å; A607-R612 HydrophobicContact CB-CB 4.35Å; A607-R612 WeakPolarHBondContact O-CB 3.21Å; A607-R612 PolarHBondContact O-N 2.8Å; A607-A615 HydrophobicContact CB-CB 3.9Å
608R91.8Very high92.2Very high15 Ų1526.5 Ų26.56%0.05713%0.132CC..Hα-helixtrans-64.2-43.4176.2-176.6177.5-150.9178.216.2112.5A332 S333 I549 R550 F553 P555 K604 H606 M610 C611A332-R608 PolarHBondContact O-NH1 3.32Å; S333-R608 WeakPolarHBondContact O-CD 3.02Å; S333-R608 PolarHBondContact O-NH1 3.42Å; I549-R608 HydrophobicContact CG2-CB 4.31Å; I549-R608 HydrophobicContact CG2-CG 3.14Å; I549-R608 WeakPolarHBondContact CG2-O 3.4Å; I549-R608 PolarHBondContact O-NE 3.49Å; R550-R608 VanDerWaalsContact C-NH2 3.29Å; R550-R608 PolarHBondContact O-NH2 3.46Å; F553-R608 HydrophobicContact CB-CG 4.24Å; F553-R608 PolarHBondContact O-NE 3.19Å; F553-R608 VanDerWaalsContact O-NE 3.15Å; F553-R608 PolarHBondContact O-NH2 3.05Å; P555-R608 HydrophobicContact CG-CB 4.04Å; K604-R608 WeakPolarHBondContact O-CB 3.27Å; K604-R608 PolarHBondContact O-N 3.34Å; H606-R608 PolarHBondContact O-N 2.84Å; R608-M610 PolarHBondContact O-N 3.4Å; R608-C611 PolarHBondContact O-N 2.91Å
609L92.1Very high92.3Very high2 Ų226.2 Ų26.21%0.0113%0.13CC..Hα-helixtrans-58.4-31.1175-178.767.8000112.4W293 R306 A328 L329 A332 Y545 F546 A605 H606W293-L609 WeakPolarHBondContact CZ2-O 3.5Å; R306-L609 HydrophobicContact CG-CD2 4.12Å; A328-L609 HydrophobicContact CB-CD1 4.43Å; A328-L609 HydrophobicContact CB-CD2 4.05Å; L329-L609 HydrophobicContact CD2-CD2 4.29Å; A332-L609 HydrophobicContact CB-CB 4.19Å; A332-L609 HydrophobicContact CB-CD1 4.43Å; Y545-L609 HydrophobicContact CE1-CD1 4.41Å; Y545-L609 PolarHBondContact OH-O 3.26Å; F546-L609 HydrophobicContact CE1-CD1 4.09Å; A605-L609 WeakPolarHBondContact O-CB 3.33Å; A605-L609 PolarHBondContact O-N 3.49Å; H606-L609 WeakPolarHBondContact O-CB 3.04Å; H606-L609 PolarHBondContact O-N 3.41Å
610M90.3Very high92.3Very high7 Ų726.2 Ų26.23%0.03413%0.13CC..THydrogen-bonded Turntrans-91.38.4177.6-61.5-66.7-154.200113.8W293 A302 L303 R306 H606 A607 R608 R612W293-M610 HydrophobicContact CH2-SD 3.57Å; W293-M610 VanDerWaalsContact CH2-SD 3.57Å; W293-M610 HydrophobicContact CZ3-SD 3.88Å; A302-M610 HydrophobicContact CB-SD 4.17Å; L303-M610 HydrophobicContact CD2-CE 3.83Å; R306-M610 HydrophobicContact CB-CE 3.46Å; R306-M610 VanDerWaalsContact CB-CE 3.46Å; R306-M610 HydrophobicContact CB-SD 3.75Å; R306-M610 HydrophobicContact CG-CE 3.96Å; R306-M610 HydrophobicContact CG-SD 4.44Å; H606-M610 WeakPolarHBondContact O-CG 3.48Å; H606-M610 PolarHBondContact O-N 3.33Å; A607-M610 CarbonylContact O-C 3.57Å; A607-M610 PolarHBondContact O-N 2.67Å; R608-M610 PolarHBondContact O-N 3.4Å; M610-R612 VanDerWaalsContact C-N 3.33Å; M610-R612 HydrophobicContact CB-CG 4.21Å; M610-R612 PolarHBondContact O-N 3.49Å
611C89.4Confident92.3Very high22 Ų2225 Ų2515%0.14912%0.123CC..THydrogen-bonded Turntrans58.837.7-178.5-59.90000114.4W293 W548 F553 A607 R608W293-C611 HydrophobicContact CG-CB 4.29Å; W293-C611 PolarHBondContact NE1-SG 3.07Å; W293-C611 VanDerWaalsContact NE1-SG 3.36Å; W548-C611 WeakPolarHBondContact CZ3-SG 3.48Å; F553-C611 HydrophobicContact CD2-CB 4.41Å; F553-C611 HydrophobicContact CE1-CB 4.05Å; F553-C611 WeakPolarHBondContact CE1-O 3.28Å; F553-C611 HydrophobicContact CE2-CB 3.71Å; F553-C611 HydrophobicContact CZ-CB 3.52Å; A607-C611 PolarHBondContact O-N 3.37Å; R608-C611 PolarHBondContact O-N 2.91Å
612R88.4Confident92.2Very high49 Ų4925 Ų2519%0.18512%0.124CC..  trans-102.2140.4177.3-64.3173.6169.8-167.4-19.5111.7F299 A607 M610 T616 E618 D619F299-R612 VanDerWaalsContact CB-NH2 3.33Å; A607-R612 HydrophobicContact CB-CB 4.35Å; A607-R612 WeakPolarHBondContact O-CB 3.21Å; A607-R612 PolarHBondContact O-N 2.8Å; M610-R612 VanDerWaalsContact C-N 3.33Å; M610-R612 HydrophobicContact CB-CG 4.21Å; M610-R612 PolarHBondContact O-N 3.49Å; R612-T616 PolarHBondContact NH1-OG1 2.66Å; R612-E618 IonicContact NH1-OE2 2.65Å; R612-E618 IonicContact NH2-OE2 3.45Å; R612-D619 IonicContact NH1-OD1 3.2Å; R612-D619 PolarHBondContact NH1-OD1 3.22Å; R612-D619 VanDerWaalsContact NH1-OD1 3.16Å; R612-D619 IonicContact NH1-OD2 3.82Å
613N89.6Confident92.1Very high104 Ų10424.9 Ų24.956%0.55612%0.124SC*.SBendtrans-84.6-15.2174.8-71.5-24.8000113.5F553 P555 Q556F553-N613 VanDerWaalsContact CD1-OD1 3.22Å; F553-N613 WeakPolarHBondContact CD1-OD1 3.46Å; P555-N613 WeakPolarHBondContact CA-O 3.38Å; Q556-N613 PolarHBondContact N-O 2.94Å
614E91.9Very high92Very high136 Ų13624.9 Ų24.964%0.63612%0.124SC*.EExtended strand (participates in β ladder)trans-127.6133.6178.1-65.4-175172.800109Q556Q556-E614 CarbonylContact O-C 3.59Å; Q556-E614 WeakPolarHBondContact O-CA 3.28Å
615A92.3Very high91.8Very high0 Ų025.2 Ų25.20%013%0.125CC..EExtended strand (participates in β ladder)trans-85.6114.2175.300000109.7Q556 L557 S558 T603 A607Q556-A615 PolarHBondContact O-N 3.22Å; L557-A615 HydrophobicContact CD1-CB 4.16Å; S558-A615 VanDerWaalsContact CB-O 3.24Å; S558-A615 WeakPolarHBondContact CB-O 3.35Å; S558-A615 PolarHBondContact N-O 2.88Å; S558-A615 VanDerWaalsContact N-O 3.14Å; S558-A615 PolarHBondContact OG-O 3.09Å; T603-A615 HydrophobicContact CG2-CB 4.06Å; A607-A615 HydrophobicContact CB-CB 3.9Å
616T92.7Very high91.7Very high41 Ų4125.3 Ų25.325%0.25213%0.125SC..  trans-88.3170.4-173.1640000112R612 E618 D619 A620R612-T616 PolarHBondContact NH1-OG1 2.66Å; T616-E618 PolarHBondContact O-N 2.89Å; T616-D619 PolarHBondContact N-OD2 3.29Å; T616-D619 PolarHBondContact O-N 3.18Å; T616-D619 VanDerWaalsContact OG1-CG 3.23Å; T616-D619 PolarHBondContact OG1-OD2 3.04Å; T616-A620 PolarHBondContact O-N 2.87Å
617I93.6Very high91.5Very high56 Ų5625.5 Ų25.529%0.28713%0.126SC..Hα-helixtrans-59-37173.3-53.9175.1000110.7E560 L564 D619 A620 I621E560-I617 HydrophobicContact CB-CD1 3.54Å; E560-I617 HydrophobicContact CB-CG1 3.52Å; E560-I617 HydrophobicContact CG-CD1 4.35Å; E560-I617 WeakPolarHBondContact OE2-CD1 3.41Å; L564-I617 HydrophobicContact CD2-CG2 3.68Å; I617-D619 VanDerWaalsContact C-N 3.32Å; I617-D619 PolarHBondContact O-N 2.94Å; I617-A620 WeakPolarHBondContact O-CA 3.43Å; I617-A620 WeakPolarHBondContact O-CB 3.14Å; I617-A620 PolarHBondContact O-N 2.74Å; I617-I621 HydrophobicContact CG2-CD1 3.96Å; I617-I621 HydrophobicContact CG2-CG1 4.36Å; I617-I621 WeakPolarHBondContact O-CG1 3.43Å; I617-I621 PolarHBondContact O-N 2.91Å
618E91.3Very high91.2Very high62 Ų6225.6 Ų25.629%0.2913%0.127SC..Hα-helixtrans-63.9-40.6-175.9-49.417513200111.6F299 R612 T616 A620 I621 V622 Y671F299-E618 WeakPolarHBondContact CB-OE2 3.3Å; F299-E618 HydrophobicContact CD1-CB 3.92Å; F299-E618 HydrophobicContact CD1-CG 4.07Å; F299-E618 VanDerWaalsContact CD1-OE1 3.32Å; F299-E618 WeakPolarHBondContact CD1-OE1 3.42Å; F299-E618 WeakPolarHBondContact CD1-OE2 3.36Å; F299-E618 HydrophobicContact CD2-CB 4.41Å; F299-E618 VanDerWaalsContact CD2-OE2 3.26Å; F299-E618 WeakPolarHBondContact CD2-OE2 3.5Å; F299-E618 HydrophobicContact CE1-CB 3.42Å; F299-E618 VanDerWaalsContact CE1-CB 3.42Å; F299-E618 HydrophobicContact CE1-CG 4.04Å; F299-E618 HydrophobicContact CE2-CB 3.87Å; F299-E618 HydrophobicContact CG-CB 4.38Å; F299-E618 VanDerWaalsContact CG-CD 3.41Å; F299-E618 WeakPolarHBondContact CG-OE2 3.48Å; F299-E618 HydrophobicContact CZ-CB 3.33Å; F299-E618 HydrophobicContact CZ-CG 4.35Å; R612-E618 IonicContact NH1-OE2 2.65Å; R612-E618 IonicContact NH2-OE2 3.45Å; T616-E618 PolarHBondContact O-N 2.89Å; E618-A620 VanDerWaalsContact C-N 3.29Å; E618-A620 PolarHBondContact O-N 2.95Å; E618-I621 PolarHBondContact O-N 3.44Å; E618-V622 WeakPolarHBondContact O-CG2 3.38Å; E618-V622 PolarHBondContact O-N 3.32Å; E618-Y671 VanDerWaalsContact CA-OH 3.25Å; E618-Y671 WeakPolarHBondContact CA-OH 3.21Å; E618-Y671 HydrophobicContact CB-CE2 4.19Å; E618-Y671 VanDerWaalsContact CB-OH 3.27Å; E618-Y671 WeakPolarHBondContact CB-OH 3.47Å; E618-Y671 WeakPolarHBondContact CG-OH 3.5Å
619D92.9Very high90.8Very high0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-63.7-38.3174.6-51.8-41.6000110.5T603 H606 R612 T616 I617 V623T603-D619 HydrophobicContact CG2-CB 4Å; H606-D619 IonicContact CE1-OD1 2.72Å; H606-D619 PolarHBondContact CE1-OD1 2.79Å; H606-D619 VanDerWaalsContact ND1-CB 3.33Å; H606-D619 WeakPolarHBondContact ND1-CB 3.39Å; H606-D619 IonicContact ND1-OD1 2.82Å; H606-D619 PolarHBondContact ND1-OD1 2.81Å; R612-D619 IonicContact NH1-OD1 3.2Å; R612-D619 PolarHBondContact NH1-OD1 3.22Å; R612-D619 VanDerWaalsContact NH1-OD1 3.16Å; R612-D619 IonicContact NH1-OD2 3.82Å; T616-D619 PolarHBondContact N-OD2 3.29Å; T616-D619 PolarHBondContact O-N 3.18Å; T616-D619 VanDerWaalsContact OG1-CG 3.23Å; T616-D619 PolarHBondContact OG1-OD2 3.04Å; I617-D619 VanDerWaalsContact C-N 3.32Å; I617-D619 PolarHBondContact O-N 2.94Å; D619-V623 WeakPolarHBondContact O-CG2 2.96Å; D619-V623 PolarHBondContact O-N 3.06Å; D619-V623 VanDerWaalsContact O-N 3.13Å
620A93.7Very high90.6Very high0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-66.6-39.2176.600000112.4A561 L564 L565 T603 T616 I617 E618 V623 I624A561-A620 HydrophobicContact CB-CB 4.16Å; L564-A620 HydrophobicContact CD2-CB 4.22Å; L565-A620 HydrophobicContact CD2-CB 4.02Å; L565-A620 HydrophobicContact CG-CB 4.24Å; T603-A620 HydrophobicContact CG2-CB 4.07Å; T616-A620 PolarHBondContact O-N 2.87Å; I617-A620 WeakPolarHBondContact O-CA 3.43Å; I617-A620 WeakPolarHBondContact O-CB 3.14Å; I617-A620 PolarHBondContact O-N 2.74Å; E618-A620 VanDerWaalsContact C-N 3.29Å; E618-A620 PolarHBondContact O-N 2.95Å; A620-V623 PolarHBondContact O-N 2.99Å; A620-I624 WeakPolarHBondContact O-CB 3.31Å; A620-I624 VanDerWaalsContact O-CG1 3.25Å; A620-I624 WeakPolarHBondContact O-CG1 3.45Å; A620-I624 PolarHBondContact O-N 2.97Å
621I92.6Very high90.3Very high1 Ų125.5 Ų25.51%0.00513%0.128CC..Hα-helixtrans-62.2-46.4176.8-70.5163.4000111L564 I617 E618 V623 I624 Y625 Y671 I674 E675 V678L564-I621 HydrophobicContact CD2-CD1 4.49Å; L564-I621 HydrophobicContact CD2-CG1 3.72Å; I617-I621 HydrophobicContact CG2-CD1 3.96Å; I617-I621 HydrophobicContact CG2-CG1 4.36Å; I617-I621 WeakPolarHBondContact O-CG1 3.43Å; I617-I621 PolarHBondContact O-N 2.91Å; E618-I621 PolarHBondContact O-N 3.44Å; I621-V623 VanDerWaalsContact C-N 3.29Å; I621-V623 PolarHBondContact O-N 3.29Å; I621-I624 PolarHBondContact O-N 3.37Å; I621-Y625 PolarHBondContact O-N 3.13Å; I621-Y671 HydrophobicContact CB-CE2 4.36Å; I621-Y671 WeakPolarHBondContact CD1-OH 3.44Å; I621-Y671 HydrophobicContact CG2-CE2 4.15Å; I621-I674 HydrophobicContact CG2-CG2 3.93Å; I621-E675 HydrophobicContact CD1-CG 4.06Å; I621-E675 HydrophobicContact CG2-CB 4.32Å; I621-V678 HydrophobicContact CG2-CB 4.49Å; I621-V678 HydrophobicContact CG2-CG2 4.32Å
622V90.7Very high89.7Confident10 Ų1027.2 Ų27.26%0.06113%0.131CC..Hα-helixtrans-61.3-40.5177.7174.60000111L325 E618 Y625 L626 Y671L325-V622 HydrophobicContact CD2-CG1 4.37Å; E618-V622 WeakPolarHBondContact O-CG2 3.38Å; E618-V622 PolarHBondContact O-N 3.32Å; V622-Y625 PolarHBondContact O-N 3.02Å; V622-L626 WeakPolarHBondContact O-CB 3.49Å; V622-L626 PolarHBondContact O-N 2.76Å; V622-Y671 HydrophobicContact CG2-CD2 3.9Å; V622-Y671 HydrophobicContact CG2-CE2 3.98Å
623V93Very high89.2Confident1 Ų125 Ų251%0.00612%0.123CC..Hα-helixtrans-70-40.8178.8167.60000112.2L599 L602 H606 D619 A620 I621 Y625 L626 V627L599-V623 HydrophobicContact CD2-CG1 3.94Å; L602-V623 HydrophobicContact CB-CB 4.49Å; L602-V623 HydrophobicContact CB-CG1 3.57Å; L602-V623 HydrophobicContact CB-CG2 4.04Å; L602-V623 HydrophobicContact CD1-CG1 4.28Å; H606-V623 HydrophobicContact CB-CG2 4.24Å; D619-V623 WeakPolarHBondContact O-CG2 2.96Å; D619-V623 PolarHBondContact O-N 3.06Å; D619-V623 VanDerWaalsContact O-N 3.13Å; A620-V623 PolarHBondContact O-N 2.99Å; I621-V623 VanDerWaalsContact C-N 3.29Å; I621-V623 PolarHBondContact O-N 3.29Å; V623-Y625 VanDerWaalsContact C-N 3.32Å; V623-Y625 PolarHBondContact O-N 3.38Å; V623-L626 PolarHBondContact O-N 3.15Å; V623-V627 HydrophobicContact CG1-CG2 4.43Å; V623-V627 WeakPolarHBondContact O-CG2 3.26Å; V623-V627 PolarHBondContact O-N 3.25Å
624I92.2Very high88.4Confident0 Ų020.1 Ų20.10%010%0.097CC..Hα-helixtrans-57.3-48.9173.7-74.6165.2000109.9L564 L565 Y568 L599 A620 I621 L626 V627 D628 V678L564-I624 HydrophobicContact CD2-CD1 4Å; L564-I624 HydrophobicContact CG-CD1 3.92Å; L565-I624 HydrophobicContact CD2-CD1 4.18Å; L565-I624 HydrophobicContact CD2-CG1 4.11Å; Y568-I624 HydrophobicContact CD1-CG1 3.99Å; Y568-I624 HydrophobicContact CD1-CG2 4.5Å; Y568-I624 HydrophobicContact CD2-CD1 4.49Å; Y568-I624 HydrophobicContact CD2-CG1 4.3Å; Y568-I624 HydrophobicContact CD2-CG2 3.55Å; Y568-I624 HydrophobicContact CE1-CG1 4.4Å; Y568-I624 HydrophobicContact CE1-CG2 4.45Å; Y568-I624 HydrophobicContact CE2-CG2 3.51Å; Y568-I624 HydrophobicContact CG-CD1 4.08Å; Y568-I624 HydrophobicContact CG-CG1 3.93Å; Y568-I624 HydrophobicContact CG-CG2 4.07Å; L599-I624 HydrophobicContact CD2-CG1 4.47Å; A620-I624 WeakPolarHBondContact O-CB 3.31Å; A620-I624 VanDerWaalsContact O-CG1 3.25Å; A620-I624 WeakPolarHBondContact O-CG1 3.45Å; A620-I624 PolarHBondContact O-N 2.97Å; I621-I624 PolarHBondContact O-N 3.37Å; I624-L626 VanDerWaalsContact C-N 3.32Å; I624-L626 PolarHBondContact O-N 3.11Å; I624-V627 PolarHBondContact O-N 3.2Å; I624-D628 WeakPolarHBondContact O-CB 3.34Å; I624-D628 PolarHBondContact O-N 2.82Å; I624-V678 HydrophobicContact CD1-CG1 4.38Å; I624-V678 HydrophobicContact CG2-CG1 3.9Å; I624-V678 HydrophobicContact CG2-CG2 4.07Å
625Y89.6Confident87.2Confident24 Ų2414.8 Ų14.89%0.0948%0.075CC..Hα-helixtrans-57.8-45.3176.7175.3-108.9000112.2L322 I621 V622 V623 V627 D628 C629 I653 I674L322-Y625 HydrophobicContact CD2-CE1 4Å; I621-Y625 PolarHBondContact O-N 3.13Å; V622-Y625 PolarHBondContact O-N 3.02Å; V623-Y625 VanDerWaalsContact C-N 3.32Å; V623-Y625 PolarHBondContact O-N 3.38Å; Y625-V627 PolarHBondContact O-N 3.37Å; Y625-D628 PolarHBondContact O-N 3.38Å; Y625-C629 WeakPolarHBondContact O-CB 3.38Å; Y625-C629 PolarHBondContact O-N 3.24Å; Y625-C629 PolarHBondContact O-SG 3.05Å; Y625-I653 HydrophobicContact CE2-CD1 4.07Å; Y625-I674 HydrophobicContact CD1-CD1 3.82Å; Y625-I674 HydrophobicContact CD1-CG1 4.19Å; Y625-I674 HydrophobicContact CD1-CG2 4.3Å; Y625-I674 HydrophobicContact CD2-CG1 4.16Å; Y625-I674 HydrophobicContact CD2-CG2 3.98Å; Y625-I674 HydrophobicContact CE1-CD1 3.86Å; Y625-I674 HydrophobicContact CE1-CG1 4.24Å; Y625-I674 HydrophobicContact CE2-CG1 4.23Å; Y625-I674 HydrophobicContact CG-CD1 4.23Å; Y625-I674 HydrophobicContact CG-CG1 4.14Å; Y625-I674 HydrophobicContact CG-CG2 3.68Å
626L90.6Very high85.4Confident2 Ų217.7 Ų17.71%0.0110%0.096CC..Hα-helixtrans-62.4-42.8178.9-173.9149.9000112.2L325 L329 L495 W497 V622 V623 I624 C629 S630L325-L626 HydrophobicContact CB-CD1 4.47Å; L325-L626 HydrophobicContact CD2-CD1 3.84Å; L325-L626 HydrophobicContact CG-CD1 3.86Å; L329-L626 HydrophobicContact CD1-CD1 4.03Å; L495-L626 HydrophobicContact CD1-CD2 3.44Å; L495-L626 VanDerWaalsContact CD1-CD2 3.44Å; L495-L626 HydrophobicContact CD2-CD2 3.31Å; L495-L626 HydrophobicContact CG-CD2 4.01Å; W497-L626 HydrophobicContact CH2-CG 4.41Å; W497-L626 HydrophobicContact CZ2-CD2 4.06Å; W497-L626 HydrophobicContact CZ2-CG 4.02Å; V622-L626 WeakPolarHBondContact O-CB 3.49Å; V622-L626 PolarHBondContact O-N 2.76Å; V623-L626 PolarHBondContact O-N 3.15Å; I624-L626 VanDerWaalsContact C-N 3.32Å; I624-L626 PolarHBondContact O-N 3.11Å; L626-C629 PolarHBondContact O-N 2.96Å; L626-S630 PolarHBondContact O-N 3.24Å; L626-S630 VanDerWaalsContact O-N 3.07Å
627V89.6Confident83.3Confident3 Ų320.5 Ų20.52%0.01811%0.108CC..Hα-helixtrans-67.9-42.5178168.90000111.1L495 L595 L599 L602 V623 I624 Y625 C629 S630 L631L495-V627 HydrophobicContact CD2-CG2 4Å; L595-V627 HydrophobicContact CD1-CG1 3.83Å; L599-V627 HydrophobicContact CD2-CB 4.18Å; L599-V627 HydrophobicContact CD2-CG1 4.37Å; L599-V627 HydrophobicContact CD2-CG2 3.8Å; L602-V627 HydrophobicContact CD1-CG2 3.93Å; V623-V627 HydrophobicContact CG1-CG2 4.43Å; V623-V627 WeakPolarHBondContact O-CG2 3.26Å; V623-V627 PolarHBondContact O-N 3.25Å; I624-V627 PolarHBondContact O-N 3.2Å; Y625-V627 PolarHBondContact O-N 3.37Å; V627-C629 PolarHBondContact O-N 2.86Å; V627-S630 WeakPolarHBondContact O-CB 3.18Å; V627-S630 PolarHBondContact O-N 3.45Å; V627-L631 HydrophobicContact CG1-CD1 3.87Å; V627-L631 HydrophobicContact CG1-CG 4.3Å; V627-L631 VanDerWaalsContact O-CG 3.27Å; V627-L631 WeakPolarHBondContact O-CG 3.45Å; V627-L631 PolarHBondContact O-N 3Å
628D86.2Confident80.9Confident3 Ų326.1 Ų26.12%0.01613%0.131CC..Hα-helixtrans-57.9-49.6174-82.7-23.7000111Y568 I624 Y625 S630 L631 Y632 L649Y568-D628 WeakPolarHBondContact CE2-OD1 3.27Å; Y568-D628 VanDerWaalsContact OH-CG 3.32Å; Y568-D628 PolarHBondContact OH-OD1 3.28Å; I624-D628 WeakPolarHBondContact O-CB 3.34Å; I624-D628 PolarHBondContact O-N 2.82Å; Y625-D628 PolarHBondContact O-N 3.38Å; D628-S630 VanDerWaalsContact C-N 3.28Å; D628-S630 PolarHBondContact O-N 2.98Å; D628-L631 PolarHBondContact O-N 3.03Å; D628-L631 VanDerWaalsContact O-N 3.09Å; D628-Y632 HydrophobicContact CB-CD2 4.25Å; D628-Y632 HydrophobicContact CB-CE2 4.05Å; D628-Y632 WeakPolarHBondContact O-CD2 3.13Å; D628-Y632 PolarHBondContact O-N 2.95Å; D628-L649 WeakPolarHBondContact OD2-CD1 3.4Å
629C85.2Confident78.4Confident0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-54.1-43.4175.1-69.70000112.2L322 W497 Y625 L626 V627 S633 I653L322-C629 HydrophobicContact CD1-CB 3.98Å; W497-C629 HydrophobicContact CH2-CB 3.8Å; W497-C629 HydrophobicContact CZ3-CB 3.87Å; Y625-C629 WeakPolarHBondContact O-CB 3.38Å; Y625-C629 PolarHBondContact O-N 3.24Å; Y625-C629 PolarHBondContact O-SG 3.05Å; L626-C629 PolarHBondContact O-N 2.96Å; V627-C629 PolarHBondContact O-N 2.86Å; C629-S633 WeakPolarHBondContact O-CB 3.43Å; C629-S633 PolarHBondContact O-N 3.26Å; C629-I653 WeakPolarHBondContact SG-CD1 3.33Å
630S87.3Confident75.5Confident4 Ų436.1 Ų36.13%0.02819%0.192CC..Hα-helixtrans-66-39.8177.3172.60000112.4I496 L626 V627 D628 T634I496-S630 PolarHBondContact N-OG 2.84Å; I496-S630 PolarHBondContact O-OG 2.84Å; L626-S630 PolarHBondContact O-N 3.24Å; L626-S630 VanDerWaalsContact O-N 3.07Å; V627-S630 WeakPolarHBondContact O-CB 3.18Å; V627-S630 PolarHBondContact O-N 3.45Å; D628-S630 VanDerWaalsContact C-N 3.28Å; D628-S630 PolarHBondContact O-N 2.98Å; S630-T634 PolarHBondContact O-OG1 2.99Å
631L82.8Confident72.7Confident17 Ų1744.5 Ų44.59%0.08923%0.232CC..Hα-helixtrans-68.2-43.2178.3-69.1171.4000111.6R590 V627 D628 T634 S635R590-L631 HydrophobicContact CB-CD2 4.26Å; R590-L631 VanDerWaalsContact CZ-CD2 3.49Å; R590-L631 PolarHBondContact NH2-O 3.28Å; V627-L631 HydrophobicContact CG1-CD1 3.87Å; V627-L631 HydrophobicContact CG1-CG 4.3Å; V627-L631 VanDerWaalsContact O-CG 3.27Å; V627-L631 WeakPolarHBondContact O-CG 3.45Å; V627-L631 PolarHBondContact O-N 3Å; D628-L631 PolarHBondContact O-N 3.03Å; D628-L631 VanDerWaalsContact O-N 3.09Å; L631-T634 PolarHBondContact O-OG1 2.72Å; L631-S635 PolarHBondContact O-N 3.34Å; L631-S635 PolarHBondContact O-OG 3.39Å
632Y78.5Confident70Confident58 Ų5848.5 Ų48.523%0.22726%0.26CS..Hα-helixtrans-67.5-41.8177.1-73-62.7000112.5D628 T634 S635 L649D628-Y632 HydrophobicContact CB-CD2 4.25Å; D628-Y632 HydrophobicContact CB-CE2 4.05Å; D628-Y632 WeakPolarHBondContact O-CD2 3.13Å; D628-Y632 PolarHBondContact O-N 2.95Å; Y632-T634 PolarHBondContact O-N 3.44Å; Y632-T634 VanDerWaalsContact O-N 3.1Å; Y632-S635 WeakPolarHBondContact CA-OG 3.2Å; Y632-S635 PolarHBondContact O-N 3.1Å; Y632-S635 VanDerWaalsContact O-O 3.07Å; Y632-S635 PolarHBondContact O-OG 2.91Å; Y632-S635 VanDerWaalsContact O-OG 3.09Å; Y632-L649 HydrophobicContact CE2-CB 4Å
633S76.8Confident67.1Low2 Ų257.6 Ų57.61%0.01430%0.301CS..Hα-helixtrans-49.7-39.4177.4175.40000112.7R498 C629 I658R498-S633 WeakPolarHBondContact CB-OG 3.08Å; R498-S633 WeakPolarHBondContact CD-O 3.35Å; R498-S633 PolarHBondContact N-OG 3.09Å; R498-S633 PolarHBondContact O-OG 3.4Å; R498-S633 VanDerWaalsContact O-OG 3.06Å; C629-S633 WeakPolarHBondContact O-CB 3.43Å; C629-S633 PolarHBondContact O-N 3.26Å; S633-I658 VanDerWaalsContact CB-CD1 3.44Å
634T73.5Confident64.4Low2 Ų263.7 Ų63.71%0.01233%0.333CS..Hα-helixtrans-83.3-24-179.649.30000114.7E481 F483 I496 R590 S630 L631 Y632E481-T634 VanDerWaalsContact CD-O 3.31Å; F483-T634 HydrophobicContact CZ-CG2 4.02Å; I496-T634 HydrophobicContact CB-CG2 4.27Å; I496-T634 HydrophobicContact CG2-CG2 3.88Å; R590-T634 PolarHBondContact NH1-OG1 2.82Å; R590-T634 PolarHBondContact NH2-OG1 3.14Å; S630-T634 PolarHBondContact O-OG1 2.99Å; L631-T634 PolarHBondContact O-OG1 2.72Å; Y632-T634 PolarHBondContact O-N 3.44Å; Y632-T634 VanDerWaalsContact O-N 3.1Å
635S66.3Low61.6Low24 Ų2470.2 Ų70.217%0.16837%0.368CS..  trans-92.3106.1179.257.50000110.5L631 Y632 I637L631-S635 PolarHBondContact O-N 3.34Å; L631-S635 PolarHBondContact O-OG 3.39Å; Y632-S635 WeakPolarHBondContact CA-OG 3.2Å; Y632-S635 PolarHBondContact O-N 3.1Å; Y632-S635 VanDerWaalsContact O-O 3.07Å; Y632-S635 PolarHBondContact O-OG 2.91Å; Y632-S635 VanDerWaalsContact O-OG 3.09Å; S635-I637 PolarHBondContact O-N 3.37Å
636S55Low58.9Low62 Ų6275.8 Ų75.843%0.43440%0.399SS..  trans-7468.6171.5-730000111.1E481 R498 K638E481-S636 WeakPolarHBondContact OE1-CA 3.34Å; E481-S636 VanDerWaalsContact OE1-CB 3.3Å; E481-S636 WeakPolarHBondContact OE1-CB 3.42Å; E481-S636 PolarHBondContact OE1-N 3.08Å; R498-S636 PolarHBondContact NH1-OG 3.23Å; S636-K638 PolarHBondContact O-N 2.84Å; S636-K638 VanDerWaalsContact O-N 3.11Å
637I48.9Very low56.5Low100 Ų10077.5 Ų77.551%0.51342%0.417SS..  trans-72.6102.5157.8-59.5175.4000105.9S635S635-I637 PolarHBondContact O-N 3.37Å
638K42.8Very low54.7Low174 Ų17479.7 Ų79.776%0.75743%0.433SS*.  trans-55.8126.8167.7-73.7-177.6178.4178.20107.3S636 N640S636-K638 PolarHBondContact O-N 2.84Å; S636-K638 VanDerWaalsContact O-N 3.11Å; K638-N640 PolarHBondContact O-N 2.84Å
639P38.5Very low53.1Low123 Ų12379.8 Ų79.880%0.79943%0.433SS*.THydrogen-bonded Turntrans-63.4-5.3-173.523-33.1000114.6
640N32.6Very low51.4Low148 Ų14882.9 Ų82.979%0.79146%0.455SS*.THydrogen-bonded Turntrans-95.35.2-167.8-72.3-8.5000115.9K638K638-N640 PolarHBondContact O-N 2.84Å
641Q34.6Very low49.3Very low177 Ų17789.6 Ų89.683%0.82748%0.484SS*.SBendtrans-145.980.4177.8-65.9-176.3-0.600112.7
642S35.3Very low47.8Very low84 Ų8495.8 Ų95.859%0.58751%0.51SS*.  trans179.2120.8142.938.70000111.8L644S642-L644 VanDerWaalsContact C-N 3.31Å; S642-L644 PolarHBondContact O-N 3.06Å
643H30.4Very low47Very low201 Ų20194 Ų9493%0.93150%0.504SS*.  trans-64.487.2160.4-84.1-87.9000109.5
644L35.8Very low46.3Very low129 Ų12996.3 Ų96.368%0.67552%0.52SS*.  trans-143.4107172.3-73.9170000110.5S642S642-L644 VanDerWaalsContact C-N 3.31Å; S642-L644 PolarHBondContact O-N 3.06Å
645N33.3Very low45.7Very low137 Ų13797.8 Ų97.873%0.73353%0.53SS*.  trans30.7113.2161.9-62.2-11.3000119.6G647 S648N645-G647 PolarHBondContact O-N 2.79Å; N645-S648 PolarHBondContact O-OG 2.98Å
646D33.1Very low45.8Very low142 Ų142100.4 Ų100.476%0.75954%0.54SS*.THydrogen-bonded Turntrans-56.55.6177.5-84.1-31.1000117.5K651D646-K651 IonicContact OD1-NZ 2.96Å; D646-K651 PolarHBondContact OD1-NZ 2.73Å
647G40.4Very low46.5Very low37 Ų37100.6 Ų100.638%0.38154%0.536SS..THydrogen-bonded Turntrans-104.65.6-177.600000115.6N645N645-G647 PolarHBondContact O-N 2.79Å
648S51.5Low47.7Very low50 Ų5095.9 Ų95.935%0.3551%0.511SS..  trans-94.2134.6-168.6-51.80000111.8N645 S650 K651N645-S648 PolarHBondContact O-OG 2.98Å; S648-S650 VanDerWaalsContact CB-OG 3.26Å; S648-S650 WeakPolarHBondContact CB-OG 3.42Å; S648-S650 PolarHBondContact O-N 3.24Å; S648-K651 PolarHBondContact O-N 2.85Å
649L52.9Low49.2Very low5 Ų587.7 Ų87.73%0.02648%0.476CS..G310 helixtrans-46-20172.4-79.5159.5000114D628 Y632 K651 L677 T681D628-L649 WeakPolarHBondContact OD2-CD1 3.4Å; Y632-L649 HydrophobicContact CE2-CB 4Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-K651 PolarHBondContact O-N 2.79Å; L649-L677 HydrophobicContact CD2-CB 3.82Å; L649-L677 HydrophobicContact CD2-CD1 4.27Å; L649-L677 HydrophobicContact CD2-CG 4.49Å; L649-T681 HydrophobicContact CD1-CG2 3.73Å; L649-T681 HydrophobicContact CG-CG2 3.82Å
650S50.1Low50.6Low64 Ų6483.4 Ų83.445%0.44845%0.449SS..G310 helixtrans-64.7-20.5-176.356.50000116.1S648S648-S650 VanDerWaalsContact CB-OG 3.26Å; S648-S650 WeakPolarHBondContact CB-OG 3.42Å; S648-S650 PolarHBondContact O-N 3.24Å
651K41.8Very low52.7Low146 Ų14678.5 Ų78.564%0.63542%0.422SS*.G310 helixtrans-80.3-20.2-175.4-106.5179.3-176.9179.60114.8D646 S648 L649D646-K651 IonicContact OD1-NZ 2.96Å; D646-K651 PolarHBondContact OD1-NZ 2.73Å; S648-K651 PolarHBondContact O-N 2.85Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-K651 PolarHBondContact O-N 2.79Å
652F51.4Low54.8Low146 Ų14673 Ų7364%0.6440%0.398SS*.SBendtrans-106.6-6.8-165.2-67.9-72.2000115.6L657F652-L657 WeakPolarHBondContact O-CD2 3.46Å
653I62Low56.8Low20 Ų2070.3 Ų70.310%0.10338%0.377CS..  trans-128.791.8-172.7-59.5151.1000109.2Y625 C629 I658Y625-I653 HydrophobicContact CE2-CD1 4.07Å; C629-I653 WeakPolarHBondContact SG-CD1 3.33Å; I653-I658 HydrophobicContact CG2-CD1 3.95Å; I653-I658 HydrophobicContact CG2-CG1 3.73Å
654S61.4Low59Low51 Ų5161.9 Ų61.936%0.35734%0.34SS..  trans-80152.1163.460.80000109.6E656 L657 I658S654-E656 PolarHBondContact O-N 3.32Å; S654-E656 VanDerWaalsContact O-N 3.16Å; S654-L657 WeakPolarHBondContact O-CB 3.33Å; S654-L657 PolarHBondContact O-N 3.35Å; S654-L657 PolarHBondContact OG-N 2.62Å; S654-I658 PolarHBondContact O-N 3.36Å
655P61.8Low60.7Low34 Ų3463.7 Ų63.722%0.22135%0.345CS..Hα-helixtrans-57.7-28.6176.123.3-33.9000112.9V500 I658V500-P655 HydrophobicContact CB-CB 4.29Å; V500-P655 HydrophobicContact CG2-CB 3.92Å; V500-P655 HydrophobicContact CG2-CG 4.18Å; P655-I658 PolarHBondContact O-N 2.84Å
656E67.6Low62.8Low79 Ų7962.4 Ų62.437%0.36934%0.338SS..Hα-helixtrans-64.8-38.8171.9-71.7163.2-156.400112.8V500 P502 S654 I658 V659 S660V500-E656 HydrophobicContact CG1-CG 4.34Å; P502-E656 HydrophobicContact CB-CB 3.9Å; P502-E656 HydrophobicContact CB-CG 4.07Å; S654-E656 PolarHBondContact O-N 3.32Å; S654-E656 VanDerWaalsContact O-N 3.16Å; E656-I658 VanDerWaalsContact C-N 3.3Å; E656-I658 PolarHBondContact O-N 3.49Å; E656-V659 PolarHBondContact O-N 3.28Å; E656-S660 PolarHBondContact O-N 3.47Å; E656-S660 PolarHBondContact O-OG 3.27Å
657L70.2Confident64.9Low66 Ų6656.2 Ų56.235%0.34631%0.306SS..Hα-helixtrans-67.7-33.8179-158.981.2000111.5F652 S654 V659 S660 M661F652-L657 WeakPolarHBondContact O-CD2 3.46Å; S654-L657 WeakPolarHBondContact O-CB 3.33Å; S654-L657 PolarHBondContact O-N 3.35Å; S654-L657 PolarHBondContact OG-N 2.62Å; L657-V659 PolarHBondContact O-N 3.45Å; L657-S660 WeakPolarHBondContact CA-OG 3.49Å; L657-S660 PolarHBondContact O-N 2.74Å; L657-S660 PolarHBondContact O-OG 2.96Å; L657-M661 HydrophobicContact CD2-CE 3.86Å; L657-M661 HydrophobicContact CD2-CG 4.5Å; L657-M661 HydrophobicContact CG-CG 4.23Å; L657-M661 WeakPolarHBondContact O-CB 2.83Å; L657-M661 WeakPolarHBondContact O-CG 2.94Å; L657-M661 PolarHBondContact O-N 3.23Å
658I74.8Confident66.7Low0 Ų056.6 Ų56.60%030%0.302CS..Hα-helixtrans-60-36.1179.2-61.9173.3000111.2L322 W497 S633 I653 S654 P655 E656L322-I658 HydrophobicContact CD1-CG2 4.5Å; W497-I658 HydrophobicContact CE3-CD1 4.26Å; W497-I658 HydrophobicContact CE3-CG2 4.09Å; W497-I658 HydrophobicContact CZ3-CD1 4.13Å; W497-I658 HydrophobicContact CZ3-CG2 4.25Å; S633-I658 VanDerWaalsContact CB-CD1 3.44Å; I653-I658 HydrophobicContact CG2-CD1 3.95Å; I653-I658 HydrophobicContact CG2-CG1 3.73Å; S654-I658 PolarHBondContact O-N 3.36Å; P655-I658 PolarHBondContact O-N 2.84Å; E656-I658 VanDerWaalsContact C-N 3.3Å; E656-I658 PolarHBondContact O-N 3.49Å
659V73Confident68Low2 Ų258.4 Ų58.41%0.01231%0.311CS..Hα-helixtrans-72.6-45.1177.9176.20000110.7M320 L499 V500 W508 E656 L657 M661M320-V659 HydrophobicContact CE-CG1 4Å; M320-V659 PolarHBondContact N-O 3.2Å; L499-V659 HydrophobicContact CB-CG2 4.25Å; L499-V659 HydrophobicContact CD2-CG2 4.39Å; V500-V659 WeakPolarHBondContact O-CG2 3.3Å; W508-V659 HydrophobicContact CH2-CG1 4.07Å; W508-V659 HydrophobicContact CZ2-CG1 3.52Å; E656-V659 PolarHBondContact O-N 3.28Å; L657-V659 PolarHBondContact O-N 3.45Å; V659-M661 PolarHBondContact O-N 3.35Å
660S68.5Low69.2Low33 Ų3360.3 Ų60.323%0.23132%0.321CS..Hα-helixtrans-81.1-9.8-176.658.40000115E656 L657 N662E656-S660 PolarHBondContact O-N 3.47Å; E656-S660 PolarHBondContact O-OG 3.27Å; L657-S660 WeakPolarHBondContact CA-OG 3.49Å; L657-S660 PolarHBondContact O-N 2.74Å; L657-S660 PolarHBondContact O-OG 2.96Å; S660-N662 PolarHBondContact O-N 3.18Å; S660-N662 VanDerWaalsContact O-N 3.14Å
661M77.8Confident70.8Confident45 Ų4558.2 Ų58.222%0.22230%0.304CS..  trans-63.1112.9-179.7-95.3177.9154.100112.3G319 M320 Y321 L322 L657 V659G319-M661 CarbonylContact C-O 3.59Å; M320-M661 PolarHBondContact N-O 3.43Å; Y321-M661 PolarHBondContact N-O 3.42Å; Y321-M661 VanDerWaalsContact N-O 3.11Å; L322-M661 HydrophobicContact CD1-SD 3.86Å; L322-M661 HydrophobicContact CG-SD 4.26Å; L657-M661 HydrophobicContact CD2-CE 3.86Å; L657-M661 HydrophobicContact CD2-CG 4.5Å; L657-M661 HydrophobicContact CG-CG 4.23Å; L657-M661 WeakPolarHBondContact O-CB 2.83Å; L657-M661 WeakPolarHBondContact O-CG 2.94Å; L657-M661 PolarHBondContact O-N 3.23Å; V659-M661 PolarHBondContact O-N 3.35Å
662N77.7Confident72.7Confident61 Ų6155.5 Ų55.533%0.32630%0.296SS..PPolyproline II helixtrans-81.7160.3172.7-77.4-21.3000111.9Y318 S660Y318-N662 PolarHBondContact OH-ND2 2.89Å; S660-N662 PolarHBondContact O-N 3.18Å; S660-N662 VanDerWaalsContact O-N 3.14Å
663I77.6Confident74.1Confident28 Ų2854 Ų5414%0.14429%0.291CS..PPolyproline II helixtrans-66.2123175.6-55.5-177.9000108.1N307 L310 R311 Y321 E665N307-I663 HydrophobicContact CB-CG2 3.74Å; L310-I663 HydrophobicContact CB-CD1 4.26Å; R311-I663 HydrophobicContact CB-CD1 4.27Å; R311-I663 HydrophobicContact CG-CD1 3.41Å; R311-I663 VanDerWaalsContact CG-CD1 3.41Å; Y321-I663 HydrophobicContact CD2-CB 4.21Å; Y321-I663 HydrophobicContact CD2-CG1 3.84Å; Y321-I663 HydrophobicContact CD2-CG2 4.17Å; Y321-I663 HydrophobicContact CE2-CG2 4.24Å; Y321-I663 HydrophobicContact CG-CG1 4.48Å; I663-E665 PolarHBondContact O-N 3.14Å
664P76.7Confident75Confident24 Ų2453.7 Ų53.716%0.15629%0.289CS..PPolyproline II helixtrans-61.7132.1-176.823.6-32.3000110.5N307 Y321 D670N307-P664 PolarHBondContact ND2-O 3.37Å; Y321-P664 HydrophobicContact CE1-CG 4.44Å; P664-D670 HydrophobicContact CB-CB 4.28Å
665E70.4Confident76Confident167 Ų16754.1 Ų54.178%0.7829%0.285SS*.SBendtrans-68.6-37.4176.6-65.7-176.5174.100111.3I663 P667I663-E665 PolarHBondContact O-N 3.14Å; E665-P667 WeakPolarHBondContact O-CD 3.39Å
666N78.2Confident77Confident110 Ų11059.7 Ų59.759%0.58831%0.306SS*.  trans-113.690.6178.1-67.6-44.1000110.5S668 V669N666-S668 VanDerWaalsContact C-N 3.25Å; N666-S668 PolarHBondContact O-N 3.02Å; N666-V669 HydrophobicContact CB-CG2 4.39Å
667P76.3Confident77.4Confident13 Ų1358.1 Ų58.18%0.08430%0.3CS..Hα-helixtrans-66.8-24.8-174.724.4-33.2000114L303 E304 E665 Y671L303-P667 HydrophobicContact CB-CB 3.65Å; L303-P667 HydrophobicContact CB-CG 4.12Å; L303-P667 HydrophobicContact CD1-CB 4.4Å; E304-P667 HydrophobicContact CB-CG 4.2Å; E665-P667 WeakPolarHBondContact O-CD 3.39Å; P667-Y671 WeakPolarHBondContact O-CB 3.42Å; P667-Y671 PolarHBondContact O-N 3.4Å
668S78.4Confident77.9Confident45 Ų4555 Ų5532%0.31528%0.284SS..Hα-helixtrans-68.7-44.4-177.456.60000112.6S300 N666 Y671 L672S300-S668 VanDerWaalsContact OG-CB 3.27Å; S300-S668 WeakPolarHBondContact OG-CB 3.36Å; N666-S668 VanDerWaalsContact C-N 3.25Å; N666-S668 PolarHBondContact O-N 3.02Å; S668-Y671 PolarHBondContact O-N 3.15Å; S668-L672 WeakPolarHBondContact O-CG 3.45Å; S668-L672 PolarHBondContact O-N 3.37Å
669V79.6Confident78.2Confident88 Ų8858.8 Ų58.853%0.53330%0.302SS..Hα-helixtrans-66.7-43.7179.4-179.80000109.9N666 L672 Q673N666-V669 HydrophobicContact CB-CG2 4.39Å; V669-L672 PolarHBondContact O-N 3.02Å; V669-Q673 WeakPolarHBondContact O-CB 3.4Å; V669-Q673 PolarHBondContact O-N 2.98Å
670D78.6Confident78.4Confident45 Ų4560.6 Ų60.624%0.24132%0.315CS..Hα-helixtrans-61.5-46.5177.5-167.433.2000110.9P664 L672 Q673 I674P664-D670 HydrophobicContact CB-CB 4.28Å; D670-L672 PolarHBondContact O-N 3.31Å; D670-Q673 WeakPolarHBondContact O-CB 3.38Å; D670-Q673 PolarHBondContact O-N 2.71Å; D670-Q673 VanDerWaalsContact O-N 3.14Å; D670-I674 VanDerWaalsContact O-CG1 3.27Å; D670-I674 WeakPolarHBondContact O-CG1 3.32Å; D670-I674 PolarHBondContact O-N 2.9Å
671Y82.3Confident78.7Confident20 Ų2059.6 Ų59.68%0.07831%0.308CS..Hα-helixtrans-58.9-46.3175.1176-96.8000112.9F299 L303 E618 I621 V622 P667 S668 Q673 I674 E675F299-Y671 HydrophobicContact CD1-CE1 4.49Å; F299-Y671 HydrophobicContact CE1-CD1 4.17Å; F299-Y671 AromaticContact CE1-CD2 3.78Å; F299-Y671 HydrophobicContact CE1-CD2 3.78Å; F299-Y671 HydrophobicContact CE1-CE1 4.01Å; F299-Y671 AromaticContact CE1-CE2 3.59Å; F299-Y671 HydrophobicContact CE1-CE2 3.59Å; F299-Y671 HydrophobicContact CE1-CG 4.07Å; F299-Y671 AromaticContact CE1-CZ 3.72Å; F299-Y671 HydrophobicContact CZ-CD2 4.31Å; F299-Y671 HydrophobicContact CZ-CE2 4.04Å; L303-Y671 HydrophobicContact CD1-CD2 4.41Å; L303-Y671 HydrophobicContact CD1-CG 4.1Å; E618-Y671 VanDerWaalsContact CA-OH 3.25Å; E618-Y671 WeakPolarHBondContact CA-OH 3.21Å; E618-Y671 HydrophobicContact CB-CE2 4.19Å; E618-Y671 VanDerWaalsContact CB-OH 3.27Å; E618-Y671 WeakPolarHBondContact CB-OH 3.47Å; E618-Y671 WeakPolarHBondContact CG-OH 3.5Å; I621-Y671 HydrophobicContact CB-CE2 4.36Å; I621-Y671 WeakPolarHBondContact CD1-OH 3.44Å; I621-Y671 HydrophobicContact CG2-CE2 4.15Å; V622-Y671 HydrophobicContact CG2-CD2 3.9Å; V622-Y671 HydrophobicContact CG2-CE2 3.98Å; P667-Y671 WeakPolarHBondContact O-CB 3.42Å; P667-Y671 PolarHBondContact O-N 3.4Å; S668-Y671 PolarHBondContact O-N 3.15Å; Y671-Q673 PolarHBondContact O-N 3.48Å; Y671-I674 PolarHBondContact O-N 2.87Å; Y671-E675 HydrophobicContact CE1-CB 4.39Å; Y671-E675 WeakPolarHBondContact O-CB 3.5Å; Y671-E675 PolarHBondContact O-N 3.11Å
672L83Confident78.7Confident88 Ų8858.3 Ų58.346%0.46130%0.302SS..Hα-helixtrans-62.4-32.9177.7-74.4170.9000112.3S668 V669 D670 K676S668-L672 WeakPolarHBondContact O-CG 3.45Å; S668-L672 PolarHBondContact O-N 3.37Å; V669-L672 PolarHBondContact O-N 3.02Å; D670-L672 PolarHBondContact O-N 3.31Å; L672-K676 WeakPolarHBondContact O-CB 3.37Å; L672-K676 VanDerWaalsContact O-CG 3.22Å; L672-K676 WeakPolarHBondContact O-CG 3.16Å; L672-K676 PolarHBondContact O-N 2.68Å; L672-K676 VanDerWaalsContact O-N 3.08Å
673Q80.2Confident78.5Confident116 Ų11659.5 Ų59.554%0.54231%0.308SS..Hα-helixtrans-70.9-44.3176-164.2170.7-3.300110.7V669 D670 Y671 K676 L677V669-Q673 WeakPolarHBondContact O-CB 3.4Å; V669-Q673 PolarHBondContact O-N 2.98Å; D670-Q673 WeakPolarHBondContact O-CB 3.38Å; D670-Q673 PolarHBondContact O-N 2.71Å; D670-Q673 VanDerWaalsContact O-N 3.14Å; Y671-Q673 PolarHBondContact O-N 3.48Å; Q673-K676 PolarHBondContact O-N 3.32Å; Q673-L677 HydrophobicContact CG-CD1 4.42Å; Q673-L677 WeakPolarHBondContact O-CB 3.35Å; Q673-L677 WeakPolarHBondContact O-CG 3.33Å; Q673-L677 PolarHBondContact O-N 3.31Å
674I80.1Confident77.7Confident12 Ų1262.9 Ų62.96%0.06233%0.326CS..Hα-helixtrans-59.4-47.9174.1-67164.7000110.7I621 Y625 D670 Y671 K676 L677 V678I621-I674 HydrophobicContact CG2-CG2 3.93Å; Y625-I674 HydrophobicContact CD1-CD1 3.82Å; Y625-I674 HydrophobicContact CD1-CG1 4.19Å; Y625-I674 HydrophobicContact CD1-CG2 4.3Å; Y625-I674 HydrophobicContact CD2-CG1 4.16Å; Y625-I674 HydrophobicContact CD2-CG2 3.98Å; Y625-I674 HydrophobicContact CE1-CD1 3.86Å; Y625-I674 HydrophobicContact CE1-CG1 4.24Å; Y625-I674 HydrophobicContact CE2-CG1 4.23Å; Y625-I674 HydrophobicContact CG-CD1 4.23Å; Y625-I674 HydrophobicContact CG-CG1 4.14Å; Y625-I674 HydrophobicContact CG-CG2 3.68Å; D670-I674 VanDerWaalsContact O-CG1 3.27Å; D670-I674 WeakPolarHBondContact O-CG1 3.32Å; D670-I674 PolarHBondContact O-N 2.9Å; Y671-I674 PolarHBondContact O-N 2.87Å; I674-K676 PolarHBondContact O-N 2.98Å; I674-L677 WeakPolarHBondContact O-CB 3.25Å; I674-L677 PolarHBondContact O-N 2.93Å; I674-L677 VanDerWaalsContact O-N 3.15Å; I674-V678 HydrophobicContact CG2-CG2 4.28Å; I674-V678 WeakPolarHBondContact O-CG2 3.45Å; I674-V678 PolarHBondContact O-N 2.94Å
675E83.1Confident76.6Confident60 Ų6065 Ų6528%0.2834%0.336SS..Hα-helixtrans-58.7-47.5178.4176.8177.1-156.300111.4I621 Y671 L677 V678 M679I621-E675 HydrophobicContact CD1-CG 4.06Å; I621-E675 HydrophobicContact CG2-CB 4.32Å; Y671-E675 HydrophobicContact CE1-CB 4.39Å; Y671-E675 WeakPolarHBondContact O-CB 3.5Å; Y671-E675 PolarHBondContact O-N 3.11Å; E675-L677 VanDerWaalsContact C-N 3.28Å; E675-L677 PolarHBondContact O-N 2.84Å; E675-V678 PolarHBondContact O-N 3.16Å; E675-M679 HydrophobicContact CG-CG 4.36Å; E675-M679 VanDerWaalsContact O-CB 3.3Å; E675-M679 WeakPolarHBondContact O-CB 3.09Å; E675-M679 VanDerWaalsContact O-CG 3.25Å; E675-M679 WeakPolarHBondContact O-CG 3.11Å; E675-M679 PolarHBondContact O-N 3.4Å
676K82.8Confident75.4Confident151 Ų15160.9 Ų60.966%0.65732%0.32SS*.Hα-helixtrans-60.2-38.9176.3-76172.5-176.2177.50112.2L672 Q673 I674 S680L672-K676 WeakPolarHBondContact O-CB 3.37Å; L672-K676 VanDerWaalsContact O-CG 3.22Å; L672-K676 WeakPolarHBondContact O-CG 3.16Å; L672-K676 PolarHBondContact O-N 2.68Å; L672-K676 VanDerWaalsContact O-N 3.08Å; Q673-K676 PolarHBondContact O-N 3.32Å; I674-K676 PolarHBondContact O-N 2.98Å; K676-S680 VanDerWaalsContact O-CB 3.26Å; K676-S680 WeakPolarHBondContact O-CB 3.5Å; K676-S680 PolarHBondContact O-N 3.3Å; K676-S680 PolarHBondContact O-OG 2.65Å
677L76.7Confident73.5Confident47 Ų4762 Ų6225%0.24633%0.33CS..Hα-helixtrans-68.4-47.2178.3-72.2168.3000111.7L649 Q673 I674 E675 M679 S680 T681L649-L677 HydrophobicContact CD2-CB 3.82Å; L649-L677 HydrophobicContact CD2-CD1 4.27Å; L649-L677 HydrophobicContact CD2-CG 4.49Å; Q673-L677 HydrophobicContact CG-CD1 4.42Å; Q673-L677 WeakPolarHBondContact O-CB 3.35Å; Q673-L677 WeakPolarHBondContact O-CG 3.33Å; Q673-L677 PolarHBondContact O-N 3.31Å; I674-L677 WeakPolarHBondContact O-CB 3.25Å; I674-L677 PolarHBondContact O-N 2.93Å; I674-L677 VanDerWaalsContact O-N 3.15Å; E675-L677 VanDerWaalsContact C-N 3.28Å; E675-L677 PolarHBondContact O-N 2.84Å; L677-M679 VanDerWaalsContact C-N 3.35Å; L677-M679 PolarHBondContact O-N 3.42Å; L677-S680 PolarHBondContact O-N 2.96Å; L677-S680 PolarHBondContact O-OG 3.06Å; L677-T681 WeakPolarHBondContact O-CG2 3.35Å; L677-T681 PolarHBondContact O-N 3Å; L677-T681 VanDerWaalsContact O-N 3.07Å; L677-T681 PolarHBondContact O-OG1 3.47Å
678V80.1Confident71.6Confident0 Ų064.9 Ų64.90%036%0.356CS..Hα-helixtrans-65.5-40.3178.9173.80000110.9I621 I624 I674 E675 T681 L682I621-V678 HydrophobicContact CG2-CB 4.49Å; I621-V678 HydrophobicContact CG2-CG2 4.32Å; I624-V678 HydrophobicContact CD1-CG1 4.38Å; I624-V678 HydrophobicContact CG2-CG1 3.9Å; I624-V678 HydrophobicContact CG2-CG2 4.07Å; I674-V678 HydrophobicContact CG2-CG2 4.28Å; I674-V678 WeakPolarHBondContact O-CG2 3.45Å; I674-V678 PolarHBondContact O-N 2.94Å; E675-V678 PolarHBondContact O-N 3.16Å; V678-T681 PolarHBondContact O-OG1 3.39Å; V678-L682 HydrophobicContact CG1-CD1 3.98Å; V678-L682 VanDerWaalsContact O-CG 3.28Å; V678-L682 WeakPolarHBondContact O-CG 3.18Å; V678-L682 PolarHBondContact O-N 2.8Å
679M80.5Confident69.5Low79 Ų7969.4 Ų69.439%0.38938%0.376SS..Hα-helixtrans-70.8-34.7178.6-70-63.3-127.200112.5E675 L677 N683E675-M679 HydrophobicContact CG-CG 4.36Å; E675-M679 VanDerWaalsContact O-CB 3.3Å; E675-M679 WeakPolarHBondContact O-CB 3.09Å; E675-M679 VanDerWaalsContact O-CG 3.25Å; E675-M679 WeakPolarHBondContact O-CG 3.11Å; E675-M679 PolarHBondContact O-N 3.4Å; L677-M679 VanDerWaalsContact C-N 3.35Å; L677-M679 PolarHBondContact O-N 3.42Å; M679-N683 VanDerWaalsContact O-CB 3.28Å; M679-N683 WeakPolarHBondContact O-CB 3.4Å; M679-N683 PolarHBondContact O-N 3.45Å; M679-N683 PolarHBondContact O-ND2 3.22Å; M679-N683 VanDerWaalsContact O-ND2 3.1Å
680S78.8Confident67.3Low40 Ų4069.2 Ų69.228%0.2837%0.372SS..Hα-helixtrans-70-39.1176.970.60000112.1K676 L677 N683 N684K676-S680 VanDerWaalsContact O-CB 3.26Å; K676-S680 WeakPolarHBondContact O-CB 3.5Å; K676-S680 PolarHBondContact O-N 3.3Å; K676-S680 PolarHBondContact O-OG 2.65Å; L677-S680 PolarHBondContact O-N 2.96Å; L677-S680 PolarHBondContact O-OG 3.06Å; S680-N683 PolarHBondContact O-N 2.95Å; S680-N684 WeakPolarHBondContact O-CB 3.39Å; S680-N684 PolarHBondContact O-N 3.38Å; S680-N684 VanDerWaalsContact O-N 3.15Å; S680-N684 PolarHBondContact O-ND2 3.26Å
681T74.5Confident65Low13 Ų1374.8 Ų74.88%0.0840%0.401CS..Hα-helixtrans-67.4-36.7177.953.30000112.9W571 L649 L677 V678W571-T681 PolarHBondContact NE1-O 3.45Å; L649-T681 HydrophobicContact CD1-CG2 3.73Å; L649-T681 HydrophobicContact CG-CG2 3.82Å; L677-T681 WeakPolarHBondContact O-CG2 3.35Å; L677-T681 PolarHBondContact O-N 3Å; L677-T681 VanDerWaalsContact O-N 3.07Å; L677-T681 PolarHBondContact O-OG1 3.47Å; V678-T681 PolarHBondContact O-OG1 3.39Å
682L77.4Confident62.7Low18 Ų1881 Ų819%0.09444%0.436CS..Hα-helixtrans-74-36.7176.6-67.2173.7000112.6L564 Y568 W571 V678L564-L682 HydrophobicContact CD1-CD1 3.63Å; Y568-L682 HydrophobicContact CD2-CD2 4.39Å; W571-L682 HydrophobicContact CB-CD2 4.03Å; W571-L682 HydrophobicContact CD2-CD2 4.42Å; W571-L682 HydrophobicContact CG-CD2 4.05Å; V678-L682 HydrophobicContact CG1-CD1 3.98Å; V678-L682 VanDerWaalsContact O-CG 3.28Å; V678-L682 WeakPolarHBondContact O-CG 3.18Å; V678-L682 PolarHBondContact O-N 2.8Å
683N72.4Confident60.3Low85 Ų8582.1 Ų82.146%0.45544%0.442SS..Hα-helixtrans-77.1-32.6-176.7-74.9-25.8000113.9M679 S680 N685 N686M679-N683 VanDerWaalsContact O-CB 3.28Å; M679-N683 WeakPolarHBondContact O-CB 3.4Å; M679-N683 PolarHBondContact O-N 3.45Å; M679-N683 PolarHBondContact O-ND2 3.22Å; M679-N683 VanDerWaalsContact O-ND2 3.1Å; S680-N683 PolarHBondContact O-N 2.95Å; N683-N685 PolarHBondContact O-N 3.36Å; N683-N686 PolarHBondContact O-N 3.48Å
684N62.4Low58Low100 Ų10083.2 Ų83.254%0.53545%0.452SS..THydrogen-bonded Turntrans-63.4-14.7-175.4-76.6-16.9000114.4S680 T687S680-N684 WeakPolarHBondContact O-CB 3.39Å; S680-N684 PolarHBondContact O-N 3.38Å; S680-N684 VanDerWaalsContact O-N 3.15Å; S680-N684 PolarHBondContact O-ND2 3.26Å; N684-T687 PolarHBondContact O-OG1 3.38Å
685N52.8Low55.7Low68 Ų6885.3 Ų85.336%0.36448%0.476SS..THydrogen-bonded Turntrans-96.3-12.1-180-73.13000114.3W571 Q575 N683 T687W571-N685 PolarHBondContact NE1-ND2 3.01Å; Q575-N685 PolarHBondContact NE2-ND2 3.42Å; N683-N685 PolarHBondContact O-N 3.36Å; N685-T687 VanDerWaalsContact C-N 3.27Å; N685-T687 PolarHBondContact O-N 2.87Å
686N44.9Very low53.3Low80 Ų8091.2 Ų91.243%0.42850%0.498SS..THydrogen-bonded Turntrans-78-8.4-179.1-76.4-15.9000113.7N683 A688N683-N686 PolarHBondContact O-N 3.48Å; N686-A688 VanDerWaalsContact C-N 3.33Å
687T38.8Very low51Low133 Ų13388.8 Ų88.882%0.81649%0.491SS*.THydrogen-bonded Turntrans-83.1-6.5177.549.80000113.9N684 N685N684-T687 PolarHBondContact O-OG1 3.38Å; N685-T687 VanDerWaalsContact C-N 3.27Å; N685-T687 PolarHBondContact O-N 2.87Å
688A36.9Very low48.8Very low75 Ų7593 Ų9362%0.6251%0.514SS*.SBendtrans-100.6-16.2-17700000114.7N686N686-A688 VanDerWaalsContact C-N 3.33Å
689N32.9Very low46.4Very low139 Ų139102.9 Ų102.974%0.74355%0.551SS**SBendtrans-156.293.6179.4-67.5-58.6000108.8
690I33.5Very low44.2Very low85 Ų85105.5 Ų105.544%0.43656%0.561SS.*  trans177.594.1154.3-82.6139.7000105.2D693I690-D693 HydrophobicContact CG2-CB 3.84Å
691D31.4Very low42.1Very low161 Ų161113.1 Ų113.186%0.86159%0.589SS**SBendtrans-91.21.7163.7-87.7-34.6000112
692D33Very low39.9Very low151 Ų151119.8 Ų119.881%0.80762%0.619SS**SBendtrans-1331.5-169.4-77.4-40.2000118.3
693D34.1Very low37.4Very low111 Ų111125.6 Ų125.659%0.59465%0.65SS**  trans-127.431.9-172.3-81.6-35000115.8I690 G695I690-D693 HydrophobicContact CG2-CB 3.84Å; D693-G695 PolarHBondContact O-N 3.33Å
694N30.5Very low35.2Very low139 Ų139127.9 Ų127.974%0.74367%0.669SS**THydrogen-bonded Turntrans-69.410.1178-76.9-38.7000115.5
695G31.8Very low33.5Very low56 Ų56127.5 Ų127.558%0.57768%0.675SS**THydrogen-bonded Turntrans-87.5-22.8-178.700000116.1D693D693-G695 PolarHBondContact O-N 3.33Å
696Y33.2Very low32.3Very low185 Ų185131.9 Ų131.973%0.72570%0.698SS**SBendtrans-101.7-20.6-166-75.7-83.1000115.4
697L34.1Very low31.5Very low99 Ų99133.4 Ų133.452%0.51871%0.711SS.*G310 helixtrans-81.3-22.4-173.8-133.780.3000114.3
698N30.2Very low30.9Very low136 Ų136138 Ų13873%0.72772%0.715SS**G310 helixtrans-83.6-7.6-177.7-80.6-23.5000114.8
699R31Very low30.4Very low208 Ų208143.7 Ų143.779%0.78573%0.725SS**G310 helixtrans-82.6-13.7177.4-83.3-172-174.9-178.13114.8K701R699-K701 PolarHBondContact O-N 2.94Å
700F33.5Very low30Very low133 Ų133146.9 Ų146.958%0.58373%0.733SS**G310 helixtrans-79.21.1-177.9-81-80.6000114.6
701K35.1Very low29.7Very low200 Ų200148.8 Ų148.887%0.8775%0.748SS**G310 helixtrans-118.65.5-179.7-77-172.7174.7-179.50114.9R699R699-K701 PolarHBondContact O-N 2.94Å
702Q27.6Very low29.2Very low154 Ų154149.7 Ų149.772%0.7275%0.747SS**SBendtrans-134.6117.5178.7-72.2178.5-13.300110.9
703D25Very low29Very low139 Ų139150.2 Ų150.274%0.74375%0.749SS**  trans81.4107.1159.3-51.9-27.5000119.6S705D703-S705 PolarHBondContact O-N 3.28Å
704P26.3Very low28.5Very low133 Ų133153.2 Ų153.286%0.86476%0.759SS**SBendtrans-90.581.5154.834.8-23.9000108.4
705S27.4Very low28.2Very low93 Ų93151.9 Ų151.965%0.6576%0.758SS**  trans178.771.5159.547.20000111.8D703D703-S705 PolarHBondContact O-N 3.28Å
706N26.4Very low27.9Very low159 Ų159157.5 Ų157.585%0.8577%0.774SS**  trans-176.1128.3142.2-105.1-35.8000115.1
707T28.1Very low27.4Very low112 Ų112156 Ų15669%0.68778%0.778SS**  trans7693.4144.2-21.60000118.9K709T707-K709 PolarHBondContact O-N 3.42Å
708Y26.1Very low26.9Very low230 Ų230156 Ų15690%0.90279%0.786SS**  trans-31.5122.6144.2-67.1-91.6000113.6
709K27.8Very low26.8Very low195 Ų195154.1 Ų154.185%0.84878%0.784SS**  trans-145.3111.8147.7-105.3177.8-177.1177.70109.1T707 V711T707-K709 PolarHBondContact O-N 3.42Å; K709-V711 PolarHBondContact O-N 2.93Å
710K23.5Very low26.4Very low205 Ų205151 Ų15189%0.89179%0.788SS**  trans-47.7126.5169.2-74.7176.5170.9-176.70109.8
711V28.2Very low26.2Very low126 Ų126152.8 Ų152.876%0.76480%0.798SS**  trans-117.9109.7157.9178.50000106.3K709 L713K709-V711 PolarHBondContact O-N 2.93Å; V711-L713 HydrophobicContact CG1-CD1 4.49Å
712Q21.4Very low25.8Very low180 Ų180150 Ų15084%0.84179%0.792SS**  trans-68.5133.4169.1-70.6166.1-44.800108.4
713L27.6Very low25.7Very low162 Ų162149.4 Ų149.485%0.84879%0.793SS**  trans-122.7109.5163.4-102.9128.2000107.7V711V711-L713 HydrophobicContact CG1-CD1 4.49Å
714E23.7Very low25.7Very low173 Ų173148 Ų14881%0.80879%0.789SS**  trans-64.1142.6170.8-66.8-178.9148.900110.7L716E714-L716 PolarHBondContact O-N 3.42Å
715P24.6Very low25.7Very low111 Ų111147.9 Ų147.972%0.72178%0.781SS**  trans-8511017431.8-27.2000110L717P715-L717 PolarHBondContact O-N 3.15Å; P715-L717 VanDerWaalsContact O-N 3.14Å
716L25.3Very low25.6Very low175 Ų175150.5 Ų150.592%0.91679%0.788SS**  trans-76.898.1167.5-81.1164.2000109.8E714E714-L716 PolarHBondContact O-N 3.42Å
717L22.1Very low25.9Very low152 Ų152150.6 Ų150.680%0.79679%0.788SS**  trans-69.2147.3159.1-97.9154000110.5P715P715-L717 PolarHBondContact O-N 3.15Å; P715-L717 VanDerWaalsContact O-N 3.14Å
718S23.3Very low25.8Very low99 Ų99156.3 Ų156.369%0.69280%0.797SS**  trans90.4128.1144.879.30000119.4
719S28.3Very low25.8Very low98 Ų98152.3 Ų152.369%0.68579%0.792SS**  trans72.3100.3143.4140000118.4Q721S719-Q721 PolarHBondContact O-N 3.08Å; S719-Q721 VanDerWaalsContact O-N 3.17Å
720T24.1Very low25.7Very low141 Ų141149.8 Ų149.887%0.86579%0.787SS**  -19.9108125.812.90000113.1
721Q27.6Very low26Very low172 Ų172146.9 Ų146.980%0.80478%0.782SS**  trans-170.6129.3144-105.8173.142.800110.3S719S719-Q721 PolarHBondContact O-N 3.08Å; S719-Q721 VanDerWaalsContact O-N 3.17Å
722L27.3Very low26Very low141 Ų141147.7 Ų147.774%0.73878%0.781SS**  trans77.9101.3155-53.7159.4000115.9
723I25.6Very low26.2Very low142 Ų142143.4 Ų143.473%0.72877%0.772SS**  64105.778.5-60177.1000112.6
724T25.9Very low26.2Very low109 Ų109146.8 Ų146.867%0.66977%0.773SS**  trans76.6126.7145.762.80000121.8
725N24.6Very low26.5Very low131 Ų131146 Ų14670%0.70177%0.773SS**  trans72112.2130.6-68.60.1000118.2
726N26.2Very low26.7Very low148 Ų148149.1 Ų149.179%0.79178%0.776SS**  179.3131.385.6-95.1-37.8000112.2
727N32.7Very low26.8Very low160 Ų160148.5 Ų148.586%0.85677%0.766SS**  trans-57.1135.2156.7-83.7-34.9000109.6N729N727-N729 PolarHBondContact O-N 3.31Å
728R25.9Very low27.1Very low233 Ų233151.8 Ų151.888%0.87977%0.769SS**  trans-54.6125.8162.8-70.2170.6170.1164.5-3.4108.8
729N27.3Very low27.2Very low146 Ų146152.2 Ų152.278%0.78177%0.768SS**  trans-179.6122.8133.2-84.1-22000109.7N727N727-N729 PolarHBondContact O-N 3.31Å
730N25.3Very low27.1Very low142 Ų142155.4 Ų155.476%0.75977%0.772SS**  trans67.9146.3154.7-61-16.7000120
731D29.6Very low27Very low144 Ų144156 Ų15677%0.7777%0.765SS**  trans96.5101.9161-50.1-21.8000118
732D28.2Very low27Very low142 Ų142155.6 Ų155.676%0.75977%0.768SS**  trans69.4100130.6-65.7-17.7000121.6
733S24.7Very low26.8Very low91 Ų91154.3 Ų154.364%0.63677%0.771SS**  50.4131.4113.884.20000121.5
734R28Very low26.7Very low232 Ų232150.9 Ų150.988%0.87577%0.77SS**  trans74.9134.5162.8-54.1169.1153.2171-5.9113.6
735L30.5Very low26.7Very low156 Ų156154.5 Ų154.582%0.81778%0.78SS**  cis-145.2131.225.7-84.787.9000107.2
736K28.2Very low26.5Very low177 Ų177159.5 Ų159.577%0.7779%0.789SS**  57.3111.283.8-82.4-173.7179174.60116.5
737K28.2Very low26.5Very low162 Ų162162.5 Ų162.570%0.70479%0.79SS**  79.9124.3128.4-65.9-178.4173.9-165.70119.5
738Y27.7Very low25.9Very low222 Ų222159.9 Ų159.987%0.87178%0.784SS**  173.187.2117-92.9-72.5000107.5
739T26.2Very low25.9Very low108 Ų108156.6 Ų156.666%0.66378%0.784SS**  41.7107.991.354.60000117.7
740Q24.7Very low25.7Very low165 Ų165155 Ų15577%0.77178%0.779SS**  57.2134.5120.7-90.8173.7-27.100122.7
741E23.7Very low25.6Very low153 Ų153153.1 Ų153.172%0.71578%0.777SS**  trans77.7112.2143.6-68.5170.9-167.900119.5
742N26.5Very low25.5Very low163 Ų163156.6 Ų156.687%0.87278%0.781SS**  -172.5145.5114.8-94.1-36.8000113.3
743S23Very low25.3Very low115 Ų115158.8 Ų158.880%0.80478%0.784SS**  trans-77.5156.6-177.745.70000113.8
744G24.7Very low25.4Very low69 Ų69165.4 Ų165.471%0.71180%0.795SS**  trans93.9107.1153.200000116.3
745Q26Very low25.4Very low185 Ų185159.7 Ų159.786%0.86479%0.786SS**  171.2130.4119.4-92.4173.45.500110.2
746R19.9Very low25.2Very low236 Ų236162.5 Ų162.589%0.89179%0.792SS**  trans-56133.5167.6-68.5168.5167.8158.4-4.6110.2
747Y25.9Very low25.2Very low211 Ų211161.1 Ų161.183%0.82779%0.788SS**  trans-153.3121.9137.5-83.2-71.2000110
748S20.4Very low25.2Very low105 Ų105160.6 Ų160.673%0.73479%0.788SS**  trans-61.5141.315848.80000110.5
749L25.4Very low25.4Very low165 Ų165157.5 Ų157.586%0.86479%0.786SS**  trans-168.4137143.3-103.1141.4000111.7
750T23.4Very low25.6Very low111 Ų111158.9 Ų158.968%0.68179%0.79SS**  trans-56.3160.7173.640.70000115
751S23.4Very low25.8Very low103 Ų103158.8 Ų158.872%0.7280%0.795SS**  trans64.7114.5149.447.20000119.1
752Y27.4Very low26.1Very low217 Ų217155.1 Ų155.185%0.85180%0.797SS**  trans-124.395.2150.3-106.2-85.5000110.3
753K23.7Very low26.4Very low189 Ų189154.3 Ų154.382%0.82279%0.793SS**  trans-58123.8139.6-90.8176.3170.3176.50106.8
754R27.6Very low26.7Very low229 Ų229155 Ų15586%0.86479%0.788SS**  trans-90.4101.8158.3-88.8-175.4179167.60.4108.2
755T26.8Very low27.1Very low113 Ų113157.7 Ų157.769%0.69379%0.786SS**  trans-63.9124.4157.937.90000109.3
756F26.3Very low27.3Very low215 Ų215157.7 Ų157.794%0.94378%0.783SS**  trans-69.5134.8157.3-87.9-92.8000108.5
757H28.9Very low27.6Very low148 Ų148152.8 Ų152.869%0.68578%0.783SS**  trans-106.3143.6176.4-112.4-77.4000108.9
758H28.9Very low27.8Very low150 Ų150147.7 Ų147.769%0.69478%0.778SS**  trans72.2104.3165-65.7-68000117.5
759D30.4Very low28.1Very low158 Ų158148.9 Ų148.985%0.84578%0.784SS**  -161.8149.2106.6-82.7-25.5000109.9
760D30.1Very low28.3Very low137 Ų137147.8 Ų147.873%0.73378%0.783SS**  trans-72.6168.4-163.5-71-53.9000115.9
761D30.1Very low28.2Very low163 Ų163147.2 Ų147.287%0.87278%0.784SS**  trans85111.1156.5-61.8-28.5000121
762G30.3Very low28.4Very low75 Ų75148.3 Ų148.377%0.77379%0.786SS**  115.5106.212500000119
763N31.3Very low28.4Very low146 Ų146144.1 Ų144.178%0.78178%0.783SS**  trans82.797147.9-93-21000121.7
764N29.8Very low28.5Very low129 Ų129143 Ų14369%0.6978%0.781SS**  56.6105.7109.3-74.2-28.5000120.9
765N32.3Very low28.4Very low126 Ų126139.9 Ų139.967%0.67478%0.781SS**  147.5108115.2-79.6-33.9000111.2
766K30.3Very low28.3Very low186 Ų186141 Ų14181%0.80978%0.784SS**  63.2113.1101-72.3177.7177173.80112.3
767C27.9Very low28.5Very low132 Ų132137.5 Ų137.589%0.89278%0.775SS**  -158.7159.270.7-84.20000114.4
768S28.9Very low28.6Very low104 Ų104137.5 Ų137.573%0.72778%0.779SS**  trans-91.1164.8-159.544.40000117.8
769P27.5Very low28.7Very low130 Ų130136.1 Ų136.184%0.84478%0.782SS**  trans-95.3157.6165.936.9-28.9000113
770V28.4Very low28.5Very low142 Ų142135.5 Ų135.586%0.86178%0.778SS**  trans-132.1128.9176.6174.60000110.8
771S22.9Very low28.3Very low99 Ų99137.1 Ų137.169%0.69279%0.787SS**  trans-98.4-175.5170.649.60000111.5
772V26.2Very low28.2Very low127 Ų127136.6 Ų136.677%0.7778%0.783SS**  trans99.3124167.8-171.80000111.6
773T28.7Very low28Very low128 Ų128141.4 Ų141.479%0.78578%0.783SS**  cis-164.2160.623.510.50000112.5
774Q25.1Very low27.8Very low166 Ų166141 Ų14178%0.77678%0.778SS**  trans-54.5148.5173.9-64.5159.1-3600115.9
775N26.3Very low27.7Very low163 Ų163140.4 Ų140.487%0.87277%0.774SS**  -164.1141.9124.3-89.7-20.8000110.6
776N24.7Very low27.3Very low138 Ų138139.8 Ų139.874%0.73878%0.777SS**  trans-67.5148.3-168.9-54.6-42.5000113.8
777D30Very low27.2Very low141 Ų141136.6 Ų136.675%0.75477%0.773SS**  168.4141.9114.9-76.9-23.2000110.4
778D31.4Very low27.1Very low147 Ų147136.3 Ų136.379%0.78677%0.767SS**  trans73.791.2165.8-50.8-27.9000117.8
779V29.9Very low27Very low122 Ų122140.5 Ų140.574%0.73977%0.772SS**  77.611975.1179.40000112.9
780D26.4Very low27Very low144 Ų144139 Ų13977%0.7777%0.765SS**  trans81.882167.1-57.5-21.8000119.7
781D26.3Very low26.8Very low172 Ų172141.3 Ų141.392%0.9276%0.764SS**  trans-155.396.7140.8-98.7-24.7000109.2
782L27.5Very low26.9Very low151 Ų151145.1 Ų145.179%0.79177%0.768SS**  trans-144.3139.9176.2-122.1135.3000109
783F26.8Very low26.8Very low176 Ų176149 Ų14977%0.77277%0.769SS**  trans84.8124.1-178-57.4-75.7000114.8
784M26.7Very low26.6Very low138 Ų138148.5 Ų148.568%0.6877%0.766SS**  cis-163.1138.32.5-95.9-136.8143.400109.4
785I27.5Very low26.6Very low117 Ų117143.9 Ų143.960%0.676%0.756SS**  trans47.9122.4134.8-48.4178.8000118.2T787I785-T787 PolarHBondContact O-N 2.9Å; I785-T787 VanDerWaalsContact O-N 3.12Å
786P24.9Very low26.5Very low113 Ų113142.6 Ų142.673%0.73475%0.748SS**  trans-72.4108.5166.631.5-28.3000108.2T788P786-T788 VanDerWaalsContact C-N 3.3Å; P786-T788 PolarHBondContact O-N 2.88Å
787T27.9Very low26.5Very low118 Ų118141.9 Ų141.972%0.72475%0.745SS**  trans-73.392.6167.951.80000108.5I785 K789I785-T787 PolarHBondContact O-N 2.9Å; I785-T787 VanDerWaalsContact O-N 3.12Å; T787-K789 VanDerWaalsContact C-N 3.28Å; T787-K789 PolarHBondContact O-N 3.3Å
788T26.1Very low26.3Very low126 Ų126143 Ų14377%0.77375%0.745SS**  trans-54.795.8150.248.60000107.6P786 S790P786-T788 VanDerWaalsContact C-N 3.3Å; P786-T788 PolarHBondContact O-N 2.88Å; T788-S790 VanDerWaalsContact C-N 3.27Å; T788-S790 PolarHBondContact O-N 3.06Å; T788-S790 VanDerWaalsContact O-N 3.08Å
789K26.8Very low26Very low192 Ų192140.1 Ų140.184%0.83574%0.737SS**  trans-76.193.2161.4-85.8-172.5177-179.90106.6T787 F791T787-K789 VanDerWaalsContact C-N 3.28Å; T787-K789 PolarHBondContact O-N 3.3Å; K789-F791 PolarHBondContact O-N 3.16Å
790S26.6Very low25.9Very low100 Ų100140 Ų14070%0.69974%0.736SS**  trans-47.2126.7155.637.10000109T788 K792T788-S790 VanDerWaalsContact C-N 3.27Å; T788-S790 PolarHBondContact O-N 3.06Å; T788-S790 VanDerWaalsContact O-N 3.08Å; S790-K792 PolarHBondContact O-N 3.33Å
791F24.8Very low25.9Very low190 Ų190140.6 Ų140.683%0.83374%0.739SS**  trans-54.1108.6163.9-94.2-97000107.9K789K789-F791 PolarHBondContact O-N 3.16Å
792K23.6Very low25.8Very low179 Ų179139.2 Ų139.278%0.77873%0.73SS**  trans-105.1101.9164.6-131.9-179.7-175.1-177.70105.9S790 T794S790-K792 PolarHBondContact O-N 3.33Å; K792-T794 VanDerWaalsContact C-N 3.34Å; K792-T794 PolarHBondContact O-N 3.02Å
793W24.3Very low25.8Very low208 Ų208139.7 Ų139.779%0.78873%0.728SS**  trans-63.899.2162.5-90.664.7000107.3A795W793-A795 PolarHBondContact O-N 3.3Å
794T24.9Very low25.7Very low118 Ų118137.1 Ų137.172%0.72472%0.722SS**  trans-84.592.1160.526.70000107.8K792 L796K792-T794 VanDerWaalsContact C-N 3.34Å; K792-T794 PolarHBondContact O-N 3.02Å; T794-L796 PolarHBondContact O-N 2.87Å; T794-L796 VanDerWaalsContact O-N 3.12Å
795A24.7Very low25.8Very low69 Ų69137.2 Ų137.257%0.5773%0.725SS**  trans-62.3101.8157.400000108.3W793 N797W793-A795 PolarHBondContact O-N 3.3Å; A795-N797 PolarHBondContact O-N 3.07Å
796L25.8Very low25.7Very low135 Ų135138.6 Ų138.671%0.70773%0.733SS**  trans-88.782164.9-96.1156.2000107.9T794 H798T794-L796 PolarHBondContact O-N 2.87Å; T794-L796 VanDerWaalsContact O-N 3.12Å; L796-H798 PolarHBondContact O-N 2.96Å
797N24Very low25.9Very low124 Ų124139.1 Ų139.166%0.66373%0.734SS**  trans-69.5103.3154.7-79.4-22.1000107.4A795 S799A795-N797 PolarHBondContact O-N 3.07Å; N797-S799 VanDerWaalsContact C-N 3.33Å; N797-S799 PolarHBondContact O-N 3.02Å
798H25.3Very low25.9Very low163 Ų163139 Ų13976%0.75573%0.733SS**  trans-84.582.7159.6-94.1-67.8000108.7L796L796-H798 PolarHBondContact O-N 2.96Å
799S24.7Very low26.1Very low88 Ų88140.9 Ų140.962%0.61574%0.737SS**  trans-114.395.6156.16.70000106.5N797 D801N797-S799 VanDerWaalsContact C-N 3.33Å; N797-S799 PolarHBondContact O-N 3.02Å; S799-D801 PolarHBondContact O-N 3.49Å; S799-D801 VanDerWaalsContact O-N 3.16Å
800V28Very low26.1Very low119 Ų119138.4 Ų138.472%0.72173%0.733SS**  trans-78.392169.6176.10000106.5
801D26.4Very low26.3Very low157 Ų157139 Ų13984%0.8473%0.733SS**  trans-78.9115.3163.8-83.6-33.9000109.1S799 H803S799-D801 PolarHBondContact O-N 3.49Å; S799-D801 VanDerWaalsContact O-N 3.16Å; D801-H803 PolarHBondContact O-N 3Å
802I24.9Very low26.6Very low143 Ų143135.4 Ų135.473%0.73373%0.726SS**  trans-75.6111.4171.6-63.9164.9000107.3
803H26.3Very low26.8Very low160 Ų160133.2 Ų133.274%0.74172%0.723SS**  trans-162.5120.2148.2-103.5-56.2000113.3D801D801-H803 PolarHBondContact O-N 3Å
804N25.7Very low27.1Very low123 Ų123128.7 Ų128.766%0.65871%0.714SS**  trans60.8108.2138.9-58.8-5.8000119.7
805N28.7Very low27.2Very low139 Ų139130.8 Ų130.874%0.74372%0.716SS**  169.4102.1110.9-82.2-25.7000108.3
806I26.1Very low27.5Very low147 Ų147134.6 Ų134.675%0.75473%0.725SS**  54.398.8100.2-57.4168000111.8
807T29.3Very low27.6Very low123 Ų123135.6 Ų135.676%0.75573%0.73SS**  -172.1102.5123.128.50000110.2
808T27.2Very low27.6Very low116 Ų116137 Ų13771%0.71274%0.738SS**  trans39.7115.7131.557.20000119.2
809I30.9Very low27.6Very low166 Ų166134.9 Ų134.985%0.85174%0.736SS**  -173.1101.8113.2-83.5146.9000107.9
810N25.3Very low27.7Very low139 Ų139137.5 Ų137.574%0.74374%0.744SS**  trans-1.2140.8140.3-65.6-8.9000115.8
811T31.5Very low27.8Very low114 Ų114139.2 Ų139.270%0.69975%0.747SS**  cis179154.739.12.80000108.4
812T30.5Very low27.8Very low114 Ų114139.4 Ų139.470%0.69975%0.748SS**  trans62.6128.115457.50000116
813D28.7Very low28.2Very low132 Ų132139.8 Ų139.871%0.70675%0.75SS**  cis179.7161.620.1-88.7-24.8000102
814N29.8Very low28.3Very low114 Ų114138.4 Ų138.461%0.6175%0.748SS**  cis-168.1140.8-4.6-111.3-45.4000102.2
815Q26.9Very low28.4Very low162 Ų162141.3 Ų141.376%0.75776%0.76SS**  trans49.4122.4141.6-55.8177.1-5.700118.8
816I31.1Very low28.4Very low148 Ų148141.3 Ų141.376%0.75976%0.76SS**  163.1123.7120.3-82.6158000109.7
817L27.9Very low28.4Very low157 Ų157142.9 Ų142.982%0.82276%0.761SS**  trans79.898.7157.6-68.8158.7000120
818N23.6Very low28.5Very low154 Ų154143 Ų14382%0.82476%0.764SS**  trans-44133143.4-73.1-29000111.8
819T25.2Very low28.5Very low118 Ų118144.9 Ų144.972%0.72477%0.769SS**  trans164.7146136.8400000110.1
820N26.8Very low28.3Very low143 Ų143149.1 Ų149.177%0.76577%0.774SS**  trans83.8109166.3-47.4-33000117
821I30.8Very low28.2Very low154 Ų154147.2 Ų147.279%0.7977%0.772SS**  -158.392123.2-79.1132.8000105.1I823I821-I823 HydrophobicContact CG2-CD1 4.13Å; I821-I823 HydrophobicContact CG2-CG1 3.85Å
822D27.1Very low27.9Very low162 Ų162150.7 Ų150.787%0.86678%0.777SS**  trans-93.9114.8161.6-83.3-35.6000107.3
823I32.6Very low27.8Very low151 Ų151154.1 Ų154.177%0.77479%0.785SS**  trans-92.697.8170.3-63.4173.3000106.8I821 M825I821-I823 HydrophobicContact CG2-CD1 4.13Å; I821-I823 HydrophobicContact CG2-CG1 3.85Å; I823-M825 PolarHBondContact O-N 2.81Å
824N27.9Very low27.8Very low130 Ų130156.6 Ų156.670%0.69580%0.797SS**  trans-66.8111.3173.5-107.1-26.4000110.5
825M27.9Very low27.5Very low184 Ų184155.8 Ų155.891%0.90680%0.801SS**  trans-100.695.2151.7-85.9-147.1168.300108.3I823I823-M825 PolarHBondContact O-N 2.81Å
826N29.2Very low27.4Very low139 Ų139152.8 Ų152.874%0.74380%0.798SS**  trans-89.9108.8171.4-90.7-19.8000110.6
827K26.9Very low27.2Very low181 Ų181152.7 Ų152.779%0.78780%0.799SS**  trans-68.9143.1147-72.3174.8173.7177.50108.6L829K827-L829 PolarHBondContact O-N 3.41Å
828P31.5Very low27.1Very low125 Ų125149.5 Ų149.581%0.81279%0.789SS**  trans-86.4108.3161.430.3-23.8000109.4
829L25.6Very low27.3Very low156 Ų156151.4 Ų151.482%0.81779%0.791SS**  trans-87.5108.9161-89.2157.5000107.7K827K827-L829 PolarHBondContact O-N 3.41Å
830W28Very low27.4Very low255 Ų255149.9 Ų149.997%0.96679%0.785SS**  trans-121.199.4161.4-79.8-16000110
831S22.9Very low27.4Very low99 Ų99150.6 Ų150.669%0.69279%0.787SS**  trans-148.9133.5145.777.60000109.7
832K25.6Very low27.2Very low186 Ų186148.5 Ų148.581%0.80979%0.786SS**  trans6997157.2-61.1176179.3176.80117.4
833H28Very low27.1Very low186 Ų186147.8 Ų147.886%0.86178%0.782SS**  -161106.4125.1-93.2-67.9000108.1
834L28Very low26.8Very low185 Ų185147.6 Ų147.697%0.96978%0.783SS**  trans-169.484.8149.3-98.4150.7000106.6
835S24.9Very low27Very low97 Ų97148.3 Ų148.368%0.67879%0.787SS**  trans-108139.1160.3450000107.4
836S24.9Very low27.3Very low99 Ų99146.3 Ų146.369%0.69278%0.779SS**  trans56.4110.615758.60000119
837N26.9Very low27.1Very low146 Ų146144.4 Ų144.478%0.78178%0.776SS**  167.499.3125.2-84.4-13.6000107.6
838S25.5Very low27.2Very low89 Ų89144 Ų14462%0.62278%0.779SS**  83.114793.666.40000113.1
839F28Very low27Very low194 Ų194141.3 Ų141.385%0.85176%0.764SS**  trans96.386.9-175.1-65.3-81.2000113.9
840S27.1Very low27.3Very low87 Ų87139.5 Ų139.561%0.60876%0.764SS**  81.1110.565.974.80000114.4
841I25.6Very low27.5Very low157 Ų157133.7 Ų133.781%0.80575%0.75SS**  47.8110.9126.1-55.5161.3000116.5
842S27.5Very low27.9Very low111 Ų111136 Ų13678%0.77676%0.755SS**  168.3144.4100.754.60000112.7
843N25.2Very low28.4Very low147 Ų147131.7 Ų131.779%0.78675%0.746SS**  trans-53.6165.6172.4-62.4-42.2000115.7
844N26.2Very low28.6Very low146 Ų146133 Ų13378%0.78175%0.75SS**  trans105.8117.2152.7-63.3-15.5000115.4
845D32.4Very low28.6Very low145 Ų145130.5 Ų130.578%0.77574%0.737SS**  trans134.6130.9145.5-69.2-13.3000110
846L32.8Very low28.6Very low143 Ų143132.1 Ų132.175%0.74974%0.738SS**  cis-167.6139.4-8.8-120.2146.5000103.5
847S25.6Very low28.9Very low98 Ų98133.8 Ų133.869%0.68575%0.745SS**  trans-39.6142.4163.949.20000114.7
848M29.7Very low29.1Very low173 Ų173132.4 Ų132.485%0.85274%0.741SS**  -168.6124.9115.9-96.2-147.378.200113.5
849S27Very low29.2Very low69 Ų69135.7 Ų135.748%0.48375%0.746SS.*  trans-44.5151.1170.150.50000120.9
850S31.9Very low29.1Very low118 Ų118133 Ų13383%0.82574%0.741SS**  -159.2101.1125.6-23.60000107.3
851I32.2Very low29.3Very low132 Ų132136.9 Ų136.968%0.67775%0.753SS**  59.7109.569-60.6179.9000109.8
852D32Very low29.2Very low148 Ų148137.8 Ų137.879%0.79175%0.754SS**  -165.4170.364.9-107.4-28.4000113.6
853P36.1Very low29.1Very low95 Ų95137.7 Ų137.762%0.61775%0.752SS**  trans-131.4-174.7-138.731.2-5.5000113.9
854F31.4Very low29Very low215 Ų215135.2 Ų135.294%0.94375%0.746SS**  -170134.6128.1-108.6-76.8000111.1
855N26.7Very low29.1Very low131 Ų131136.1 Ų136.170%0.70175%0.748SS**  trans-116.4153.1-160.3-130.2-9.3000110.4
856N25.6Very low29Very low131 Ų131135.6 Ų135.670%0.70175%0.745SS**  trans63.9120.5143.7-67.7-23.5000122.2
857T31.5Very low28.8Very low135 Ų135135.5 Ų135.583%0.82875%0.745SS**  -157.5107.1127.1-5.90000109.3
858V31.9Very low29.1Very low116 Ų116137.8 Ų137.870%0.70375%0.75SS**  83.6102.1109.5171.60000113.2
859Q26.9Very low29Very low158 Ų158138.1 Ų138.174%0.73875%0.746SS**  74.6126.886.3-94.1-178.6-9.100115.7
860N26.8Very low29.2Very low139 Ų139143.1 Ų143.174%0.74376%0.759SS**  trans73.5123.2158.2-53.3-21.4000115.7
861I30.9Very low29.2Very low167 Ų167143.2 Ų143.286%0.85675%0.751SS**  -154.8136.670.9-76.8152.8000110.7
862Q23.2Very low29.3Very low177 Ų177144.9 Ų144.983%0.82775%0.753SS**  trans-119.4158.5170.3-168.6168.2-11.700107
863C24.6Very low29.2Very low109 Ų109143.9 Ų143.974%0.73675%0.748SS**  trans81.8144.2174.8-54.40000115.1
864S24.3Very low29.1Very low94 Ų94144.9 Ų144.966%0.65775%0.748SS**  cis174.2157.6-2.443.40000106.6
865M26.9Very low29.3Very low166 Ų166140.8 Ų140.882%0.81874%0.736SS**  trans84.2129.7143.9-82.2172.4172.700122.1
866D31.9Very low29.6Very low134 Ų134140.4 Ų140.472%0.71773%0.734SS**  trans99.897.6137.7-58.5-12.6000121.8
867D27.6Very low29.8Very low141 Ų141140.3 Ų140.375%0.75473%0.733SS**  20.9124.9122.9-66.3-29.5000120
868N31.6Very low29.9Very low145 Ų145142.3 Ų142.378%0.77574%0.739SS**  160.5109.2118.4-84.8-59.4000110.6
869K28.2Very low30Very low180 Ų180143.1 Ų143.178%0.78374%0.739SS**  79.8128.888.1-124.6175.5-169.1168.10115.4
870K31.6Very low30.1Very low174 Ų174142.4 Ų142.476%0.75774%0.739SS**  trans85.6140.6159.2-59.6-178.2175.6178.90116.3
871D31.1Very low30.3Very low121 Ų121142.6 Ų142.665%0.64774%0.739SS**  cis-176.7148.3-4-107.3-24.8000106.2
872K34.6Very low30Very low167 Ų167139.3 Ų139.373%0.72673%0.731SS**  trans80.2111.6146.2-69.6172.8-178.4-173.80120.1
873N30.8Very low30.3Very low127 Ų127139.6 Ų139.668%0.67973%0.729SS**  92.6140.892.8-78.631.6000110
874D33.1Very low30.4Very low116 Ų116137.6 Ų137.662%0.6273%0.728SS**  cis-172.6159.55.4-96.1-18.8000106.3
875D35.8Very low30.6Very low128 Ų128142 Ų14268%0.68474%0.735SS**  trans80.4104.7144.4-58.6-9.9000123
876D33.4Very low30.5Very low124 Ų124141.3 Ų141.366%0.66374%0.735SS**  88.2118.6107.8-73.1-1.6000124.1
877N29.3Very low30.2Very low128 Ų128142.8 Ų142.868%0.68474%0.739SS**  trans71.9104131.6-60.3-35.2000119.6
878D34.1Very low30.2Very low178 Ų178143.6 Ų143.695%0.95274%0.743SS**  trans-111.4121.5154.8-90-32.3000111
879D34.3Very low30Very low132 Ų132145 Ų14571%0.70675%0.747SS**  trans-72.5151.5177.9-75.8-49.5000113.9
880I27.8Very low30.1Very low143 Ų143142.6 Ų142.673%0.73375%0.747SS**  30.1121.6127.1-48.4166.3000116.2
881I31.6Very low29.9Very low144 Ų144141.5 Ų141.574%0.73875%0.75SS**  -176.1124.1128.9-87.8145.5000110.6F883I881-F883 HydrophobicContact CG2-CD2 3.99Å; I881-F883 HydrophobicContact CG2-CE2 4.29Å
882S24.4Very low30.1Very low98 Ų98141.7 Ų141.769%0.68576%0.76SS**  trans-46.5143.2160.853.30000114.2
883F30Very low29.8Very low182 Ų182141.7 Ų141.780%0.79876%0.763SS**  trans-159.8117.1142.4-105.2-75.2000111.3I881I881-F883 HydrophobicContact CG2-CD2 3.99Å; I881-F883 HydrophobicContact CG2-CE2 4.29Å
884G25.8Very low29.9Very low68 Ų68142.5 Ų142.570%0.70177%0.768SS**  trans-75.5150.2158.600000110.1
885F29.5Very low29.9Very low186 Ų186145.7 Ų145.782%0.81678%0.783SS**  trans-134.5103.4171.4-125-90.8000110.2
886N25.2Very low29.7Very low152 Ų152147.4 Ų147.481%0.81379%0.791SS**  trans-87.6135.2154-107.9-19.8000107.3
887M24.6Very low29.5Very low164 Ų164150.9 Ų150.981%0.80880%0.8SS**  trans52.6112.2139.2-147.9172.6109.400118.3
888L28.3Very low29.5Very low159 Ų159156.4 Ų156.483%0.83281%0.811SS**  trans-176.1126132.4-98.4153000111.9
889M26.7Very low29.5Very low174 Ų174153.7 Ų153.786%0.85780%0.803SS**  trans-63.8138.9161.2-67.6-99.8-91.800109.8
890T31Very low29.5Very low129 Ų129156 Ų15679%0.79182%0.815SS**  trans-174.4110.8145.227.60000110.4
891D27.1Very low29.7Very low152 Ų152158.6 Ų158.681%0.81382%0.821SS**  trans31.7120.1138-54.3-27.6000121.2
892S34.6Very low29.5Very low124 Ų124156.6 Ų156.687%0.86782%0.819SS**  trans-143.4102.6137.545.70000110.4
893E29.6Very low29.9Very low167 Ų167160.4 Ų160.478%0.7883%0.827SS**  trans-67.5157.4164.1-68.6-178.6138.100111.4
894N31.2Very low30.1Very low145 Ų145159.4 Ų159.478%0.77583%0.83SS**  trans109.885.4159.7-59.4-45.3000116
895I34.4Very low30.4Very low182 Ų182166.4 Ų166.493%0.93384%0.841SS**  -158.391.8125.4-81.4133.2000106.2
896L30.5Very low30.5Very low164 Ų164165.7 Ų165.786%0.85984%0.84SS**  trans-116.2143.7170.4-108.1164.3000107.9
897K30.6Very low31.1Very low198 Ų198165.1 Ų165.186%0.86184%0.836SS**  trans106.588.1167-60175.3-179.5177.30116.5
898R29.4Very low31.7Very low244 Ų244164.7 Ų164.792%0.92184%0.837SS**  trans-145.4121.1131.5-104.5179.5-176.2175.71109.5
899P34Very low31.9Very low120 Ų120168.8 Ų168.878%0.77986%0.858SS**PPolyproline II helixtrans-81.3129172.132.3-27.9000109.1K901P899-K901 PolarHBondContact O-N 3.09Å
900L33.4Very low32.2Very low181 Ų181168.6 Ų168.695%0.94886%0.858SS**PPolyproline II helixtrans-72118.9169.1-80.2156.3000108.6
901K32.1Very low32.2Very low197 Ų197170.6 Ų170.686%0.85786%0.862SS**PPolyproline II helixtrans-81.7140.3166.5-80.3-177.1174.6-177.10109.1P899P899-K901 PolarHBondContact O-N 3.09Å
902S27.6Very low32.5Very low102 Ų102171.7 Ų171.771%0.71387%0.865SS**PPolyproline II helixtrans-48.8131163.449.10000112.3
903E31.9Very low32.4Very low179 Ų179174.5 Ų174.584%0.83686%0.864SS**  trans178.5152.9140.6-95154.1-150.900107.1
904D35.3Very low32.6Very low161 Ų161174.9 Ų174.986%0.86187%0.87SS**  trans89.151.9-176.7-46.8-17.8000116.2
905F30.8Very low32.7Very low214 Ų214176.9 Ų176.994%0.93988%0.876SS**  trans-84.6107.4136.9-95.5-89.5000107.3
906E33.1Very low32.6Very low172 Ų172176.6 Ų176.680%0.80487%0.872SS**  trans-172.4137.1147.4-115.1171.9-166.200111.1
907I37Very low32.7Very low139 Ų139177.5 Ų177.571%0.71387%0.873SS**  trans81.8117.5158.7-52.1152.8000113.4
908D36.8Very low32.9Very low155 Ų155175.8 Ų175.883%0.82987%0.874SS**  cis-146.5153.134-98.2-44.5000112.2
909L33.4Very low33.2Very low246 Ų246169.6 Ų169.6100%1.28887%0.87SS**  trans-53.40-178.6-94.9149.8000116.8

Retrieved 909 of 909 residues in 466.1 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).