PARE_ECOLI Loading...

DNA topoisomerase 4 subunit B

Topoisomerase IV is essential for chromosome segregation; it is the principal protein responsible for decatenating newly replicated chromosomes1. It relaxes supercoiled DNA2,3,4,5. MukB stimulates the relaxation activity of topoisomerase IV and also has a modest effect on decatenation6.

AlphaFold DB , UniProt , Accession P20083, Species ECOLI (Escherichia coli (strain K12)), Gene parE, Length 630 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
1M42.9Very low68.6Low237 Ų237133.2 Ų133.2100%1.16771%0.711SS**  0114.60-70.3179.8-167.800106.8Q3M1-Q3 PolarHBondContact O-N 3.32Å
2T45.6Very low69.8Low139 Ų139131.7 Ų131.785%0.85371%0.71SS**  trans-69.1110.417031.60000108T4T2-T4 PolarHBondContact O-N 2.83Å
3Q59.8Low70.7Confident195 Ų195126 Ų12691%0.91168%0.679SS**  trans-68109.5170.2-78.3-176.6-10.700107.9M1 Y5M1-Q3 PolarHBondContact O-N 3.32Å; Q3-Y5 PolarHBondContact O-N 3.44Å
4T56.5Low71.5Confident122 Ų122124.1 Ų124.175%0.74867%0.674SS**  trans-71.9112.2172.58.30000109T2 N6T2-T4 PolarHBondContact O-N 2.83Å; T4-N6 PolarHBondContact O-N 3.23Å
5Y75.6Confident72.4Confident190 Ų190119.1 Ų119.175%0.74566%0.662SS**  trans-82.896.4170-176.3-106.1000108.7Q3 A9 I10Q3-Y5 PolarHBondContact O-N 3.44Å; Y5-A9 HydrophobicContact CD2-CB 3.67Å; Y5-A9 HydrophobicContact CE2-CB 3.9Å; Y5-I10 WeakPolarHBondContact OH-CD1 3.28Å
6N82.1Confident73.6Confident77 Ų77112.1 Ų112.141%0.41262%0.623SS.*  trans-118.2-174.8176.768.3-8.9000110T4 D8 A9T4-N6 PolarHBondContact O-N 3.23Å; N6-D8 PolarHBondContact ND2-OD2 2.7Å; N6-D8 PolarHBondContact O-N 3.19Å; N6-D8 VanDerWaalsContact O-N 3.13Å; N6-D8 WeakPolarHBondContact OD1-CB 3.11Å; N6-D8 PolarHBondContact OD1-N 3.05Å; N6-A9 WeakPolarHBondContact O-CB 3.42Å; N6-A9 PolarHBondContact O-N 3.39Å
7A75.6Confident74.4Confident82 Ų82109.4 Ų109.468%0.67861%0.605SS**G310 helixtrans-55.9-28.8178.700000113.6A9 I10A7-A9 PolarHBondContact O-N 3.34Å; A7-I10 WeakPolarHBondContact O-CB 3.19Å; A7-I10 PolarHBondContact O-N 3.07Å
8D80Confident75.3Confident142 Ų142104.7 Ų104.776%0.75958%0.58SS**G310 helixtrans-67.2-17.6177.5-52.3-38.6000112.9N6 I10N6-D8 PolarHBondContact ND2-OD2 2.7Å; N6-D8 PolarHBondContact O-N 3.19Å; N6-D8 VanDerWaalsContact O-N 3.13Å; N6-D8 WeakPolarHBondContact OD1-CB 3.11Å; N6-D8 PolarHBondContact OD1-N 3.05Å; D8-I10 VanDerWaalsContact C-N 3.28Å
9A78.4Confident76.1Confident53 Ų5399.2 Ų99.244%0.43855%0.55SS..G310 helixtrans-81.3-3.7172.700000113.4Y5 N6 A7 E11Y5-A9 HydrophobicContact CD2-CB 3.67Å; Y5-A9 HydrophobicContact CE2-CB 3.9Å; N6-A9 WeakPolarHBondContact O-CB 3.42Å; N6-A9 PolarHBondContact O-N 3.39Å; A7-A9 PolarHBondContact O-N 3.34Å; A9-E11 PolarHBondContact O-N 2.83Å
10I78.6Confident76.9Confident100 Ų10097.7 Ų97.751%0.51354%0.535SS..  trans-88.9102.9173.9-51.8-57.5000109.2Y5 A7 D8Y5-I10 WeakPolarHBondContact OH-CD1 3.28Å; A7-I10 WeakPolarHBondContact O-CB 3.19Å; A7-I10 PolarHBondContact O-N 3.07Å; D8-I10 VanDerWaalsContact C-N 3.28Å
11E79.5Confident77.5Confident128 Ų12899.3 Ų99.360%0.59853%0.533SS*.  trans-85.4120.6176.2-167.9176.3-169.700110A9 L13 R21A9-E11 PolarHBondContact O-N 2.83Å; E11-L13 HydrophobicContact CG-CD2 3.95Å; E11-R21 IonicContact OE1-NH2 2.74Å; E11-R21 PolarHBondContact OE1-NH2 3.06Å; E11-R21 VanDerWaalsContact OE1-NH2 3.13Å
12V82.7Confident79.7Confident115 Ų11596.2 Ų96.270%0.69751%0.509SS*.  trans-99.2109.1172.4-179.60000108.1T14V12-T14 HydrophobicContact CG1-CG2 4.44Å
13L82.2Confident81.8Confident58 Ų5890.6 Ų90.630%0.30448%0.475SS..  trans-78.9123.7177.8-57.4178.1000109.5E11 E17 P18 R21E11-L13 HydrophobicContact CG-CD2 3.95Å; L13-E17 HydrophobicContact CB-CB 4.34Å; L13-E17 HydrophobicContact CD2-CG 3.98Å; L13-P18 HydrophobicContact CB-CB 4.34Å; L13-P18 HydrophobicContact CB-CG 3.65Å; L13-P18 HydrophobicContact CD1-CB 4.46Å; L13-R21 HydrophobicContact CD1-CB 4.15Å; L13-R21 HydrophobicContact CD1-CG 3.98Å; L13-R21 HydrophobicContact CD2-CG 4.33Å
14T81.3Confident83Confident100 Ų10083.9 Ų83.961%0.61346%0.457SS*.  trans-110157.9-176.957.20000112.7V12 L16 E17V12-T14 HydrophobicContact CG1-CG2 4.44Å; T14-L16 PolarHBondContact O-N 3.23Å; T14-E17 WeakPolarHBondContact O-CB 3.33Å; T14-E17 PolarHBondContact O-N 2.99Å
15G85.9Confident84.3Confident48 Ų4884.2 Ų84.250%0.49545%0.452SS..THydrogen-bonded Turntrans63.2-122177.400000112
16L90.3Very high84.7Confident7 Ų777.6 Ų77.64%0.03743%0.426CS..THydrogen-bonded Turntrans-1001.1179.8-57.7-176.7000113.9T14 P18 V19 R20 L91 L94 N120 A121T14-L16 PolarHBondContact O-N 3.23Å; L16-P18 VanDerWaalsContact C-CD 3.4Å; L16-V19 WeakPolarHBondContact O-CB 3.26Å; L16-V19 PolarHBondContact O-N 3.24Å; L16-V19 VanDerWaalsContact O-N 3.15Å; L16-R20 PolarHBondContact O-N 3.05Å; L16-L91 WeakPolarHBondContact CD1-O 3.1Å; L16-L94 HydrophobicContact CD2-CD2 4.01Å; L16-L94 HydrophobicContact CD2-CG 4.08Å; L16-N120 HydrophobicContact CD1-CB 4.39Å; L16-A121 HydrophobicContact CB-CB 3.88Å; L16-A121 HydrophobicContact CD1-CB 4.01Å; L16-A121 HydrophobicContact CG-CB 4.42Å
17E88.1Confident85Confident67 Ų6774.2 Ų74.231%0.31341%0.408SS..Hα-helixtrans-57.7-39.6177.9-162.9-179177.200114L13 T14 V19 R20 R21L13-E17 HydrophobicContact CB-CB 4.34Å; L13-E17 HydrophobicContact CD2-CG 3.98Å; T14-E17 WeakPolarHBondContact O-CB 3.33Å; T14-E17 PolarHBondContact O-N 2.99Å; E17-V19 PolarHBondContact O-N 3.19Å; E17-R20 PolarHBondContact O-N 3.2Å; E17-R21 HydrophobicContact CG-CG 4.1Å; E17-R21 WeakPolarHBondContact O-CG 3.42Å; E17-R21 PolarHBondContact O-N 3.26Å; E17-R21 IonicContact OE1-CZ 3.5Å; E17-R21 IonicContact OE1-NE 3.33Å; E17-R21 PolarHBondContact OE1-NE 3.42Å; E17-R21 IonicContact OE1-NH2 2.72Å; E17-R21 PolarHBondContact OE1-NH2 2.77Å
18P89.6Confident85.5Confident25 Ų2572.7 Ų72.716%0.16239%0.389CS..Hα-helixtrans-54.6-40175.3-21.428.3000113.2L13 L16 R21 R22L13-P18 HydrophobicContact CB-CB 4.34Å; L13-P18 HydrophobicContact CB-CG 3.65Å; L13-P18 HydrophobicContact CD1-CB 4.46Å; L16-P18 VanDerWaalsContact C-CD 3.4Å; P18-R21 PolarHBondContact O-N 3.26Å; P18-R22 PolarHBondContact O-N 3.41Å; P18-R22 VanDerWaalsContact O-N 3.07Å
19V91.1Very high86Confident0 Ų067.8 Ų67.80%036%0.364CS..Hα-helixtrans-67.3-46.7179.3-179.10000110.7L16 E17 R21 R22 P23 Y26 L94 V118 A121 L122L16-V19 WeakPolarHBondContact O-CB 3.26Å; L16-V19 PolarHBondContact O-N 3.24Å; L16-V19 VanDerWaalsContact O-N 3.15Å; E17-V19 PolarHBondContact O-N 3.19Å; V19-R21 VanDerWaalsContact C-N 3.3Å; V19-R21 PolarHBondContact O-N 2.93Å; V19-R22 CarbonylContact O-C 3.44Å; V19-R22 PolarHBondContact O-N 3.14Å; V19-P23 VanDerWaalsContact O-CA 3.22Å; V19-P23 WeakPolarHBondContact O-CA 3.35Å; V19-P23 WeakPolarHBondContact O-CD 3.27Å; V19-Y26 HydrophobicContact CB-CD2 4.2Å; V19-Y26 HydrophobicContact CB-CE2 4.38Å; V19-Y26 HydrophobicContact CG1-CD2 4.17Å; V19-Y26 HydrophobicContact CG1-CG 4.27Å; V19-Y26 HydrophobicContact CG2-CD1 4.11Å; V19-Y26 HydrophobicContact CG2-CD2 4.05Å; V19-Y26 HydrophobicContact CG2-CE1 4.11Å; V19-Y26 HydrophobicContact CG2-CE2 4.06Å; V19-Y26 HydrophobicContact CG2-CG 4.08Å; V19-L94 HydrophobicContact CG2-CD1 4.02Å; V19-L94 HydrophobicContact CG2-CD2 3.78Å; V19-L94 HydrophobicContact CG2-CG 4.44Å; V19-V118 HydrophobicContact CG1-CB 4.2Å; V19-V118 HydrophobicContact CG1-CG1 3.92Å; V19-V118 HydrophobicContact CG1-CG2 3.88Å; V19-V118 HydrophobicContact CG2-CG2 4.04Å; V19-A121 HydrophobicContact CB-CB 3.95Å; V19-A121 HydrophobicContact CG1-CB 3.76Å; V19-L122 HydrophobicContact CG1-CD1 4.18Å; V19-L122 HydrophobicContact CG1-CD2 4.1Å; V19-L122 HydrophobicContact CG1-CG 4.01Å
20R92.6Very high86.6Confident68 Ų6868 Ų6826%0.25736%0.36SS..Hα-helixtrans-64.7-33.5179.4-67.6-177.36695.2-4.1112.3L16 E17 A121 L122 N143 F173L16-R20 PolarHBondContact O-N 3.05Å; E17-R20 PolarHBondContact O-N 3.2Å; R20-A121 WeakPolarHBondContact CD-O 3.25Å; R20-A121 HydrophobicContact CG-CB 4.18Å; R20-A121 VanDerWaalsContact CG-O 3.29Å; R20-A121 WeakPolarHBondContact CG-O 3.46Å; R20-A121 PolarHBondContact NH1-O 3.04Å; R20-L122 HydrophobicContact CG-CD2 4.4Å; R20-N143 PolarHBondContact NH1-O 3.35Å; R20-F173 HydrophobicContact CB-CE1 4.4Å; R20-F173 HydrophobicContact CB-CZ 4.2Å; R20-F173 HydrophobicContact CG-CZ 4.26Å; R20-F173 VanDerWaalsContact O-CE1 3.3Å; R20-F173 WeakPolarHBondContact O-CE1 3.28Å
21R89.3Confident87.3Confident132 Ų13266.5 Ų66.550%0.49835%0.348SS..Hα-helixtrans-75.9-35.2178.4-68.5-68.6-169.5137.817.9113E11 L13 E17 P18 V19E11-R21 IonicContact OE1-NH2 2.74Å; E11-R21 PolarHBondContact OE1-NH2 3.06Å; E11-R21 VanDerWaalsContact OE1-NH2 3.13Å; L13-R21 HydrophobicContact CD1-CB 4.15Å; L13-R21 HydrophobicContact CD1-CG 3.98Å; L13-R21 HydrophobicContact CD2-CG 4.33Å; E17-R21 HydrophobicContact CG-CG 4.1Å; E17-R21 WeakPolarHBondContact O-CG 3.42Å; E17-R21 PolarHBondContact O-N 3.26Å; E17-R21 IonicContact OE1-CZ 3.5Å; E17-R21 IonicContact OE1-NE 3.33Å; E17-R21 PolarHBondContact OE1-NE 3.42Å; E17-R21 IonicContact OE1-NH2 2.72Å; E17-R21 PolarHBondContact OE1-NH2 2.77Å; P18-R21 PolarHBondContact O-N 3.26Å; V19-R21 VanDerWaalsContact C-N 3.3Å; V19-R21 PolarHBondContact O-N 2.93Å
22R88.2Confident88Confident173 Ų17360.4 Ų60.465%0.65332%0.319SS*.  trans-133.460.8-175.1-61.4-63.4-178-163.42.8111.8P18 V19 G24 M25 Y26P18-R22 PolarHBondContact O-N 3.41Å; P18-R22 VanDerWaalsContact O-N 3.07Å; V19-R22 CarbonylContact O-C 3.44Å; V19-R22 PolarHBondContact O-N 3.14Å; R22-G24 VanDerWaalsContact C-N 3.27Å; R22-G24 PolarHBondContact O-N 3.47Å; R22-M25 HydrophobicContact CB-CG 4.24Å; R22-M25 HydrophobicContact CB-SD 3.95Å; R22-M25 HydrophobicContact CG-SD 4.42Å; R22-M25 PolarHBondContact O-N 3.49Å; R22-M25 VanDerWaalsContact O-N 3.12Å; R22-Y26 WeakPolarHBondContact O-CD2 3.2Å
23P90Very high88.5Confident21 Ų2155.1 Ų55.114%0.13629%0.287CS..G310 helixtrans-59.7-35.2-172.923.6-34.7000113.2V19 M25 Y26 T27 T29 L122 F173V19-P23 VanDerWaalsContact O-CA 3.22Å; V19-P23 WeakPolarHBondContact O-CA 3.35Å; V19-P23 WeakPolarHBondContact O-CD 3.27Å; P23-M25 PolarHBondContact O-N 3.47Å; P23-M25 VanDerWaalsContact O-N 3.09Å; P23-Y26 PolarHBondContact O-N 3.24Å; P23-T27 PolarHBondContact O-N 2.68Å; P23-T29 HydrophobicContact CB-CG2 3.83Å; P23-T29 HydrophobicContact CG-CG2 4Å; P23-L122 HydrophobicContact CB-CD1 3.85Å; P23-L122 HydrophobicContact CB-CD2 4.01Å; P23-F173 HydrophobicContact CG-CD1 4.15Å
24G85.3Confident88.9Confident53 Ų5353.3 Ų53.355%0.54628%0.277SS..G310 helixtrans-61.5-17.1179.500000115.3R22 Y26R22-G24 VanDerWaalsContact C-N 3.27Å; R22-G24 PolarHBondContact O-N 3.47Å; G24-Y26 VanDerWaalsContact C-N 3.34Å
25M83.5Confident89.5Confident130 Ų13048.6 Ų48.664%0.6425%0.248SC*.G310 helixtrans-77.9-21.6172.6-66.2-177.565.700112.8R22 P23R22-M25 HydrophobicContact CB-CG 4.24Å; R22-M25 HydrophobicContact CB-SD 3.95Å; R22-M25 HydrophobicContact CG-SD 4.42Å; R22-M25 PolarHBondContact O-N 3.49Å; R22-M25 VanDerWaalsContact O-N 3.12Å; P23-M25 PolarHBondContact O-N 3.47Å; P23-M25 VanDerWaalsContact O-N 3.09Å
26Y84.6Confident89.9Confident51 Ų5146.3 Ų46.320%0.223%0.225CC..THydrogen-bonded Turntrans-112.8-27.3-171.2-60.5-85.8000113.1V19 R22 P23 G24 V118V19-Y26 HydrophobicContact CB-CD2 4.2Å; V19-Y26 HydrophobicContact CB-CE2 4.38Å; V19-Y26 HydrophobicContact CG1-CD2 4.17Å; V19-Y26 HydrophobicContact CG1-CG 4.27Å; V19-Y26 HydrophobicContact CG2-CD1 4.11Å; V19-Y26 HydrophobicContact CG2-CD2 4.05Å; V19-Y26 HydrophobicContact CG2-CE1 4.11Å; V19-Y26 HydrophobicContact CG2-CE2 4.06Å; V19-Y26 HydrophobicContact CG2-CG 4.08Å; R22-Y26 WeakPolarHBondContact O-CD2 3.2Å; P23-Y26 PolarHBondContact O-N 3.24Å; G24-Y26 VanDerWaalsContact C-N 3.34Å; Y26-V118 HydrophobicContact CD1-CG2 4.26Å; Y26-V118 HydrophobicContact CG-CG2 4.28Å
27T88Confident89.9Confident5 Ų548.4 Ų48.43%0.03123%0.234CC..SBendtrans-148.4158.8-177.4-170.50000112.3P23 T29 H34 L35 V118 L122P23-T27 PolarHBondContact O-N 2.68Å; T27-T29 HydrophobicContact CG2-CG2 4.38Å; T27-T29 PolarHBondContact O-N 3.3Å; T27-H34 WeakPolarHBondContact OG1-CB 3.38Å; T27-H34 PolarHBondContact OG1-ND1 2.89Å; T27-L35 HydrophobicContact CG2-CD2 4.39Å; T27-V118 HydrophobicContact CG2-CG1 4.42Å; T27-L122 HydrophobicContact CG2-CD1 3.46Å; T27-L122 VanDerWaalsContact CG2-CD1 3.46Å
28D86.4Confident90Very high51 Ų5145.9 Ų45.927%0.27322%0.222SC..  trans-64.2125.1162.1-178.6-1.9000109.4T30 H34D28-T30 VanDerWaalsContact CG-OG1 3.24Å; D28-T30 VanDerWaalsContact OD1-CB 3.31Å; D28-T30 WeakPolarHBondContact OD1-CB 3.31Å; D28-T30 VanDerWaalsContact OD1-CG2 3.3Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.24Å; D28-T30 PolarHBondContact OD1-N 2.87Å; D28-T30 PolarHBondContact OD1-OG1 3.15Å; D28-T30 PolarHBondContact OD2-OG1 3.37Å; D28-T30 VanDerWaalsContact OD2-OG1 3.09Å; D28-H34 HydrophobicContact CB-CB 4.02Å
29T90.7Very high90.2Very high39 Ų3944.8 Ų44.824%0.23922%0.215CC..SBendtrans-99.8-1.2-178.247.90000112.9P23 T27 R31 F174 D175P23-T29 HydrophobicContact CB-CG2 3.83Å; P23-T29 HydrophobicContact CG-CG2 4Å; T27-T29 HydrophobicContact CG2-CG2 4.38Å; T27-T29 PolarHBondContact O-N 3.3Å; T29-R31 PolarHBondContact O-N 3.46Å; T29-F174 VanDerWaalsContact O-CA 3.26Å; T29-F174 WeakPolarHBondContact O-CA 3.5Å; T29-D175 PolarHBondContact O-N 2.79Å
30T90.6Very high90.3Very high58 Ų5844.8 Ų44.836%0.35622%0.215SC..SBendtrans-65.7-40.2176.562.80000111.7D28 S176D28-T30 VanDerWaalsContact CG-OG1 3.24Å; D28-T30 VanDerWaalsContact OD1-CB 3.31Å; D28-T30 WeakPolarHBondContact OD1-CB 3.31Å; D28-T30 VanDerWaalsContact OD1-CG2 3.3Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.24Å; D28-T30 PolarHBondContact OD1-N 2.87Å; D28-T30 PolarHBondContact OD1-OG1 3.15Å; D28-T30 PolarHBondContact OD2-OG1 3.37Å; D28-T30 VanDerWaalsContact OD2-OG1 3.09Å; T30-S176 PolarHBondContact O-N 2.9Å; T30-S176 VanDerWaalsContact O-N 3.09Å
31R93.5Very high90.2Very high67 Ų6742.3 Ų42.325%0.25321%0.207SC..SBendtrans-153.2156.1179.5-60.1-173.280.3156.60.8110.4T29 N33 R178 F179T29-R31 PolarHBondContact O-N 3.46Å; R31-N33 WeakPolarHBondContact CB-OD1 3.31Å; R31-N33 PolarHBondContact O-N 2.94Å; R31-R178 PolarHBondContact NE-O 2.86Å; R31-R178 PolarHBondContact NH2-O 3.03Å; R31-F179 PolarHBondContact NH2-O 3.39Å
32P94.7Very high90.2Very high0 Ų037.7 Ų37.70%019%0.192CC..THydrogen-bonded Turntrans-71.54.9-179.330.6-37.8000114.7H34 L35 G36 P169 F174 S176 F179P32-H34 VanDerWaalsContact C-N 3.26Å; P32-H34 PolarHBondContact O-N 2.92Å; P32-L35 WeakPolarHBondContact O-CB 3.31Å; P32-L35 PolarHBondContact O-N 2.76Å; P32-G36 PolarHBondContact O-N 2.86Å; P32-P169 HydrophobicContact CB-CB 3.74Å; P32-P169 HydrophobicContact CB-CG 3.65Å; P32-P169 HydrophobicContact CG-CB 4.31Å; P32-P169 HydrophobicContact CG-CG 4.16Å; P32-F174 HydrophobicContact CB-CD1 4.41Å; P32-F174 HydrophobicContact CB-CD2 4.4Å; P32-F174 HydrophobicContact CB-CE1 4.21Å; P32-F174 HydrophobicContact CB-CE2 4.21Å; P32-F174 HydrophobicContact CB-CZ 4.12Å; P32-S176 VanDerWaalsContact CD-O 3.31Å; P32-S176 WeakPolarHBondContact CD-O 3.03Å; P32-F179 HydrophobicContact CB-CD1 4.43Å; P32-F179 HydrophobicContact CB-CE1 3.88Å; P32-F179 HydrophobicContact CB-CE2 4.22Å; P32-F179 HydrophobicContact CB-CZ 3.76Å; P32-F179 HydrophobicContact CG-CD1 4Å; P32-F179 HydrophobicContact CG-CD2 3.97Å; P32-F179 HydrophobicContact CG-CE1 3.92Å; P32-F179 HydrophobicContact CG-CE2 3.89Å; P32-F179 HydrophobicContact CG-CG 4.04Å; P32-F179 HydrophobicContact CG-CZ 3.86Å; P32-F179 WeakPolarHBondContact O-CE1 3.39Å
33N93.7Very high90.4Very high4 Ų429.6 Ų29.62%0.02116%0.162CC..Hα-helixtrans-53.1-40.1-178.2-78.886.9000113.5R31 L35 G36 Q37 S180R31-N33 WeakPolarHBondContact CB-OD1 3.31Å; R31-N33 PolarHBondContact O-N 2.94Å; N33-L35 VanDerWaalsContact C-N 3.35Å; N33-G36 PolarHBondContact O-N 3.13Å; N33-Q37 WeakPolarHBondContact O-CG 3.07Å; N33-Q37 PolarHBondContact O-N 3.38Å; N33-S180 PolarHBondContact ND2-N 3.45Å; N33-S180 PolarHBondContact ND2-O 3.49Å; N33-S180 WeakPolarHBondContact OD1-CB 3.42Å; N33-S180 PolarHBondContact OD1-N 2.92Å
34H89.8Confident90.4Very high21 Ų2128.6 Ų28.610%0.09716%0.156CC..Hα-helixtrans-68.4-32.8179.5-174-103.2000112.2T27 D28 P32 G36 Q37 E38T27-H34 WeakPolarHBondContact OG1-CB 3.38Å; T27-H34 PolarHBondContact OG1-ND1 2.89Å; D28-H34 HydrophobicContact CB-CB 4.02Å; P32-H34 VanDerWaalsContact C-N 3.26Å; P32-H34 PolarHBondContact O-N 2.92Å; H34-G36 VanDerWaalsContact C-N 3.34Å; H34-G36 PolarHBondContact O-N 2.68Å; H34-Q37 WeakPolarHBondContact O-CB 3.3Å; H34-Q37 PolarHBondContact O-N 2.73Å; H34-E38 IonicContact CE1-OE1 2.69Å; H34-E38 PolarHBondContact O-N 3.46Å; H34-E38 VanDerWaalsContact O-N 3.1Å
35L93.7Very high90.5Very high1 Ų126.2 Ų26.21%0.00513%0.13CC..Hα-helixtrans-60.4-45.2169.9-63.2-167000111.4T27 P32 N33 Q37 E38 V39 V118 V119 L122 F167 F174T27-L35 HydrophobicContact CG2-CD2 4.39Å; P32-L35 WeakPolarHBondContact O-CB 3.31Å; P32-L35 PolarHBondContact O-N 2.76Å; N33-L35 VanDerWaalsContact C-N 3.35Å; L35-Q37 VanDerWaalsContact C-N 3.32Å; L35-Q37 PolarHBondContact O-N 2.94Å; L35-E38 PolarHBondContact O-N 3.06Å; L35-V39 PolarHBondContact O-N 3.17Å; L35-V118 HydrophobicContact CD2-CG1 3.97Å; L35-V119 HydrophobicContact CB-CG2 4.08Å; L35-V119 HydrophobicContact CD2-CG2 4.18Å; L35-V119 WeakPolarHBondContact O-CG2 3.34Å; L35-L122 HydrophobicContact CD1-CB 4.12Å; L35-L122 HydrophobicContact CD2-CD1 4.38Å; L35-F167 HydrophobicContact CB-CE2 3.91Å; L35-F167 HydrophobicContact CB-CZ 4.3Å; L35-F167 HydrophobicContact CD1-CE2 4.42Å; L35-F174 HydrophobicContact CD1-CE2 4.11Å; L35-F174 HydrophobicContact CD1-CZ 3.56Å; L35-F174 HydrophobicContact CG-CZ 3.93Å
36G94Very high90.8Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-59.7-42.5175.800000112.5P32 N33 H34 E38 V39 I40P32-G36 PolarHBondContact O-N 2.86Å; N33-G36 PolarHBondContact O-N 3.13Å; H34-G36 VanDerWaalsContact C-N 3.34Å; H34-G36 PolarHBondContact O-N 2.68Å; G36-E38 VanDerWaalsContact C-N 3.34Å; G36-E38 PolarHBondContact O-N 3.2Å; G36-V39 PolarHBondContact O-N 3.47Å; G36-I40 WeakPolarHBondContact O-CB 3.45Å; G36-I40 VanDerWaalsContact O-CD1 3.31Å; G36-I40 WeakPolarHBondContact O-CD1 3.48Å; G36-I40 WeakPolarHBondContact O-CG1 3.18Å; G36-I40 PolarHBondContact O-N 3.35Å
37Q91.3Very high91Very high50 Ų5018.9 Ų18.923%0.23410%0.098CC..Hα-helixtrans-58.9-42.9176.6-70.8174.10.700112.2N33 H34 L35 V39 I40 D41 V187N33-Q37 WeakPolarHBondContact O-CG 3.07Å; N33-Q37 PolarHBondContact O-N 3.38Å; H34-Q37 WeakPolarHBondContact O-CB 3.3Å; H34-Q37 PolarHBondContact O-N 2.73Å; L35-Q37 VanDerWaalsContact C-N 3.32Å; L35-Q37 PolarHBondContact O-N 2.94Å; Q37-V39 VanDerWaalsContact C-N 3.32Å; Q37-V39 PolarHBondContact O-N 3.4Å; Q37-I40 PolarHBondContact O-N 3.33Å; Q37-D41 VanDerWaalsContact O-CB 3.25Å; Q37-D41 WeakPolarHBondContact O-CB 3.49Å; Q37-D41 PolarHBondContact O-N 2.83Å; Q37-V187 HydrophobicContact CG-CG1 4.35Å
38E90Very high90.7Very high14 Ų1421 Ų217%0.06511%0.109CC..Hα-helixtrans-60.9-39.3178.8-73.2-69.4167.400112.7H34 L35 G36 N42 G115 V119H34-E38 IonicContact CE1-OE1 2.69Å; H34-E38 PolarHBondContact O-N 3.46Å; H34-E38 VanDerWaalsContact O-N 3.1Å; L35-E38 PolarHBondContact O-N 3.06Å; G36-E38 VanDerWaalsContact C-N 3.34Å; G36-E38 PolarHBondContact O-N 3.2Å; E38-N42 VanDerWaalsContact O-CG 3.29Å; E38-N42 PolarHBondContact O-N 2.85Å; E38-N42 PolarHBondContact O-ND2 3.27Å; E38-G115 VanDerWaalsContact OE2-CA 3.22Å; E38-G115 WeakPolarHBondContact OE2-CA 3.44Å; E38-V119 HydrophobicContact CB-CG2 4.11Å
39V93.8Very high90.6Very high2 Ų220.3 Ų20.31%0.01211%0.11CC..Hα-helixtrans-70.4-46.2176.2-171.80000111L35 G36 Q37 D41 N42 S43 V67 I116 V119 V165 F167L35-V39 PolarHBondContact O-N 3.17Å; G36-V39 PolarHBondContact O-N 3.47Å; Q37-V39 VanDerWaalsContact C-N 3.32Å; Q37-V39 PolarHBondContact O-N 3.4Å; V39-D41 VanDerWaalsContact C-N 3.32Å; V39-D41 PolarHBondContact O-N 3.04Å; V39-N42 PolarHBondContact O-N 2.9Å; V39-S43 PolarHBondContact O-N 3.09Å; V39-V67 HydrophobicContact CB-CG2 4.08Å; V39-V67 HydrophobicContact CG1-CB 3.66Å; V39-V67 HydrophobicContact CG1-CG1 4.21Å; V39-V67 HydrophobicContact CG1-CG2 3.74Å; V39-I116 HydrophobicContact CG2-CD1 3.89Å; V39-V119 HydrophobicContact CG2-CB 4.43Å; V39-V119 HydrophobicContact CG2-CG1 4Å; V39-V119 HydrophobicContact CG2-CG2 3.88Å; V39-V165 HydrophobicContact CG1-CB 3.71Å; V39-V165 HydrophobicContact CG1-CG1 3.91Å; V39-V165 HydrophobicContact CG1-CG2 4.18Å; V39-V165 HydrophobicContact CG2-CG1 4.38Å; V39-F167 HydrophobicContact CB-CE1 4.44Å; V39-F167 HydrophobicContact CG2-CD1 4.16Å; V39-F167 HydrophobicContact CG2-CE1 3.78Å; V39-F167 HydrophobicContact CG2-CZ 4.45Å
40I93.6Very high90.4Very high1 Ų121.6 Ų21.61%0.00513%0.131CC..Hα-helixtrans-58.4-45.2177.7-67.5160.2000110.5G36 Q37 N42 S43 V44 V57 V67 L184 L188G36-I40 WeakPolarHBondContact O-CB 3.45Å; G36-I40 VanDerWaalsContact O-CD1 3.31Å; G36-I40 WeakPolarHBondContact O-CD1 3.48Å; G36-I40 WeakPolarHBondContact O-CG1 3.18Å; G36-I40 PolarHBondContact O-N 3.35Å; Q37-I40 PolarHBondContact O-N 3.33Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 2.92Å; I40-S43 PolarHBondContact O-N 2.88Å; I40-S43 VanDerWaalsContact O-N 3.13Å; I40-V44 HydrophobicContact CG2-CG2 4.06Å; I40-V44 VanDerWaalsContact O-CG2 3.31Å; I40-V44 WeakPolarHBondContact O-CG2 3.27Å; I40-V44 PolarHBondContact O-N 3.43Å; I40-V57 HydrophobicContact CD1-CG2 4.43Å; I40-V57 HydrophobicContact CG1-CG2 4.08Å; I40-V67 HydrophobicContact CG1-CG1 4.39Å; I40-V67 HydrophobicContact CG1-CG2 3.88Å; I40-L184 HydrophobicContact CD1-CD2 4.38Å; I40-L188 HydrophobicContact CD1-CD2 3.87Å; I40-L188 HydrophobicContact CD1-CG 4.49Å; I40-L188 HydrophobicContact CG1-CD2 4.25Å; I40-L188 HydrophobicContact CG2-CD2 3.89Å
41D88.8Confident90.5Very high15 Ų1523 Ų238%0.0813%0.133CC..Hα-helixtrans-62.2-36.6-178.8-77.93.4000111.9Q37 V39 V44 D45 K191Q37-D41 VanDerWaalsContact O-CB 3.25Å; Q37-D41 WeakPolarHBondContact O-CB 3.49Å; Q37-D41 PolarHBondContact O-N 2.83Å; V39-D41 VanDerWaalsContact C-N 3.32Å; V39-D41 PolarHBondContact O-N 3.04Å; D41-V44 PolarHBondContact O-N 2.9Å; D41-D45 WeakPolarHBondContact O-CB 3.49Å; D41-D45 VanDerWaalsContact O-CG 3.23Å; D41-D45 PolarHBondContact O-N 2.96Å; D41-K191 WeakPolarHBondContact OD1-CE 3.35Å; D41-K191 IonicContact OD1-NZ 3.82Å; D41-K191 PolarHBondContact OD1-NZ 3.45Å; D41-K191 IonicContact OD2-NZ 2.9Å
42N89.1Confident90.5Very high35 Ų3520 Ų2019%0.18712%0.123CC..Hα-helixtrans-63.5-43.6173.7-68.9-36.8000112.3E38 V39 I40 D45 E46 K99E38-N42 VanDerWaalsContact O-CG 3.29Å; E38-N42 PolarHBondContact O-N 2.85Å; E38-N42 PolarHBondContact O-ND2 3.27Å; V39-N42 PolarHBondContact O-N 2.9Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 2.92Å; N42-D45 PolarHBondContact O-N 2.78Å; N42-E46 PolarHBondContact O-N 3.05Å; N42-K99 PolarHBondContact OD1-NZ 2.87Å
43S92.3Very high90.5Very high4 Ų427.6 Ų27.63%0.02816%0.156CC..Hα-helixtrans-67.7-37.6177.1-69.70000112.2V39 I40 E46 A47 D69V39-S43 PolarHBondContact O-N 3.09Å; I40-S43 PolarHBondContact O-N 2.88Å; I40-S43 VanDerWaalsContact O-N 3.13Å; S43-E46 WeakPolarHBondContact O-CB 3.36Å; S43-E46 PolarHBondContact O-N 3.45Å; S43-A47 PolarHBondContact O-N 2.83Å; S43-D69 PolarHBondContact OG-OD2 3.25Å
44V90Very high90.6Very high0 Ų032.6 Ų32.60%017%0.174CC..Hα-helixtrans-74.3-30.5177.6-176.70000111.7I40 D41 E46 A47 L48 V55 K191 C195 I200 L270I40-V44 HydrophobicContact CG2-CG2 4.06Å; I40-V44 VanDerWaalsContact O-CG2 3.31Å; I40-V44 WeakPolarHBondContact O-CG2 3.27Å; I40-V44 PolarHBondContact O-N 3.43Å; D41-V44 PolarHBondContact O-N 2.9Å; V44-E46 VanDerWaalsContact C-N 3.26Å; V44-E46 PolarHBondContact O-N 3.47Å; V44-A47 CarbonylContact O-C 3.59Å; V44-A47 WeakPolarHBondContact O-CA 3.43Å; V44-A47 VanDerWaalsContact O-CB 3.28Å; V44-A47 WeakPolarHBondContact O-CB 3.45Å; V44-A47 PolarHBondContact O-N 3.06Å; V44-L48 PolarHBondContact O-N 3.12Å; V44-V55 HydrophobicContact CG2-CG2 4.47Å; V44-K191 HydrophobicContact CG1-CB 4.49Å; V44-K191 HydrophobicContact CG1-CD 4.42Å; V44-K191 HydrophobicContact CG2-CB 4.21Å; V44-K191 HydrophobicContact CG2-CG 4.37Å; V44-C195 WeakPolarHBondContact CG1-SG 3.44Å; V44-I200 HydrophobicContact CG2-CD1 4.45Å; V44-L270 HydrophobicContact CB-CD1 4.32Å; V44-L270 HydrophobicContact CG1-CD1 3.33Å
45D87.4Confident91Very high2 Ų231.6 Ų31.61%0.01117%0.17CC..Hα-helixtrans-61.3-33.6172.2-80.5-22000111.8D41 N42 A47 L48 A49 K99 Y105 G109D41-D45 WeakPolarHBondContact O-CB 3.49Å; D41-D45 VanDerWaalsContact O-CG 3.23Å; D41-D45 PolarHBondContact O-N 2.96Å; N42-D45 PolarHBondContact O-N 2.78Å; D45-A47 VanDerWaalsContact C-N 3.3Å; D45-L48 PolarHBondContact O-N 2.9Å; D45-A49 WeakPolarHBondContact O-CB 3.46Å; D45-A49 PolarHBondContact O-N 3.25Å; D45-K99 VanDerWaalsContact OD2-CE 3.31Å; D45-K99 WeakPolarHBondContact OD2-CE 3.31Å; D45-K99 IonicContact OD2-NZ 2.97Å; D45-K99 PolarHBondContact OD2-NZ 3.24Å; D45-Y105 HydrophobicContact CB-CD1 4.43Å; D45-Y105 HydrophobicContact CB-CE1 4.26Å; D45-G109 PolarHBondContact OD1-N 2.77Å
46E90.2Very high91.2Very high18 Ų1832.7 Ų32.78%0.08418%0.176CC..Hα-helixtrans-65.4-34.7170.1-75.1-69.6122.200112.1N42 S43 V44 A49 G50 H51 A52 R72 Y105N42-E46 PolarHBondContact O-N 3.05Å; S43-E46 WeakPolarHBondContact O-CB 3.36Å; S43-E46 PolarHBondContact O-N 3.45Å; V44-E46 VanDerWaalsContact C-N 3.26Å; V44-E46 PolarHBondContact O-N 3.47Å; E46-A49 PolarHBondContact O-N 2.86Å; E46-G50 PolarHBondContact O-N 2.96Å; E46-H51 WeakPolarHBondContact O-CB 3.45Å; E46-H51 PolarHBondContact O-N 2.89Å; E46-A52 HydrophobicContact CB-CB 4.06Å; E46-A52 PolarHBondContact O-N 3.26Å; E46-R72 IonicContact OE1-CZ 2.65Å; E46-R72 IonicContact OE1-NE 2.77Å; E46-R72 PolarHBondContact OE1-NE 2.58Å; E46-R72 IonicContact OE1-NH2 3.74Å; E46-R72 PolarHBondContact OE1-NH2 3.48Å; E46-R72 WeakPolarHBondContact OE2-CB 3.27Å; E46-R72 WeakPolarHBondContact OE2-CG 3.35Å; E46-R72 IonicContact OE2-CZ 2.74Å; E46-R72 PolarHBondContact OE2-N 2.89Å; E46-R72 IonicContact OE2-NE 2.71Å; E46-R72 PolarHBondContact OE2-NE 2.66Å; E46-R72 IonicContact OE2-NH2 3.2Å; E46-Y105 PolarHBondContact OE1-OH 3.34Å
47A88.4Confident91.4Very high9 Ų932.7 Ų32.77%0.07418%0.176CC..Hα-helixtrans-71.1-42.2176.600000111.6S43 V44 D45 A49 G50 A52 V198S43-A47 PolarHBondContact O-N 2.83Å; V44-A47 CarbonylContact O-C 3.59Å; V44-A47 WeakPolarHBondContact O-CA 3.43Å; V44-A47 VanDerWaalsContact O-CB 3.28Å; V44-A47 WeakPolarHBondContact O-CB 3.45Å; V44-A47 PolarHBondContact O-N 3.06Å; D45-A47 VanDerWaalsContact C-N 3.3Å; A47-A49 VanDerWaalsContact C-N 3.27Å; A47-A49 PolarHBondContact O-N 3.47Å; A47-G50 WeakPolarHBondContact O-CA 3.41Å; A47-G50 PolarHBondContact O-N 3.37Å; A47-A52 HydrophobicContact CB-CB 3.92Å; A47-V198 HydrophobicContact CB-CG1 4.09Å; A47-V198 HydrophobicContact CB-CG2 3.76Å
48L82Confident91.7Very high50 Ų5031.6 Ų31.626%0.26217%0.171SC..Hα-helixtrans-59.1-37.4172-79.5-179.7000112.9V44 D45 G50 L270V44-L48 PolarHBondContact O-N 3.12Å; D45-L48 PolarHBondContact O-N 2.9Å; L48-G50 PolarHBondContact O-N 3.12Å; L48-L270 HydrophobicContact CD1-CD1 3.26Å; L48-L270 HydrophobicContact CD1-CG 3.68Å; L48-L270 HydrophobicContact CD2-CD1 3.93Å; L48-L270 HydrophobicContact CD2-CD2 4.28Å; L48-L270 HydrophobicContact CD2-CG 4.26Å; L48-L270 HydrophobicContact CG-CD1 3.53Å; L48-L270 HydrophobicContact CG-CG 4.24Å
49A84.1Confident92.1Very high37 Ų3731 Ų3131%0.30617%0.168SC..THydrogen-bonded Turntrans-73-2.5174.400000113D45 E46 A47 Y105D45-A49 WeakPolarHBondContact O-CB 3.46Å; D45-A49 PolarHBondContact O-N 3.25Å; E46-A49 PolarHBondContact O-N 2.86Å; A47-A49 VanDerWaalsContact C-N 3.27Å; A47-A49 PolarHBondContact O-N 3.47Å; A49-Y105 HydrophobicContact CB-CD1 4.31Å; A49-Y105 HydrophobicContact CB-CE1 4.5Å
50G87.7Confident92.3Very high65 Ų6532.3 Ų32.367%0.6718%0.175SC*.THydrogen-bonded Turntrans80.416.9177.900000114.3E46 A47 L48E46-G50 PolarHBondContact O-N 2.96Å; A47-G50 WeakPolarHBondContact O-CA 3.41Å; A47-G50 PolarHBondContact O-N 3.37Å; L48-G50 PolarHBondContact O-N 3.12Å
51H91.9Very high92.4Very high88 Ų8835.8 Ų35.841%0.40720%0.203SC..  trans-102.2-25.9-176.5-65.1-59.9000114.3E46 R72E46-H51 WeakPolarHBondContact O-CB 3.45Å; E46-H51 PolarHBondContact O-N 2.89Å; H51-R72 HydrophobicContact CB-CG 3.8Å; H51-R72 VanDerWaalsContact CD2-CD 3.44Å; H51-R72 WeakPolarHBondContact CD2-CD 3.24Å; H51-R72 PolarHBondContact CD2-NE 2.92Å; H51-R72 PolarHBondContact CD2-NH1 3.36Å; H51-R72 VanDerWaalsContact CD2-NH1 3.32Å; H51-R72 PolarHBondContact NE2-NH1 3.23Å
52A93.3Very high92.7Very high4 Ų439.5 Ų39.53%0.03322%0.223CC..  trans-108.4146.6174.800000111.2E46 A47 D70E46-A52 HydrophobicContact CB-CB 4.06Å; E46-A52 PolarHBondContact O-N 3.26Å; A47-A52 HydrophobicContact CB-CB 3.92Å; A52-D70 WeakPolarHBondContact CA-OD1 3.11Å; A52-D70 VanDerWaalsContact CB-OD1 3.3Å; A52-D70 WeakPolarHBondContact CB-OD1 3.4Å
53K94.8Very high93Very high159 Ų15940 Ų4069%0.69122%0.224SC*.SBendtrans-120.9-14.1173.1-65.8-172.4177.4-172.40112.6D70 V198 E199K53-D70 PolarHBondContact N-OD1 2.78Å; K53-D70 PolarHBondContact N-OD2 2.87Å; K53-V198 WeakPolarHBondContact O-CA 3.36Å; K53-E199 PolarHBondContact O-N 2.77Å
54R96.7Very high93.3Very high109 Ų10939.8 Ų39.841%0.41122%0.223SC..EExtended strand (participates in β ladder)trans-140.1133.2-177.2-177.2172170.2178.7-3.2111.4D56 D69 D70 E199R54-D56 IonicContact CZ-OD1 2.76Å; R54-D56 VanDerWaalsContact CZ-OD1 3.23Å; R54-D56 IonicContact CZ-OD2 3.23Å; R54-D56 VanDerWaalsContact NE-CG 3.25Å; R54-D56 IonicContact NE-OD1 2.73Å; R54-D56 PolarHBondContact NE-OD1 3.15Å; R54-D56 IonicContact NE-OD2 2.89Å; R54-D56 PolarHBondContact NE-OD2 3.19Å; R54-D56 VanDerWaalsContact NH2-CG 3.34Å; R54-D56 IonicContact NH2-OD1 3.18Å; R54-D56 PolarHBondContact NH2-OD1 3.02Å; R54-D56 IonicContact NH2-OD2 3.72Å; R54-D56 PolarHBondContact NH2-OD2 3.2Å; R54-D69 WeakPolarHBondContact O-CA 3.24Å; R54-D70 PolarHBondContact N-OD1 2.82Å; R54-D70 PolarHBondContact N-OD2 2.88Å; R54-D70 PolarHBondContact O-N 3.2Å; R54-D70 VanDerWaalsContact O-OD1 3.13Å; R54-E199 CarbonylContact C-O 3.46Å; R54-E199 VanDerWaalsContact CA-O 3.28Å; R54-E199 WeakPolarHBondContact CA-O 3.39Å
55V97.3Very high93.7Very high0 Ų039.8 Ų39.80%022%0.223CC..EExtended strand (participates in β ladder)trans-127.1117.9170.6-176.90000108.6V44 V57 V67 I68 D69 E199 I200 T201V44-V55 HydrophobicContact CG2-CG2 4.47Å; V55-V57 HydrophobicContact CG1-CG2 4.25Å; V55-V67 HydrophobicContact CG1-CG1 4.07Å; V55-I68 CarbonylContact C-O 3.57Å; V55-I68 WeakPolarHBondContact CA-O 3.39Å; V55-D69 HydrophobicContact CG2-CB 4.46Å; V55-E199 PolarHBondContact N-O 3.34Å; V55-I200 HydrophobicContact CB-CG1 4.42Å; V55-I200 VanDerWaalsContact O-CA 3.3Å; V55-I200 WeakPolarHBondContact O-CA 3.42Å; V55-T201 PolarHBondContact O-N 3.43Å
56D98.1Very high94.2Very high25 Ų2541.2 Ų41.213%0.13423%0.23CC..EExtended strand (participates in β ladder)trans-103.1128.8174.8-57.6-63.3000109.6R54 V67 I68 T201R54-D56 IonicContact CZ-OD1 2.76Å; R54-D56 VanDerWaalsContact CZ-OD1 3.23Å; R54-D56 IonicContact CZ-OD2 3.23Å; R54-D56 VanDerWaalsContact NE-CG 3.25Å; R54-D56 IonicContact NE-OD1 2.73Å; R54-D56 PolarHBondContact NE-OD1 3.15Å; R54-D56 IonicContact NE-OD2 2.89Å; R54-D56 PolarHBondContact NE-OD2 3.19Å; R54-D56 VanDerWaalsContact NH2-CG 3.34Å; R54-D56 IonicContact NH2-OD1 3.18Å; R54-D56 PolarHBondContact NH2-OD1 3.02Å; R54-D56 IonicContact NH2-OD2 3.72Å; R54-D56 PolarHBondContact NH2-OD2 3.2Å; D56-V67 CarbonylContact O-C 3.15Å; D56-V67 WeakPolarHBondContact O-CA 3.27Å; D56-I68 HydrophobicContact CB-CB 4.25Å; D56-I68 PolarHBondContact N-O 3.33Å; D56-I68 PolarHBondContact O-N 3.03Å; D56-T201 WeakPolarHBondContact CA-OG1 3.39Å; D56-T201 WeakPolarHBondContact CB-OG1 3.41Å; D56-T201 WeakPolarHBondContact OD1-CG2 3.49Å; D56-T201 PolarHBondContact OD1-OG1 3.04Å
57V98.2Very high94.6Very high0 Ų040.4 Ų40.40%023%0.226CC..EExtended strand (participates in β ladder)trans-118.9125.2175.9-177.80000109.3I40 V55 L65 E66 V67 L188 T201 F202 K203I40-V57 HydrophobicContact CD1-CG2 4.43Å; I40-V57 HydrophobicContact CG1-CG2 4.08Å; V55-V57 HydrophobicContact CG1-CG2 4.25Å; V57-L65 HydrophobicContact CG1-CD1 3.84Å; V57-L65 HydrophobicContact CG1-CD2 4.45Å; V57-L65 HydrophobicContact CG1-CG 4.23Å; V57-E66 CarbonylContact C-O 3.59Å; V57-E66 WeakPolarHBondContact CA-O 3.37Å; V57-V67 HydrophobicContact CG1-CG2 4.41Å; V57-V67 HydrophobicContact CG2-CG1 4.29Å; V57-V67 HydrophobicContact CG2-CG2 4.28Å; V57-L188 HydrophobicContact CB-CD1 3.98Å; V57-L188 HydrophobicContact CB-CD2 4.35Å; V57-L188 HydrophobicContact CG1-CD1 4.14Å; V57-L188 HydrophobicContact CG2-CD1 4.2Å; V57-L188 HydrophobicContact CG2-CD2 3.65Å; V57-T201 PolarHBondContact N-O 3.15Å; V57-F202 HydrophobicContact CB-CD2 4.11Å; V57-F202 HydrophobicContact CG1-CD2 3.98Å; V57-F202 HydrophobicContact CG1-CE2 4.25Å; V57-F202 CarbonylContact O-C 3.57Å; V57-F202 WeakPolarHBondContact O-CA 3.23Å; V57-F202 WeakPolarHBondContact O-CD2 2.9Å; V57-K203 PolarHBondContact O-N 2.98Å
58I98.4Very high95Very high27 Ų2741.6 Ų41.614%0.13823%0.231CC..EExtended strand (participates in β ladder)trans-120.7116.4-176.9-51.1173000108.3L65 E66 I68 K203 E205I58-L65 WeakPolarHBondContact O-CA 3.18Å; I58-E66 HydrophobicContact CB-CB 4.31Å; I58-E66 PolarHBondContact N-O 3.36Å; I58-E66 PolarHBondContact O-N 3.44Å; I58-I68 HydrophobicContact CD1-CD1 4.13Å; I58-K203 CarbonylContact C-O 3.58Å; I58-K203 WeakPolarHBondContact CA-O 3.09Å; I58-K203 HydrophobicContact CG1-CB 4.34Å; I58-K203 HydrophobicContact CG2-CB 4.39Å; I58-K203 HydrophobicContact CG2-CD 4.26Å; I58-E205 HydrophobicContact CG2-CG 4.23Å
59L98.2Very high95.8Very high0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-92106.2166.9177.161.5000108L65 F179 V181 F202 K203 E205 I206L59-L65 HydrophobicContact CB-CD1 4.05Å; L59-L65 HydrophobicContact CD1-CD1 4.18Å; L59-F179 HydrophobicContact CD1-CB 4.02Å; L59-F179 HydrophobicContact CD1-CD2 3.65Å; L59-F179 HydrophobicContact CD1-CE2 4.44Å; L59-F179 HydrophobicContact CD1-CG 4.07Å; L59-F179 HydrophobicContact CD2-CB 4.23Å; L59-V181 HydrophobicContact CD2-CG2 3.88Å; L59-F202 HydrophobicContact CB-CE2 3.93Å; L59-F202 HydrophobicContact CB-CZ 4.18Å; L59-F202 HydrophobicContact CD2-CZ 4.4Å; L59-K203 PolarHBondContact N-O 3.29Å; L59-E205 WeakPolarHBondContact O-CB 3.41Å; L59-E205 PolarHBondContact O-N 3.2Å; L59-I206 HydrophobicContact CD1-CD1 4.27Å; L59-I206 HydrophobicContact CD2-CD1 3.8Å; L59-I206 HydrophobicContact CG-CD1 3.81Å
60H98.1Very high96.4Very high31 Ų3140.5 Ų40.514%0.14422%0.22CC..  trans-77159.4-176.8-69.2-89.1000111.4D62 Q63 S64 E66 H166 E205H60-D62 WeakPolarHBondContact CB-OD1 3.33Å; H60-D62 PolarHBondContact O-N 3.16Å; H60-D62 VanDerWaalsContact O-N 3.11Å; H60-Q63 PolarHBondContact O-N 2.98Å; H60-Q63 VanDerWaalsContact O-N 3.11Å; H60-S64 VanDerWaalsContact CB-OG 3.32Å; H60-S64 WeakPolarHBondContact CB-OG 3.27Å; H60-S64 PolarHBondContact N-O 2.88Å; H60-E66 IonicContact CE1-OE2 2.87Å; H60-E66 WeakPolarHBondContact NE2-CB 3.45Å; H60-E66 IonicContact NE2-OE2 3.15Å; H60-E66 PolarHBondContact NE2-OE2 2.9Å; H60-E66 VanDerWaalsContact NE2-OE2 3.12Å; H60-H166 AromaticContact CD2-CE1 3.73Å; H60-H166 AromaticContact CD2-NE2 3.29Å; H60-H166 PolarHBondContact CD2-NE2 3.03Å; H60-H166 VanDerWaalsContact CD2-NE2 3.29Å; H60-H166 AromaticContact CE1-CE1 3.99Å; H60-H166 AromaticContact CG-NE2 3.97Å; H60-H166 AromaticContact NE2-CE1 3.55Å; H60-H166 AromaticContact NE2-NE2 3.54Å; H60-E205 IonicContact ND1-OE2 2.66Å
61A95.1Very high96.8Very high74 Ų7437.4 Ų37.461%0.61219%0.188SC*.THydrogen-bonded Turntrans-60.6-22.2-177.700000114.3Q63A61-Q63 VanDerWaalsContact C-N 3.34Å
62D95.9Very high96.9Very high93 Ų9336.4 Ų36.450%0.49718%0.181SC..THydrogen-bonded Turntrans-90.412.1179.367.7-6.3000114.1H60 S64 W168H60-D62 WeakPolarHBondContact CB-OD1 3.33Å; H60-D62 PolarHBondContact O-N 3.16Å; H60-D62 VanDerWaalsContact O-N 3.11Å; D62-S64 PolarHBondContact O-N 2.85Å; D62-S64 VanDerWaalsContact OD1-CB 3.26Å; D62-S64 WeakPolarHBondContact OD1-CB 3.49Å; D62-S64 PolarHBondContact OD1-N 3.45Å; D62-S64 PolarHBondContact OD1-OG 3.37Å; D62-W168 PolarHBondContact OD2-NE1 2.85Å
63Q94.8Very high96.9Very high44 Ų4436.5 Ų36.521%0.20618%0.183CC..SBendtrans66.215.9-175-59.7-74.8-18.300114.7H60 A61 R178 F179 I206H60-Q63 PolarHBondContact O-N 2.98Å; H60-Q63 VanDerWaalsContact O-N 3.11Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-R178 HydrophobicContact CG-CG 4.41Å; Q63-F179 VanDerWaalsContact O-CE2 3.28Å; Q63-F179 WeakPolarHBondContact O-CE2 3.48Å; Q63-F179 VanDerWaalsContact OE1-N 3.08Å; Q63-I206 VanDerWaalsContact NE2-CD1 3.27Å
64S97.8Very high96.9Very high0 Ų030.3 Ų30.30%016%0.156CC..  trans-80.8155.2164.765.90000111.7H60 D62 H166 F167 W168H60-S64 VanDerWaalsContact CB-OG 3.32Å; H60-S64 WeakPolarHBondContact CB-OG 3.27Å; H60-S64 PolarHBondContact N-O 2.88Å; D62-S64 PolarHBondContact O-N 2.85Å; D62-S64 VanDerWaalsContact OD1-CB 3.26Å; D62-S64 WeakPolarHBondContact OD1-CB 3.49Å; D62-S64 PolarHBondContact OD1-N 3.45Å; D62-S64 PolarHBondContact OD1-OG 3.37Å; S64-H166 WeakPolarHBondContact CB-NE2 3.25Å; S64-H166 PolarHBondContact OG-NE2 2.81Å; S64-F167 WeakPolarHBondContact CA-O 3.49Å; S64-F167 VanDerWaalsContact CB-O 3.24Å; S64-F167 WeakPolarHBondContact CB-O 3.18Å; S64-W168 VanDerWaalsContact CB-CD1 3.45Å
65L98.2Very high96.8Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-121.8131.7178.2-165.678.6000109.3V57 I58 L59 V67 H166 F167 F179 L184V57-L65 HydrophobicContact CG1-CD1 3.84Å; V57-L65 HydrophobicContact CG1-CD2 4.45Å; V57-L65 HydrophobicContact CG1-CG 4.23Å; I58-L65 WeakPolarHBondContact O-CA 3.18Å; L59-L65 HydrophobicContact CB-CD1 4.05Å; L59-L65 HydrophobicContact CD1-CD1 4.18Å; L65-V67 HydrophobicContact CD2-CG2 4.4Å; L65-H166 WeakPolarHBondContact O-CA 3.24Å; L65-H166 PolarHBondContact O-CD2 2.92Å; L65-F167 HydrophobicContact CB-CD1 4.42Å; L65-F167 HydrophobicContact CB-CE1 3.71Å; L65-F167 HydrophobicContact CB-CE2 4.44Å; L65-F167 HydrophobicContact CB-CZ 3.72Å; L65-F167 HydrophobicContact CD2-CE1 3.94Å; L65-F167 HydrophobicContact CD2-CZ 3.82Å; L65-F167 HydrophobicContact CG-CE1 4.26Å; L65-F167 HydrophobicContact CG-CZ 4.36Å; L65-F167 PolarHBondContact N-O 2.63Å; L65-F167 VanDerWaalsContact O-CD1 3.26Å; L65-F167 WeakPolarHBondContact O-CD1 3.36Å; L65-F167 PolarHBondContact O-N 3.44Å; L65-F179 HydrophobicContact CB-CE1 4.49Å; L65-F179 HydrophobicContact CB-CE2 3.97Å; L65-F179 HydrophobicContact CB-CZ 3.83Å; L65-F179 HydrophobicContact CD2-CE1 4.1Å; L65-F179 HydrophobicContact CD2-CZ 4.21Å; L65-L184 HydrophobicContact CD1-CD1 4.11Å
66E98.5Very high96.7Very high33 Ų3328.9 Ų28.915%0.15416%0.161CC..EExtended strand (participates in β ladder)trans-116.6132.8173.3-174.6-179.5-173.600109.9V57 I58 H60 I68 S164 V165 H166V57-E66 CarbonylContact C-O 3.59Å; V57-E66 WeakPolarHBondContact CA-O 3.37Å; I58-E66 HydrophobicContact CB-CB 4.31Å; I58-E66 PolarHBondContact N-O 3.36Å; I58-E66 PolarHBondContact O-N 3.44Å; H60-E66 IonicContact CE1-OE2 2.87Å; H60-E66 WeakPolarHBondContact NE2-CB 3.45Å; H60-E66 IonicContact NE2-OE2 3.15Å; H60-E66 PolarHBondContact NE2-OE2 2.9Å; H60-E66 VanDerWaalsContact NE2-OE2 3.12Å; E66-I68 HydrophobicContact CG-CD1 4.31Å; E66-I68 HydrophobicContact CG-CG1 3.95Å; E66-S164 PolarHBondContact OE1-OG 2.92Å; E66-V165 CarbonylContact C-O 3.6Å; E66-V165 VanDerWaalsContact CA-O 3.31Å; E66-V165 WeakPolarHBondContact CA-O 3.45Å; E66-H166 HydrophobicContact CB-CB 4.15Å; E66-H166 HydrophobicContact CG-CB 3.99Å
67V98.3Very high96.5Very high1 Ų132.2 Ų32.21%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-123.1125.4176.3-177.70000108.2V39 I40 V55 D56 V57 L65 S164 V165V39-V67 HydrophobicContact CB-CG2 4.08Å; V39-V67 HydrophobicContact CG1-CB 3.66Å; V39-V67 HydrophobicContact CG1-CG1 4.21Å; V39-V67 HydrophobicContact CG1-CG2 3.74Å; I40-V67 HydrophobicContact CG1-CG1 4.39Å; I40-V67 HydrophobicContact CG1-CG2 3.88Å; V55-V67 HydrophobicContact CG1-CG1 4.07Å; D56-V67 CarbonylContact O-C 3.15Å; D56-V67 WeakPolarHBondContact O-CA 3.27Å; V57-V67 HydrophobicContact CG1-CG2 4.41Å; V57-V67 HydrophobicContact CG2-CG1 4.29Å; V57-V67 HydrophobicContact CG2-CG2 4.28Å; L65-V67 HydrophobicContact CD2-CG2 4.4Å; V67-S164 CarbonylContact O-C 3.55Å; V67-S164 WeakPolarHBondContact O-CA 3.42Å; V67-V165 PolarHBondContact N-O 2.96Å; V67-V165 PolarHBondContact O-N 3.26Å
68I98.3Very high96.3Very high34 Ų3437 Ų3717%0.17420%0.203CC..EExtended strand (participates in β ladder)trans-124.2126.3-175.7-45.8175.7000108.8V55 D56 I58 E66 T163V55-I68 CarbonylContact C-O 3.57Å; V55-I68 WeakPolarHBondContact CA-O 3.39Å; D56-I68 HydrophobicContact CB-CB 4.25Å; D56-I68 PolarHBondContact N-O 3.33Å; D56-I68 PolarHBondContact O-N 3.03Å; I58-I68 HydrophobicContact CD1-CD1 4.13Å; E66-I68 HydrophobicContact CG-CD1 4.31Å; E66-I68 HydrophobicContact CG-CG1 3.95Å; I68-T163 CarbonylContact C-O 3.55Å; I68-T163 WeakPolarHBondContact CA-O 3.37Å
69D97.7Very high96Very high9 Ų938.4 Ų38.45%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-119164.7172.166.464.7000112.7S43 R54 V55 G71 R131 G162 T163S43-D69 PolarHBondContact OG-OD2 3.25Å; R54-D69 WeakPolarHBondContact O-CA 3.24Å; V55-D69 HydrophobicContact CG2-CB 4.46Å; D69-G71 PolarHBondContact OD1-N 3.38Å; D69-R131 PolarHBondContact O-NH2 2.92Å; D69-G162 WeakPolarHBondContact O-CA 3.48Å; D69-G162 WeakPolarHBondContact OD1-CA 3.34Å; D69-T163 PolarHBondContact N-O 2.87Å; D69-T163 PolarHBondContact O-N 3.19Å; D69-T163 PolarHBondContact OD1-N 3.44Å
70D97.1Very high95.6Very high54 Ų5444.1 Ų44.129%0.28925%0.246SC..  trans-107.225.3171.270.3-20.3000112.8A52 K53 R54 T161A52-D70 WeakPolarHBondContact CA-OD1 3.11Å; A52-D70 VanDerWaalsContact CB-OD1 3.3Å; A52-D70 WeakPolarHBondContact CB-OD1 3.4Å; K53-D70 PolarHBondContact N-OD1 2.78Å; K53-D70 PolarHBondContact N-OD2 2.87Å; R54-D70 PolarHBondContact N-OD1 2.82Å; R54-D70 PolarHBondContact N-OD2 2.88Å; R54-D70 PolarHBondContact O-N 3.2Å; R54-D70 VanDerWaalsContact O-OD1 3.13Å; D70-T161 WeakPolarHBondContact CA-O 3.38Å
71G95.5Very high95.2Very high1 Ų150.7 Ų50.71%0.0128%0.277CS..SBendtrans-72-158-179.900000113.7D69 G73 T161 G162D69-G71 PolarHBondContact OD1-N 3.38Å; G71-G73 PolarHBondContact O-N 3.46Å; G71-T161 CarbonylContact O-C 3.56Å; G71-T161 WeakPolarHBondContact O-CB 3.5Å; G71-T161 PolarHBondContact O-OG1 3.05Å; G71-G162 WeakPolarHBondContact O-CA 3.45Å; G71-G162 PolarHBondContact O-N 2.93Å
72R94Very high95Very high66 Ų6650.5 Ų50.525%0.24926%0.264CS..SBendtrans-69.4-18.9-180-66.4172-70.6-167.37113.7E46 H51 Y105 R132E46-R72 IonicContact OE1-CZ 2.65Å; E46-R72 IonicContact OE1-NE 2.77Å; E46-R72 PolarHBondContact OE1-NE 2.58Å; E46-R72 IonicContact OE1-NH2 3.74Å; E46-R72 PolarHBondContact OE1-NH2 3.48Å; E46-R72 WeakPolarHBondContact OE2-CB 3.27Å; E46-R72 WeakPolarHBondContact OE2-CG 3.35Å; E46-R72 IonicContact OE2-CZ 2.74Å; E46-R72 PolarHBondContact OE2-N 2.89Å; E46-R72 IonicContact OE2-NE 2.71Å; E46-R72 PolarHBondContact OE2-NE 2.66Å; E46-R72 IonicContact OE2-NH2 3.2Å; H51-R72 HydrophobicContact CB-CG 3.8Å; H51-R72 VanDerWaalsContact CD2-CD 3.44Å; H51-R72 WeakPolarHBondContact CD2-CD 3.24Å; H51-R72 PolarHBondContact CD2-NE 2.92Å; H51-R72 PolarHBondContact CD2-NH1 3.36Å; H51-R72 VanDerWaalsContact CD2-NH1 3.32Å; H51-R72 PolarHBondContact NE2-NH1 3.23Å; R72-Y105 PolarHBondContact NH2-OH 3.01Å; R72-R132 PolarHBondContact O-NH1 3.14Å
73G93.9Very high94.8Very high7 Ų748.7 Ų48.77%0.07227%0.267CS..  trans79141.6-168.900000112.4G71 R132 T163G71-G73 PolarHBondContact O-N 3.46Å; G73-R132 PolarHBondContact O-NH1 2.85Å; G73-T163 WeakPolarHBondContact CA-OG1 3.3Å
74M94.4Very high94.7Very high28 Ų2848.5 Ų48.514%0.13827%0.269CS..  trans-54.8145.2176.4-70.5-178.7175.700111.9V76 V87 I90 V128 V130 T163 V165M74-V76 PolarHBondContact O-N 2.84Å; M74-V87 HydrophobicContact CB-CB 4.48Å; M74-V87 HydrophobicContact CB-CG2 4.33Å; M74-V87 HydrophobicContact SD-CG2 3.95Å; M74-I90 HydrophobicContact CE-CD1 4.28Å; M74-I90 HydrophobicContact CG-CD1 4.29Å; M74-I90 HydrophobicContact SD-CD1 3.74Å; M74-V128 HydrophobicContact SD-CG1 4.18Å; M74-V130 HydrophobicContact CB-CG2 4.14Å; M74-V130 WeakPolarHBondContact O-CG1 3.27Å; M74-T163 HydrophobicContact CE-CG2 4.2Å; M74-T163 HydrophobicContact CG-CG2 4Å; M74-T163 PolarHBondContact N-OG1 2.94Å; M74-T163 HydrophobicContact SD-CG2 3.99Å; M74-V165 HydrophobicContact CE-CG2 4.26Å
75P94.4Very high94.6Very high61 Ų6149.4 Ų49.440%0.39627%0.274SS..  trans-63.5129.6176.8-20.833.3000111.8A86 V87P75-A86 HydrophobicContact CB-CB 3.78Å; P75-V87 PolarHBondContact O-N 3.26Å
76V95.1Very high94.4Very high18 Ų1850 Ų5011%0.10928%0.28CS..  trans-108.7-10-176.2-66.80000112.7M74 V130 Y137 L150M74-V76 PolarHBondContact O-N 2.84Å; V76-V130 HydrophobicContact CG1-CB 4.01Å; V76-V130 HydrophobicContact CG1-CG1 3.86Å; V76-V130 HydrophobicContact CG1-CG2 4.3Å; V76-Y137 HydrophobicContact CB-CD1 4.49Å; V76-Y137 HydrophobicContact CB-CD2 4.45Å; V76-Y137 HydrophobicContact CB-CE2 4.49Å; V76-Y137 HydrophobicContact CB-CG 4.46Å; V76-Y137 HydrophobicContact CG1-CD1 4.49Å; V76-Y137 HydrophobicContact CG1-CD2 3.92Å; V76-Y137 HydrophobicContact CG1-CE2 4.36Å; V76-Y137 HydrophobicContact CG1-CG 4Å; V76-Y137 HydrophobicContact CG2-CD2 4.31Å; V76-Y137 HydrophobicContact CG2-CE1 4.34Å; V76-Y137 HydrophobicContact CG2-CE2 3.9Å; V76-L150 HydrophobicContact CB-CD2 3.95Å; V76-L150 HydrophobicContact CG1-CD2 4.3Å
77D94.3Very high94.2Very high96 Ų9648.5 Ų48.551%0.51327%0.272SS..SBendtrans-69.6155.3175.752.2-59.8000111.9H79 P85 A86D77-H79 PolarHBondContact O-N 3.45Å; D77-P85 WeakPolarHBondContact O-CA 3.46Å; D77-A86 PolarHBondContact O-N 3.08Å
78I94.5Very high94.1Very high100 Ų10049.6 Ų49.651%0.51328%0.278SS..BIsolated β-bridgetrans-71.1125.2179.5-57.9-58.6000109.3P85I78-P85 HydrophobicContact CD1-CB 4.41Å; I78-P85 HydrophobicContact CD1-CG 3.77Å
79H91.7Very high93.8Very high56 Ų5648.9 Ų48.926%0.25927%0.274SS..PPolyproline II helixtrans-65.3127.8175.8-171.9-92.2000110.1D77 E81 E82 G83 V84 L89D77-H79 PolarHBondContact O-N 3.45Å; H79-E81 VanDerWaalsContact C-N 3.29Å; H79-E81 PolarHBondContact ND1-N 3.14Å; H79-E81 PolarHBondContact O-N 3.03Å; H79-E82 HydrophobicContact CB-CB 4.15Å; H79-E82 WeakPolarHBondContact ND1-CG 3.49Å; H79-E82 PolarHBondContact ND1-N 3.29Å; H79-E82 PolarHBondContact O-N 3.48Å; H79-G83 PolarHBondContact O-N 3.46Å; H79-V84 PolarHBondContact N-O 2.91Å; H79-L89 HydrophobicContact CB-CD2 4.04Å
80P89.1Confident93.5Very high121 Ų12149.8 Ų49.879%0.78628%0.278SS*.THydrogen-bonded Turntrans-62.9-32.7-16922.9-34000114
81E90Very high93.4Very high169 Ų16947.2 Ų47.279%0.7927%0.265SS*.THydrogen-bonded Turntrans-92-27.3-178.3-61.9179.1171.200112.9H79H79-E81 VanDerWaalsContact C-N 3.29Å; H79-E81 PolarHBondContact ND1-N 3.14Å; H79-E81 PolarHBondContact O-N 3.03Å
82E90.5Very high93.2Very high70 Ų7048.6 Ų48.633%0.32727%0.274SS..THydrogen-bonded Turntrans-103.8-14.7-170-63.9-65.7177.700113H79 V84 L89 R93H79-E82 HydrophobicContact CB-CB 4.15Å; H79-E82 WeakPolarHBondContact ND1-CG 3.49Å; H79-E82 PolarHBondContact ND1-N 3.29Å; H79-E82 PolarHBondContact O-N 3.48Å; E82-V84 HydrophobicContact CB-CG2 4.18Å; E82-V84 PolarHBondContact O-N 3.01Å; E82-V84 VanDerWaalsContact O-N 3.1Å; E82-L89 HydrophobicContact CB-CD1 4.05Å; E82-L89 HydrophobicContact CB-CD2 4.21Å; E82-L89 HydrophobicContact CG-CD1 3.85Å; E82-L89 HydrophobicContact CG-CD2 3.91Å; E82-R93 IonicContact OE1-CZ 2.66Å; E82-R93 IonicContact OE1-NH1 3.48Å; E82-R93 PolarHBondContact OE1-NH1 3.32Å; E82-R93 IonicContact OE2-CZ 2.8Å; E82-R93 IonicContact OE2-NH1 3.12Å; E82-R93 PolarHBondContact OE2-NH1 2.96Å; E82-R93 IonicContact OE2-NH2 3.32Å; E82-R93 PolarHBondContact OE2-NH2 2.83Å
83G92.5Very high92.9Very high55 Ų5550.9 Ų50.957%0.56728%0.283SS*.  trans697174.100000115.3H79H79-G83 PolarHBondContact O-N 3.46Å
84V93.5Very high92.6Very high40 Ų4052.3 Ų52.324%0.24229%0.288CS..SBendtrans-117.6156.7177-63.60000110.9H79 E82 A86 L89H79-V84 PolarHBondContact N-O 2.91Å; E82-V84 HydrophobicContact CB-CG2 4.18Å; E82-V84 PolarHBondContact O-N 3.01Å; E82-V84 VanDerWaalsContact O-N 3.1Å; V84-A86 PolarHBondContact O-N 3.34Å; V84-L89 HydrophobicContact CG2-CB 4.1Å; V84-L89 HydrophobicContact CG2-CD1 4.3Å
85P95Very high91.9Very high18 Ų1856.7 Ų56.712%0.11731%0.308CS..BIsolated β-bridgetrans-53.7138.3173-23.432.5000111.7D77 I78 V87 E88 L89 L150D77-P85 WeakPolarHBondContact O-CA 3.46Å; I78-P85 HydrophobicContact CD1-CB 4.41Å; I78-P85 HydrophobicContact CD1-CG 3.77Å; P85-V87 VanDerWaalsContact C-N 3.26Å; P85-V87 HydrophobicContact CB-CG1 4.14Å; P85-V87 PolarHBondContact O-N 2.89Å; P85-E88 HydrophobicContact CB-CB 4.33Å; P85-E88 WeakPolarHBondContact O-CA 3.49Å; P85-E88 WeakPolarHBondContact O-CB 3.44Å; P85-E88 PolarHBondContact O-N 3.16Å; P85-L89 PolarHBondContact O-N 3.1Å; P85-L150 HydrophobicContact CB-CD2 3.75Å; P85-L150 HydrophobicContact CG-CB 4.2Å; P85-L150 HydrophobicContact CG-CD2 4.06Å
86A94Very high90.9Very high14 Ų1454.6 Ų54.612%0.11630%0.296CS..Hα-helixtrans-59.8-34.6-177.500000113.2P75 D77 V84 E88 L89 I90P75-A86 HydrophobicContact CB-CB 3.78Å; D77-A86 PolarHBondContact O-N 3.08Å; V84-A86 PolarHBondContact O-N 3.34Å; A86-E88 VanDerWaalsContact C-N 3.32Å; A86-E88 PolarHBondContact O-N 3.21Å; A86-L89 WeakPolarHBondContact O-CB 3.45Å; A86-L89 PolarHBondContact O-N 2.92Å; A86-I90 WeakPolarHBondContact O-CG1 3.16Å; A86-I90 WeakPolarHBondContact O-CG2 3.35Å; A86-I90 PolarHBondContact O-N 2.91Å
87V94.3Very high89.9Confident0 Ų055.4 Ų55.40%031%0.308CS..Hα-helixtrans-61-37.1171.963.60000112.9M74 P75 P85 I90 L91 V128 I139 L150M74-V87 HydrophobicContact CB-CB 4.48Å; M74-V87 HydrophobicContact CB-CG2 4.33Å; M74-V87 HydrophobicContact SD-CG2 3.95Å; P75-V87 PolarHBondContact O-N 3.26Å; P85-V87 VanDerWaalsContact C-N 3.26Å; P85-V87 HydrophobicContact CB-CG1 4.14Å; P85-V87 PolarHBondContact O-N 2.89Å; V87-I90 VanDerWaalsContact O-CG1 3.25Å; V87-I90 WeakPolarHBondContact O-CG1 3.49Å; V87-L91 HydrophobicContact CG2-CD1 4.02Å; V87-L91 VanDerWaalsContact O-CD1 3.31Å; V87-L91 WeakPolarHBondContact O-CD1 3.37Å; V87-L91 PolarHBondContact O-N 3Å; V87-V128 HydrophobicContact CG2-CG1 4.16Å; V87-I139 HydrophobicContact CG1-CD1 4.36Å; V87-I139 HydrophobicContact CG1-CG2 4.41Å; V87-I139 HydrophobicContact CG2-CG2 4.14Å; V87-L150 HydrophobicContact CG1-CD1 3.89Å; V87-L150 HydrophobicContact CG1-CD2 4.02Å
88E95.3Very high88.7Confident25 Ų2552.6 Ų52.612%0.11730%0.302CS..Hα-helixtrans-68.7-44173.8179.2178.9159.400110.6P85 A86 I90 L91 C92 I139 F141 K146P85-E88 HydrophobicContact CB-CB 4.33Å; P85-E88 WeakPolarHBondContact O-CA 3.49Å; P85-E88 WeakPolarHBondContact O-CB 3.44Å; P85-E88 PolarHBondContact O-N 3.16Å; A86-E88 VanDerWaalsContact C-N 3.32Å; A86-E88 PolarHBondContact O-N 3.21Å; E88-I90 PolarHBondContact O-N 3.49Å; E88-L91 PolarHBondContact O-N 2.61Å; E88-C92 WeakPolarHBondContact O-CB 3.27Å; E88-C92 PolarHBondContact O-N 3.15Å; E88-I139 HydrophobicContact CB-CD1 3.93Å; E88-I139 HydrophobicContact CG-CD1 4.48Å; E88-F141 HydrophobicContact CG-CE1 4.48Å; E88-K146 HydrophobicContact CG-CD 4.16Å; E88-K146 VanDerWaalsContact OE1-CE 3.24Å; E88-K146 WeakPolarHBondContact OE1-CE 3.5Å; E88-K146 IonicContact OE1-NZ 3.17Å; E88-K146 PolarHBondContact OE1-NZ 2.7Å; E88-K146 WeakPolarHBondContact OE2-CD 3.47Å; E88-K146 IonicContact OE2-NZ 2.73Å; E88-K146 PolarHBondContact OE2-NZ 3.44Å
89L92.8Very high87.4Confident18 Ų1849.2 Ų49.29%0.09428%0.284CS..Hα-helixtrans-57.7-47.8-179.3-176.163.5000112.3H79 E82 V84 P85 A86 L91 C92 R93 A96H79-L89 HydrophobicContact CB-CD2 4.04Å; E82-L89 HydrophobicContact CB-CD1 4.05Å; E82-L89 HydrophobicContact CB-CD2 4.21Å; E82-L89 HydrophobicContact CG-CD1 3.85Å; E82-L89 HydrophobicContact CG-CD2 3.91Å; V84-L89 HydrophobicContact CG2-CB 4.1Å; V84-L89 HydrophobicContact CG2-CD1 4.3Å; P85-L89 PolarHBondContact O-N 3.1Å; A86-L89 WeakPolarHBondContact O-CB 3.45Å; A86-L89 PolarHBondContact O-N 2.92Å; L89-L91 VanDerWaalsContact C-N 3.3Å; L89-L91 PolarHBondContact O-N 3.17Å; L89-C92 PolarHBondContact O-N 2.87Å; L89-R93 HydrophobicContact CD1-CB 4.36Å; L89-R93 HydrophobicContact CD1-CG 3.96Å; L89-R93 WeakPolarHBondContact O-CB 3.45Å; L89-R93 PolarHBondContact O-N 3.1Å; L89-A96 HydrophobicContact CG-CB 4.24Å
90I92.3Very high86Confident28 Ų2851.9 Ų51.914%0.14429%0.294CS..Hα-helixtrans-69.1-27.2-178.262.7-179.4000113.3M74 A86 V87 E88 A96 I116M74-I90 HydrophobicContact CE-CD1 4.28Å; M74-I90 HydrophobicContact CG-CD1 4.29Å; M74-I90 HydrophobicContact SD-CD1 3.74Å; A86-I90 WeakPolarHBondContact O-CG1 3.16Å; A86-I90 WeakPolarHBondContact O-CG2 3.35Å; A86-I90 PolarHBondContact O-N 2.91Å; V87-I90 VanDerWaalsContact O-CG1 3.25Å; V87-I90 WeakPolarHBondContact O-CG1 3.49Å; E88-I90 PolarHBondContact O-N 3.49Å; I90-A96 HydrophobicContact CG2-CB 4.39Å; I90-I116 HydrophobicContact CB-CG2 4.39Å; I90-I116 HydrophobicContact CG1-CG2 4.5Å; I90-I116 WeakPolarHBondContact O-CG2 3.25Å
91L93.8Very high84.5Confident0 Ų048.4 Ų48.40%027%0.273CS..Hα-helixtrans-83.9-30.2179.2-81.1158.2000112.4L16 V87 E88 L89 I116 N120 V128 F141L16-L91 WeakPolarHBondContact CD1-O 3.1Å; V87-L91 HydrophobicContact CG2-CD1 4.02Å; V87-L91 VanDerWaalsContact O-CD1 3.31Å; V87-L91 WeakPolarHBondContact O-CD1 3.37Å; V87-L91 PolarHBondContact O-N 3Å; E88-L91 PolarHBondContact O-N 2.61Å; L89-L91 VanDerWaalsContact C-N 3.3Å; L89-L91 PolarHBondContact O-N 3.17Å; L91-I116 HydrophobicContact CD2-CG1 3.68Å; L91-I116 HydrophobicContact CG-CG1 4.43Å; L91-N120 HydrophobicContact CD2-CB 3.98Å; L91-N120 PolarHBondContact O-ND2 3.36Å; L91-V128 HydrophobicContact CD1-CG2 3.73Å; L91-F141 HydrophobicContact CB-CE1 4.07Å; L91-F141 HydrophobicContact CB-CE2 4.07Å; L91-F141 HydrophobicContact CB-CZ 3.77Å; L91-F141 HydrophobicContact CD1-CD2 4.03Å; L91-F141 HydrophobicContact CD1-CE2 3.26Å; L91-F141 HydrophobicContact CD1-CZ 3.66Å; L91-F141 HydrophobicContact CG-CE2 4.17Å; L91-F141 HydrophobicContact CG-CZ 4.31Å
92C92.2Very high83.1Confident30 Ų3044.1 Ų44.120%0.20326%0.255CS..Hα-helixtrans-100.4-16.9-176-67.60000114.5E88 L89 F141E88-C92 WeakPolarHBondContact O-CB 3.27Å; E88-C92 PolarHBondContact O-N 3.15Å; L89-C92 PolarHBondContact O-N 2.87Å; C92-F141 WeakPolarHBondContact SG-CE1 3.45Å
93R87.8Confident81.5Confident114 Ų11449.5 Ų49.543%0.4328%0.278SS..SBendtrans-118.3136.2-179.2-63.9-158.7-173.3173.79112.7E82 L89 A96 S117E82-R93 IonicContact OE1-CZ 2.66Å; E82-R93 IonicContact OE1-NH1 3.48Å; E82-R93 PolarHBondContact OE1-NH1 3.32Å; E82-R93 IonicContact OE2-CZ 2.8Å; E82-R93 IonicContact OE2-NH1 3.12Å; E82-R93 PolarHBondContact OE2-NH1 2.96Å; E82-R93 IonicContact OE2-NH2 3.32Å; E82-R93 PolarHBondContact OE2-NH2 2.83Å; L89-R93 HydrophobicContact CD1-CB 4.36Å; L89-R93 HydrophobicContact CD1-CG 3.96Å; L89-R93 WeakPolarHBondContact O-CB 3.45Å; L89-R93 PolarHBondContact O-N 3.1Å; R93-A96 HydrophobicContact CB-CB 4.09Å; R93-S117 PolarHBondContact O-OG 3.06Å
94L86.3Confident79.8Confident37 Ų3751.1 Ų51.119%0.19427%0.274CS..THydrogen-bonded Turntrans-68.7147.7166.5-62.8176.7000109.7L16 V19 A96 V114L16-L94 HydrophobicContact CD2-CD2 4.01Å; L16-L94 HydrophobicContact CD2-CG 4.08Å; V19-L94 HydrophobicContact CG2-CD1 4.02Å; V19-L94 HydrophobicContact CG2-CD2 3.78Å; V19-L94 HydrophobicContact CG2-CG 4.44Å; L94-A96 VanDerWaalsContact C-N 3.25Å; L94-A96 PolarHBondContact O-N 2.81Å; L94-V114 HydrophobicContact CB-CG1 4.18Å; L94-V114 HydrophobicContact CD2-CB 4Å; L94-V114 HydrophobicContact CD2-CG1 3.97Å
95H81.2Confident78.1Confident121 Ų12151 Ų5156%0.5627%0.269SS*.THydrogen-bonded Turntrans6033.7179-50.1-67.6000113.7F100 H112 G113 V114H95-F100 HydrophobicContact CB-CZ 4.19Å; H95-F100 WeakPolarHBondContact O-CE2 3.4Å; H95-F100 WeakPolarHBondContact O-CZ 3.43Å; H95-H112 PolarHBondContact ND1-O 2.85Å; H95-G113 VanDerWaalsContact CA-O 3.28Å; H95-G113 WeakPolarHBondContact CA-O 3.47Å; H95-G113 PolarHBondContact N-O 2.96Å; H95-V114 VanDerWaalsContact CE1-CG1 3.42Å; H95-V114 WeakPolarHBondContact CE1-CG1 3.16Å
96A73.5Confident76.5Confident17 Ų1755.5 Ų55.514%0.1429%0.289CS..  trans-111.6123.6174.400000109.9L89 I90 R93 L94 G113L89-A96 HydrophobicContact CG-CB 4.24Å; I90-A96 HydrophobicContact CG2-CB 4.39Å; R93-A96 HydrophobicContact CB-CB 4.09Å; L94-A96 VanDerWaalsContact C-N 3.25Å; L94-A96 PolarHBondContact O-N 2.81Å; A96-G113 PolarHBondContact N-O 2.9Å
97G74.1Confident75.3Confident34 Ų3456.5 Ų56.535%0.35129%0.29SS..SBendtrans167.8161.4179.100000114.3K99 F100G97-K99 PolarHBondContact O-N 3.48Å; G97-F100 WeakPolarHBondContact O-CD2 3.47Å
98G68.3Low73.7Confident38 Ų3856.8 Ų56.839%0.39229%0.292SS..G310 helixtrans-80.21.9179.100000115.1
99K68.1Low71.9Confident29 Ų2955.6 Ų55.613%0.12629%0.287CS..G310 helixtrans-88.9-4.5-172-61-176.3-176.8-176.70114.3N42 D45 G97 S101 Y105 G110N42-K99 PolarHBondContact OD1-NZ 2.87Å; D45-K99 VanDerWaalsContact OD2-CE 3.31Å; D45-K99 WeakPolarHBondContact OD2-CE 3.31Å; D45-K99 IonicContact OD2-NZ 2.97Å; D45-K99 PolarHBondContact OD2-NZ 3.24Å; G97-K99 PolarHBondContact O-N 3.48Å; K99-S101 PolarHBondContact O-N 3.1Å; K99-Y105 HydrophobicContact CG-CD2 3.92Å; K99-Y105 HydrophobicContact CG-CE2 4Å; K99-G110 VanDerWaalsContact CB-O 3.22Å; K99-G110 WeakPolarHBondContact CB-O 3.17Å; K99-G110 WeakPolarHBondContact CD-O 3.46Å
100F61.8Low70.3Confident111 Ų11155.2 Ų55.249%0.48729%0.287SS..G310 helixtrans-77.5-5.7177.5-56.7-60.9000114.6H95 G97 L111H95-F100 HydrophobicContact CB-CZ 4.19Å; H95-F100 WeakPolarHBondContact O-CE2 3.4Å; H95-F100 WeakPolarHBondContact O-CZ 3.43Å; G97-F100 WeakPolarHBondContact O-CD2 3.47Å; F100-L111 WeakPolarHBondContact CE1-O 3.3Å
101S57.8Low68.7Low48 Ų4855.4 Ų55.434%0.33629%0.288SS..SBendtrans-135.7142178.276.20000110.5K99 K103K99-S101 PolarHBondContact O-N 3.1Å; S101-K103 PolarHBondContact O-N 2.83Å
102N59.5Low67.3Low79 Ų7958.6 Ų58.642%0.42230%0.303SS..THydrogen-bonded Turntrans-68.17.7178.4-62.2-13.9000113.7Y105 Q325N102-Y105 WeakPolarHBondContact CA-O 3.26Å; N102-Q325 PolarHBondContact ND2-NE2 2.56Å; N102-Q325 PolarHBondContact ND2-OE1 3.3Å
103K57.7Low66.1Low184 Ų18457.9 Ų57.980%0.830%0.301SS*.THydrogen-bonded Turntrans-72.8-39.1-178-69.6-176.1178.6176.60112.7S101S101-K103 PolarHBondContact O-N 2.83Å
104N56.4Low65.7Low89 Ų8952.8 Ų52.848%0.47628%0.282SS..THydrogen-bonded Turntrans-105.6-26.6-173.3-67-26.6000113
105Y58.3Low65.6Low38 Ų3851.5 Ų51.515%0.14928%0.277CS..  trans-137.5117.9178.4-57.4-86.4000108.3D45 E46 A49 R72 K99 N102 F107D45-Y105 HydrophobicContact CB-CD1 4.43Å; D45-Y105 HydrophobicContact CB-CE1 4.26Å; E46-Y105 PolarHBondContact OE1-OH 3.34Å; A49-Y105 HydrophobicContact CB-CD1 4.31Å; A49-Y105 HydrophobicContact CB-CE1 4.5Å; R72-Y105 PolarHBondContact NH2-OH 3.01Å; K99-Y105 HydrophobicContact CG-CD2 3.92Å; K99-Y105 HydrophobicContact CG-CE2 4Å; N102-Y105 WeakPolarHBondContact CA-O 3.26Å; Y105-F107 VanDerWaalsContact C-N 3.32Å
106Q61.4Low66.1Low112 Ų11246.4 Ų46.452%0.52325%0.254SS..SBendtrans-70.8-34.1176-171.6178.6800111.3
107F68.9Low67Low34 Ų3445.6 Ų45.615%0.14925%0.247CC..SBendtrans-138.2139175.7-51.9-68.9000107.9Y105 K323Y105-F107 VanDerWaalsContact C-N 3.32Å; F107-K323 HydrophobicContact CB-CB 4.22Å; F107-K323 HydrophobicContact CD1-CB 3.76Å; F107-K323 HydrophobicContact CD2-CB 3.91Å; F107-K323 HydrophobicContact CD2-CD 4.06Å; F107-K323 HydrophobicContact CD2-CG 4.45Å; F107-K323 HydrophobicContact CE1-CB 4.02Å; F107-K323 HydrophobicContact CE2-CB 4.16Å; F107-K323 HydrophobicContact CE2-CD 4.43Å; F107-K323 HydrophobicContact CG-CB 3.69Å; F107-K323 HydrophobicContact CG-CG 4.44Å; F107-K323 HydrophobicContact CZ-CB 4.22Å
108S60.7Low67.9Low7 Ų744.1 Ų44.15%0.04923%0.232CC..  trans-151.6147.3175.871.40000111.3N269S108-N269 VanDerWaalsContact O-CB 3.26Å; S108-N269 WeakPolarHBondContact O-CB 3.49Å; S108-N269 PolarHBondContact O-ND2 3.42Å
109G57Low69.2Low0 Ų042.4 Ų42.40%021%0.214CC..SBendtrans-78.2-28.5172.700000112.6D45 L111 N269 I271 K334D45-G109 PolarHBondContact OD1-N 2.77Å; G109-L111 PolarHBondContact O-N 2.86Å; G109-L111 VanDerWaalsContact O-N 3.14Å; G109-N269 WeakPolarHBondContact CA-O 3.4Å; G109-I271 VanDerWaalsContact CA-CD1 3.49Å; G109-I271 WeakPolarHBondContact O-CD1 3.16Å; G109-K334 PolarHBondContact O-NZ 3.2Å
110G58.7Low70.6Confident9 Ų941 Ų419%0.09321%0.208CC..  trans-84.378.3-178.100000113.8K99K99-G110 VanDerWaalsContact CB-O 3.22Å; K99-G110 WeakPolarHBondContact CB-O 3.17Å; K99-G110 WeakPolarHBondContact CD-O 3.46Å
111L58.6Low72.2Confident32 Ų3235.7 Ų35.717%0.16818%0.184CC..  trans-80.7-30.6-176.8-60174.1000114.9F100 G109 P327 F329F100-L111 WeakPolarHBondContact CE1-O 3.3Å; G109-L111 PolarHBondContact O-N 2.86Å; G109-L111 VanDerWaalsContact O-N 3.14Å; L111-P327 HydrophobicContact CD1-CB 4.37Å; L111-P327 HydrophobicContact CD1-CG 3.54Å; L111-P327 WeakPolarHBondContact CD1-O 3.38Å; L111-P327 HydrophobicContact CD2-CG 4.29Å; L111-P327 HydrophobicContact CG-CG 4.35Å; L111-F329 HydrophobicContact CD1-CE2 4.33Å
112H65.9Low74.1Confident68 Ų6833.4 Ų33.432%0.31517%0.168SC..SBendtrans-89.9-17.3-166.2-55.8142.2000113.6H95 V114 Q332H95-H112 PolarHBondContact ND1-O 2.85Å; H112-V114 VanDerWaalsContact C-N 3.27Å; H112-V114 HydrophobicContact CB-CG2 3.92Å; H112-V114 PolarHBondContact O-N 2.75Å; H112-Q332 PolarHBondContact CE1-OE1 2.71Å; H112-Q332 PolarHBondContact ND1-OE1 3.09Å; H112-Q332 VanDerWaalsContact ND1-OE1 3.12Å
113G66.3Low75.9Confident15 Ų1529.7 Ų29.716%0.15515%0.148CC..SBendtrans63.428.7-176.200000114.4H95 A96H95-G113 VanDerWaalsContact CA-O 3.28Å; H95-G113 WeakPolarHBondContact CA-O 3.47Å; H95-G113 PolarHBondContact N-O 2.96Å; A96-G113 PolarHBondContact N-O 2.9Å
114V79.3Confident77.8Confident7 Ų725 Ų254%0.04213%0.128CC..  trans-113.8-14.8178.7-600000113.5L94 H95 H112 I116 S117 V118L94-V114 HydrophobicContact CB-CG1 4.18Å; L94-V114 HydrophobicContact CD2-CB 4Å; L94-V114 HydrophobicContact CD2-CG1 3.97Å; H95-V114 VanDerWaalsContact CE1-CG1 3.42Å; H95-V114 WeakPolarHBondContact CE1-CG1 3.16Å; H112-V114 VanDerWaalsContact C-N 3.27Å; H112-V114 HydrophobicContact CB-CG2 3.92Å; H112-V114 PolarHBondContact O-N 2.75Å; V114-I116 PolarHBondContact O-N 2.78Å; V114-S117 WeakPolarHBondContact CA-OG 3.42Å; V114-S117 PolarHBondContact O-N 2.8Å; V114-S117 PolarHBondContact O-OG 2.82Å; V114-V118 HydrophobicContact CB-CG2 4.32Å; V114-V118 WeakPolarHBondContact O-CB 3.38Å; V114-V118 WeakPolarHBondContact O-CG2 3.41Å; V114-V118 PolarHBondContact O-N 2.74Å
115G84.4Confident79.8Confident9 Ų923.4 Ų23.49%0.09312%0.115CC..Hα-helixtrans-56.2-59.1-168.200000113.8E38 S117 V118 V119E38-G115 VanDerWaalsContact OE2-CA 3.22Å; E38-G115 WeakPolarHBondContact OE2-CA 3.44Å; G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 3.14Å; G115-V118 WeakPolarHBondContact O-CB 3.35Å; G115-V118 PolarHBondContact O-N 2.86Å; G115-V118 VanDerWaalsContact O-N 3.16Å; G115-V119 WeakPolarHBondContact O-CG2 3.47Å; G115-V119 PolarHBondContact O-N 2.86Å
116I91.4Very high81.7Confident14 Ų1421.6 Ų21.67%0.07211%0.108CC..Hα-helixtrans-68.2-31.3-176.9-161.664.7000112.8V39 I90 L91 V114 V119 N120 V165V39-I116 HydrophobicContact CG2-CD1 3.89Å; I90-I116 HydrophobicContact CB-CG2 4.39Å; I90-I116 HydrophobicContact CG1-CG2 4.5Å; I90-I116 WeakPolarHBondContact O-CG2 3.25Å; L91-I116 HydrophobicContact CD2-CG1 3.68Å; L91-I116 HydrophobicContact CG-CG1 4.43Å; V114-I116 PolarHBondContact O-N 2.78Å; I116-V119 HydrophobicContact CD1-CB 4.49Å; I116-V119 WeakPolarHBondContact O-CB 3.42Å; I116-V119 PolarHBondContact O-N 3.43Å; I116-N120 PolarHBondContact O-N 3.5Å; I116-V165 HydrophobicContact CD1-CG1 4.29Å
117S93.1Very high83.4Confident0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-70.5-32.9173.734.90000112.1R93 V114 G115 N120 A121R93-S117 PolarHBondContact O-OG 3.06Å; V114-S117 WeakPolarHBondContact CA-OG 3.42Å; V114-S117 PolarHBondContact O-N 2.8Å; V114-S117 PolarHBondContact O-OG 2.82Å; G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 3.14Å; S117-N120 PolarHBondContact O-N 2.71Å; S117-A121 WeakPolarHBondContact O-CB 3.45Å; S117-A121 PolarHBondContact O-N 3.41Å
118V93.2Very high84.8Confident4 Ų417.1 Ų17.12%0.0249%0.088CC..Hα-helixtrans-66.8-40.4170.6171.10000111.3V19 Y26 T27 L35 V114 G115 N120 A121 L122V19-V118 HydrophobicContact CG1-CB 4.2Å; V19-V118 HydrophobicContact CG1-CG1 3.92Å; V19-V118 HydrophobicContact CG1-CG2 3.88Å; V19-V118 HydrophobicContact CG2-CG2 4.04Å; Y26-V118 HydrophobicContact CD1-CG2 4.26Å; Y26-V118 HydrophobicContact CG-CG2 4.28Å; T27-V118 HydrophobicContact CG2-CG1 4.42Å; L35-V118 HydrophobicContact CD2-CG1 3.97Å; V114-V118 HydrophobicContact CB-CG2 4.32Å; V114-V118 WeakPolarHBondContact O-CB 3.38Å; V114-V118 WeakPolarHBondContact O-CG2 3.41Å; V114-V118 PolarHBondContact O-N 2.74Å; G115-V118 WeakPolarHBondContact O-CB 3.35Å; G115-V118 PolarHBondContact O-N 2.86Å; G115-V118 VanDerWaalsContact O-N 3.16Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 2.98Å; V118-A121 PolarHBondContact O-N 3.03Å; V118-L122 HydrophobicContact CG1-CD1 3.87Å; V118-L122 HydrophobicContact CG1-CG 4.4Å; V118-L122 WeakPolarHBondContact O-CG 3.28Å; V118-L122 PolarHBondContact O-N 3.37Å
119V95.5Very high86.6Confident1 Ų119 Ų191%0.00610%0.097CC..Hα-helixtrans-57.9-46.3172.7177.30000110.5L35 E38 V39 G115 I116 L122 S123 F167L35-V119 HydrophobicContact CB-CG2 4.08Å; L35-V119 HydrophobicContact CD2-CG2 4.18Å; L35-V119 WeakPolarHBondContact O-CG2 3.34Å; E38-V119 HydrophobicContact CB-CG2 4.11Å; V39-V119 HydrophobicContact CG2-CB 4.43Å; V39-V119 HydrophobicContact CG2-CG1 4Å; V39-V119 HydrophobicContact CG2-CG2 3.88Å; G115-V119 WeakPolarHBondContact O-CG2 3.47Å; G115-V119 PolarHBondContact O-N 2.86Å; I116-V119 HydrophobicContact CD1-CB 4.49Å; I116-V119 WeakPolarHBondContact O-CB 3.42Å; I116-V119 PolarHBondContact O-N 3.43Å; V119-L122 PolarHBondContact O-N 3.26Å; V119-S123 VanDerWaalsContact O-CB 3.24Å; V119-S123 WeakPolarHBondContact O-CB 3.2Å; V119-S123 PolarHBondContact O-N 3.21Å; V119-S123 PolarHBondContact O-OG 3.25Å; V119-F167 HydrophobicContact CG1-CB 4.11Å; V119-F167 HydrophobicContact CG1-CD1 4.06Å; V119-F167 HydrophobicContact CG1-CD2 3.78Å; V119-F167 HydrophobicContact CG1-CE1 4.44Å; V119-F167 HydrophobicContact CG1-CE2 4.17Å; V119-F167 HydrophobicContact CG1-CG 3.72Å; V119-F167 HydrophobicContact CG1-CZ 4.49Å
120N97Very high88.5Confident0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-62.1-46.7176-172.526.5000112.4L16 L91 I116 S117 V118 L122 S123 V126 F141 G144L16-N120 HydrophobicContact CD1-CB 4.39Å; L91-N120 HydrophobicContact CD2-CB 3.98Å; L91-N120 PolarHBondContact O-ND2 3.36Å; I116-N120 PolarHBondContact O-N 3.5Å; S117-N120 PolarHBondContact O-N 2.71Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 2.98Å; N120-L122 VanDerWaalsContact C-N 3.29Å; N120-L122 PolarHBondContact O-N 2.72Å; N120-S123 PolarHBondContact O-N 3.27Å; N120-V126 HydrophobicContact CB-CG2 4.37Å; N120-F141 WeakPolarHBondContact OD1-CB 3.36Å; N120-G144 PolarHBondContact ND2-O 3.4Å; N120-G144 WeakPolarHBondContact O-CA 3.47Å; N120-G144 PolarHBondContact O-N 3.39Å
121A96Very high90.4Very high0 Ų021.5 Ų21.50%010%0.104CC..Hα-helixtrans-59.2-37.7-179.300000113.1L16 V19 R20 S117 V118L16-A121 HydrophobicContact CB-CB 3.88Å; L16-A121 HydrophobicContact CD1-CB 4.01Å; L16-A121 HydrophobicContact CG-CB 4.42Å; V19-A121 HydrophobicContact CB-CB 3.95Å; V19-A121 HydrophobicContact CG1-CB 3.76Å; R20-A121 WeakPolarHBondContact CD-O 3.25Å; R20-A121 HydrophobicContact CG-CB 4.18Å; R20-A121 VanDerWaalsContact CG-O 3.29Å; R20-A121 WeakPolarHBondContact CG-O 3.46Å; R20-A121 PolarHBondContact NH1-O 3.04Å; S117-A121 WeakPolarHBondContact O-CB 3.45Å; S117-A121 PolarHBondContact O-N 3.41Å; V118-A121 PolarHBondContact O-N 3.03Å
122L96.6Very high92.1Very high0 Ų023.2 Ų23.20%011%0.108CC..THydrogen-bonded Turntrans-104.816.9-172.3-56.3-177.9000113.4V19 R20 P23 T27 L35 V118 V119 N120 D170 F173V19-L122 HydrophobicContact CG1-CD1 4.18Å; V19-L122 HydrophobicContact CG1-CD2 4.1Å; V19-L122 HydrophobicContact CG1-CG 4.01Å; R20-L122 HydrophobicContact CG-CD2 4.4Å; P23-L122 HydrophobicContact CB-CD1 3.85Å; P23-L122 HydrophobicContact CB-CD2 4.01Å; T27-L122 HydrophobicContact CG2-CD1 3.46Å; T27-L122 VanDerWaalsContact CG2-CD1 3.46Å; L35-L122 HydrophobicContact CD1-CB 4.12Å; L35-L122 HydrophobicContact CD2-CD1 4.38Å; V118-L122 HydrophobicContact CG1-CD1 3.87Å; V118-L122 HydrophobicContact CG1-CG 4.4Å; V118-L122 WeakPolarHBondContact O-CG 3.28Å; V118-L122 PolarHBondContact O-N 3.37Å; V119-L122 PolarHBondContact O-N 3.26Å; N120-L122 VanDerWaalsContact C-N 3.29Å; N120-L122 PolarHBondContact O-N 2.72Å; L122-D170 PolarHBondContact O-N 2.85Å; L122-F173 HydrophobicContact CB-CD2 4.26Å; L122-F173 HydrophobicContact CD2-CB 4.46Å; L122-F173 HydrophobicContact CD2-CD1 4.06Å; L122-F173 HydrophobicContact CD2-CD2 3.82Å; L122-F173 HydrophobicContact CD2-CE1 4.23Å; L122-F173 HydrophobicContact CD2-CE2 4.03Å; L122-F173 HydrophobicContact CD2-CG 3.85Å; L122-F173 HydrophobicContact CD2-CZ 4.22Å
123S97.2Very high93.3Very high0 Ų025.6 Ų25.60%012%0.123CC..EExtended strand (participates in β ladder)trans-114.8145.4175.3-62.10000111.2V119 N120 R125 N143 W168V119-S123 VanDerWaalsContact O-CB 3.24Å; V119-S123 WeakPolarHBondContact O-CB 3.2Å; V119-S123 PolarHBondContact O-N 3.21Å; V119-S123 PolarHBondContact O-OG 3.25Å; N120-S123 PolarHBondContact O-N 3.27Å; S123-R125 VanDerWaalsContact C-N 3.3Å; S123-N143 PolarHBondContact O-N 2.87Å; S123-W168 CarbonylContact C-O 3.6Å; S123-W168 WeakPolarHBondContact CA-O 3.1Å; S123-W168 VanDerWaalsContact CB-O 3.29Å; S123-W168 WeakPolarHBondContact CB-O 3.45Å
124K97.4Very high94.7Very high85 Ų8525.5 Ų25.537%0.3712%0.122SC..EExtended strand (participates in β ladder)trans-63.1-41.1170.7-69.4178.8178175.20110.5E142 N143 W168 D170 E171K124-E142 VanDerWaalsContact O-CA 3.22Å; K124-E142 WeakPolarHBondContact O-CA 3.41Å; K124-E142 WeakPolarHBondContact O-CB 3.33Å; K124-N143 PolarHBondContact O-N 3.45Å; K124-W168 HydrophobicContact CB-CB 4.44Å; K124-W168 PolarHBondContact N-O 2.88Å; K124-D170 HydrophobicContact CG-CB 3.79Å; K124-E171 IonicContact NZ-OE1 2.68Å; K124-E171 PolarHBondContact NZ-OE1 3.22Å
125R97.9Very high95.5Very high57 Ų5728.2 Ų28.222%0.21513%0.134CC..EExtended strand (participates in β ladder)trans-146.8145.8178.3-174170176.881.16.2110.6S123 E127 F141 E142 F167 W168S123-R125 VanDerWaalsContact C-N 3.3Å; R125-E127 HydrophobicContact CG-CG 4.33Å; R125-E127 IonicContact CZ-OE1 3.69Å; R125-E127 IonicContact NE-OE1 3.97Å; R125-E127 PolarHBondContact NE-OE1 3.2Å; R125-E127 IonicContact NH2-OE1 3.92Å; R125-E127 PolarHBondContact NH2-OE1 3.47Å; R125-F141 CarbonylContact C-O 3.59Å; R125-F141 VanDerWaalsContact CA-O 3.25Å; R125-F141 WeakPolarHBondContact CA-O 3.45Å; R125-E142 HydrophobicContact CB-CG 4.23Å; R125-E142 HydrophobicContact CG-CG 4.14Å; R125-E142 IonicContact CZ-OE1 3.74Å; R125-E142 IonicContact NH1-OE1 3.03Å; R125-E142 PolarHBondContact NH1-OE1 2.95Å; R125-F167 WeakPolarHBondContact O-CA 3.47Å; R125-W168 HydrophobicContact CB-CD2 4.48Å; R125-W168 HydrophobicContact CB-CE3 3.84Å; R125-W168 HydrophobicContact CB-CZ3 4.43Å; R125-W168 HydrophobicContact CG-CE3 4.13Å; R125-W168 HydrophobicContact CG-CZ3 4.22Å; R125-W168 PolarHBondContact O-N 3.44Å
126V98.3Very high96.1Very high0 Ų029.2 Ų29.20%014%0.138CC..EExtended strand (participates in β ladder)trans-132.9126.9167.9-175.90000108.7N120 V128 A140 F141 V165 H166 F167N120-V126 HydrophobicContact CB-CG2 4.37Å; V126-V128 HydrophobicContact CG1-CG2 4.04Å; V126-A140 CarbonylContact O-C 3.53Å; V126-A140 WeakPolarHBondContact O-CA 3.26Å; V126-F141 HydrophobicContact CB-CB 4.45Å; V126-F141 PolarHBondContact N-O 3.48Å; V126-F141 PolarHBondContact O-N 3.02Å; V126-V165 HydrophobicContact CG1-CG1 4.11Å; V126-H166 CarbonylContact C-O 3.53Å; V126-H166 WeakPolarHBondContact CA-O 3.15Å; V126-F167 HydrophobicContact CB-CB 4.44Å; V126-F167 HydrophobicContact CG1-CB 4.33Å; V126-F167 HydrophobicContact CG2-CB 3.84Å
127E98.2Very high96.4Very high51 Ų5130.6 Ų30.624%0.23814%0.143CC..EExtended strand (participates in β ladder)trans-113.5131.1173.1-63.3-171.9172.200109.5R125 A140 H166 W168R125-E127 HydrophobicContact CG-CG 4.33Å; R125-E127 IonicContact CZ-OE1 3.69Å; R125-E127 IonicContact NE-OE1 3.97Å; R125-E127 PolarHBondContact NE-OE1 3.2Å; R125-E127 IonicContact NH2-OE1 3.92Å; R125-E127 PolarHBondContact NH2-OE1 3.47Å; E127-A140 HydrophobicContact CG-CB 4.34Å; E127-H166 PolarHBondContact N-O 2.97Å; E127-H166 PolarHBondContact O-N 3.26Å; E127-W168 HydrophobicContact CG-CZ3 4.1Å
128V98.2Very high96.7Very high0 Ų031.5 Ų31.50%015%0.148CC..EExtended strand (participates in β ladder)trans-123.4122.3179.1-176.20000109.8M74 V87 L91 V126 V130 N138 I139 T163 S164 V165M74-V128 HydrophobicContact SD-CG1 4.18Å; V87-V128 HydrophobicContact CG2-CG1 4.16Å; L91-V128 HydrophobicContact CD1-CG2 3.73Å; V126-V128 HydrophobicContact CG1-CG2 4.04Å; V128-V130 HydrophobicContact CG1-CG2 4Å; V128-N138 WeakPolarHBondContact O-CA 3.46Å; V128-I139 HydrophobicContact CB-CG2 3.79Å; V128-I139 HydrophobicContact CG1-CG2 4.5Å; V128-I139 PolarHBondContact N-O 3.25Å; V128-I139 PolarHBondContact O-N 3.14Å; V128-T163 HydrophobicContact CG1-CG2 3.9Å; V128-S164 CarbonylContact C-O 3.6Å; V128-S164 WeakPolarHBondContact CA-O 3.21Å; V128-V165 HydrophobicContact CG1-CG2 4.29Å; V128-V165 HydrophobicContact CG2-CG1 4.4Å; V128-V165 HydrophobicContact CG2-CG2 4.24Å
129N97.8Very high96.9Very high46 Ų4631.3 Ų31.325%0.24615%0.147CC..EExtended strand (participates in β ladder)trans-110.2120.4174.8-69.3-73.4000109.6Y137 N138 T163 S164N129-Y137 CarbonylContact C-O 3.58Å; N129-Y137 VanDerWaalsContact CA-O 3.31Å; N129-Y137 WeakPolarHBondContact CA-O 3.24Å; N129-N138 PolarHBondContact OD1-ND2 3.35Å; N129-T163 CarbonylContact O-C 3.57Å; N129-T163 WeakPolarHBondContact O-CA 3.42Å; N129-S164 PolarHBondContact N-O 2.93Å; N129-S164 PolarHBondContact O-N 3.38Å
130V97.8Very high97Very high0 Ų031.3 Ų31.30%015%0.146CC..EExtended strand (participates in β ladder)trans-113.6123.9-179.6-173.50000109.8M74 V76 V128 R132 V136 Y137 T163M74-V130 HydrophobicContact CB-CG2 4.14Å; M74-V130 WeakPolarHBondContact O-CG1 3.27Å; V76-V130 HydrophobicContact CG1-CB 4.01Å; V76-V130 HydrophobicContact CG1-CG1 3.86Å; V76-V130 HydrophobicContact CG1-CG2 4.3Å; V128-V130 HydrophobicContact CG1-CG2 4Å; V130-R132 HydrophobicContact CG1-CB 4.1Å; V130-V136 WeakPolarHBondContact O-CA 3.48Å; V130-Y137 PolarHBondContact N-O 3.25Å; V130-Y137 PolarHBondContact O-N 3.29Å; V130-T163 HydrophobicContact CG2-CG2 4.37Å
131R97.5Very high97.1Very high62 Ų6231.3 Ų31.323%0.23415%0.146CC..EExtended strand (participates in β ladder)trans-98.5109.9170.4-62.9174-70-177.7-10.6108.2D69 Q135 V136 N160 T161 G162D69-R131 PolarHBondContact O-NH2 2.92Å; R131-Q135 WeakPolarHBondContact CA-O 3.38Å; R131-V136 HydrophobicContact CG-CG2 4.4Å; R131-N160 WeakPolarHBondContact CB-O 3.09Å; R131-N160 WeakPolarHBondContact CD-OD1 3.47Å; R131-N160 PolarHBondContact NH1-OD1 3.49Å; R131-T161 CarbonylContact O-C 3.56Å; R131-T161 VanDerWaalsContact O-CA 3.23Å; R131-T161 WeakPolarHBondContact O-CA 3.36Å; R131-G162 PolarHBondContact N-O 3.49Å; R131-G162 PolarHBondContact O-N 3.15Å
132R94.8Very high97.1Very high69 Ų6935 Ų3526%0.2616%0.164SC..EExtended strand (participates in β ladder)trans-154.3142.5-177.8-166173.7176.4100.4-3.6110.9R72 G73 V130 G134 Q135 Y137R72-R132 PolarHBondContact O-NH1 3.14Å; G73-R132 PolarHBondContact O-NH1 2.85Å; V130-R132 HydrophobicContact CG1-CB 4.1Å; R132-G134 PolarHBondContact O-N 3.46Å; R132-G134 VanDerWaalsContact O-N 3.08Å; R132-Q135 PolarHBondContact N-O 2.98Å; R132-Q135 PolarHBondContact O-N 2.83Å; R132-Y137 HydrophobicContact CB-CE2 4.49Å
133D92.3Very high97Very high118 Ų11838.5 Ų38.563%0.63118%0.182SC*.THydrogen-bonded Turntrans54.927.9178.2-59.1-42.1000115.2Q135D133-Q135 VanDerWaalsContact C-N 3.3Å
134G94.3Very high96.8Very high12 Ų1238.6 Ų38.612%0.12418%0.183CC..THydrogen-bonded Turntrans78.79.5-178.300000114.7R132 T155 C156R132-G134 PolarHBondContact O-N 3.46Å; R132-G134 VanDerWaalsContact O-N 3.08Å; G134-T155 WeakPolarHBondContact O-CA 3.38Å; G134-C156 CarbonylContact C-O 3.53Å; G134-C156 VanDerWaalsContact C-SG 3.52Å; G134-C156 WeakPolarHBondContact CA-O 3.46Å; G134-C156 PolarHBondContact O-N 3.41Å; G134-C156 VanDerWaalsContact O-O 3.08Å
135Q96.9Very high96.6Very high65 Ų6540.8 Ų40.830%0.30420%0.195SC..EExtended strand (participates in β ladder)trans-114.8153.5176.8-59.5-70.820.200110.5R131 R132 D133 Y137 V152 G154R131-Q135 WeakPolarHBondContact CA-O 3.38Å; R132-Q135 PolarHBondContact N-O 2.98Å; R132-Q135 PolarHBondContact O-N 2.83Å; D133-Q135 VanDerWaalsContact C-N 3.3Å; Q135-Y137 HydrophobicContact CB-CD2 4.18Å; Q135-Y137 HydrophobicContact CB-CE2 3.5Å; Q135-Y137 HydrophobicContact CG-CE2 4.44Å; Q135-V152 HydrophobicContact CB-CG1 4.31Å; Q135-G154 PolarHBondContact OE1-O 3.17Å
136V97.4Very high96.5Very high30 Ų3041.2 Ų41.218%0.18220%0.198CC..EExtended strand (participates in β ladder)trans-108.7114.8169.7-172.90000107.8V130 R131 V152 V153 G154 C156V130-V136 WeakPolarHBondContact O-CA 3.48Å; R131-V136 HydrophobicContact CG-CG2 4.4Å; V136-V152 CarbonylContact O-C 3.56Å; V136-V152 WeakPolarHBondContact O-CA 3.17Å; V136-V153 HydrophobicContact CB-CG2 4.18Å; V136-V153 HydrophobicContact CG1-CG2 3.78Å; V136-V153 WeakPolarHBondContact O-CG2 3.47Å; V136-V153 PolarHBondContact O-N 3.31Å; V136-G154 PolarHBondContact N-O 3.35Å; V136-G154 PolarHBondContact O-N 3.17Å; V136-C156 HydrophobicContact CG2-CB 3.96Å
137Y98Very high96.5Very high43 Ų4344.7 Ų44.717%0.16922%0.219CC..EExtended strand (participates in β ladder)trans-100.9146.1176.8-56.4-96.4000110.1V76 N129 V130 R132 Q135 L150 Q151 V152V76-Y137 HydrophobicContact CB-CD1 4.49Å; V76-Y137 HydrophobicContact CB-CD2 4.45Å; V76-Y137 HydrophobicContact CB-CE2 4.49Å; V76-Y137 HydrophobicContact CB-CG 4.46Å; V76-Y137 HydrophobicContact CG1-CD1 4.49Å; V76-Y137 HydrophobicContact CG1-CD2 3.92Å; V76-Y137 HydrophobicContact CG1-CE2 4.36Å; V76-Y137 HydrophobicContact CG1-CG 4Å; V76-Y137 HydrophobicContact CG2-CD2 4.31Å; V76-Y137 HydrophobicContact CG2-CE1 4.34Å; V76-Y137 HydrophobicContact CG2-CE2 3.9Å; N129-Y137 CarbonylContact C-O 3.58Å; N129-Y137 VanDerWaalsContact CA-O 3.31Å; N129-Y137 WeakPolarHBondContact CA-O 3.24Å; V130-Y137 PolarHBondContact N-O 3.25Å; V130-Y137 PolarHBondContact O-N 3.29Å; R132-Y137 HydrophobicContact CB-CE2 4.49Å; Q135-Y137 HydrophobicContact CB-CD2 4.18Å; Q135-Y137 HydrophobicContact CB-CE2 3.5Å; Q135-Y137 HydrophobicContact CG-CE2 4.44Å; Y137-L150 HydrophobicContact CD1-CD2 4.45Å; Y137-L150 HydrophobicContact CD1-CG 4.33Å; Y137-Q151 CarbonylContact C-O 3.33Å; Y137-Q151 VanDerWaalsContact CA-O 3.28Å; Y137-Q151 WeakPolarHBondContact CA-O 3.44Å; Y137-V152 HydrophobicContact CD1-CG2 3.75Å; Y137-V152 HydrophobicContact CE1-CG2 3.51Å
138N98Very high96.4Very high19 Ų1944.7 Ų44.710%0.10222%0.219CC..EExtended strand (participates in β ladder)trans-134.3137.4175.5179.3-100.4000110.4V128 N129 Q148 Q151 V153V128-N138 WeakPolarHBondContact O-CA 3.46Å; N129-N138 PolarHBondContact OD1-ND2 3.35Å; N138-Q148 PolarHBondContact OD1-NE2 3.13Å; N138-Q151 PolarHBondContact N-O 2.9Å; N138-Q151 PolarHBondContact O-N 3.18Å; N138-V153 HydrophobicContact CB-CB 4.37Å; N138-V153 HydrophobicContact CB-CG1 3.59Å; N138-V153 HydrophobicContact CB-CG2 3.83Å
139I98.2Very high96.3Very high0 Ų049.8 Ų49.80%025%0.247CC..EExtended strand (participates in β ladder)trans-141.4147175.6-171.1171.3000108.7V87 E88 V128 F141 K146 Q148 L150V87-I139 HydrophobicContact CG1-CD1 4.36Å; V87-I139 HydrophobicContact CG1-CG2 4.41Å; V87-I139 HydrophobicContact CG2-CG2 4.14Å; E88-I139 HydrophobicContact CB-CD1 3.93Å; E88-I139 HydrophobicContact CG-CD1 4.48Å; V128-I139 HydrophobicContact CB-CG2 3.79Å; V128-I139 HydrophobicContact CG1-CG2 4.5Å; V128-I139 PolarHBondContact N-O 3.25Å; V128-I139 PolarHBondContact O-N 3.14Å; I139-F141 HydrophobicContact CB-CE2 4.37Å; I139-F141 HydrophobicContact CD1-CE1 4.35Å; I139-F141 HydrophobicContact CD1-CE2 3.89Å; I139-F141 HydrophobicContact CD1-CZ 3.44Å; I139-F141 VanDerWaalsContact CD1-CZ 3.44Å; I139-F141 HydrophobicContact CG1-CE2 3.71Å; I139-F141 HydrophobicContact CG1-CZ 3.74Å; I139-F141 HydrophobicContact CG2-CE2 3.94Å; I139-K146 HydrophobicContact CD1-CD 4.39Å; I139-Q148 VanDerWaalsContact CG1-O 3.3Å; I139-Q148 WeakPolarHBondContact CG1-O 3.49Å; I139-L150 HydrophobicContact CB-CB 4.49Å; I139-L150 HydrophobicContact CB-CD1 3.84Å; I139-L150 HydrophobicContact CD1-CB 4.28Å; I139-L150 HydrophobicContact CG2-CD1 4.11Å
140A97.9Very high96.2Very high0 Ų049.4 Ų49.40%024%0.244CC..EExtended strand (participates in β ladder)trans-138.7146.4-177.900000112.8V126 E127 V147 Q148V126-A140 CarbonylContact O-C 3.53Å; V126-A140 WeakPolarHBondContact O-CA 3.26Å; E127-A140 HydrophobicContact CG-CB 4.34Å; A140-V147 HydrophobicContact CB-CG2 4.07Å; A140-V147 WeakPolarHBondContact O-CG2 3.39Å; A140-V147 PolarHBondContact O-N 3.34Å; A140-Q148 HydrophobicContact CB-CB 3.87Å; A140-Q148 PolarHBondContact O-N 3.06Å; A140-Q148 VanDerWaalsContact O-N 3.12Å
141F98Very high96.1Very high0 Ų054.1 Ų54.10%027%0.267CS..EExtended strand (participates in β ladder)trans-132.5149.8-177.4-54.6-96.5000110.3E88 L91 C92 N120 R125 V126 I139 E145 K146E88-F141 HydrophobicContact CG-CE1 4.48Å; L91-F141 HydrophobicContact CB-CE1 4.07Å; L91-F141 HydrophobicContact CB-CE2 4.07Å; L91-F141 HydrophobicContact CB-CZ 3.77Å; L91-F141 HydrophobicContact CD1-CD2 4.03Å; L91-F141 HydrophobicContact CD1-CE2 3.26Å; L91-F141 HydrophobicContact CD1-CZ 3.66Å; L91-F141 HydrophobicContact CG-CE2 4.17Å; L91-F141 HydrophobicContact CG-CZ 4.31Å; C92-F141 WeakPolarHBondContact SG-CE1 3.45Å; N120-F141 WeakPolarHBondContact OD1-CB 3.36Å; R125-F141 CarbonylContact C-O 3.59Å; R125-F141 VanDerWaalsContact CA-O 3.25Å; R125-F141 WeakPolarHBondContact CA-O 3.45Å; V126-F141 HydrophobicContact CB-CB 4.45Å; V126-F141 PolarHBondContact N-O 3.48Å; V126-F141 PolarHBondContact O-N 3.02Å; I139-F141 HydrophobicContact CB-CE2 4.37Å; I139-F141 HydrophobicContact CD1-CE1 4.35Å; I139-F141 HydrophobicContact CD1-CE2 3.89Å; I139-F141 HydrophobicContact CD1-CZ 3.44Å; I139-F141 VanDerWaalsContact CD1-CZ 3.44Å; I139-F141 HydrophobicContact CG1-CE2 3.71Å; I139-F141 HydrophobicContact CG1-CZ 3.74Å; I139-F141 HydrophobicContact CG2-CE2 3.94Å; F141-E145 CarbonylContact C-O 3.56Å; F141-E145 WeakPolarHBondContact CA-O 3.38Å; F141-E145 WeakPolarHBondContact CB-O 3.34Å; F141-K146 HydrophobicContact CD1-CB 3.88Å; F141-K146 HydrophobicContact CD1-CG 4.46Å; F141-K146 HydrophobicContact CE1-CB 3.83Å; F141-K146 HydrophobicContact CE1-CG 4.18Å
142E97.3Very high96.1Very high79 Ų7954.8 Ų54.837%0.36928%0.277SS..EExtended strand (participates in β ladder)trans-135.8131.9172-66.9177.4-178.900109.7K124 R125 G144 E145 V147K124-E142 VanDerWaalsContact O-CA 3.22Å; K124-E142 WeakPolarHBondContact O-CA 3.41Å; K124-E142 WeakPolarHBondContact O-CB 3.33Å; R125-E142 HydrophobicContact CB-CG 4.23Å; R125-E142 HydrophobicContact CG-CG 4.14Å; R125-E142 IonicContact CZ-OE1 3.74Å; R125-E142 IonicContact NH1-OE1 3.03Å; R125-E142 PolarHBondContact NH1-OE1 2.95Å; E142-G144 PolarHBondContact O-N 2.94Å; E142-E145 PolarHBondContact N-O 2.88Å; E142-E145 PolarHBondContact O-N 3.27Å; E142-V147 HydrophobicContact CB-CG1 3.7Å; E142-V147 HydrophobicContact CG-CB 4.48Å; E142-V147 HydrophobicContact CG-CG1 3.86Å; E142-V147 HydrophobicContact CG-CG2 3.87Å
143N93.8Very high96.2Very high72 Ų7255.1 Ų55.139%0.38529%0.287SS..THydrogen-bonded Turntrans54.931.7-179.7-56.7-68.3000114.8R20 S123 K124 E145R20-N143 PolarHBondContact NH1-O 3.35Å; S123-N143 PolarHBondContact O-N 2.87Å; K124-N143 PolarHBondContact O-N 3.45Å; N143-E145 VanDerWaalsContact C-N 3.31Å
144G92.8Very high96.4Very high2 Ų250.9 Ų50.92%0.02127%0.271CS..THydrogen-bonded Turntrans86.9-9.5-175.600000115N120 E142N120-G144 PolarHBondContact ND2-O 3.4Å; N120-G144 WeakPolarHBondContact O-CA 3.47Å; N120-G144 PolarHBondContact O-N 3.39Å; E142-G144 PolarHBondContact O-N 2.94Å
145E93.9Very high96.4Very high131 Ų13155.9 Ų55.961%0.61230%0.299SS*.EExtended strand (participates in β ladder)trans-104.1144.3-176-64.4-62.7155.300111.6F141 E142 N143 V147F141-E145 CarbonylContact C-O 3.56Å; F141-E145 WeakPolarHBondContact CA-O 3.38Å; F141-E145 WeakPolarHBondContact CB-O 3.34Å; E142-E145 PolarHBondContact N-O 2.88Å; E142-E145 PolarHBondContact O-N 3.27Å; N143-E145 VanDerWaalsContact C-N 3.31Å; E145-V147 PolarHBondContact O-N 3.32Å
146K95.7Very high96.3Very high67 Ų6754 Ų5429%0.29129%0.292SS..EExtended strand (participates in β ladder)trans-69.8126.3177.1-178.2178.859.3171.50110.5E88 I139 F141 Q148 D149E88-K146 HydrophobicContact CG-CD 4.16Å; E88-K146 VanDerWaalsContact OE1-CE 3.24Å; E88-K146 WeakPolarHBondContact OE1-CE 3.5Å; E88-K146 IonicContact OE1-NZ 3.17Å; E88-K146 PolarHBondContact OE1-NZ 2.7Å; E88-K146 WeakPolarHBondContact OE2-CD 3.47Å; E88-K146 IonicContact OE2-NZ 2.73Å; E88-K146 PolarHBondContact OE2-NZ 3.44Å; I139-K146 HydrophobicContact CD1-CD 4.39Å; F141-K146 HydrophobicContact CD1-CB 3.88Å; F141-K146 HydrophobicContact CD1-CG 4.46Å; F141-K146 HydrophobicContact CE1-CB 3.83Å; F141-K146 HydrophobicContact CE1-CG 4.18Å; K146-Q148 WeakPolarHBondContact CG-O 3.42Å; K146-D149 WeakPolarHBondContact CE-OD1 3.41Å; K146-D149 IonicContact NZ-OD1 2.86Å; K146-D149 PolarHBondContact NZ-OD1 3.33Å
147V97Very high96.1Very high72 Ų7254.8 Ų54.844%0.43631%0.307SS..EExtended strand (participates in β ladder)trans-111.1-16.9175.6-63.60000113.3A140 E142 E145A140-V147 HydrophobicContact CB-CG2 4.07Å; A140-V147 WeakPolarHBondContact O-CG2 3.39Å; A140-V147 PolarHBondContact O-N 3.34Å; E142-V147 HydrophobicContact CB-CG1 3.7Å; E142-V147 HydrophobicContact CG-CB 4.48Å; E142-V147 HydrophobicContact CG-CG1 3.86Å; E142-V147 HydrophobicContact CG-CG2 3.87Å; E145-V147 PolarHBondContact O-N 3.32Å
148Q95.9Very high95.7Very high51 Ų5161.3 Ų61.324%0.23834%0.336CS..EExtended strand (participates in β ladder)trans-139.5128.4178-168.5-170.3-57.200109.7N138 I139 A140 K146N138-Q148 PolarHBondContact OD1-NE2 3.13Å; I139-Q148 VanDerWaalsContact CG1-O 3.3Å; I139-Q148 WeakPolarHBondContact CG1-O 3.49Å; A140-Q148 HydrophobicContact CB-CB 3.87Å; A140-Q148 PolarHBondContact O-N 3.06Å; A140-Q148 VanDerWaalsContact O-N 3.12Å; K146-Q148 WeakPolarHBondContact CG-O 3.42Å
149D95.9Very high95.4Very high108 Ų10872.2 Ų72.258%0.57838%0.376SS*.EExtended strand (participates in β ladder)trans-66.6154.6174.1-72.1-41.5000112.1K146 Q151K146-D149 WeakPolarHBondContact CE-OD1 3.41Å; K146-D149 IonicContact NZ-OD1 2.86Å; K146-D149 PolarHBondContact NZ-OD1 3.33Å; D149-Q151 PolarHBondContact O-N 2.81Å; D149-Q151 VanDerWaalsContact O-N 3.11Å
150L96.6Very high95.2Very high38 Ų3875.6 Ų75.620%0.19939%0.394CS..EExtended strand (participates in β ladder)trans-61.3114.4175.4-172.570.2000110.2V76 P85 V87 Y137 I139V76-L150 HydrophobicContact CB-CD2 3.95Å; V76-L150 HydrophobicContact CG1-CD2 4.3Å; P85-L150 HydrophobicContact CB-CD2 3.75Å; P85-L150 HydrophobicContact CG-CB 4.2Å; P85-L150 HydrophobicContact CG-CD2 4.06Å; V87-L150 HydrophobicContact CG1-CD1 3.89Å; V87-L150 HydrophobicContact CG1-CD2 4.02Å; Y137-L150 HydrophobicContact CD1-CD2 4.45Å; Y137-L150 HydrophobicContact CD1-CG 4.33Å; I139-L150 HydrophobicContact CB-CB 4.49Å; I139-L150 HydrophobicContact CB-CD1 3.84Å; I139-L150 HydrophobicContact CD1-CB 4.28Å; I139-L150 HydrophobicContact CG2-CD1 4.11Å
151Q96.2Very high95.1Very high99 Ų9977.6 Ų77.646%0.46341%0.406SS..EExtended strand (participates in β ladder)trans-128.2149.2-179.957.2172.9-11.500112Y137 N138 D149 V153Y137-Q151 CarbonylContact C-O 3.33Å; Y137-Q151 VanDerWaalsContact CA-O 3.28Å; Y137-Q151 WeakPolarHBondContact CA-O 3.44Å; N138-Q151 PolarHBondContact N-O 2.9Å; N138-Q151 PolarHBondContact O-N 3.18Å; D149-Q151 PolarHBondContact O-N 2.81Å; D149-Q151 VanDerWaalsContact O-N 3.11Å; Q151-V153 HydrophobicContact CG-CG1 3.95Å; Q151-V153 PolarHBondContact O-N 3.01Å
152V97Very high95.1Very high75 Ų7577.6 Ų77.646%0.45541%0.406SS..EExtended strand (participates in β ladder)trans-78.6114.1170.7-179.80000108.4Q135 V136 Y137Q135-V152 HydrophobicContact CB-CG1 4.31Å; V136-V152 CarbonylContact O-C 3.56Å; V136-V152 WeakPolarHBondContact O-CA 3.17Å; Y137-V152 HydrophobicContact CD1-CG2 3.75Å; Y137-V152 HydrophobicContact CE1-CG2 3.51Å
153V96.9Very high95.1Very high77 Ų7774.1 Ų74.147%0.46739%0.391SS..EExtended strand (participates in β ladder)trans-101.2-9.5-178.8-65.10000113.3V136 N138 Q151V136-V153 HydrophobicContact CB-CG2 4.18Å; V136-V153 HydrophobicContact CG1-CG2 3.78Å; V136-V153 WeakPolarHBondContact O-CG2 3.47Å; V136-V153 PolarHBondContact O-N 3.31Å; N138-V153 HydrophobicContact CB-CB 4.37Å; N138-V153 HydrophobicContact CB-CG1 3.59Å; N138-V153 HydrophobicContact CB-CG2 3.83Å; Q151-V153 HydrophobicContact CG-CG1 3.95Å; Q151-V153 PolarHBondContact O-N 3.01Å
154G95.8Very high95.3Very high28 Ų2871.2 Ų71.229%0.28938%0.376SS..EExtended strand (participates in β ladder)trans-178.9-175.4179.100000113.3Q135 V136Q135-G154 PolarHBondContact OE1-O 3.17Å; V136-G154 PolarHBondContact N-O 3.35Å; V136-G154 PolarHBondContact O-N 3.17Å
155T96Very high95.6Very high117 Ų11771.3 Ų71.372%0.71838%0.376SS*.EExtended strand (participates in β ladder)trans-117.5152.8176.260.10000110.4G134G134-T155 WeakPolarHBondContact O-CA 3.38Å
156C94.1Very high95.8Very high25 Ų2566.3 Ų66.317%0.16935%0.352CS..  trans-136166.5173.6660000110.4G134 V136 N160G134-C156 CarbonylContact C-O 3.53Å; G134-C156 VanDerWaalsContact C-SG 3.52Å; G134-C156 WeakPolarHBondContact CA-O 3.46Å; G134-C156 PolarHBondContact O-N 3.41Å; G134-C156 VanDerWaalsContact O-O 3.08Å; V136-C156 HydrophobicContact CG2-CB 3.96Å; C156-N160 HydrophobicContact CB-CB 4.39Å; C156-N160 PolarHBondContact SG-O 3.49Å; C156-N160 VanDerWaalsContact SG-O 3.35Å
157G93.5Very high95.9Very high47 Ų4763.1 Ų63.149%0.48534%0.339SS..  trans-62.7141.9170.600000110.5R159 N160G157-R159 PolarHBondContact O-N 3.03Å; G157-N160 WeakPolarHBondContact O-CA 3.48Å; G157-N160 WeakPolarHBondContact O-CB 3.37Å; G157-N160 PolarHBondContact O-N 3.33Å
158K89.5Confident96Very high181 Ų18162.4 Ų62.479%0.78733%0.328SS*.THydrogen-bonded Turntrans-56.1-23.3-177.9-69.6-171.9175.9-173.10115.3
159R91.2Very high96.1Very high248 Ų24860.7 Ų60.794%0.93632%0.321SS*.THydrogen-bonded Turntrans-89.9-8.3176.6-65.9-175178.5176.1-1.1113.7G157 T161G157-R159 PolarHBondContact O-N 3.03Å; R159-T161 PolarHBondContact O-N 3.48Å
160N93.7Very high96.1Very high71 Ų7156.2 Ų56.238%0.3830%0.297SS..  trans-92.190.4177.6-177.12.2000107.8R131 C156 G157R131-N160 WeakPolarHBondContact CB-O 3.09Å; R131-N160 WeakPolarHBondContact CD-OD1 3.47Å; R131-N160 PolarHBondContact NH1-OD1 3.49Å; C156-N160 HydrophobicContact CB-CB 4.39Å; C156-N160 PolarHBondContact SG-O 3.49Å; C156-N160 VanDerWaalsContact SG-O 3.35Å; G157-N160 WeakPolarHBondContact O-CA 3.48Å; G157-N160 WeakPolarHBondContact O-CB 3.37Å; G157-N160 PolarHBondContact O-N 3.33Å
161T97.1Very high96Very high42 Ų4259.6 Ų59.626%0.25831%0.312SS..  trans-112.2166.6178.754.40000110.8D70 G71 R131 R159D70-T161 WeakPolarHBondContact CA-O 3.38Å; G71-T161 CarbonylContact O-C 3.56Å; G71-T161 WeakPolarHBondContact O-CB 3.5Å; G71-T161 PolarHBondContact O-OG1 3.05Å; R131-T161 CarbonylContact O-C 3.56Å; R131-T161 VanDerWaalsContact O-CA 3.23Å; R131-T161 WeakPolarHBondContact O-CA 3.36Å; R159-T161 PolarHBondContact O-N 3.48Å
162G97.2Very high95.9Very high0 Ų059.9 Ų59.90%032%0.321CS..EExtended strand (participates in β ladder)trans136.9179.9172.200000113.1D69 G71 R131D69-G162 WeakPolarHBondContact O-CA 3.48Å; D69-G162 WeakPolarHBondContact OD1-CA 3.34Å; G71-G162 WeakPolarHBondContact O-CA 3.45Å; G71-G162 PolarHBondContact O-N 2.93Å; R131-G162 PolarHBondContact N-O 3.49Å; R131-G162 PolarHBondContact O-N 3.15Å
163T97.9Very high95.7Very high6 Ų658 Ų584%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-124.1141.7-178.6-45.30000110.4I68 D69 G73 M74 V128 N129 V130 V165I68-T163 CarbonylContact C-O 3.55Å; I68-T163 WeakPolarHBondContact CA-O 3.37Å; D69-T163 PolarHBondContact N-O 2.87Å; D69-T163 PolarHBondContact O-N 3.19Å; D69-T163 PolarHBondContact OD1-N 3.44Å; G73-T163 WeakPolarHBondContact CA-OG1 3.3Å; M74-T163 HydrophobicContact CE-CG2 4.2Å; M74-T163 HydrophobicContact CG-CG2 4Å; M74-T163 PolarHBondContact N-OG1 2.94Å; M74-T163 HydrophobicContact SD-CG2 3.99Å; V128-T163 HydrophobicContact CG1-CG2 3.9Å; N129-T163 CarbonylContact O-C 3.57Å; N129-T163 WeakPolarHBondContact O-CA 3.42Å; V130-T163 HydrophobicContact CG2-CG2 4.37Å; T163-V165 HydrophobicContact CG2-CG2 3.95Å
164S98.1Very high95.6Very high11 Ų1155 Ų558%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-115.1131160.6155.50000108.3E66 V67 V128 N129E66-S164 PolarHBondContact OE1-OG 2.92Å; V67-S164 CarbonylContact O-C 3.55Å; V67-S164 WeakPolarHBondContact O-CA 3.42Å; V128-S164 CarbonylContact C-O 3.6Å; V128-S164 WeakPolarHBondContact CA-O 3.21Å; N129-S164 PolarHBondContact N-O 2.93Å; N129-S164 PolarHBondContact O-N 3.38Å
165V98.3Very high95.4Very high4 Ų460.2 Ų60.22%0.02431%0.309CS..EExtended strand (participates in β ladder)trans-123.3116.7174179.20000108V39 E66 V67 M74 I116 V126 V128 T163V39-V165 HydrophobicContact CG1-CB 3.71Å; V39-V165 HydrophobicContact CG1-CG1 3.91Å; V39-V165 HydrophobicContact CG1-CG2 4.18Å; V39-V165 HydrophobicContact CG2-CG1 4.38Å; E66-V165 CarbonylContact C-O 3.6Å; E66-V165 VanDerWaalsContact CA-O 3.31Å; E66-V165 WeakPolarHBondContact CA-O 3.45Å; V67-V165 PolarHBondContact N-O 2.96Å; V67-V165 PolarHBondContact O-N 3.26Å; M74-V165 HydrophobicContact CE-CG2 4.26Å; I116-V165 HydrophobicContact CD1-CG1 4.29Å; V126-V165 HydrophobicContact CG1-CG1 4.11Å; V128-V165 HydrophobicContact CG1-CG2 4.29Å; V128-V165 HydrophobicContact CG2-CG1 4.4Å; V128-V165 HydrophobicContact CG2-CG2 4.24Å; T163-V165 HydrophobicContact CG2-CG2 3.95Å
166H98.5Very high95.2Very high25 Ų2556.6 Ų56.612%0.11629%0.288CS..EExtended strand (participates in β ladder)trans-116.2121.8177.8-168.5178.9000109.3H60 S64 L65 E66 V126 E127 W168H60-H166 AromaticContact CD2-CE1 3.73Å; H60-H166 AromaticContact CD2-NE2 3.29Å; H60-H166 PolarHBondContact CD2-NE2 3.03Å; H60-H166 VanDerWaalsContact CD2-NE2 3.29Å; H60-H166 AromaticContact CE1-CE1 3.99Å; H60-H166 AromaticContact CG-NE2 3.97Å; H60-H166 AromaticContact NE2-CE1 3.55Å; H60-H166 AromaticContact NE2-NE2 3.54Å; S64-H166 WeakPolarHBondContact CB-NE2 3.25Å; S64-H166 PolarHBondContact OG-NE2 2.81Å; L65-H166 WeakPolarHBondContact O-CA 3.24Å; L65-H166 PolarHBondContact O-CD2 2.92Å; E66-H166 HydrophobicContact CB-CB 4.15Å; E66-H166 HydrophobicContact CG-CB 3.99Å; V126-H166 CarbonylContact C-O 3.53Å; V126-H166 WeakPolarHBondContact CA-O 3.15Å; E127-H166 PolarHBondContact N-O 2.97Å; E127-H166 PolarHBondContact O-N 3.26Å; H166-W168 HydrophobicContact CB-CH2 4.3Å; H166-W168 HydrophobicContact CB-CZ3 4.25Å; H166-W168 AromaticContact CD2-CH2 3.72Å; H166-W168 AromaticContact CD2-CZ2 3.96Å; H166-W168 AromaticContact CD2-CZ3 3.95Å; H166-W168 AromaticContact CE1-CH2 3.37Å; H166-W168 WeakPolarHBondContact CE1-CH2 3.16Å; H166-W168 AromaticContact CE1-CZ2 3.3Å; H166-W168 WeakPolarHBondContact CE1-CZ2 3.44Å; H166-W168 AromaticContact CG-CH2 3.52Å; H166-W168 AromaticContact CG-CZ3 3.82Å; H166-W168 AromaticContact ND1-CH2 3.3Å; H166-W168 VanDerWaalsContact ND1-CH2 3.3Å; H166-W168 WeakPolarHBondContact ND1-CH2 3.37Å; H166-W168 AromaticContact ND1-CZ2 3.77Å; H166-W168 AromaticContact NE2-CE2 3.91Å; H166-W168 AromaticContact NE2-CH2 3.61Å; H166-W168 AromaticContact NE2-CZ2 3.41Å; H166-W168 WeakPolarHBondContact NE2-CZ2 3.32Å
167F98.4Very high95Very high0 Ų057.9 Ų57.90%030%0.296CS..EExtended strand (participates in β ladder)trans-135148-176.868.6-82000113.2L35 V39 S64 L65 V119 R125 V126 P169 F179L35-F167 HydrophobicContact CB-CE2 3.91Å; L35-F167 HydrophobicContact CB-CZ 4.3Å; L35-F167 HydrophobicContact CD1-CE2 4.42Å; V39-F167 HydrophobicContact CB-CE1 4.44Å; V39-F167 HydrophobicContact CG2-CD1 4.16Å; V39-F167 HydrophobicContact CG2-CE1 3.78Å; V39-F167 HydrophobicContact CG2-CZ 4.45Å; S64-F167 WeakPolarHBondContact CA-O 3.49Å; S64-F167 VanDerWaalsContact CB-O 3.24Å; S64-F167 WeakPolarHBondContact CB-O 3.18Å; L65-F167 HydrophobicContact CB-CD1 4.42Å; L65-F167 HydrophobicContact CB-CE1 3.71Å; L65-F167 HydrophobicContact CB-CE2 4.44Å; L65-F167 HydrophobicContact CB-CZ 3.72Å; L65-F167 HydrophobicContact CD2-CE1 3.94Å; L65-F167 HydrophobicContact CD2-CZ 3.82Å; L65-F167 HydrophobicContact CG-CE1 4.26Å; L65-F167 HydrophobicContact CG-CZ 4.36Å; L65-F167 PolarHBondContact N-O 2.63Å; L65-F167 VanDerWaalsContact O-CD1 3.26Å; L65-F167 WeakPolarHBondContact O-CD1 3.36Å; L65-F167 PolarHBondContact O-N 3.44Å; V119-F167 HydrophobicContact CG1-CB 4.11Å; V119-F167 HydrophobicContact CG1-CD1 4.06Å; V119-F167 HydrophobicContact CG1-CD2 3.78Å; V119-F167 HydrophobicContact CG1-CE1 4.44Å; V119-F167 HydrophobicContact CG1-CE2 4.17Å; V119-F167 HydrophobicContact CG1-CG 3.72Å; V119-F167 HydrophobicContact CG1-CZ 4.49Å; R125-F167 WeakPolarHBondContact O-CA 3.47Å; V126-F167 HydrophobicContact CB-CB 4.44Å; V126-F167 HydrophobicContact CG1-CB 4.33Å; V126-F167 HydrophobicContact CG2-CB 3.84Å; F167-P169 HydrophobicContact CD2-CG 4.03Å; F167-P169 HydrophobicContact CE2-CG 3.87Å; F167-F179 AromaticContact CE2-CZ 3.89Å; F167-F179 HydrophobicContact CE2-CZ 3.89Å; F167-F179 AromaticContact CZ-CZ 3.96Å; F167-F179 HydrophobicContact CZ-CZ 3.96Å
168W98Very high95Very high58 Ų5863.2 Ų63.222%0.2230%0.302CS..EExtended strand (participates in β ladder)trans-113.399.8178.9-70.3-101.7000109.3D62 S64 S123 K124 R125 E127 H166 D170D62-W168 PolarHBondContact OD2-NE1 2.85Å; S64-W168 VanDerWaalsContact CB-CD1 3.45Å; S123-W168 CarbonylContact C-O 3.6Å; S123-W168 WeakPolarHBondContact CA-O 3.1Å; S123-W168 VanDerWaalsContact CB-O 3.29Å; S123-W168 WeakPolarHBondContact CB-O 3.45Å; K124-W168 HydrophobicContact CB-CB 4.44Å; K124-W168 PolarHBondContact N-O 2.88Å; R125-W168 HydrophobicContact CB-CD2 4.48Å; R125-W168 HydrophobicContact CB-CE3 3.84Å; R125-W168 HydrophobicContact CB-CZ3 4.43Å; R125-W168 HydrophobicContact CG-CE3 4.13Å; R125-W168 HydrophobicContact CG-CZ3 4.22Å; R125-W168 PolarHBondContact O-N 3.44Å; E127-W168 HydrophobicContact CG-CZ3 4.1Å; H166-W168 HydrophobicContact CB-CH2 4.3Å; H166-W168 HydrophobicContact CB-CZ3 4.25Å; H166-W168 AromaticContact CD2-CH2 3.72Å; H166-W168 AromaticContact CD2-CZ2 3.96Å; H166-W168 AromaticContact CD2-CZ3 3.95Å; H166-W168 AromaticContact CE1-CH2 3.37Å; H166-W168 WeakPolarHBondContact CE1-CH2 3.16Å; H166-W168 AromaticContact CE1-CZ2 3.3Å; H166-W168 WeakPolarHBondContact CE1-CZ2 3.44Å; H166-W168 AromaticContact CG-CH2 3.52Å; H166-W168 AromaticContact CG-CZ3 3.82Å; H166-W168 AromaticContact ND1-CH2 3.3Å; H166-W168 VanDerWaalsContact ND1-CH2 3.3Å; H166-W168 WeakPolarHBondContact ND1-CH2 3.37Å; H166-W168 AromaticContact ND1-CZ2 3.77Å; H166-W168 AromaticContact NE2-CE2 3.91Å; H166-W168 AromaticContact NE2-CH2 3.61Å; H166-W168 AromaticContact NE2-CZ2 3.41Å; H166-W168 WeakPolarHBondContact NE2-CZ2 3.32Å; W168-D170 PolarHBondContact O-N 3.17Å
169P97.3Very high95.3Very high15 Ų1554.9 Ų54.910%0.09727%0.266CS..EExtended strand (participates in β ladder)trans-53.7136.4178.5-25.133.3000112.1P32 F167 E171 F174 F179P32-P169 HydrophobicContact CB-CB 3.74Å; P32-P169 HydrophobicContact CB-CG 3.65Å; P32-P169 HydrophobicContact CG-CB 4.31Å; P32-P169 HydrophobicContact CG-CG 4.16Å; F167-P169 HydrophobicContact CD2-CG 4.03Å; F167-P169 HydrophobicContact CE2-CG 3.87Å; P169-E171 PolarHBondContact O-N 3.39Å; P169-F174 HydrophobicContact CB-CD2 4.37Å; P169-F174 HydrophobicContact CB-CE2 3.98Å; P169-F179 HydrophobicContact CG-CE2 3.7Å; P169-F179 HydrophobicContact CG-CZ 3.76Å
170D96.7Very high95.4Very high13 Ų1343.5 Ų43.57%0.0722%0.224CC..  trans-80.7110.9174.2-175.5-12.3000109.8L122 K124 W168 T172 F173 F174L122-D170 PolarHBondContact O-N 2.85Å; K124-D170 HydrophobicContact CG-CB 3.79Å; W168-D170 PolarHBondContact O-N 3.17Å; D170-T172 PolarHBondContact O-N 3.08Å; D170-T172 WeakPolarHBondContact OD1-CB 3.4Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.38Å; D170-T172 PolarHBondContact OD1-N 3.36Å; D170-T172 PolarHBondContact OD1-OG1 2.91Å; D170-T172 PolarHBondContact OD2-OG1 3.03Å; D170-F173 HydrophobicContact CB-CD2 3.78Å; D170-F173 HydrophobicContact CB-CE2 3.93Å; D170-F173 PolarHBondContact O-N 3.14Å; D170-F173 VanDerWaalsContact O-N 3.11Å; D170-F174 VanDerWaalsContact O-CD2 3.3Å; D170-F174 WeakPolarHBondContact O-CD2 3.31Å
171E94.8Very high95.4Very high109 Ų10941.9 Ų41.951%0.50922%0.217SC..G310 helixtrans-54.9-19.8-178.567.8-159.4154.100114.4K124 P169 F173 F174 P177K124-E171 IonicContact NZ-OE1 2.68Å; K124-E171 PolarHBondContact NZ-OE1 3.22Å; P169-E171 PolarHBondContact O-N 3.39Å; E171-F173 PolarHBondContact O-N 2.96Å; E171-F174 PolarHBondContact O-N 3.07Å; E171-P177 HydrophobicContact CB-CB 3.69Å; E171-P177 HydrophobicContact CB-CG 4.24Å
172T94.4Very high95.2Very high106 Ų10644.1 Ų44.165%0.6523%0.234SC*.G310 helixtrans-69.8-18178.360.70000114.1D170D170-T172 PolarHBondContact O-N 3.08Å; D170-T172 WeakPolarHBondContact OD1-CB 3.4Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.38Å; D170-T172 PolarHBondContact OD1-N 3.36Å; D170-T172 PolarHBondContact OD1-OG1 2.91Å; D170-T172 PolarHBondContact OD2-OG1 3.03Å
173F93.3Very high94.8Very high35 Ų3550.2 Ų50.215%0.15426%0.257CS..G310 helixtrans-100-3.4-179.5-59.4-66.7000114.4R20 P23 L122 D170 E171R20-F173 HydrophobicContact CB-CE1 4.4Å; R20-F173 HydrophobicContact CB-CZ 4.2Å; R20-F173 HydrophobicContact CG-CZ 4.26Å; R20-F173 VanDerWaalsContact O-CE1 3.3Å; R20-F173 WeakPolarHBondContact O-CE1 3.28Å; P23-F173 HydrophobicContact CG-CD1 4.15Å; L122-F173 HydrophobicContact CB-CD2 4.26Å; L122-F173 HydrophobicContact CD2-CB 4.46Å; L122-F173 HydrophobicContact CD2-CD1 4.06Å; L122-F173 HydrophobicContact CD2-CD2 3.82Å; L122-F173 HydrophobicContact CD2-CE1 4.23Å; L122-F173 HydrophobicContact CD2-CE2 4.03Å; L122-F173 HydrophobicContact CD2-CG 3.85Å; L122-F173 HydrophobicContact CD2-CZ 4.22Å; D170-F173 HydrophobicContact CB-CD2 3.78Å; D170-F173 HydrophobicContact CB-CE2 3.93Å; D170-F173 PolarHBondContact O-N 3.14Å; D170-F173 VanDerWaalsContact O-N 3.11Å; E171-F173 PolarHBondContact O-N 2.96Å
174F94.2Very high94.6Very high13 Ų1350 Ų506%0.05726%0.255CS..  trans-124.9136.1-173.2-60.1-76.7000112.4T29 P32 L35 P169 D170 E171 S176T29-F174 VanDerWaalsContact O-CA 3.26Å; T29-F174 WeakPolarHBondContact O-CA 3.5Å; P32-F174 HydrophobicContact CB-CD1 4.41Å; P32-F174 HydrophobicContact CB-CD2 4.4Å; P32-F174 HydrophobicContact CB-CE1 4.21Å; P32-F174 HydrophobicContact CB-CE2 4.21Å; P32-F174 HydrophobicContact CB-CZ 4.12Å; L35-F174 HydrophobicContact CD1-CE2 4.11Å; L35-F174 HydrophobicContact CD1-CZ 3.56Å; L35-F174 HydrophobicContact CG-CZ 3.93Å; P169-F174 HydrophobicContact CB-CD2 4.37Å; P169-F174 HydrophobicContact CB-CE2 3.98Å; D170-F174 VanDerWaalsContact O-CD2 3.3Å; D170-F174 WeakPolarHBondContact O-CD2 3.31Å; E171-F174 PolarHBondContact O-N 3.07Å; F174-S176 PolarHBondContact O-N 3.32Å
175D91.2Very high94.3Very high138 Ų13850.7 Ų50.774%0.73826%0.259SS*.SBendtrans-60-36.7174.2-62.4-33.7000111.4T29T29-D175 PolarHBondContact O-N 2.79Å
176S91.6Very high93.8Very high41 Ų4154.8 Ų54.829%0.28728%0.278SS..  trans-133.1116.3171.3177.60000110.5T30 P32 F174 R178T30-S176 PolarHBondContact O-N 2.9Å; T30-S176 VanDerWaalsContact O-N 3.09Å; P32-S176 VanDerWaalsContact CD-O 3.31Å; P32-S176 WeakPolarHBondContact CD-O 3.03Å; F174-S176 PolarHBondContact O-N 3.32Å; S176-R178 PolarHBondContact O-N 2.77Å; S176-R178 VanDerWaalsContact O-N 3.14Å
177P89.4Confident93.3Very high52 Ų5254.1 Ų54.134%0.33828%0.276SS..  trans-74.4-4.1-176.730.8-36.6000113.2E171E171-P177 HydrophobicContact CB-CB 3.69Å; E171-P177 HydrophobicContact CB-CG 4.24Å
178R93.5Very high93.1Very high160 Ų16054.1 Ų54.160%0.60428%0.276SS*.SBendtrans-87.1136.3-177.6-61.3-174.9-179.3176-0.3110.6R31 Q63 S176R31-R178 PolarHBondContact NE-O 2.86Å; R31-R178 PolarHBondContact NH2-O 3.03Å; Q63-R178 HydrophobicContact CG-CG 4.41Å; S176-R178 PolarHBondContact O-N 2.77Å; S176-R178 VanDerWaalsContact O-N 3.14Å
179F95.6Very high92.7Very high6 Ų653.4 Ų53.43%0.02627%0.274CS..  trans-65.3140.2168.9-76.5-85.6000111.8R31 P32 L59 Q63 L65 F167 P169 V181 L184R31-F179 PolarHBondContact NH2-O 3.39Å; P32-F179 HydrophobicContact CB-CD1 4.43Å; P32-F179 HydrophobicContact CB-CE1 3.88Å; P32-F179 HydrophobicContact CB-CE2 4.22Å; P32-F179 HydrophobicContact CB-CZ 3.76Å; P32-F179 HydrophobicContact CG-CD1 4Å; P32-F179 HydrophobicContact CG-CD2 3.97Å; P32-F179 HydrophobicContact CG-CE1 3.92Å; P32-F179 HydrophobicContact CG-CE2 3.89Å; P32-F179 HydrophobicContact CG-CG 4.04Å; P32-F179 HydrophobicContact CG-CZ 3.86Å; P32-F179 WeakPolarHBondContact O-CE1 3.39Å; L59-F179 HydrophobicContact CD1-CB 4.02Å; L59-F179 HydrophobicContact CD1-CD2 3.65Å; L59-F179 HydrophobicContact CD1-CE2 4.44Å; L59-F179 HydrophobicContact CD1-CG 4.07Å; L59-F179 HydrophobicContact CD2-CB 4.23Å; Q63-F179 VanDerWaalsContact O-CE2 3.28Å; Q63-F179 WeakPolarHBondContact O-CE2 3.48Å; Q63-F179 VanDerWaalsContact OE1-N 3.08Å; L65-F179 HydrophobicContact CB-CE1 4.49Å; L65-F179 HydrophobicContact CB-CE2 3.97Å; L65-F179 HydrophobicContact CB-CZ 3.83Å; L65-F179 HydrophobicContact CD2-CE1 4.1Å; L65-F179 HydrophobicContact CD2-CZ 4.21Å; F167-F179 AromaticContact CE2-CZ 3.89Å; F167-F179 HydrophobicContact CE2-CZ 3.89Å; F167-F179 AromaticContact CZ-CZ 3.96Å; F167-F179 HydrophobicContact CZ-CZ 3.96Å; P169-F179 HydrophobicContact CG-CE2 3.7Å; P169-F179 HydrophobicContact CG-CZ 3.76Å; F179-V181 PolarHBondContact O-N 2.82Å; F179-L184 HydrophobicContact CB-CD1 3.9Å; F179-L184 HydrophobicContact CD1-CD1 3.91Å; F179-L184 HydrophobicContact CD1-CD2 4.47Å; F179-L184 HydrophobicContact CD1-CG 4.48Å; F179-L184 HydrophobicContact CG-CD1 4.13Å
180S93.9Very high92.1Very high8 Ų852.9 Ų52.96%0.05627%0.271CS..  trans-80.2104.9166.3175.60000109.2N33 S182 R183 L184N33-S180 PolarHBondContact ND2-N 3.45Å; N33-S180 PolarHBondContact ND2-O 3.49Å; N33-S180 WeakPolarHBondContact OD1-CB 3.42Å; N33-S180 PolarHBondContact OD1-N 2.92Å; S180-S182 VanDerWaalsContact C-N 3.33Å; S180-S182 PolarHBondContact O-N 3.33Å; S180-S182 PolarHBondContact OG-OG 2.76Å; S180-R183 PolarHBondContact O-N 2.99Å; S180-R183 WeakPolarHBondContact OG-CG 3.17Å; S180-R183 PolarHBondContact OG-N 3.42Å; S180-L184 PolarHBondContact O-N 3.2Å
181V94.4Very high91.8Very high38 Ų3852.4 Ų52.423%0.2327%0.268CS..Hα-helixtrans-57-46.2177.7-179.80000110.8L59 F179 R183 L184 T185 F202 D204L59-V181 HydrophobicContact CD2-CG2 3.88Å; F179-V181 PolarHBondContact O-N 2.82Å; V181-R183 VanDerWaalsContact C-N 3.34Å; V181-R183 PolarHBondContact O-N 2.94Å; V181-L184 PolarHBondContact O-N 2.92Å; V181-T185 WeakPolarHBondContact O-CB 3.46Å; V181-T185 PolarHBondContact O-N 3.22Å; V181-T185 PolarHBondContact O-OG1 3.21Å; V181-T185 VanDerWaalsContact O-OG1 3.13Å; V181-F202 HydrophobicContact CG1-CE1 3.87Å; V181-F202 HydrophobicContact CG1-CZ 4.32Å; V181-D204 WeakPolarHBondContact CG1-OD2 3.3Å; V181-D204 WeakPolarHBondContact CG2-OD2 3.33Å
182S91.7Very high91.6Very high89 Ų8947.2 Ų47.262%0.62224%0.244SC*.Hα-helixtrans-59.5-41.8179.155.70000113.1S180 H186S180-S182 VanDerWaalsContact C-N 3.33Å; S180-S182 PolarHBondContact O-N 3.33Å; S180-S182 PolarHBondContact OG-OG 2.76Å; S182-H186 WeakPolarHBondContact O-CB 3.4Å; S182-H186 PolarHBondContact O-N 3.12Å
183R89.9Confident91.2Very high127 Ų12742.3 Ų42.348%0.47921%0.214SC..Hα-helixtrans-67.9-40.8176-69.8-178.7-178.9-174.30.1111.9S180 V181 V187S180-R183 PolarHBondContact O-N 2.99Å; S180-R183 WeakPolarHBondContact OG-CG 3.17Å; S180-R183 PolarHBondContact OG-N 3.42Å; V181-R183 VanDerWaalsContact C-N 3.34Å; V181-R183 PolarHBondContact O-N 2.94Å; R183-V187 WeakPolarHBondContact O-CG2 3.27Å; R183-V187 PolarHBondContact O-N 2.71Å; R183-V187 VanDerWaalsContact O-N 3.08Å
184L92.7Very high90.8Very high1 Ų141 Ų411%0.00521%0.209CC..Hα-helixtrans-63.4-50.9175.6-73.8177.3000111.3I40 L65 F179 S180 V181 H186 V187 L188 F202I40-L184 HydrophobicContact CD1-CD2 4.38Å; L65-L184 HydrophobicContact CD1-CD1 4.11Å; F179-L184 HydrophobicContact CB-CD1 3.9Å; F179-L184 HydrophobicContact CD1-CD1 3.91Å; F179-L184 HydrophobicContact CD1-CD2 4.47Å; F179-L184 HydrophobicContact CD1-CG 4.48Å; F179-L184 HydrophobicContact CG-CD1 4.13Å; S180-L184 PolarHBondContact O-N 3.2Å; V181-L184 PolarHBondContact O-N 2.92Å; L184-H186 VanDerWaalsContact C-N 3.28Å; L184-H186 PolarHBondContact O-N 2.72Å; L184-V187 PolarHBondContact O-N 2.9Å; L184-L188 WeakPolarHBondContact O-CB 3.46Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.32Å; L184-F202 HydrophobicContact CB-CZ 4.23Å; L184-F202 HydrophobicContact CD1-CE2 4.31Å; L184-F202 HydrophobicContact CD1-CZ 4.19Å
185T92.9Very high90.4Very high27 Ų2740.7 Ų40.717%0.16621%0.208CC..Hα-helixtrans-53.5-46.6176.6-67.80000111.4V181 L188 K189 Q211 W213V181-T185 WeakPolarHBondContact O-CB 3.46Å; V181-T185 PolarHBondContact O-N 3.22Å; V181-T185 PolarHBondContact O-OG1 3.21Å; V181-T185 VanDerWaalsContact O-OG1 3.13Å; T185-L188 PolarHBondContact O-N 3.15Å; T185-K189 VanDerWaalsContact O-CB 3.3Å; T185-K189 WeakPolarHBondContact O-CB 3.28Å; T185-K189 PolarHBondContact O-N 2.65Å; T185-Q211 PolarHBondContact OG1-OE1 3.34Å; T185-W213 HydrophobicContact CG2-CH2 3.89Å; T185-W213 HydrophobicContact CG2-CZ2 3.77Å
186H88.3Confident90.1Very high90 Ų9038.1 Ų38.142%0.41720%0.198SC..Hα-helixtrans-61.1-49178.9178.575.3000111.9S182 L184 K189 A190 E265S182-H186 WeakPolarHBondContact O-CB 3.4Å; S182-H186 PolarHBondContact O-N 3.12Å; L184-H186 VanDerWaalsContact C-N 3.28Å; L184-H186 PolarHBondContact O-N 2.72Å; H186-K189 PolarHBondContact O-N 3.09Å; H186-A190 WeakPolarHBondContact O-CB 3.32Å; H186-A190 PolarHBondContact O-N 2.92Å; H186-E265 IonicContact CE1-OE1 3.03Å; H186-E265 PolarHBondContact CE1-OE1 2.9Å; H186-E265 IonicContact NE2-OE1 3.4Å
187V87.8Confident90Very high11 Ų1137.6 Ų37.67%0.06720%0.199CC..Hα-helixtrans-62.9-45.8178.8171.50000111.4Q37 R183 L184 K189 A190 K191Q37-V187 HydrophobicContact CG-CG1 4.35Å; R183-V187 WeakPolarHBondContact O-CG2 3.27Å; R183-V187 PolarHBondContact O-N 2.71Å; R183-V187 VanDerWaalsContact O-N 3.08Å; L184-V187 PolarHBondContact O-N 2.9Å; V187-K189 PolarHBondContact O-N 3.09Å; V187-A190 WeakPolarHBondContact O-CB 3.48Å; V187-A190 PolarHBondContact O-N 3.41Å; V187-K191 HydrophobicContact CG1-CG 4.28Å; V187-K191 VanDerWaalsContact O-CG 3.29Å; V187-K191 WeakPolarHBondContact O-CG 3.25Å; V187-K191 PolarHBondContact O-N 3.38Å
188L93Very high90.1Very high0 Ų035.6 Ų35.60%019%0.186CC..Hα-helixtrans-62.8-43-179.9-69.8170.8000111.9I40 V57 L184 T185 K191 A192 I200 F202 W213I40-L188 HydrophobicContact CD1-CD2 3.87Å; I40-L188 HydrophobicContact CD1-CG 4.49Å; I40-L188 HydrophobicContact CG1-CD2 4.25Å; I40-L188 HydrophobicContact CG2-CD2 3.89Å; V57-L188 HydrophobicContact CB-CD1 3.98Å; V57-L188 HydrophobicContact CB-CD2 4.35Å; V57-L188 HydrophobicContact CG1-CD1 4.14Å; V57-L188 HydrophobicContact CG2-CD1 4.2Å; V57-L188 HydrophobicContact CG2-CD2 3.65Å; L184-L188 WeakPolarHBondContact O-CB 3.46Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.32Å; T185-L188 PolarHBondContact O-N 3.15Å; L188-K191 PolarHBondContact O-N 3.39Å; L188-A192 PolarHBondContact O-N 3.36Å; L188-I200 HydrophobicContact CB-CG2 4.01Å; L188-I200 HydrophobicContact CD2-CG2 3.79Å; L188-I200 HydrophobicContact CG-CG2 4.41Å; L188-F202 HydrophobicContact CD1-CB 3.73Å; L188-F202 HydrophobicContact CD1-CD1 4.39Å; L188-F202 HydrophobicContact CD1-CD2 3.66Å; L188-F202 HydrophobicContact CD1-CE2 4.4Å; L188-F202 HydrophobicContact CD1-CG 3.67Å; L188-W213 HydrophobicContact CB-CE3 4.21Å; L188-W213 HydrophobicContact CB-CH2 4.42Å; L188-W213 HydrophobicContact CB-CZ3 3.68Å
189K89.7Confident90.2Very high43 Ų4331.1 Ų31.119%0.18717%0.172CC..Hα-helixtrans-59.2-47.9173.5-170.7177.3-172.2-1760110.8T185 H186 V187 K191 A192 V193 W213 Y215 Y222 E225T185-K189 VanDerWaalsContact O-CB 3.3Å; T185-K189 WeakPolarHBondContact O-CB 3.28Å; T185-K189 PolarHBondContact O-N 2.65Å; H186-K189 PolarHBondContact O-N 3.09Å; V187-K189 PolarHBondContact O-N 3.09Å; K189-K191 PolarHBondContact O-N 3.07Å; K189-A192 WeakPolarHBondContact O-CB 3.45Å; K189-A192 PolarHBondContact O-N 2.95Å; K189-V193 VanDerWaalsContact O-CG2 3.27Å; K189-V193 WeakPolarHBondContact O-CG2 3.36Å; K189-V193 PolarHBondContact O-N 2.73Å; K189-W213 HydrophobicContact CB-CD2 4.18Å; K189-W213 HydrophobicContact CB-CG 4.46Å; K189-W213 HydrophobicContact CB-CZ2 4.37Å; K189-W213 HydrophobicContact CG-CD2 4.42Å; K189-W213 HydrophobicContact CG-CG 4.24Å; K189-Y215 WeakPolarHBondContact CE-OH 3.43Å; K189-Y215 HydrophobicContact CG-CE2 4.37Å; K189-Y222 HydrophobicContact CD-CE2 4.04Å; K189-Y222 HydrophobicContact CG-CE2 4.23Å; K189-E225 IonicContact NZ-OE1 3.55Å; K189-E225 PolarHBondContact NZ-OE1 2.99Å; K189-E225 IonicContact NZ-OE2 3.96Å
190A86.1Confident90.2Very high3 Ų330.9 Ų30.93%0.02517%0.171CC..Hα-helixtrans-58.9-44177.200000112.7H186 V187 A192 V193 L194 Y267H186-A190 WeakPolarHBondContact O-CB 3.32Å; H186-A190 PolarHBondContact O-N 2.92Å; V187-A190 WeakPolarHBondContact O-CB 3.48Å; V187-A190 PolarHBondContact O-N 3.41Å; A190-A192 VanDerWaalsContact C-N 3.33Å; A190-A192 PolarHBondContact O-N 2.99Å; A190-V193 WeakPolarHBondContact O-CB 3.41Å; A190-V193 PolarHBondContact O-N 2.95Å; A190-L194 WeakPolarHBondContact O-CB 3.46Å; A190-L194 WeakPolarHBondContact O-CD1 3.28Å; A190-L194 WeakPolarHBondContact O-CG 3.37Å; A190-L194 PolarHBondContact O-N 2.95Å; A190-Y267 HydrophobicContact CB-CE1 4.05Å; A190-Y267 WeakPolarHBondContact CB-OH 3.34Å
191K89.1Confident90.4Very high4 Ų430.9 Ų30.92%0.01717%0.171CC..Hα-helixtrans-62.2-40.1176.7-64.1-64.5-176.7169.60111.9D41 V44 V187 L188 K189 V193 L194 C195 I200 L270D41-K191 WeakPolarHBondContact OD1-CE 3.35Å; D41-K191 IonicContact OD1-NZ 3.82Å; D41-K191 PolarHBondContact OD1-NZ 3.45Å; D41-K191 IonicContact OD2-NZ 2.9Å; V44-K191 HydrophobicContact CG1-CB 4.49Å; V44-K191 HydrophobicContact CG1-CD 4.42Å; V44-K191 HydrophobicContact CG2-CB 4.21Å; V44-K191 HydrophobicContact CG2-CG 4.37Å; V187-K191 HydrophobicContact CG1-CG 4.28Å; V187-K191 VanDerWaalsContact O-CG 3.29Å; V187-K191 WeakPolarHBondContact O-CG 3.25Å; V187-K191 PolarHBondContact O-N 3.38Å; L188-K191 PolarHBondContact O-N 3.39Å; K189-K191 PolarHBondContact O-N 3.07Å; K191-V193 VanDerWaalsContact C-N 3.29Å; K191-V193 PolarHBondContact O-N 3.2Å; K191-L194 PolarHBondContact O-N 3.44Å; K191-C195 WeakPolarHBondContact O-CB 3.29Å; K191-C195 PolarHBondContact O-N 2.91Å; K191-I200 HydrophobicContact CB-CD1 3.64Å; K191-L270 HydrophobicContact CD-CB 4.01Å; K191-L270 HydrophobicContact CD-CD1 4.39Å; K191-L270 PolarHBondContact NZ-O 3.38Å
192A90.5Very high90.6Very high0 Ų029.1 Ų29.10%016%0.16CC..Hα-helixtrans-64.5-35.317700000112.1L188 K189 A190 I200 W213 Y215L188-A192 PolarHBondContact O-N 3.36Å; K189-A192 WeakPolarHBondContact O-CB 3.45Å; K189-A192 PolarHBondContact O-N 2.95Å; A190-A192 VanDerWaalsContact C-N 3.33Å; A190-A192 PolarHBondContact O-N 2.99Å; A192-I200 HydrophobicContact CB-CB 4.11Å; A192-I200 HydrophobicContact CB-CD1 3.92Å; A192-I200 HydrophobicContact CB-CG1 3.97Å; A192-W213 HydrophobicContact CB-CB 3.54Å; A192-Y215 HydrophobicContact CB-CD2 4.13Å; A192-Y215 HydrophobicContact CB-CE2 4.47Å
193V87Confident90.9Very high2 Ų229 Ų291%0.01215%0.148CC..Hα-helixtrans-68.8-41.4175.6167.80000111.5K189 A190 K191 C195 Y215 G218 L219 Y222K189-V193 VanDerWaalsContact O-CG2 3.27Å; K189-V193 WeakPolarHBondContact O-CG2 3.36Å; K189-V193 PolarHBondContact O-N 2.73Å; A190-V193 WeakPolarHBondContact O-CB 3.41Å; A190-V193 PolarHBondContact O-N 2.95Å; K191-V193 VanDerWaalsContact C-N 3.29Å; K191-V193 PolarHBondContact O-N 3.2Å; V193-C195 VanDerWaalsContact C-N 3.31Å; V193-Y215 HydrophobicContact CB-CD2 4.31Å; V193-Y215 HydrophobicContact CG2-CD1 4.43Å; V193-Y215 HydrophobicContact CG2-CD2 3.43Å; V193-Y215 VanDerWaalsContact CG2-CD2 3.43Å; V193-Y215 HydrophobicContact CG2-CE1 4.43Å; V193-Y215 HydrophobicContact CG2-CE2 3.42Å; V193-Y215 VanDerWaalsContact CG2-CE2 3.42Å; V193-Y215 HydrophobicContact CG2-CG 3.96Å; V193-G218 CarbonylContact O-C 3.52Å; V193-G218 WeakPolarHBondContact O-CA 3.35Å; V193-L219 HydrophobicContact CG1-CD2 3.92Å; V193-Y222 HydrophobicContact CB-CG 4.18Å; V193-Y222 VanDerWaalsContact CG1-CB 3.41Å; V193-Y222 HydrophobicContact CG1-CD1 3.84Å; V193-Y222 HydrophobicContact CG1-CG 3.7Å; V193-Y222 HydrophobicContact CG2-CD1 4.26Å; V193-Y222 HydrophobicContact CG2-CD2 3.54Å; V193-Y222 HydrophobicContact CG2-CE2 4.28Å; V193-Y222 HydrophobicContact CG2-CG 3.53Å
194L85.2Confident91.2Very high9 Ų923 Ų235%0.04713%0.126CC..Hα-helixtrans-81.2-11.6-176.7-63.8163.9000113.7A190 K191 P196 L219 Y267 L270A190-L194 WeakPolarHBondContact O-CB 3.46Å; A190-L194 WeakPolarHBondContact O-CD1 3.28Å; A190-L194 WeakPolarHBondContact O-CG 3.37Å; A190-L194 PolarHBondContact O-N 2.95Å; K191-L194 PolarHBondContact O-N 3.44Å; L194-P196 WeakPolarHBondContact O-CD 3.42Å; L194-L219 HydrophobicContact CD2-CD2 3.66Å; L194-Y267 HydrophobicContact CD1-CD1 3.42Å; L194-Y267 VanDerWaalsContact CD1-CD1 3.42Å; L194-Y267 HydrophobicContact CD1-CD2 3.74Å; L194-Y267 HydrophobicContact CD1-CE1 3.71Å; L194-Y267 HydrophobicContact CD1-CE2 4.01Å; L194-Y267 HydrophobicContact CD1-CG 3.44Å; L194-Y267 VanDerWaalsContact CD1-CG 3.44Å; L194-Y267 HydrophobicContact CD2-CD2 3.78Å; L194-Y267 HydrophobicContact CD2-CE2 4.32Å; L194-Y267 HydrophobicContact CD2-CG 4.08Å; L194-Y267 HydrophobicContact CG-CD2 4.3Å; L194-Y267 HydrophobicContact CG-CG 4.39Å; L194-L270 HydrophobicContact CB-CD2 3.3Å; L194-L270 HydrophobicContact CD1-CD2 3.88Å; L194-L270 HydrophobicContact CG-CD2 4.16Å
195C85.9Confident91.4Very high6 Ų626.2 Ų26.24%0.04114%0.141CC..SBendtrans-120.179.3176.5-64.50000110.4V44 K191 V193 G197 V198V44-C195 WeakPolarHBondContact CG1-SG 3.44Å; K191-C195 WeakPolarHBondContact O-CB 3.29Å; K191-C195 PolarHBondContact O-N 2.91Å; V193-C195 VanDerWaalsContact C-N 3.31Å; C195-G197 PolarHBondContact O-N 2.94Å; C195-V198 HydrophobicContact CB-CB 4.02Å; C195-V198 HydrophobicContact CB-CG2 3.78Å; C195-V198 WeakPolarHBondContact O-CB 3.07Å; C195-V198 PolarHBondContact O-N 2.81Å; C195-V198 VanDerWaalsContact O-N 3.1Å
196P84.3Confident91.4Very high83 Ų8328.2 Ų28.254%0.53915%0.15SC..THydrogen-bonded Turntrans-53.8130.7-176-2734.9000113L194 V198 Y215L194-P196 WeakPolarHBondContact O-CD 3.42Å; P196-V198 VanDerWaalsContact C-N 3.31Å; P196-V198 PolarHBondContact O-N 2.81Å; P196-Y215 CarbonylContact C-O 3.59Å; P196-Y215 VanDerWaalsContact CA-O 3.28Å; P196-Y215 WeakPolarHBondContact CA-O 3.46Å
197G88.6Confident91.6Very high30 Ų3028.5 Ų28.531%0.30916%0.155SC..THydrogen-bonded Turntrans80.6-1.3179.300000116.2C195 Y215C195-G197 PolarHBondContact O-N 2.94Å; G197-Y215 PolarHBondContact N-O 2.88Å
198V92Very high91.9Very high10 Ų1035.1 Ų35.16%0.06119%0.189CC..  trans-84.8126.8172.5-179.70000109.3A47 K53 C195 P196 I200A47-V198 HydrophobicContact CB-CG1 4.09Å; A47-V198 HydrophobicContact CB-CG2 3.76Å; K53-V198 WeakPolarHBondContact O-CA 3.36Å; C195-V198 HydrophobicContact CB-CB 4.02Å; C195-V198 HydrophobicContact CB-CG2 3.78Å; C195-V198 WeakPolarHBondContact O-CB 3.07Å; C195-V198 PolarHBondContact O-N 2.81Å; C195-V198 VanDerWaalsContact O-N 3.1Å; P196-V198 VanDerWaalsContact C-N 3.31Å; P196-V198 PolarHBondContact O-N 2.81Å; V198-I200 HydrophobicContact CG1-CG1 4.27Å
199E95.8Very high92Very high67 Ų6738.2 Ų38.231%0.31321%0.208SC..EExtended strand (participates in β ladder)trans-84.7118.6174.4-174.3177.1-170.800109.7K53 R54 V55 T201 W213K53-E199 PolarHBondContact O-N 2.77Å; R54-E199 CarbonylContact C-O 3.46Å; R54-E199 VanDerWaalsContact CA-O 3.28Å; R54-E199 WeakPolarHBondContact CA-O 3.39Å; V55-E199 PolarHBondContact N-O 3.34Å; E199-T201 HydrophobicContact CG-CG2 4.21Å; E199-W213 WeakPolarHBondContact CA-O 3.45Å
200I96.3Very high92.3Very high0 Ų041.2 Ų41.20%022%0.223CC..EExtended strand (participates in β ladder)trans-110.1123.6172.4-56.9-169.3000108.8V44 V55 L188 K191 A192 V198 R212 W213V44-I200 HydrophobicContact CG2-CD1 4.45Å; V55-I200 HydrophobicContact CB-CG1 4.42Å; V55-I200 VanDerWaalsContact O-CA 3.3Å; V55-I200 WeakPolarHBondContact O-CA 3.42Å; L188-I200 HydrophobicContact CB-CG2 4.01Å; L188-I200 HydrophobicContact CD2-CG2 3.79Å; L188-I200 HydrophobicContact CG-CG2 4.41Å; K191-I200 HydrophobicContact CB-CD1 3.64Å; A192-I200 HydrophobicContact CB-CB 4.11Å; A192-I200 HydrophobicContact CB-CD1 3.92Å; A192-I200 HydrophobicContact CB-CG1 3.97Å; V198-I200 HydrophobicContact CG1-CG1 4.27Å; I200-R212 WeakPolarHBondContact O-CA 3.36Å; I200-W213 HydrophobicContact CG2-CE3 4.36Å; I200-W213 PolarHBondContact N-O 2.68Å; I200-W213 PolarHBondContact O-N 3.43Å
201T97.4Very high92.7Very high8 Ų844.5 Ų44.55%0.04924%0.238CC..EExtended strand (participates in β ladder)trans-110.8141.6174.880.40000110.3V55 D56 V57 E199 Q211 R212V55-T201 PolarHBondContact O-N 3.43Å; D56-T201 WeakPolarHBondContact CA-OG1 3.39Å; D56-T201 WeakPolarHBondContact CB-OG1 3.41Å; D56-T201 WeakPolarHBondContact OD1-CG2 3.49Å; D56-T201 PolarHBondContact OD1-OG1 3.04Å; V57-T201 PolarHBondContact N-O 3.15Å; E199-T201 HydrophobicContact CG-CG2 4.21Å; T201-Q211 CarbonylContact C-O 3.41Å; T201-Q211 WeakPolarHBondContact CA-O 3.46Å; T201-R212 HydrophobicContact CG2-CG 3.94Å
202F98Very high93Very high1 Ų151.7 Ų51.70%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-127.3113.8173.5-177.9-133000109.8V57 L59 V181 L184 L188 D204 E210 Q211 W213V57-F202 HydrophobicContact CB-CD2 4.11Å; V57-F202 HydrophobicContact CG1-CD2 3.98Å; V57-F202 HydrophobicContact CG1-CE2 4.25Å; V57-F202 CarbonylContact O-C 3.57Å; V57-F202 WeakPolarHBondContact O-CA 3.23Å; V57-F202 WeakPolarHBondContact O-CD2 2.9Å; L59-F202 HydrophobicContact CB-CE2 3.93Å; L59-F202 HydrophobicContact CB-CZ 4.18Å; L59-F202 HydrophobicContact CD2-CZ 4.4Å; V181-F202 HydrophobicContact CG1-CE1 3.87Å; V181-F202 HydrophobicContact CG1-CZ 4.32Å; L184-F202 HydrophobicContact CB-CZ 4.23Å; L184-F202 HydrophobicContact CD1-CE2 4.31Å; L184-F202 HydrophobicContact CD1-CZ 4.19Å; L188-F202 HydrophobicContact CD1-CB 3.73Å; L188-F202 HydrophobicContact CD1-CD1 4.39Å; L188-F202 HydrophobicContact CD1-CD2 3.66Å; L188-F202 HydrophobicContact CD1-CE2 4.4Å; L188-F202 HydrophobicContact CD1-CG 3.67Å; F202-D204 HydrophobicContact CE1-CB 4.25Å; F202-D204 HydrophobicContact CZ-CB 4.19Å; F202-E210 WeakPolarHBondContact O-CA 3.45Å; F202-Q211 PolarHBondContact N-O 2.95Å; F202-Q211 PolarHBondContact O-N 2.83Å; F202-W213 HydrophobicContact CB-CH2 3.98Å; F202-W213 HydrophobicContact CB-CZ3 3.73Å
203K98Very high93.2Very high86 Ų8652.9 Ų52.937%0.37427%0.27SS..EExtended strand (participates in β ladder)trans-105.7115175.5-172-171.6-179.5-155.40108.8V57 I58 L59 E205V57-K203 PolarHBondContact O-N 2.98Å; I58-K203 CarbonylContact C-O 3.58Å; I58-K203 WeakPolarHBondContact CA-O 3.09Å; I58-K203 HydrophobicContact CG1-CB 4.34Å; I58-K203 HydrophobicContact CG2-CB 4.39Å; I58-K203 HydrophobicContact CG2-CD 4.26Å; L59-K203 PolarHBondContact N-O 3.29Å; K203-E205 HydrophobicContact CD-CG 4.31Å; K203-E205 WeakPolarHBondContact CE-OE1 3.11Å; K203-E205 HydrophobicContact CG-CG 4.36Å; K203-E205 IonicContact NZ-OE1 3.88Å; K203-E205 PolarHBondContact NZ-OE1 3.27Å
204D96.8Very high93.4Very high1 Ų155.8 Ų55.81%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-103.9103.9174.6177.5-6.3000108.7V181 F202 I206 N207 N208 T209V181-D204 WeakPolarHBondContact CG1-OD2 3.3Å; V181-D204 WeakPolarHBondContact CG2-OD2 3.33Å; F202-D204 HydrophobicContact CE1-CB 4.25Å; F202-D204 HydrophobicContact CZ-CB 4.19Å; D204-I206 VanDerWaalsContact C-N 3.29Å; D204-I206 WeakPolarHBondContact OD1-CA 3.41Å; D204-I206 VanDerWaalsContact OD1-CB 3.26Å; D204-I206 WeakPolarHBondContact OD1-CB 3.16Å; D204-I206 PolarHBondContact OD1-N 3.28Å; D204-N207 PolarHBondContact OD1-N 2.9Å; D204-N207 PolarHBondContact OD2-ND2 3.5Å; D204-N208 CarbonylContact O-C 3.55Å; D204-N208 VanDerWaalsContact O-CA 3.23Å; D204-N208 WeakPolarHBondContact O-CA 3.31Å; D204-N208 PolarHBondContact O-N 3.13Å; D204-T209 PolarHBondContact N-O 3.34Å; D204-T209 PolarHBondContact O-N 3.2Å
205E96.9Very high93.5Very high69 Ų6956.5 Ų56.532%0.32229%0.291SS..THydrogen-bonded Turntrans-77.5-15.4179.9-57.9-164.9152.500112.9I58 L59 H60 K203I58-E205 HydrophobicContact CG2-CG 4.23Å; L59-E205 WeakPolarHBondContact O-CB 3.41Å; L59-E205 PolarHBondContact O-N 3.2Å; H60-E205 IonicContact ND1-OE2 2.66Å; K203-E205 HydrophobicContact CD-CG 4.31Å; K203-E205 WeakPolarHBondContact CE-OE1 3.11Å; K203-E205 HydrophobicContact CG-CG 4.36Å; K203-E205 IonicContact NZ-OE1 3.88Å; K203-E205 PolarHBondContact NZ-OE1 3.27Å
206I92.4Very high93.4Very high69 Ų6962.3 Ų62.335%0.35432%0.318SS..THydrogen-bonded Turntrans-73.9-45.4176.5-58.9164.6000109.7L59 Q63 D204L59-I206 HydrophobicContact CD1-CD1 4.27Å; L59-I206 HydrophobicContact CD2-CD1 3.8Å; L59-I206 HydrophobicContact CG-CD1 3.81Å; Q63-I206 VanDerWaalsContact NE2-CD1 3.27Å; D204-I206 VanDerWaalsContact C-N 3.29Å; D204-I206 WeakPolarHBondContact OD1-CA 3.41Å; D204-I206 VanDerWaalsContact OD1-CB 3.26Å; D204-I206 WeakPolarHBondContact OD1-CB 3.16Å; D204-I206 PolarHBondContact OD1-N 3.28Å
207N92Very high93.2Very high97 Ų9763.7 Ų63.752%0.51932%0.321SS..THydrogen-bonded Turntrans-97.4-2179.5-62.7-58.8000113.5D204 T209D204-N207 PolarHBondContact OD1-N 2.9Å; D204-N207 PolarHBondContact OD2-ND2 3.5Å; N207-T209 VanDerWaalsContact C-N 3.31Å; N207-T209 HydrophobicContact CB-CG2 4.27Å; N207-T209 PolarHBondContact O-N 3.34Å
208N94.2Very high92.9Very high149 Ų14962.4 Ų62.480%0.79731%0.307SS*.THydrogen-bonded Turntrans53.446.6-176.1-167.343.6000112.4D204D204-N208 CarbonylContact O-C 3.55Å; D204-N208 VanDerWaalsContact O-CA 3.23Å; D204-N208 WeakPolarHBondContact O-CA 3.31Å; D204-N208 PolarHBondContact O-N 3.13Å
209T95.1Very high92.5Very high65 Ų6562.7 Ų62.740%0.39931%0.309SS..EExtended strand (participates in β ladder)trans-118.3146.1178.657.60000111.1D204 N207D204-T209 PolarHBondContact N-O 3.34Å; D204-T209 PolarHBondContact O-N 3.2Å; N207-T209 VanDerWaalsContact C-N 3.31Å; N207-T209 HydrophobicContact CB-CG2 4.27Å; N207-T209 PolarHBondContact O-N 3.34Å
210E96.5Very high92Very high106 Ų10661.4 Ų61.450%0.49530%0.304SS..EExtended strand (participates in β ladder)trans-129.7130.2174-169.9-177.3162.100109.3F202 R212F202-E210 WeakPolarHBondContact O-CA 3.45Å; E210-R212 IonicContact OE1-CZ 2.81Å; E210-R212 IonicContact OE1-NE 3.13Å; E210-R212 PolarHBondContact OE1-NE 3.45Å; E210-R212 IonicContact OE1-NH2 2.79Å; E210-R212 PolarHBondContact OE1-NH2 2.77Å; E210-R212 IonicContact OE2-NH2 3.23Å
211Q95.2Very high91.4Very high72 Ų7264.1 Ų64.134%0.33632%0.318SS..EExtended strand (participates in β ladder)trans-124.6145.1177.9-60-177.9-54.200109.5T185 T201 F202 W213T185-Q211 PolarHBondContact OG1-OE1 3.34Å; T201-Q211 CarbonylContact C-O 3.41Å; T201-Q211 WeakPolarHBondContact CA-O 3.46Å; F202-Q211 PolarHBondContact N-O 2.95Å; F202-Q211 PolarHBondContact O-N 2.83Å; Q211-W213 HydrophobicContact CB-CH2 3.56Å; Q211-W213 HydrophobicContact CB-CZ2 3.53Å; Q211-W213 HydrophobicContact CB-CZ3 4.22Å; Q211-W213 HydrophobicContact CG-CH2 4.37Å; Q211-W213 HydrophobicContact CG-CZ2 4.21Å
212R95.9Very high90.9Very high155 Ų15564.3 Ų64.359%0.58532%0.318SS*.EExtended strand (participates in β ladder)trans-137.1133.6179.1-56.4-171.4-174174.43109.8I200 T201 E210I200-R212 WeakPolarHBondContact O-CA 3.36Å; T201-R212 HydrophobicContact CG2-CG 3.94Å; E210-R212 IonicContact OE1-CZ 2.81Å; E210-R212 IonicContact OE1-NE 3.13Å; E210-R212 PolarHBondContact OE1-NE 3.45Å; E210-R212 IonicContact OE1-NH2 2.79Å; E210-R212 PolarHBondContact OE1-NH2 2.77Å; E210-R212 IonicContact OE2-NH2 3.23Å
213W93.4Very high90.4Very high26 Ų2664.2 Ų64.210%0.09832%0.318CS..EExtended strand (participates in β ladder)trans-128.4133.5178.5-57.2-74.2000110.3T185 L188 K189 A192 E199 I200 F202 Q211 Y215T185-W213 HydrophobicContact CG2-CH2 3.89Å; T185-W213 HydrophobicContact CG2-CZ2 3.77Å; L188-W213 HydrophobicContact CB-CE3 4.21Å; L188-W213 HydrophobicContact CB-CH2 4.42Å; L188-W213 HydrophobicContact CB-CZ3 3.68Å; K189-W213 HydrophobicContact CB-CD2 4.18Å; K189-W213 HydrophobicContact CB-CG 4.46Å; K189-W213 HydrophobicContact CB-CZ2 4.37Å; K189-W213 HydrophobicContact CG-CD2 4.42Å; K189-W213 HydrophobicContact CG-CG 4.24Å; A192-W213 HydrophobicContact CB-CB 3.54Å; E199-W213 WeakPolarHBondContact CA-O 3.45Å; I200-W213 HydrophobicContact CG2-CE3 4.36Å; I200-W213 PolarHBondContact N-O 2.68Å; I200-W213 PolarHBondContact O-N 3.43Å; F202-W213 HydrophobicContact CB-CH2 3.98Å; F202-W213 HydrophobicContact CB-CZ3 3.73Å; Q211-W213 HydrophobicContact CB-CH2 3.56Å; Q211-W213 HydrophobicContact CB-CZ2 3.53Å; Q211-W213 HydrophobicContact CB-CZ3 4.22Å; Q211-W213 HydrophobicContact CG-CH2 4.37Å; Q211-W213 HydrophobicContact CG-CZ2 4.21Å; W213-Y215 HydrophobicContact CB-CD2 4.42Å; W213-Y215 HydrophobicContact CB-CE2 3.96Å; W213-Y215 HydrophobicContact CG-CE2 4.35Å
214C91.4Very high89.8Confident63 Ų6362.1 Ų62.143%0.42632%0.316SS..  trans-152.5106.2171.9-179.10000107.5
215Y86.5Confident89.3Confident23 Ų2366.7 Ų66.79%0.0934%0.337CS..  trans-103.8126.5-178.4-68-83.9000109.4K189 A192 V193 P196 G197 W213 D221 E225K189-Y215 WeakPolarHBondContact CE-OH 3.43Å; K189-Y215 HydrophobicContact CG-CE2 4.37Å; A192-Y215 HydrophobicContact CB-CD2 4.13Å; A192-Y215 HydrophobicContact CB-CE2 4.47Å; V193-Y215 HydrophobicContact CB-CD2 4.31Å; V193-Y215 HydrophobicContact CG2-CD1 4.43Å; V193-Y215 HydrophobicContact CG2-CD2 3.43Å; V193-Y215 VanDerWaalsContact CG2-CD2 3.43Å; V193-Y215 HydrophobicContact CG2-CE1 4.43Å; V193-Y215 HydrophobicContact CG2-CE2 3.42Å; V193-Y215 VanDerWaalsContact CG2-CE2 3.42Å; V193-Y215 HydrophobicContact CG2-CG 3.96Å; P196-Y215 CarbonylContact C-O 3.59Å; P196-Y215 VanDerWaalsContact CA-O 3.28Å; P196-Y215 WeakPolarHBondContact CA-O 3.46Å; G197-Y215 PolarHBondContact N-O 2.88Å; W213-Y215 HydrophobicContact CB-CD2 4.42Å; W213-Y215 HydrophobicContact CB-CE2 3.96Å; W213-Y215 HydrophobicContact CG-CE2 4.35Å; Y215-D221 HydrophobicContact CD1-CB 3.64Å; Y215-D221 HydrophobicContact CE1-CB 4.16Å; Y215-E225 PolarHBondContact OH-OE2 3.16Å
216Q84.4Confident88.7Confident129 Ų12965.9 Ų65.960%0.60334%0.343SS*.SBendtrans-87.8-41.6178.5-64.1-63.4-4500110.9G218Q216-G218 VanDerWaalsContact C-N 3.34Å
217D79.5Confident88.4Confident112 Ų11263 Ų6360%0.59933%0.328SS*.SBendtrans-97.715.2178.6-67.8-20.6000112.5L219 N220 D221D217-L219 PolarHBondContact O-N 2.9Å; D217-L219 VanDerWaalsContact O-N 3.17Å; D217-N220 HydrophobicContact CB-CB 4.49Å; D217-N220 PolarHBondContact O-N 3.35Å; D217-D221 PolarHBondContact N-OD2 2.89Å
218G82.4Confident88.1Confident2 Ų265 Ų652%0.02134%0.339CS..THydrogen-bonded Turntrans50-114.7169.700000114V193 Q216 N220 D221 Y222V193-G218 CarbonylContact O-C 3.52Å; V193-G218 WeakPolarHBondContact O-CA 3.35Å; Q216-G218 VanDerWaalsContact C-N 3.34Å; G218-N220 VanDerWaalsContact C-N 3.25Å; G218-N220 PolarHBondContact O-N 3.11Å; G218-D221 PolarHBondContact O-N 3.17Å; G218-Y222 PolarHBondContact O-N 3.45Å
219L84.7Confident87.6Confident17 Ų1761.4 Ų61.49%0.08934%0.337CS..Hα-helixtrans-56.6-34.7-174.9-60.5-172.7000113.8V193 L194 D217 L223 D250 A252 V319V193-L219 HydrophobicContact CG1-CD2 3.92Å; L194-L219 HydrophobicContact CD2-CD2 3.66Å; D217-L219 PolarHBondContact O-N 2.9Å; D217-L219 VanDerWaalsContact O-N 3.17Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 PolarHBondContact O-N 3.06Å; L219-D250 HydrophobicContact CD1-CB 3.72Å; L219-A252 HydrophobicContact CB-CB 3.89Å; L219-V319 HydrophobicContact CD2-CB 4.2Å; L219-V319 HydrophobicContact CD2-CG1 3.53Å
220N84.2Confident87.3Confident40 Ų4061.4 Ų61.421%0.21433%0.334CS..Hα-helixtrans-66.6-52.3-176.8175.946.1000111.5D217 G218 Y222 L223 A224 P237 I239D217-N220 HydrophobicContact CB-CB 4.49Å; D217-N220 PolarHBondContact O-N 3.35Å; G218-N220 VanDerWaalsContact C-N 3.25Å; G218-N220 PolarHBondContact O-N 3.11Å; N220-Y222 PolarHBondContact O-N 3.49Å; N220-L223 PolarHBondContact O-N 2.95Å; N220-A224 VanDerWaalsContact O-CB 3.24Å; N220-A224 WeakPolarHBondContact O-CB 3.45Å; N220-A224 PolarHBondContact O-N 3.49Å; N220-P237 WeakPolarHBondContact OD1-CG 3.23Å; N220-I239 HydrophobicContact CB-CD1 3.65Å; N220-I239 HydrophobicContact CB-CG1 4.32Å; N220-I239 VanDerWaalsContact CG-CD1 3.48Å; N220-I239 WeakPolarHBondContact OD1-CD1 3.33Å
221D84.3Confident87Confident56 Ų5659.1 Ų59.130%0.29933%0.329SS..Hα-helixtrans-58.4-41179.6-70.7-19.9000110.6Y215 D217 G218 E225Y215-D221 HydrophobicContact CD1-CB 3.64Å; Y215-D221 HydrophobicContact CE1-CB 4.16Å; D217-D221 PolarHBondContact N-OD2 2.89Å; G218-D221 PolarHBondContact O-N 3.17Å; D221-E225 VanDerWaalsContact O-CB 3.23Å; D221-E225 WeakPolarHBondContact O-CB 3.44Å; D221-E225 PolarHBondContact O-N 2.96Å
222Y86.4Confident86.9Confident12 Ų1257.2 Ų57.25%0.04732%0.322CS..Hα-helixtrans-65.8-49-180-175.6-123.5000113.3K189 V193 G218 N220 A224 E225 A226 L263 E265 V319K189-Y222 HydrophobicContact CD-CE2 4.04Å; K189-Y222 HydrophobicContact CG-CE2 4.23Å; V193-Y222 HydrophobicContact CB-CG 4.18Å; V193-Y222 VanDerWaalsContact CG1-CB 3.41Å; V193-Y222 HydrophobicContact CG1-CD1 3.84Å; V193-Y222 HydrophobicContact CG1-CG 3.7Å; V193-Y222 HydrophobicContact CG2-CD1 4.26Å; V193-Y222 HydrophobicContact CG2-CD2 3.54Å; V193-Y222 HydrophobicContact CG2-CE2 4.28Å; V193-Y222 HydrophobicContact CG2-CG 3.53Å; G218-Y222 PolarHBondContact O-N 3.45Å; N220-Y222 PolarHBondContact O-N 3.49Å; Y222-A224 VanDerWaalsContact C-N 3.34Å; Y222-E225 PolarHBondContact O-N 3.23Å; Y222-A226 WeakPolarHBondContact O-CB 3.44Å; Y222-A226 PolarHBondContact O-N 3.42Å; Y222-L263 HydrophobicContact CD1-CD2 3.86Å; Y222-L263 HydrophobicContact CE1-CD1 4.09Å; Y222-L263 HydrophobicContact CE1-CD2 3.63Å; Y222-L263 HydrophobicContact CE1-CG 4.37Å; Y222-E265 WeakPolarHBondContact CE1-OE2 3.49Å; Y222-E265 PolarHBondContact OH-OE1 3.38Å; Y222-E265 PolarHBondContact OH-OE2 2.69Å; Y222-V319 HydrophobicContact CD1-CG2 3.94Å; Y222-V319 HydrophobicContact CE1-CG2 4.27Å
223L88Confident86.7Confident0 Ų050.8 Ų50.80%030%0.299CS..Hα-helixtrans-65-40.9178.1179.960000110.9L219 N220 A226 V227 P237 A252 L254 L263 A317 V319L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 PolarHBondContact O-N 3.06Å; N220-L223 PolarHBondContact O-N 2.95Å; L223-A226 PolarHBondContact O-N 3.43Å; L223-V227 HydrophobicContact CD1-CG1 4.3Å; L223-V227 WeakPolarHBondContact O-CG2 3.43Å; L223-V227 PolarHBondContact O-N 3.08Å; L223-P237 HydrophobicContact CD2-CB 3.94Å; L223-P237 HydrophobicContact CD2-CG 4.16Å; L223-P237 HydrophobicContact CG-CG 4.45Å; L223-A252 HydrophobicContact CB-CB 4.5Å; L223-A252 HydrophobicContact CD2-CB 3.85Å; L223-A252 WeakPolarHBondContact CD2-O 3.41Å; L223-L254 HydrophobicContact CD2-CD2 4.3Å; L223-L254 HydrophobicContact CD2-CG 4.2Å; L223-L254 HydrophobicContact CG-CD2 4.28Å; L223-L254 HydrophobicContact CG-CG 4.45Å; L223-L263 HydrophobicContact CD1-CB 4.26Å; L223-L263 HydrophobicContact CD1-CD2 3.88Å; L223-A317 HydrophobicContact CD1-CB 4.03Å; L223-V319 HydrophobicContact CB-CG2 4.32Å
224A85.9Confident86.7Confident41 Ų4150 Ų5034%0.33930%0.297SS..Hα-helixtrans-64.9-40.2177.400000112.6N220 Y222 N228N220-A224 VanDerWaalsContact O-CB 3.24Å; N220-A224 WeakPolarHBondContact O-CB 3.45Å; N220-A224 PolarHBondContact O-N 3.49Å; Y222-A224 VanDerWaalsContact C-N 3.34Å; A224-N228 PolarHBondContact O-N 2.97Å; A224-N228 VanDerWaalsContact O-N 3.13Å
225E86Confident86.6Confident97 Ų9755.4 Ų55.445%0.45332%0.316SS..Hα-helixtrans-62.7-42.8174.8-169.9-167.914700111K189 Y215 D221 Y222 V227 N228K189-E225 IonicContact NZ-OE1 3.55Å; K189-E225 PolarHBondContact NZ-OE1 2.99Å; K189-E225 IonicContact NZ-OE2 3.96Å; Y215-E225 PolarHBondContact OH-OE2 3.16Å; D221-E225 VanDerWaalsContact O-CB 3.23Å; D221-E225 WeakPolarHBondContact O-CB 3.44Å; D221-E225 PolarHBondContact O-N 2.96Å; Y222-E225 PolarHBondContact O-N 3.23Å; E225-V227 VanDerWaalsContact C-N 3.34Å; E225-V227 PolarHBondContact O-N 3.44Å; E225-N228 WeakPolarHBondContact O-CB 3.02Å; E225-N228 PolarHBondContact O-N 3.26Å
226A85.1Confident86.7Confident52 Ų5262.3 Ų62.343%0.4335%0.347SS..Hα-helixtrans-67.6-30.2-177.900000113.9Y222 L223 L263Y222-A226 WeakPolarHBondContact O-CB 3.44Å; Y222-A226 PolarHBondContact O-N 3.42Å; L223-A226 PolarHBondContact O-N 3.43Å; A226-L263 HydrophobicContact CB-CB 4.23Å; A226-L263 HydrophobicContact CB-CD1 4.46Å; A226-L263 HydrophobicContact CB-CD2 3.78Å; A226-L263 HydrophobicContact CB-CG 4.39Å
227V86.1Confident87Confident8 Ų857 Ų575%0.04832%0.323CS..THydrogen-bonded Turntrans-105.18.8-179.4-52.90000113.3L223 E225 G229 L230 T232 L254 L256 A317L223-V227 HydrophobicContact CD1-CG1 4.3Å; L223-V227 WeakPolarHBondContact O-CG2 3.43Å; L223-V227 PolarHBondContact O-N 3.08Å; E225-V227 VanDerWaalsContact C-N 3.34Å; E225-V227 PolarHBondContact O-N 3.44Å; V227-G229 PolarHBondContact O-N 3.4Å; V227-L230 WeakPolarHBondContact O-CB 3.46Å; V227-L230 PolarHBondContact O-N 3.23Å; V227-T232 HydrophobicContact CB-CG2 4.26Å; V227-T232 HydrophobicContact CG2-CG2 3.68Å; V227-L254 HydrophobicContact CG1-CD1 4.31Å; V227-L254 HydrophobicContact CG2-CD1 4.47Å; V227-L254 HydrophobicContact CG2-CD2 3.97Å; V227-L256 HydrophobicContact CB-CD2 4.19Å; V227-L256 HydrophobicContact CG1-CD1 4.35Å; V227-L256 HydrophobicContact CG1-CD2 4.15Å; V227-A317 HydrophobicContact CG1-CB 4.47Å
228N84.4Confident87.8Confident139 Ų13952 Ų5274%0.74330%0.297SS*.THydrogen-bonded Turntrans-56128.7-176-173.520.5000111.5A224 E225A224-N228 PolarHBondContact O-N 2.97Å; A224-N228 VanDerWaalsContact O-N 3.13Å; E225-N228 WeakPolarHBondContact O-CB 3.02Å; E225-N228 PolarHBondContact O-N 3.26Å
229G84.6Confident88.3Confident74 Ų7456 Ų5676%0.76332%0.316SS*.THydrogen-bonded Turntrans87.2-2.7-178.300000115.4V227V227-G229 PolarHBondContact O-N 3.4Å
230L88.6Confident88.7Confident65 Ų6555.9 Ų55.934%0.3432%0.319SS..SBendtrans-97.5146.4172.9-59.2175.7000111V227 T232 L256V227-L230 WeakPolarHBondContact O-CB 3.46Å; V227-L230 PolarHBondContact O-N 3.23Å; L230-T232 PolarHBondContact O-N 3.44Å; L230-L256 HydrophobicContact CB-CD2 4.33Å; L230-L256 HydrophobicContact CD1-CD1 3.98Å; L230-L256 HydrophobicContact CD1-CD2 4.43Å
231P89.4Confident89Confident59 Ų5959.7 Ų59.738%0.38334%0.34SS..  trans-63.9123.9167.1-23.336000110.7P257 E258P231-P257 WeakPolarHBondContact O-CD 3.31Å; P231-E258 HydrophobicContact CB-CG 4.38Å; P231-E258 HydrophobicContact CG-CB 4.45Å; P231-E258 HydrophobicContact CG-CG 4.29Å
232T93.3Very high89.4Confident31 Ų3161.8 Ų61.819%0.1935%0.346CS..  trans-114.9150.7-178.755.70000110.9V227 L230 P234 E235 L254 W255 L256V227-T232 HydrophobicContact CB-CG2 4.26Å; V227-T232 HydrophobicContact CG2-CG2 3.68Å; L230-T232 PolarHBondContact O-N 3.44Å; T232-P234 CarbonylContact C-O 3.58Å; T232-P234 WeakPolarHBondContact CB-O 3.02Å; T232-P234 PolarHBondContact OG1-O 3.2Å; T232-E235 WeakPolarHBondContact OG1-CA 3.12Å; T232-E235 PolarHBondContact OG1-O 3.44Å; T232-L254 HydrophobicContact CG2-CD1 3.86Å; T232-L254 HydrophobicContact CG2-CD2 3.88Å; T232-W255 WeakPolarHBondContact CA-O 3.47Å; T232-L256 HydrophobicContact CG2-CD2 3.87Å
233L92.1Very high89.4Confident21 Ų2165 Ų6511%0.1138%0.376CS..EExtended strand (participates in β ladder)trans-134.7118.4171-176.168.9000109.4W255 A364 L367 L368 M371L233-W255 PolarHBondContact N-O 2.89Å; L233-W255 WeakPolarHBondContact O-CB 3.35Å; L233-W255 PolarHBondContact O-N 3.04Å; L233-A364 HydrophobicContact CD1-CB 4.26Å; L233-L367 HydrophobicContact CD1-CB 4.06Å; L233-L367 HydrophobicContact CD1-CD1 4.06Å; L233-L367 HydrophobicContact CD2-CB 3.7Å; L233-L368 HydrophobicContact CB-CD2 4.42Å; L233-L368 HydrophobicContact CD2-CB 4.39Å; L233-L368 HydrophobicContact CD2-CD2 3.59Å; L233-L368 HydrophobicContact CD2-CG 3.64Å; L233-L368 HydrophobicContact CG-CD2 3.78Å; L233-L368 HydrophobicContact CG-CG 3.8Å; L233-M371 HydrophobicContact CD2-SD 3.47Å; L233-M371 WeakPolarHBondContact CD2-SD 3.39Å
234P92.7Very high89Confident9 Ų966.4 Ų66.46%0.05839%0.39CS..EExtended strand (participates in β ladder)cis-59.7163.5-1327.7-37.3000114T232 K236 W357T232-P234 CarbonylContact C-O 3.58Å; T232-P234 WeakPolarHBondContact CB-O 3.02Å; T232-P234 PolarHBondContact OG1-O 3.2Å; P234-K236 WeakPolarHBondContact CB-O 3.25Å; P234-K236 WeakPolarHBondContact CG-O 3.39Å; P234-K236 PolarHBondContact O-N 2.97Å; P234-W357 HydrophobicContact CB-CH2 3.84Å; P234-W357 HydrophobicContact CB-CZ2 3.59Å; P234-W357 HydrophobicContact CG-CH2 3.77Å; P234-W357 HydrophobicContact CG-CZ2 3.54Å
235E88.9Confident88.5Confident176 Ų17671.6 Ų71.682%0.82241%0.412SS*.EExtended strand (participates in β ladder)trans-56.3-37176.9-69.9-176.8173.900112.6T232T232-E235 WeakPolarHBondContact OG1-CA 3.12Å; T232-E235 PolarHBondContact OG1-O 3.44Å
236K88.6Confident88.2Confident169 Ų16970.1 Ų70.174%0.73541%0.41SS*.EExtended strand (participates in β ladder)trans-111136.4172.3-66.1-175.7179.3-176.90109.3P234P234-K236 WeakPolarHBondContact CB-O 3.25Å; P234-K236 WeakPolarHBondContact CG-O 3.39Å; P234-K236 PolarHBondContact O-N 2.97Å
237P92.4Very high88.3Confident16 Ų1668.3 Ų68.310%0.10439%0.392CS..EExtended strand (participates in β ladder)trans-51.3142.3-179.4-2126.3000113.3N220 L223 I239 L254N220-P237 WeakPolarHBondContact OD1-CG 3.23Å; L223-P237 HydrophobicContact CD2-CB 3.94Å; L223-P237 HydrophobicContact CD2-CG 4.16Å; L223-P237 HydrophobicContact CG-CG 4.45Å; P237-I239 HydrophobicContact CB-CD1 4.42Å; P237-I239 HydrophobicContact CB-CG1 4.09Å; P237-I239 PolarHBondContact O-N 3.47Å; P237-L254 HydrophobicContact CB-CD2 4.26Å; P237-L254 HydrophobicContact CG-CD2 3.84Å
238F94.8Very high88.5Confident9 Ų968.4 Ų68.44%0.03939%0.394CS..EExtended strand (participates in β ladder)trans-73.4112.9164.7172.3-118.9000108.4W251 A252 L253 A353 F354 W357F238-W251 AromaticContact CD1-NE1 3.59Å; F238-W251 AromaticContact CE1-CD1 3.93Å; F238-W251 HydrophobicContact CE1-CZ2 4.45Å; F238-W251 AromaticContact CE1-NE1 3.1Å; F238-W251 HydrophobicContact CZ-CZ2 4.25Å; F238-W251 AromaticContact CZ-NE1 3.6Å; F238-A252 WeakPolarHBondContact O-CA 3.23Å; F238-L253 HydrophobicContact CB-CD1 4.17Å; F238-L253 HydrophobicContact CB-CG 4.37Å; F238-L253 HydrophobicContact CD1-CD1 4.01Å; F238-L253 HydrophobicContact CD1-CD2 4.15Å; F238-L253 HydrophobicContact CD1-CG 3.98Å; F238-L253 PolarHBondContact N-O 3.33Å; F238-L253 PolarHBondContact O-N 3.02Å; F238-A353 HydrophobicContact CZ-CB 3.96Å; F238-F354 AromaticContact CD1-CD2 3.61Å; F238-F354 HydrophobicContact CD1-CD2 3.61Å; F238-F354 HydrophobicContact CD1-CE2 4.11Å; F238-F354 HydrophobicContact CD2-CD2 4.39Å; F238-F354 HydrophobicContact CE1-CB 3.89Å; F238-F354 AromaticContact CE1-CD2 3.52Å; F238-F354 HydrophobicContact CE1-CD2 3.52Å; F238-F354 HydrophobicContact CE1-CE2 4.45Å; F238-F354 HydrophobicContact CE1-CG 4.1Å; F238-F354 HydrophobicContact CE2-CD2 4.34Å; F238-F354 HydrophobicContact CG-CD2 4.06Å; F238-F354 HydrophobicContact CG-CE2 4.36Å; F238-F354 HydrophobicContact CZ-CB 3.97Å; F238-F354 AromaticContact CZ-CD2 3.91Å; F238-F354 HydrophobicContact CZ-CD2 3.91Å; F238-F354 HydrophobicContact CZ-CG 4.44Å; F238-W357 HydrophobicContact CD2-CB 3.87Å; F238-W357 AromaticContact CD2-CD1 3.49Å; F238-W357 VanDerWaalsContact CD2-CD1 3.49Å; F238-W357 AromaticContact CD2-CD2 3.97Å; F238-W357 HydrophobicContact CD2-CD2 3.97Å; F238-W357 AromaticContact CD2-CG 3.48Å; F238-W357 HydrophobicContact CD2-CG 3.48Å; F238-W357 VanDerWaalsContact CD2-CG 3.48Å; F238-W357 AromaticContact CD2-NE1 3.95Å; F238-W357 HydrophobicContact CE2-CB 3.54Å; F238-W357 AromaticContact CE2-CD1 3.92Å; F238-W357 AromaticContact CE2-CG 3.71Å; F238-W357 HydrophobicContact CE2-CG 3.71Å; F238-W357 HydrophobicContact CG-CG 4.43Å; F238-W357 HydrophobicContact CZ-CB 4.37Å
239I93.8Very high88.9Confident84 Ų8461.8 Ų61.843%0.43136%0.358SS..EExtended strand (participates in β ladder)trans-115.8143.7-176.2-57.1148.7000108.3N220 P237 W251 A252N220-I239 HydrophobicContact CB-CD1 3.65Å; N220-I239 HydrophobicContact CB-CG1 4.32Å; N220-I239 VanDerWaalsContact CG-CD1 3.48Å; N220-I239 WeakPolarHBondContact OD1-CD1 3.33Å; P237-I239 HydrophobicContact CB-CD1 4.42Å; P237-I239 HydrophobicContact CB-CG1 4.09Å; P237-I239 PolarHBondContact O-N 3.47Å; I239-W251 VanDerWaalsContact CA-O 3.31Å; I239-W251 WeakPolarHBondContact CA-O 3.46Å; I239-A252 HydrophobicContact CG1-CB 4.14Å
240G92.1Very high89.3Confident15 Ų1560.4 Ų60.416%0.15533%0.334CS..EExtended strand (participates in β ladder)trans-158.8164.7165.100000111.8W251G240-W251 VanDerWaalsContact CA-CE2 3.48Å; G240-W251 VanDerWaalsContact CA-CZ2 3.43Å; G240-W251 PolarHBondContact N-O 3.23Å; G240-W251 VanDerWaalsContact N-O 3.08Å; G240-W251 VanDerWaalsContact O-CE3 3.24Å; G240-W251 PolarHBondContact O-N 3.35Å
241N92.3Very high89.6Confident121 Ų12157.5 Ų57.565%0.64732%0.318SS*.EExtended strand (participates in β ladder)trans-141.5149.4175.169-40.7000109.7V249 D250N241-V249 CarbonylContact C-O 3.5Å; N241-V249 VanDerWaalsContact CA-O 3.26Å; N241-V249 WeakPolarHBondContact CA-O 3.18Å; N241-D250 WeakPolarHBondContact CB-OD1 3.24Å
242F91.4Very high89.8Confident99 Ų9954.7 Ų54.743%0.43430%0.3SS..EExtended strand (participates in β ladder)trans-149.3135.1172-172-90.1000109.6A248 V249 F345 V349F242-A248 CarbonylContact O-C 3.57Å; F242-A248 WeakPolarHBondContact O-CA 3.39Å; F242-A248 WeakPolarHBondContact O-CB 3.47Å; F242-V249 HydrophobicContact CB-CG1 4.33Å; F242-V249 PolarHBondContact N-O 2.92Å; F242-V249 PolarHBondContact O-N 3.19Å; F242-F345 AromaticContact CD1-CE2 3.71Å; F242-F345 HydrophobicContact CD1-CE2 3.71Å; F242-F345 AromaticContact CD1-CZ 3.72Å; F242-F345 HydrophobicContact CD1-CZ 3.72Å; F242-F345 AromaticContact CE1-CE2 3.84Å; F242-F345 HydrophobicContact CE1-CE2 3.84Å; F242-F345 HydrophobicContact CE1-CZ 4.29Å; F242-V349 HydrophobicContact CB-CB 4.45Å; F242-V349 HydrophobicContact CB-CG1 3.39Å; F242-V349 HydrophobicContact CB-CG2 4.17Å; F242-V349 HydrophobicContact CD1-CG1 4.47Å; F242-V349 HydrophobicContact CD1-CG2 3.67Å; F242-V349 HydrophobicContact CD2-CG1 4.39Å; F242-V349 HydrophobicContact CD2-CG2 4.42Å; F242-V349 HydrophobicContact CE1-CG2 4.14Å; F242-V349 HydrophobicContact CG-CG1 3.86Å; F242-V349 HydrophobicContact CG-CG2 3.82Å
243A87.8Confident89.9Confident80 Ų8053.2 Ų53.266%0.66129%0.291SS*.EExtended strand (participates in β ladder)trans-121.9115.3174.800000109.1A248A243-A248 HydrophobicContact CB-CB 4Å
244G79Confident90.1Very high29 Ų2952.3 Ų52.330%0.29929%0.286SS..  trans-92.3-172.6163.800000111.4E247G244-E247 WeakPolarHBondContact CA-O 3.49Å; G244-E247 PolarHBondContact N-O 2.82Å
245D75Confident90.3Very high151 Ų15152.3 Ų52.381%0.80729%0.285SS*.SBendtrans-68.9-35.8-177.1-64-31.4000113.2
246T80.8Confident90.5Very high66 Ų6643.9 Ų43.941%0.40525%0.246SC..SBendtrans-117.4-14-172.955.60000113.8Q325T246-Q325 PolarHBondContact O-N 3.17Å; T246-Q325 VanDerWaalsContact O-N 3.14Å
247E86.2Confident90.6Very high13 Ų1338.8 Ų38.86%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-144.5142.1-173-57.7-176.3166.700109.6G244 K323 M324 Q341 F345G244-E247 WeakPolarHBondContact CA-O 3.49Å; G244-E247 PolarHBondContact N-O 2.82Å; E247-K323 CarbonylContact C-O 3.58Å; E247-K323 WeakPolarHBondContact CA-O 3.12Å; E247-M324 HydrophobicContact CB-CB 4.46Å; E247-M324 HydrophobicContact CG-CB 3.86Å; E247-Q341 WeakPolarHBondContact OE1-CG 3.29Å; E247-Q341 PolarHBondContact OE1-NE2 3.04Å; E247-F345 HydrophobicContact CB-CD1 3.97Å; E247-F345 HydrophobicContact CB-CE1 3.75Å; E247-F345 HydrophobicContact CB-CE2 4.4Å; E247-F345 HydrophobicContact CB-CG 4.38Å; E247-F345 HydrophobicContact CB-CZ 3.97Å; E247-F345 WeakPolarHBondContact O-CZ 3.31Å; E247-F345 VanDerWaalsContact OE2-CB 3.25Å; E247-F345 WeakPolarHBondContact OE2-CB 3.4Å; E247-F345 WeakPolarHBondContact OE2-CD1 3.46Å; E247-F345 VanDerWaalsContact OE2-CG 3.29Å; E247-F345 WeakPolarHBondContact OE2-CG 3.31Å
248A89.3Confident90.3Very high10 Ų1045.6 Ų45.68%0.08326%0.26CS..EExtended strand (participates in β ladder)trans-134.1153.7170.600000109.5F242 A243 V322 K323F242-A248 CarbonylContact O-C 3.57Å; F242-A248 WeakPolarHBondContact O-CA 3.39Å; F242-A248 WeakPolarHBondContact O-CB 3.47Å; A243-A248 HydrophobicContact CB-CB 4Å; A248-V322 CarbonylContact O-C 3.6Å; A248-V322 WeakPolarHBondContact O-CA 3.31Å; A248-K323 HydrophobicContact CB-CB 4.23Å; A248-K323 PolarHBondContact N-O 3.49Å; A248-K323 PolarHBondContact O-N 3.32Å
249V93.5Very high89.7Confident0 Ų046.3 Ų46.30%027%0.271CS..EExtended strand (participates in β ladder)trans-142.3135.117859.50000109.8N241 F242 W251 L320 S321 V322 F345 V346 V349N241-V249 CarbonylContact C-O 3.5Å; N241-V249 VanDerWaalsContact CA-O 3.26Å; N241-V249 WeakPolarHBondContact CA-O 3.18Å; F242-V249 HydrophobicContact CB-CG1 4.33Å; F242-V249 PolarHBondContact N-O 2.92Å; F242-V249 PolarHBondContact O-N 3.19Å; V249-W251 HydrophobicContact CG1-CE3 4.14Å; V249-W251 HydrophobicContact CG1-CZ3 3.9Å; V249-W251 HydrophobicContact CG2-CE3 4.12Å; V249-L320 HydrophobicContact CG2-CD1 3.52Å; V249-S321 CarbonylContact C-O 3.47Å; V249-S321 WeakPolarHBondContact CA-O 3.22Å; V249-V322 HydrophobicContact CB-CG2 4.3Å; V249-V322 HydrophobicContact CG2-CG2 3.89Å; V249-F345 HydrophobicContact CB-CE1 4.04Å; V249-F345 HydrophobicContact CG1-CD1 4.48Å; V249-F345 HydrophobicContact CG1-CE1 3.69Å; V249-F345 HydrophobicContact CG1-CZ 4.18Å; V249-V346 HydrophobicContact CB-CG2 4.49Å; V249-V346 HydrophobicContact CG2-CG2 4.2Å; V249-V349 HydrophobicContact CG1-CG1 4.08Å
250D92.8Very high89.2Confident46 Ų4644.1 Ų44.125%0.24627%0.269CS..EExtended strand (participates in β ladder)trans-120.4134.8171.5-58.5-76.8000107.4L219 N241 S321L219-D250 HydrophobicContact CD1-CB 3.72Å; N241-D250 WeakPolarHBondContact CB-OD1 3.24Å; D250-S321 PolarHBondContact N-O 2.65Å; D250-S321 PolarHBondContact O-N 3.09Å
251W95.3Very high88.8Confident4 Ų451.9 Ų51.92%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-139.5147.6177.366.390.1000111.4F238 I239 G240 V249 V319 L320 V349 V350 A353F238-W251 AromaticContact CD1-NE1 3.59Å; F238-W251 AromaticContact CE1-CD1 3.93Å; F238-W251 HydrophobicContact CE1-CZ2 4.45Å; F238-W251 AromaticContact CE1-NE1 3.1Å; F238-W251 HydrophobicContact CZ-CZ2 4.25Å; F238-W251 AromaticContact CZ-NE1 3.6Å; I239-W251 VanDerWaalsContact CA-O 3.31Å; I239-W251 WeakPolarHBondContact CA-O 3.46Å; G240-W251 VanDerWaalsContact CA-CE2 3.48Å; G240-W251 VanDerWaalsContact CA-CZ2 3.43Å; G240-W251 PolarHBondContact N-O 3.23Å; G240-W251 VanDerWaalsContact N-O 3.08Å; G240-W251 VanDerWaalsContact O-CE3 3.24Å; G240-W251 PolarHBondContact O-N 3.35Å; V249-W251 HydrophobicContact CG1-CE3 4.14Å; V249-W251 HydrophobicContact CG1-CZ3 3.9Å; V249-W251 HydrophobicContact CG2-CE3 4.12Å; W251-V319 WeakPolarHBondContact CA-O 3.31Å; W251-L320 HydrophobicContact CB-CD1 4.09Å; W251-V349 HydrophobicContact CH2-CG1 3.56Å; W251-V349 HydrophobicContact CZ3-CG1 3.63Å; W251-V350 HydrophobicContact CD2-CG2 4.28Å; W251-V350 HydrophobicContact CE3-CG2 4.43Å; W251-A353 HydrophobicContact CH2-CB 4.09Å; W251-A353 HydrophobicContact CZ2-CB 3.61Å
252A94.7Very high88.6Confident0 Ų048.9 Ų48.90%028%0.284CS..EExtended strand (participates in β ladder)trans-135130.616500000107.8L219 L223 F238 I239 Y318 V319L219-A252 HydrophobicContact CB-CB 3.89Å; L223-A252 HydrophobicContact CB-CB 4.5Å; L223-A252 HydrophobicContact CD2-CB 3.85Å; L223-A252 WeakPolarHBondContact CD2-O 3.41Å; F238-A252 WeakPolarHBondContact O-CA 3.23Å; I239-A252 HydrophobicContact CG1-CB 4.14Å; A252-Y318 CarbonylContact O-C 3.58Å; A252-Y318 VanDerWaalsContact O-CA 3.31Å; A252-Y318 WeakPolarHBondContact O-CA 3.22Å; A252-V319 PolarHBondContact N-O 3.31Å; A252-V319 PolarHBondContact O-N 2.79Å
253L95.5Very high88.4Confident0 Ų045.3 Ų45.30%027%0.27CS..EExtended strand (participates in β ladder)trans-150.9152.7179.963.892.1000113.2F238 W255 L283 L287 A317F238-L253 HydrophobicContact CB-CD1 4.17Å; F238-L253 HydrophobicContact CB-CG 4.37Å; F238-L253 HydrophobicContact CD1-CD1 4.01Å; F238-L253 HydrophobicContact CD1-CD2 4.15Å; F238-L253 HydrophobicContact CD1-CG 3.98Å; F238-L253 PolarHBondContact N-O 3.33Å; F238-L253 PolarHBondContact O-N 3.02Å; L253-W255 HydrophobicContact CD1-CE3 4.2Å; L253-W255 HydrophobicContact CD1-CH2 3.3Å; L253-W255 HydrophobicContact CD1-CZ2 4.23Å; L253-W255 HydrophobicContact CD1-CZ3 3.28Å; L253-L283 HydrophobicContact CD2-CD1 3.87Å; L253-L287 HydrophobicContact CD1-CD2 4.5Å; L253-L287 HydrophobicContact CD2-CD1 4.09Å; L253-L287 HydrophobicContact CD2-CD2 4.2Å; L253-A317 CarbonylContact C-O 3.55Å; L253-A317 VanDerWaalsContact CA-O 3.28Å; L253-A317 WeakPolarHBondContact CA-O 3.25Å
254L95.8Very high88.6Confident2 Ų245.1 Ų45.11%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-156.9174.4173.257.879.6000110L223 V227 T232 P237 L256 A317L223-L254 HydrophobicContact CD2-CD2 4.3Å; L223-L254 HydrophobicContact CD2-CG 4.2Å; L223-L254 HydrophobicContact CG-CD2 4.28Å; L223-L254 HydrophobicContact CG-CG 4.45Å; V227-L254 HydrophobicContact CG1-CD1 4.31Å; V227-L254 HydrophobicContact CG2-CD1 4.47Å; V227-L254 HydrophobicContact CG2-CD2 3.97Å; T232-L254 HydrophobicContact CG2-CD1 3.86Å; T232-L254 HydrophobicContact CG2-CD2 3.88Å; P237-L254 HydrophobicContact CB-CD2 4.26Å; P237-L254 HydrophobicContact CG-CD2 3.84Å; L254-L256 HydrophobicContact CD1-CD2 3.63Å; L254-L256 HydrophobicContact CD1-CG 4.16Å; L254-A317 HydrophobicContact CD1-CB 4.05Å; L254-A317 PolarHBondContact N-O 3.49Å; L254-A317 PolarHBondContact O-N 3Å; L254-A317 VanDerWaalsContact O-O 3.06Å
255W96.2Very high89.2Confident8 Ų844.7 Ų44.73%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-114.8146.4177.6-71.3-99.7000111.7T232 L233 L253 P257 L287 I312 R315 F354 L368 M371T232-W255 WeakPolarHBondContact CA-O 3.47Å; L233-W255 PolarHBondContact N-O 2.89Å; L233-W255 WeakPolarHBondContact O-CB 3.35Å; L233-W255 PolarHBondContact O-N 3.04Å; L253-W255 HydrophobicContact CD1-CE3 4.2Å; L253-W255 HydrophobicContact CD1-CH2 3.3Å; L253-W255 HydrophobicContact CD1-CZ2 4.23Å; L253-W255 HydrophobicContact CD1-CZ3 3.28Å; W255-P257 WeakPolarHBondContact O-CD 3.38Å; W255-L287 HydrophobicContact CH2-CD1 4.34Å; W255-L287 HydrophobicContact CZ2-CD1 4.27Å; W255-I312 HydrophobicContact CZ2-CG2 3.91Å; W255-I312 PolarHBondContact NE1-O 3.09Å; W255-R315 WeakPolarHBondContact CA-O 3.31Å; W255-F354 HydrophobicContact CH2-CE2 4.22Å; W255-F354 AromaticContact CH2-CZ 3.74Å; W255-F354 HydrophobicContact CH2-CZ 3.74Å; W255-F354 HydrophobicContact CZ3-CE2 4.37Å; W255-F354 HydrophobicContact CZ3-CZ 4.17Å; W255-L368 HydrophobicContact CB-CD2 4.08Å; W255-L368 HydrophobicContact CD2-CD2 3.49Å; W255-L368 VanDerWaalsContact CD2-CD2 3.49Å; W255-L368 HydrophobicContact CE3-CD1 4.17Å; W255-L368 HydrophobicContact CE3-CD2 3.35Å; W255-L368 HydrophobicContact CE3-CG 4.43Å; W255-L368 HydrophobicContact CG-CD2 3.81Å; W255-L368 HydrophobicContact CZ3-CD1 4.05Å; W255-L368 HydrophobicContact CZ3-CD2 3.97Å; W255-M371 HydrophobicContact CB-CE 4.05Å
256L94.1Very high90.1Very high0 Ų037.8 Ų37.80%021%0.214CC..  trans-109.983.7177.4-62.5-173000110.7V227 L230 T232 L254 E258 G259 L262 R315V227-L256 HydrophobicContact CB-CD2 4.19Å; V227-L256 HydrophobicContact CG1-CD1 4.35Å; V227-L256 HydrophobicContact CG1-CD2 4.15Å; L230-L256 HydrophobicContact CB-CD2 4.33Å; L230-L256 HydrophobicContact CD1-CD1 3.98Å; L230-L256 HydrophobicContact CD1-CD2 4.43Å; T232-L256 HydrophobicContact CG2-CD2 3.87Å; L254-L256 HydrophobicContact CD1-CD2 3.63Å; L254-L256 HydrophobicContact CD1-CG 4.16Å; L256-E258 VanDerWaalsContact C-N 3.33Å; L256-E258 PolarHBondContact O-N 2.81Å; L256-G259 PolarHBondContact O-N 3.16Å; L256-L262 HydrophobicContact CB-CD2 4.27Å; L256-L262 HydrophobicContact CD1-CD2 3.82Å; L256-L262 HydrophobicContact CG-CD2 4.13Å; L256-R315 PolarHBondContact N-O 3.39Å; L256-R315 PolarHBondContact O-NE 2.98Å; L256-R315 VanDerWaalsContact O-NE 3.14Å
257P89.1Confident90.7Very high61 Ų6135 Ų3540%0.39620%0.196SC..THydrogen-bonded Turntrans-60.7-35.4-174.121.6-33.9000114.2P231 W255 M371P231-P257 WeakPolarHBondContact O-CD 3.31Å; W255-P257 WeakPolarHBondContact O-CD 3.38Å; P257-M371 HydrophobicContact CB-CE 3.92Å; P257-M371 HydrophobicContact CB-SD 3.92Å
258E86.9Confident90.9Very high159 Ų15934.3 Ų34.374%0.74319%0.193SC*.THydrogen-bonded Turntrans-94.6-1.1-172.9-65.9-167-173.600114.7P231 L256P231-E258 HydrophobicContact CB-CG 4.38Å; P231-E258 HydrophobicContact CG-CB 4.45Å; P231-E258 HydrophobicContact CG-CG 4.29Å; L256-E258 VanDerWaalsContact C-N 3.33Å; L256-E258 PolarHBondContact O-N 2.81Å
259G82.1Confident90.8Very high25 Ų2534 Ų3426%0.25819%0.19SC..  trans110.8-169.1-173.600000112.9L256 R315L256-G259 PolarHBondContact O-N 3.16Å; G259-R315 PolarHBondContact O-NH2 2.76Å
260G82.6Confident90.3Very high38 Ų3834.1 Ų34.139%0.39219%0.191SC..  trans107.4164.2-17200000113.8R315G260-R315 PolarHBondContact O-NH1 2.77Å; G260-R315 PolarHBondContact O-NH2 3.2Å
261E84Confident89.8Confident178 Ų17832.4 Ų32.483%0.83218%0.181SC*.  trans-71131.2175.5-170.1170-172.600109.6
262L87.7Confident89.4Confident57 Ų5734 Ų3430%0.29819%0.192SC..  trans-91123.7-179-66.4168000108.9L256 T264 A317L256-L262 HydrophobicContact CB-CD2 4.27Å; L256-L262 HydrophobicContact CD1-CD2 3.82Å; L256-L262 HydrophobicContact CG-CD2 4.13Å; L262-T264 HydrophobicContact CB-CG2 3.95Å; L262-T264 PolarHBondContact O-N 2.82Å; L262-A317 HydrophobicContact CD2-CB 4.13Å
263L88.5Confident89.2Confident25 Ų2534.1 Ų34.113%0.13119%0.193CC..  trans-75.9110.7162.4-172.471.5000108Y222 L223 A226 E265 A317 Y318 V319Y222-L263 HydrophobicContact CD1-CD2 3.86Å; Y222-L263 HydrophobicContact CE1-CD1 4.09Å; Y222-L263 HydrophobicContact CE1-CD2 3.63Å; Y222-L263 HydrophobicContact CE1-CG 4.37Å; L223-L263 HydrophobicContact CD1-CB 4.26Å; L223-L263 HydrophobicContact CD1-CD2 3.88Å; A226-L263 HydrophobicContact CB-CB 4.23Å; A226-L263 HydrophobicContact CB-CD1 4.46Å; A226-L263 HydrophobicContact CB-CD2 3.78Å; A226-L263 HydrophobicContact CB-CG 4.39Å; L263-E265 HydrophobicContact CD1-CG 3.99Å; L263-E265 WeakPolarHBondContact CD1-OE1 3.3Å; L263-E265 HydrophobicContact CG-CG 4.35Å; L263-A317 CarbonylContact O-C 3.57Å; L263-A317 VanDerWaalsContact O-CA 3.29Å; L263-A317 WeakPolarHBondContact O-CA 3.35Å; L263-Y318 PolarHBondContact O-N 2.78Å; L263-Y318 VanDerWaalsContact O-O 3.13Å; L263-V319 HydrophobicContact CD2-CG2 3.52Å; L263-V319 HydrophobicContact CG-CG2 4.24Å
264T92Very high88.7Confident75 Ų7541.3 Ų41.346%0.4623%0.228SC..EExtended strand (participates in β ladder)trans-126.986.9178.358.10000109.7L262 Y318L262-T264 HydrophobicContact CB-CG2 3.95Å; L262-T264 PolarHBondContact O-N 2.82Å; T264-Y318 HydrophobicContact CG2-CD1 4.11Å; T264-Y318 HydrophobicContact CG2-CE1 3.76Å
265E92Very high88.3Confident21 Ų2146.8 Ų46.810%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-122.5139.6-174.7-66.3-177.1-171.400111.7H186 Y222 L263 Y267 Y318 V319 L320H186-E265 IonicContact CE1-OE1 3.03Å; H186-E265 PolarHBondContact CE1-OE1 2.9Å; H186-E265 IonicContact NE2-OE1 3.4Å; Y222-E265 WeakPolarHBondContact CE1-OE2 3.49Å; Y222-E265 PolarHBondContact OH-OE1 3.38Å; Y222-E265 PolarHBondContact OH-OE2 2.69Å; L263-E265 HydrophobicContact CD1-CG 3.99Å; L263-E265 WeakPolarHBondContact CD1-OE1 3.3Å; L263-E265 HydrophobicContact CG-CG 4.35Å; E265-Y267 HydrophobicContact CB-CE2 3.72Å; E265-Y267 VanDerWaalsContact CD-OH 3.31Å; E265-Y267 WeakPolarHBondContact OE2-CE2 3.35Å; E265-Y267 PolarHBondContact OE2-OH 2.85Å; E265-Y318 PolarHBondContact N-O 3.26Å; E265-Y318 WeakPolarHBondContact O-CD2 3.47Å; E265-Y318 VanDerWaalsContact O-CE2 3.27Å; E265-Y318 WeakPolarHBondContact O-CE2 3.41Å; E265-V319 HydrophobicContact CB-CG1 4.41Å; E265-V319 WeakPolarHBondContact O-CA 3.35Å; E265-L320 PolarHBondContact O-N 2.96Å
266S93.7Very high88.1Confident5 Ų546.9 Ų46.94%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-136.8143.4174.449.90000111.8T273 V280 L320S266-T273 VanDerWaalsContact CB-OG1 3.31Å; S266-T273 WeakPolarHBondContact CB-OG1 3.4Å; S266-T273 PolarHBondContact O-N 3.1Å; S266-T273 PolarHBondContact O-OG1 3Å; S266-T273 PolarHBondContact OG-O 3.04Å; S266-T273 VanDerWaalsContact OG-O 3.07Å; S266-T273 PolarHBondContact OG-OG1 3.23Å; S266-V280 WeakPolarHBondContact OG-CG2 3.45Å; S266-L320 CarbonylContact C-O 3.56Å; S266-L320 VanDerWaalsContact CA-O 3.26Å; S266-L320 WeakPolarHBondContact CA-O 3.35Å
267Y92.3Very high88Confident7 Ų747 Ų473%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-134143.4-174.9-58.6-87.1000110.8A190 L194 E265 I271 P272 V319 L320 V322A190-Y267 HydrophobicContact CB-CE1 4.05Å; A190-Y267 WeakPolarHBondContact CB-OH 3.34Å; L194-Y267 HydrophobicContact CD1-CD1 3.42Å; L194-Y267 VanDerWaalsContact CD1-CD1 3.42Å; L194-Y267 HydrophobicContact CD1-CD2 3.74Å; L194-Y267 HydrophobicContact CD1-CE1 3.71Å; L194-Y267 HydrophobicContact CD1-CE2 4.01Å; L194-Y267 HydrophobicContact CD1-CG 3.44Å; L194-Y267 VanDerWaalsContact CD1-CG 3.44Å; L194-Y267 HydrophobicContact CD2-CD2 3.78Å; L194-Y267 HydrophobicContact CD2-CE2 4.32Å; L194-Y267 HydrophobicContact CD2-CG 4.08Å; L194-Y267 HydrophobicContact CG-CD2 4.3Å; L194-Y267 HydrophobicContact CG-CG 4.39Å; E265-Y267 HydrophobicContact CB-CE2 3.72Å; E265-Y267 VanDerWaalsContact CD-OH 3.31Å; E265-Y267 WeakPolarHBondContact OE2-CE2 3.35Å; E265-Y267 PolarHBondContact OE2-OH 2.85Å; Y267-I271 CarbonylContact C-O 3.57Å; Y267-I271 VanDerWaalsContact CA-O 3.24Å; Y267-I271 WeakPolarHBondContact CA-O 3.34Å; Y267-P272 HydrophobicContact CD1-CB 4.23Å; Y267-P272 HydrophobicContact CD1-CG 4.34Å; Y267-P272 HydrophobicContact CE1-CB 3.97Å; Y267-P272 HydrophobicContact CE1-CG 4.04Å; Y267-V319 HydrophobicContact CD2-CG1 4.34Å; Y267-V319 HydrophobicContact CE2-CG1 4.02Å; Y267-L320 PolarHBondContact N-O 3.13Å; Y267-V322 PolarHBondContact O-N 2.94Å
268V90.6Very high88.2Confident0 Ų045.2 Ų45.20%025%0.247CC..EExtended strand (participates in β ladder)trans-130.2118.8170.1-177.80000108.2L270 I271 T273 V322 M324 P327 F329 L337V268-L270 PolarHBondContact O-N 3.1Å; V268-I271 PolarHBondContact N-O 3.5Å; V268-I271 VanDerWaalsContact O-CB 3.31Å; V268-I271 WeakPolarHBondContact O-CB 3.44Å; V268-I271 PolarHBondContact O-N 3.25Å; V268-T273 HydrophobicContact CB-CG2 4.42Å; V268-T273 HydrophobicContact CG2-CG2 3.92Å; V268-V322 CarbonylContact C-O 3.52Å; V268-V322 VanDerWaalsContact CA-O 3.27Å; V268-V322 WeakPolarHBondContact CA-O 3.27Å; V268-V322 HydrophobicContact CG2-CB 4.41Å; V268-M324 HydrophobicContact CG1-CG 4.03Å; V268-M324 HydrophobicContact CG1-SD 4.24Å; V268-P327 HydrophobicContact CG1-CB 3.82Å; V268-P327 HydrophobicContact CG1-CG 4.24Å; V268-F329 HydrophobicContact CB-CE1 3.94Å; V268-F329 HydrophobicContact CB-CZ 3.81Å; V268-F329 HydrophobicContact CG1-CE1 4.4Å; V268-F329 HydrophobicContact CG1-CZ 3.93Å; V268-F329 HydrophobicContact CG2-CE1 4.38Å; V268-L337 HydrophobicContact CG1-CD1 4.08Å; V268-L337 HydrophobicContact CG2-CB 4.27Å; V268-L337 HydrophobicContact CG2-CD1 4.15Å; V268-L337 HydrophobicContact CG2-CD2 3.92Å; V268-L337 HydrophobicContact CG2-CG 4.34Å
269N86.8Confident88.6Confident3 Ų337.7 Ų37.72%0.01621%0.211CC..THydrogen-bonded Turntrans47.946.4-171.3-63.5-7000111.7S108 G109 I271 V322 K323 M324 P327S108-N269 VanDerWaalsContact O-CB 3.26Å; S108-N269 WeakPolarHBondContact O-CB 3.49Å; S108-N269 PolarHBondContact O-ND2 3.42Å; G109-N269 WeakPolarHBondContact CA-O 3.4Å; N269-I271 PolarHBondContact O-N 3.04Å; N269-I271 VanDerWaalsContact O-N 3.1Å; N269-V322 PolarHBondContact N-O 3.16Å; N269-K323 VanDerWaalsContact OD1-CA 3.22Å; N269-K323 WeakPolarHBondContact OD1-CA 3.34Å; N269-M324 PolarHBondContact ND2-O 3Å; N269-M324 PolarHBondContact OD1-N 2.85Å; N269-M324 PolarHBondContact OD1-O 3.01Å; N269-P327 WeakPolarHBondContact ND2-CG 3.4Å
270L83.8Confident89.3Confident3 Ų336.9 Ų36.92%0.01620%0.202CC..THydrogen-bonded Turntrans65.6-4.2-174.3-52.3178.5000116.7V44 L48 K191 L194 V268V44-L270 HydrophobicContact CB-CD1 4.32Å; V44-L270 HydrophobicContact CG1-CD1 3.33Å; L48-L270 HydrophobicContact CD1-CD1 3.26Å; L48-L270 HydrophobicContact CD1-CG 3.68Å; L48-L270 HydrophobicContact CD2-CD1 3.93Å; L48-L270 HydrophobicContact CD2-CD2 4.28Å; L48-L270 HydrophobicContact CD2-CG 4.26Å; L48-L270 HydrophobicContact CG-CD1 3.53Å; L48-L270 HydrophobicContact CG-CG 4.24Å; K191-L270 HydrophobicContact CD-CB 4.01Å; K191-L270 HydrophobicContact CD-CD1 4.39Å; K191-L270 PolarHBondContact NZ-O 3.38Å; L194-L270 HydrophobicContact CB-CD2 3.3Å; L194-L270 HydrophobicContact CD1-CD2 3.88Å; L194-L270 HydrophobicContact CG-CD2 4.16Å; V268-L270 PolarHBondContact O-N 3.1Å
271I83Confident89.8Confident10 Ų1037.6 Ų37.65%0.05120%0.196CC..EExtended strand (participates in β ladder)trans-77.1126.5177.7-60162.2000108.6G109 Y267 V268 N269 T273 F329 K334G109-I271 VanDerWaalsContact CA-CD1 3.49Å; G109-I271 WeakPolarHBondContact O-CD1 3.16Å; Y267-I271 CarbonylContact C-O 3.57Å; Y267-I271 VanDerWaalsContact CA-O 3.24Å; Y267-I271 WeakPolarHBondContact CA-O 3.34Å; V268-I271 PolarHBondContact N-O 3.5Å; V268-I271 VanDerWaalsContact O-CB 3.31Å; V268-I271 WeakPolarHBondContact O-CB 3.44Å; V268-I271 PolarHBondContact O-N 3.25Å; N269-I271 PolarHBondContact O-N 3.04Å; N269-I271 VanDerWaalsContact O-N 3.1Å; I271-T273 PolarHBondContact O-N 3.11Å; I271-F329 HydrophobicContact CB-CZ 4.42Å; I271-F329 HydrophobicContact CD1-CE2 3.95Å; I271-F329 HydrophobicContact CD1-CZ 3.86Å; I271-K334 HydrophobicContact CD1-CD 3.39Å; I271-K334 HydrophobicContact CG1-CD 4.38Å; I271-K334 HydrophobicContact CG2-CB 3.74Å; I271-K334 HydrophobicContact CG2-CD 4.16Å
272P87Confident90.3Very high36 Ų3629.2 Ų29.223%0.23416%0.158CC..EExtended strand (participates in β ladder)trans-63.2130.2174.9-13.125.6000110.6Y267Y267-P272 HydrophobicContact CD1-CB 4.23Å; Y267-P272 HydrophobicContact CD1-CG 4.34Å; Y267-P272 HydrophobicContact CE1-CB 3.97Å; Y267-P272 HydrophobicContact CE1-CG 4.04Å
273T89.6Confident90.7Very high3 Ų326.5 Ų26.52%0.01814%0.144CC..  trans-10976.4175.347.10000108.9S266 V268 I271 Q275 G276 H279 F329 E335S266-T273 VanDerWaalsContact CB-OG1 3.31Å; S266-T273 WeakPolarHBondContact CB-OG1 3.4Å; S266-T273 PolarHBondContact O-N 3.1Å; S266-T273 PolarHBondContact O-OG1 3Å; S266-T273 PolarHBondContact OG-O 3.04Å; S266-T273 VanDerWaalsContact OG-O 3.07Å; S266-T273 PolarHBondContact OG-OG1 3.23Å; V268-T273 HydrophobicContact CB-CG2 4.42Å; V268-T273 HydrophobicContact CG2-CG2 3.92Å; I271-T273 PolarHBondContact O-N 3.11Å; T273-Q275 PolarHBondContact O-N 2.87Å; T273-G276 WeakPolarHBondContact O-CA 3.22Å; T273-G276 PolarHBondContact O-N 2.75Å; T273-H279 PolarHBondContact OG1-CE1 3.06Å; T273-H279 PolarHBondContact OG1-NE2 3.47Å; T273-F329 HydrophobicContact CG2-CD1 4.3Å; T273-F329 HydrophobicContact CG2-CE1 3.77Å; T273-E335 CarbonylContact C-O 3.48Å; T273-E335 VanDerWaalsContact CA-O 3.27Å; T273-E335 WeakPolarHBondContact CA-O 3.22Å
274M85Confident91.1Very high152 Ų15228.4 Ų28.475%0.74915%0.149SC*.THydrogen-bonded Turntrans-58.2-29.8-173.2-65.9-170.9-73.700113.4E335M274-E335 HydrophobicContact CE-CG 3.99Å; M274-E335 PolarHBondContact N-O 3.13Å
275Q87.2Confident91.2Very high117 Ų11727.3 Ų27.355%0.54714%0.139SC..THydrogen-bonded Turntrans-95.59.8176.4-59.4-173.519.400112.8T273 E335 R336T273-Q275 PolarHBondContact O-N 2.87Å; Q275-E335 HydrophobicContact CG-CB 4.15Å; Q275-E335 PolarHBondContact N-O 2.89Å; Q275-E335 PolarHBondContact NE2-OE2 3.3Å; Q275-R336 HydrophobicContact CB-CB 4.08Å; Q275-R336 HydrophobicContact CB-CG 4.48Å
276G91.5Very high91.4Very high9 Ų926.3 Ų26.39%0.09313%0.134CC..  trans67.3-133.5-176.100000112.3T273 H279 R336 L337T273-G276 WeakPolarHBondContact O-CA 3.22Å; T273-G276 PolarHBondContact O-N 2.75Å; G276-H279 VanDerWaalsContact C-CE1 3.47Å; G276-H279 PolarHBondContact O-CE1 2.88Å; G276-H279 VanDerWaalsContact O-CE1 3.27Å; G276-R336 VanDerWaalsContact O-CA 3.26Å; G276-R336 WeakPolarHBondContact O-CA 3.27Å; G276-L337 PolarHBondContact O-N 3.27Å; G276-L337 VanDerWaalsContact O-N 3.15Å
277G92.8Very high91.5Very high4 Ų426.1 Ų26.14%0.04113%0.132CC..BIsolated β-bridgetrans147.6-161.9-178.700000112.9H279 V280 N281 L337G277-H279 VanDerWaalsContact C-N 3.31Å; G277-H279 PolarHBondContact O-N 2.8Å; G277-V280 PolarHBondContact O-N 2.9Å; G277-N281 PolarHBondContact O-N 2.98Å; G277-L337 VanDerWaalsContact CA-O 3.31Å; G277-L337 WeakPolarHBondContact CA-O 3.42Å
278T93.8Very high91.7Very high23 Ų2326 Ų2614%0.14113%0.132CC..Hα-helixtrans-60-37.4-179.2500000113N281 G282 L337 S339 A343T278-N281 PolarHBondContact O-N 3.18Å; T278-G282 PolarHBondContact O-N 2.86Å; T278-L337 PolarHBondContact N-O 3.39Å; T278-L337 VanDerWaalsContact N-O 3.13Å; T278-L337 VanDerWaalsContact OG1-CD2 3.29Å; T278-L337 WeakPolarHBondContact OG1-CD2 3.3Å; T278-L337 WeakPolarHBondContact OG1-CG 3.39Å; T278-S339 VanDerWaalsContact CB-O 3.22Å; T278-S339 WeakPolarHBondContact CB-O 3.31Å; T278-S339 PolarHBondContact OG1-O 3.05Å; T278-A343 WeakPolarHBondContact O-CA 3.49Å; T278-A343 VanDerWaalsContact O-CB 3.25Å; T278-A343 WeakPolarHBondContact O-CB 3.49Å
279H94.5Very high91.9Very high0 Ų028.1 Ų28.10%014%0.144CC..Hα-helixtrans-62-45.9174.856.2-47.9000113T273 G276 G277 G282 L283 L320 V322 L337 V346T273-H279 PolarHBondContact OG1-CE1 3.06Å; T273-H279 PolarHBondContact OG1-NE2 3.47Å; G276-H279 VanDerWaalsContact C-CE1 3.47Å; G276-H279 PolarHBondContact O-CE1 2.88Å; G276-H279 VanDerWaalsContact O-CE1 3.27Å; G277-H279 VanDerWaalsContact C-N 3.31Å; G277-H279 PolarHBondContact O-N 2.8Å; H279-G282 PolarHBondContact O-N 2.97Å; H279-L283 PolarHBondContact O-N 3.24Å; H279-L320 HydrophobicContact CB-CD2 4.15Å; H279-V322 HydrophobicContact CB-CG2 3.83Å; H279-L337 HydrophobicContact CB-CD2 3.9Å; H279-L337 VanDerWaalsContact CE1-CB 3.49Å; H279-L337 WeakPolarHBondContact CE1-CB 3.26Å; H279-L337 WeakPolarHBondContact ND1-CB 3.16Å; H279-V346 HydrophobicContact CB-CG2 4.46Å
280V96.3Very high92.4Very high9 Ų928 Ų286%0.05514%0.143CC..Hα-helixtrans-65.3-41176.81790000110.7S266 G277 G282 L283 R284 W313 L320S266-V280 WeakPolarHBondContact OG-CG2 3.45Å; G277-V280 PolarHBondContact O-N 2.9Å; V280-G282 VanDerWaalsContact C-N 3.3Å; V280-G282 PolarHBondContact O-N 3.44Å; V280-L283 WeakPolarHBondContact O-CB 3.16Å; V280-L283 PolarHBondContact O-N 2.95Å; V280-R284 VanDerWaalsContact O-CG 3.3Å; V280-R284 WeakPolarHBondContact O-CG 3.48Å; V280-R284 PolarHBondContact O-N 2.89Å; V280-W313 HydrophobicContact CG1-CH2 4.24Å; V280-W313 HydrophobicContact CG1-CZ2 3.74Å; V280-L320 HydrophobicContact CG2-CD2 4.17Å
281N94.6Very high93Very high52 Ų5228 Ų2828%0.27814%0.143SC..Hα-helixtrans-63.1-37.3174.1-72-17.6000112G277 T278 R284 Q285G277-N281 PolarHBondContact O-N 2.98Å; T278-N281 PolarHBondContact O-N 3.18Å; N281-R284 PolarHBondContact O-N 3.43Å; N281-Q285 WeakPolarHBondContact O-CB 3.43Å; N281-Q285 PolarHBondContact O-N 3.25Å
282G94.1Very high93.6Very high2 Ų231.7 Ų31.72%0.02116%0.156CC..Hα-helixtrans-59.6-48.1171.600000112.2T278 H279 V280 R284 Q285 G286 A343 S347T278-G282 PolarHBondContact O-N 2.86Å; H279-G282 PolarHBondContact O-N 2.97Å; V280-G282 VanDerWaalsContact C-N 3.3Å; V280-G282 PolarHBondContact O-N 3.44Å; G282-R284 PolarHBondContact O-N 3.3Å; G282-Q285 PolarHBondContact O-N 3.42Å; G282-G286 PolarHBondContact O-N 2.87Å; G282-A343 VanDerWaalsContact CA-O 3.31Å; G282-A343 WeakPolarHBondContact CA-O 3.46Å; G282-S347 WeakPolarHBondContact O-CA 2.93Å; G282-S347 WeakPolarHBondContact O-CB 3.45Å
283L96.6Very high93.9Very high1 Ų134.2 Ų34.21%0.00517%0.165CC..Hα-helixtrans-57.5-47.7176176.660.4000111.3L253 H279 V280 Q285 G286 L287 W313 Y318 L320 V346 V350L253-L283 HydrophobicContact CD2-CD1 3.87Å; H279-L283 PolarHBondContact O-N 3.24Å; V280-L283 WeakPolarHBondContact O-CB 3.16Å; V280-L283 PolarHBondContact O-N 2.95Å; L283-Q285 VanDerWaalsContact C-N 3.35Å; L283-Q285 PolarHBondContact O-N 3.11Å; L283-G286 PolarHBondContact O-N 2.96Å; L283-L287 HydrophobicContact CD1-CD1 4.39Å; L283-L287 HydrophobicContact CD1-CG 4.41Å; L283-L287 WeakPolarHBondContact O-CG 3.41Å; L283-L287 PolarHBondContact O-N 3.18Å; L283-L287 VanDerWaalsContact O-N 3.11Å; L283-W313 HydrophobicContact CB-CH2 4.33Å; L283-W313 HydrophobicContact CD2-CH2 3.66Å; L283-W313 HydrophobicContact CD2-CZ3 4.21Å; L283-W313 HydrophobicContact CG-CH2 3.78Å; L283-W313 HydrophobicContact CG-CZ3 3.92Å; L283-Y318 HydrophobicContact CD2-CD2 4.02Å; L283-Y318 HydrophobicContact CD2-CG 4.42Å; L283-L320 HydrophobicContact CB-CD2 4.11Å; L283-L320 HydrophobicContact CD2-CB 4.12Å; L283-L320 HydrophobicContact CD2-CD1 4.21Å; L283-L320 HydrophobicContact CD2-CD2 3.95Å; L283-L320 HydrophobicContact CD2-CG 4.32Å; L283-V346 HydrophobicContact CB-CG1 4Å; L283-V350 HydrophobicContact CD1-CB 4.35Å; L283-V350 HydrophobicContact CD1-CG1 3.82Å; L283-V350 HydrophobicContact CD1-CG2 3.7Å
284R96Very high94.2Very high64 Ų6434.1 Ų34.124%0.24216%0.164CC..Hα-helixtrans-56.7-46.7176.2-72.217676.9-1652.5112.5V280 N281 G282 L288 A309 W313V280-R284 VanDerWaalsContact O-CG 3.3Å; V280-R284 WeakPolarHBondContact O-CG 3.48Å; V280-R284 PolarHBondContact O-N 2.89Å; N281-R284 PolarHBondContact O-N 3.43Å; G282-R284 PolarHBondContact O-N 3.3Å; R284-L288 WeakPolarHBondContact O-CB 3.49Å; R284-L288 PolarHBondContact O-N 2.95Å; R284-L288 VanDerWaalsContact O-N 3.11Å; R284-A309 HydrophobicContact CB-CB 4.36Å; R284-W313 HydrophobicContact CB-CE3 4.21Å; R284-W313 HydrophobicContact CB-CZ3 4.21Å; R284-W313 HydrophobicContact CG-CD2 3.43Å; R284-W313 VanDerWaalsContact CG-CD2 3.43Å; R284-W313 HydrophobicContact CG-CE3 3.35Å; R284-W313 HydrophobicContact CG-CG 4.13Å; R284-W313 HydrophobicContact CG-CH2 3.53Å; R284-W313 HydrophobicContact CG-CZ2 3.64Å; R284-W313 HydrophobicContact CG-CZ3 3.39Å
285Q94.4Very high94.7Very high53 Ų5326.9 Ų26.925%0.24813%0.129CC..Hα-helixtrans-70-42.2-177.2-171.756.644.500111.7N281 G282 L283 L287 L288 D289N281-Q285 WeakPolarHBondContact O-CB 3.43Å; N281-Q285 PolarHBondContact O-N 3.25Å; G282-Q285 PolarHBondContact O-N 3.42Å; L283-Q285 VanDerWaalsContact C-N 3.35Å; L283-Q285 PolarHBondContact O-N 3.11Å; Q285-L287 PolarHBondContact O-N 3.41Å; Q285-L288 WeakPolarHBondContact O-CB 3.36Å; Q285-L288 PolarHBondContact O-N 3.45Å; Q285-D289 PolarHBondContact NE2-OD1 3.02Å; Q285-D289 PolarHBondContact NE2-OD2 3.46Å; Q285-D289 PolarHBondContact O-N 3.22Å
286G95.1Very high94.9Very high0 Ų027.9 Ų27.90%013%0.133CC..Hα-helixtrans-60.1-44.2176.700000112.9G282 L283 A290 S347G282-G286 PolarHBondContact O-N 2.87Å; L283-G286 PolarHBondContact O-N 2.96Å; G286-A290 WeakPolarHBondContact O-CB 3.38Å; G286-A290 PolarHBondContact O-N 3.41Å; G286-A290 VanDerWaalsContact O-N 3.14Å; G286-S347 WeakPolarHBondContact CA-O 3.24Å; G286-S347 PolarHBondContact N-OG 2.96Å
287L97.1Very high94.9Very high0 Ų035.9 Ų35.90%016%0.162CC..Hα-helixtrans-63.3-41.3174.4-66.6177.4000112.1L253 W255 L283 Q285 M291 I312 W313 V350 F354L253-L287 HydrophobicContact CD1-CD2 4.5Å; L253-L287 HydrophobicContact CD2-CD1 4.09Å; L253-L287 HydrophobicContact CD2-CD2 4.2Å; W255-L287 HydrophobicContact CH2-CD1 4.34Å; W255-L287 HydrophobicContact CZ2-CD1 4.27Å; L283-L287 HydrophobicContact CD1-CD1 4.39Å; L283-L287 HydrophobicContact CD1-CG 4.41Å; L283-L287 WeakPolarHBondContact O-CG 3.41Å; L283-L287 PolarHBondContact O-N 3.18Å; L283-L287 VanDerWaalsContact O-N 3.11Å; Q285-L287 PolarHBondContact O-N 3.41Å; L287-M291 VanDerWaalsContact O-CB 3.28Å; L287-M291 WeakPolarHBondContact O-CB 3.34Å; L287-M291 PolarHBondContact O-N 3.04Å; L287-I312 HydrophobicContact CB-CG2 4.17Å; L287-W313 HydrophobicContact CD1-CE3 4.2Å; L287-W313 HydrophobicContact CD1-CZ3 3.81Å; L287-V350 HydrophobicContact CD2-CG1 3.78Å; L287-V350 HydrophobicContact CG-CG1 4.02Å; L287-F354 HydrophobicContact CB-CD1 4.5Å; L287-F354 HydrophobicContact CD2-CB 4.18Å; L287-F354 HydrophobicContact CD2-CD1 3.48Å; L287-F354 VanDerWaalsContact CD2-CD1 3.48Å; L287-F354 HydrophobicContact CD2-CD2 4.02Å; L287-F354 HydrophobicContact CD2-CE1 3.72Å; L287-F354 HydrophobicContact CD2-CE2 4.24Å; L287-F354 HydrophobicContact CD2-CG 3.64Å; L287-F354 HydrophobicContact CD2-CZ 4.1Å
288L96.3Very high94.9Very high4 Ų440.5 Ų40.52%0.02118%0.178CC..Hα-helixtrans-61.2-48.5178.6174.963.9000112.5R284 Q285 M291 R292 L307 A309 I312R284-L288 WeakPolarHBondContact O-CB 3.49Å; R284-L288 PolarHBondContact O-N 2.95Å; R284-L288 VanDerWaalsContact O-N 3.11Å; Q285-L288 WeakPolarHBondContact O-CB 3.36Å; Q285-L288 PolarHBondContact O-N 3.45Å; L288-M291 PolarHBondContact O-N 3.11Å; L288-R292 HydrophobicContact CD1-CG 4.16Å; L288-R292 WeakPolarHBondContact O-CB 3.23Å; L288-R292 VanDerWaalsContact O-CG 3.32Å; L288-R292 WeakPolarHBondContact O-CG 3.49Å; L288-R292 PolarHBondContact O-N 3.46Å; L288-L307 HydrophobicContact CD1-CB 3.97Å; L288-A309 HydrophobicContact CD2-CB 4.1Å; L288-I312 HydrophobicContact CB-CD1 4.15Å; L288-I312 HydrophobicContact CD1-CD1 3.57Å; L288-I312 HydrophobicContact CG-CD1 4.47Å
289D95.5Very high94.7Very high46 Ų4646.3 Ų46.325%0.24621%0.208CC..Hα-helixtrans-68.8-39.8-176.4-68.3-26000111.4Q285 R292 E293 K351Q285-D289 PolarHBondContact NE2-OD1 3.02Å; Q285-D289 PolarHBondContact NE2-OD2 3.46Å; Q285-D289 PolarHBondContact O-N 3.22Å; D289-R292 IonicContact OD1-NH1 3.44Å; D289-E293 WeakPolarHBondContact O-CB 3.39Å; D289-E293 PolarHBondContact O-N 2.85Å; D289-K351 HydrophobicContact CB-CD 4.08Å; D289-K351 HydrophobicContact CB-CG 4.33Å
290A96.3Very high94.6Very high0 Ų049.1 Ų49.10%022%0.223CC..Hα-helixtrans-64.1-43.4173.500000112.6G286 E293 F294 K351 F354 I355 L358G286-A290 WeakPolarHBondContact O-CB 3.38Å; G286-A290 PolarHBondContact O-N 3.41Å; G286-A290 VanDerWaalsContact O-N 3.14Å; A290-E293 PolarHBondContact O-N 2.96Å; A290-F294 WeakPolarHBondContact O-CB 3.26Å; A290-F294 PolarHBondContact O-N 3.15Å; A290-K351 HydrophobicContact CB-CG 4.1Å; A290-F354 HydrophobicContact CB-CB 4.16Å; A290-F354 HydrophobicContact CB-CD1 3.82Å; A290-F354 HydrophobicContact CB-CG 4.45Å; A290-I355 HydrophobicContact CB-CB 4.09Å; A290-I355 WeakPolarHBondContact O-CD1 3.46Å; A290-L358 HydrophobicContact CB-CD1 4.42Å
291M96.5Very high94.2Very high2 Ų251.3 Ų51.31%0.0123%0.234CC..Hα-helixtrans-66.7-39.3178.9-17757.470.700112.3L287 L288 F294 C295 L307 I312 F354 L358 L368 A369L287-M291 VanDerWaalsContact O-CB 3.28Å; L287-M291 WeakPolarHBondContact O-CB 3.34Å; L287-M291 PolarHBondContact O-N 3.04Å; L288-M291 PolarHBondContact O-N 3.11Å; M291-F294 PolarHBondContact O-N 3.14Å; M291-F294 HydrophobicContact SD-CD1 4.38Å; M291-C295 WeakPolarHBondContact O-CB 3.21Å; M291-C295 PolarHBondContact O-N 2.87Å; M291-C295 PolarHBondContact O-SG 3.39Å; M291-L307 HydrophobicContact CG-CD1 3.96Å; M291-I312 HydrophobicContact CB-CD1 3.5Å; M291-I312 HydrophobicContact CB-CG1 4.38Å; M291-I312 HydrophobicContact CG-CD1 3.71Å; M291-I312 HydrophobicContact CG-CG1 4.15Å; M291-F354 HydrophobicContact CE-CE1 4.14Å; M291-F354 HydrophobicContact CE-CZ 4.35Å; M291-L358 HydrophobicContact CE-CD1 4.38Å; M291-L358 HydrophobicContact CE-CD2 3.88Å; M291-L368 HydrophobicContact CE-CB 3.92Å; M291-A369 HydrophobicContact SD-CB 3.82Å
292R94.9Very high93.9Very high88 Ų8851.1 Ų51.133%0.33224%0.236SC..Hα-helixtrans-60.3-48.8174-77.7172.2173.9167.3-4.2111L288 D289 F294 C295 E296 L307L288-R292 HydrophobicContact CD1-CG 4.16Å; L288-R292 WeakPolarHBondContact O-CB 3.23Å; L288-R292 VanDerWaalsContact O-CG 3.32Å; L288-R292 WeakPolarHBondContact O-CG 3.49Å; L288-R292 PolarHBondContact O-N 3.46Å; D289-R292 IonicContact OD1-NH1 3.44Å; R292-F294 VanDerWaalsContact C-N 3.34Å; R292-F294 PolarHBondContact O-N 2.71Å; R292-C295 PolarHBondContact O-N 2.71Å; R292-E296 WeakPolarHBondContact O-CB 3.41Å; R292-E296 WeakPolarHBondContact O-CG 3.23Å; R292-E296 PolarHBondContact O-N 2.72Å; R292-L307 HydrophobicContact CG-CB 4.25Å; R292-L307 HydrophobicContact CG-CD1 4.42Å; R292-L307 PolarHBondContact NE-O 3.49Å; R292-L307 PolarHBondContact NH2-O 3.39Å
293E94.5Very high93.4Very high89 Ų8963.2 Ų63.242%0.41628%0.281SS..Hα-helixtrans-59.9-43.4179-169.7172.915100111.5D289 A290 E296 Y297 K351 I355D289-E293 WeakPolarHBondContact O-CB 3.39Å; D289-E293 PolarHBondContact O-N 2.85Å; A290-E293 PolarHBondContact O-N 2.96Å; E293-E296 PolarHBondContact O-N 3.35Å; E293-Y297 WeakPolarHBondContact O-CB 3.29Å; E293-Y297 PolarHBondContact O-N 2.92Å; E293-K351 WeakPolarHBondContact OE2-CE 3.39Å; E293-K351 IonicContact OE2-NZ 2.63Å; E293-K351 PolarHBondContact OE2-NZ 2.83Å; E293-I355 HydrophobicContact CB-CD1 4.11Å; E293-I355 HydrophobicContact CG-CD1 4.23Å
294F95.7Very high92.8Very high1 Ų166.2 Ų66.20%0.00431%0.311CS..Hα-helixtrans-61.9-46.2173.8179.4-100.3000112.7A290 M291 R292 E296 Y297 R298 I300 I355 L358 A365 E366A290-F294 WeakPolarHBondContact O-CB 3.26Å; A290-F294 PolarHBondContact O-N 3.15Å; M291-F294 PolarHBondContact O-N 3.14Å; M291-F294 HydrophobicContact SD-CD1 4.38Å; R292-F294 VanDerWaalsContact C-N 3.34Å; R292-F294 PolarHBondContact O-N 2.71Å; F294-E296 VanDerWaalsContact C-N 3.35Å; F294-E296 PolarHBondContact O-N 3.05Å; F294-Y297 PolarHBondContact O-N 3.17Å; F294-R298 HydrophobicContact CD1-CG 4.42Å; F294-R298 HydrophobicContact CD2-CG 4.17Å; F294-R298 HydrophobicContact CE1-CG 4.08Å; F294-R298 HydrophobicContact CE2-CG 3.83Å; F294-R298 HydrophobicContact CG-CG 4.46Å; F294-R298 HydrophobicContact CZ-CG 3.77Å; F294-R298 WeakPolarHBondContact O-CG 3.19Å; F294-R298 PolarHBondContact O-N 2.9Å; F294-I300 HydrophobicContact CD1-CD1 4.31Å; F294-I300 HydrophobicContact CE1-CD1 4.08Å; F294-I355 HydrophobicContact CB-CD1 4.1Å; F294-L358 HydrophobicContact CB-CB 4.47Å; F294-L358 HydrophobicContact CB-CD1 3.82Å; F294-L358 HydrophobicContact CD2-CB 3.75Å; F294-L358 HydrophobicContact CE2-CB 4.13Å; F294-L358 HydrophobicContact CG-CB 4.09Å; F294-L358 HydrophobicContact CG-CD1 4.16Å; F294-A365 HydrophobicContact CE1-CB 3.75Å; F294-A365 HydrophobicContact CE2-CB 4Å; F294-A365 HydrophobicContact CZ-CB 3.44Å; F294-A365 VanDerWaalsContact CZ-CB 3.44Å; F294-E366 HydrophobicContact CZ-CG 4.39Å
295C94.3Very high92.3Very high0 Ų063.9 Ų63.90%030%0.304CS..Hα-helixtrans-64.4-38.6-179.7-71.50000112.8M291 R292 N299 I300 L301M291-C295 WeakPolarHBondContact O-CB 3.21Å; M291-C295 PolarHBondContact O-N 2.87Å; M291-C295 PolarHBondContact O-SG 3.39Å; R292-C295 PolarHBondContact O-N 2.71Å; C295-N299 WeakPolarHBondContact O-CA 3.26Å; C295-N299 PolarHBondContact O-N 3.35Å; C295-I300 HydrophobicContact CB-CD1 4.41Å; C295-I300 HydrophobicContact CB-CG1 3.97Å; C295-I300 PolarHBondContact O-N 3.31Å; C295-I300 VanDerWaalsContact O-N 3.14Å; C295-L301 HydrophobicContact CB-CB 4.28Å
296E91.8Very high92.1Very high138 Ų13869.2 Ų69.265%0.64533%0.327SS*.Hα-helixtrans-66-45.9175.3-74.2177.5-177.600111R292 E293 F294 R298 N299R292-E296 WeakPolarHBondContact O-CB 3.41Å; R292-E296 WeakPolarHBondContact O-CG 3.23Å; R292-E296 PolarHBondContact O-N 2.72Å; E293-E296 PolarHBondContact O-N 3.35Å; F294-E296 VanDerWaalsContact C-N 3.35Å; F294-E296 PolarHBondContact O-N 3.05Å; E296-R298 PolarHBondContact O-N 3.02Å; E296-N299 PolarHBondContact O-N 3.41Å
297Y92.1Very high92Very high177 Ų17769.5 Ų69.569%0.69433%0.328SS*.Hα-helixtrans-62.9-41.3178.2179.6-105.8000113.1E293 F294 N299E293-Y297 WeakPolarHBondContact O-CB 3.29Å; E293-Y297 PolarHBondContact O-N 2.92Å; F294-Y297 PolarHBondContact O-N 3.17Å; Y297-N299 VanDerWaalsContact C-N 3.32Å
298R92Very high91.7Very high102 Ų10270.7 Ų70.739%0.38534%0.336SS..Hα-helixtrans-83.3-7178.7-59-68.9-83.6179.5-1.4113.5F294 E296 I300 E366F294-R298 HydrophobicContact CD1-CG 4.42Å; F294-R298 HydrophobicContact CD2-CG 4.17Å; F294-R298 HydrophobicContact CE1-CG 4.08Å; F294-R298 HydrophobicContact CE2-CG 3.83Å; F294-R298 HydrophobicContact CG-CG 4.46Å; F294-R298 HydrophobicContact CZ-CG 3.77Å; F294-R298 WeakPolarHBondContact O-CG 3.19Å; F294-R298 PolarHBondContact O-N 2.9Å; E296-R298 PolarHBondContact O-N 3.02Å; R298-I300 VanDerWaalsContact C-N 3.27Å; R298-I300 HydrophobicContact CB-CD1 4.29Å; R298-I300 HydrophobicContact CB-CG1 4.19Å; R298-I300 HydrophobicContact CB-CG2 3.99Å; R298-I300 PolarHBondContact O-N 2.81Å; R298-E366 IonicContact CZ-OE1 2.68Å; R298-E366 IonicContact NE-OE1 2.83Å; R298-E366 PolarHBondContact NE-OE1 3.48Å; R298-E366 IonicContact NH2-OE1 3.17Å; R298-E366 PolarHBondContact NH2-OE1 3.41Å
299N90.8Very high91.4Very high145 Ų14571.4 Ų71.478%0.77534%0.343SS*.THydrogen-bonded Turntrans54.539.5-177-164.335.1000113.7C295 E296 Y297C295-N299 WeakPolarHBondContact O-CA 3.26Å; C295-N299 PolarHBondContact O-N 3.35Å; E296-N299 PolarHBondContact O-N 3.41Å; Y297-N299 VanDerWaalsContact C-N 3.32Å
300I91.5Very high91.1Very high59 Ų5973.9 Ų73.930%0.30335%0.353SS..  trans-97.8-12.1-178.456.1177.9000113.1F294 C295 R298 P302 A369F294-I300 HydrophobicContact CD1-CD1 4.31Å; F294-I300 HydrophobicContact CE1-CD1 4.08Å; C295-I300 HydrophobicContact CB-CD1 4.41Å; C295-I300 HydrophobicContact CB-CG1 3.97Å; C295-I300 PolarHBondContact O-N 3.31Å; C295-I300 VanDerWaalsContact O-N 3.14Å; R298-I300 VanDerWaalsContact C-N 3.27Å; R298-I300 HydrophobicContact CB-CD1 4.29Å; R298-I300 HydrophobicContact CB-CG1 4.19Å; R298-I300 HydrophobicContact CB-CG2 3.99Å; R298-I300 PolarHBondContact O-N 2.81Å; I300-P302 VanDerWaalsContact O-CD 3.27Å; I300-P302 WeakPolarHBondContact O-CD 3.3Å; I300-A369 HydrophobicContact CD1-CB 3.46Å; I300-A369 VanDerWaalsContact CD1-CB 3.46Å
301L89Confident91Very high55 Ų5574.1 Ų74.129%0.28835%0.354SS..SBendtrans-72.5118.5-179.3-167.767.5000110.9C295 V305 L307 I373C295-L301 HydrophobicContact CB-CB 4.28Å; L301-V305 HydrophobicContact CD1-CB 4.4Å; L301-V305 HydrophobicContact CD1-CG1 4.26Å; L301-V305 WeakPolarHBondContact CD2-O 3.31Å; L301-L307 HydrophobicContact CD1-CD1 4.4Å; L301-L307 HydrophobicContact CD1-CD2 4.45Å; L301-L307 HydrophobicContact CD1-CG 4.06Å; L301-I373 HydrophobicContact CD1-CG1 4.19Å
302P87.4Confident90.8Very high48 Ų4874.3 Ų74.331%0.31236%0.355SS..PPolyproline II helixtrans-65144.3179.3-20.533000111.5I300 G304 V305 I373I300-P302 VanDerWaalsContact O-CD 3.27Å; I300-P302 WeakPolarHBondContact O-CD 3.3Å; P302-G304 PolarHBondContact O-N 3.3Å; P302-G304 VanDerWaalsContact O-N 3.14Å; P302-V305 HydrophobicContact CB-CG2 3.93Å; P302-V305 HydrophobicContact CG-CG2 4.31Å; P302-V305 WeakPolarHBondContact O-CB 3.43Å; P302-V305 PolarHBondContact O-N 3.21Å; P302-I373 HydrophobicContact CG-CG2 3.78Å
303R83.7Confident90.7Very high256 Ų25672.2 Ų72.297%0.96635%0.347SS*.THydrogen-bonded Turntrans-55.4121.9-178.6-170.6177.2179.5174.80.9111.5
304G83Confident90.5Very high63 Ų6371 Ų7165%0.64934%0.344SS*.THydrogen-bonded Turntrans89-3.5177.100000115.2P302P302-G304 PolarHBondContact O-N 3.3Å; P302-G304 VanDerWaalsContact O-N 3.14Å
305V87.1Confident90.3Very high15 Ų1574 Ų749%0.09136%0.355CS..  trans-84133.8170.8179.80000108.9L301 P302 A376 Q377 M380L301-V305 HydrophobicContact CD1-CB 4.4Å; L301-V305 HydrophobicContact CD1-CG1 4.26Å; L301-V305 WeakPolarHBondContact CD2-O 3.31Å; P302-V305 HydrophobicContact CB-CG2 3.93Å; P302-V305 HydrophobicContact CG-CG2 4.31Å; P302-V305 WeakPolarHBondContact O-CB 3.43Å; P302-V305 PolarHBondContact O-N 3.21Å; V305-A376 HydrophobicContact CG1-CB 3.8Å; V305-Q377 HydrophobicContact CG2-CG 4.16Å; V305-M380 HydrophobicContact CG2-SD 4.44Å
306K89.6Confident90.4Very high166 Ų16674.1 Ų74.172%0.72236%0.356SS*.  trans-122.6124.5171.6-69.1-173.1177.6-172.50109.1R379K306-R379 PolarHBondContact O-NH2 3.48Å
307L92.2Very high90.5Very high5 Ų567.6 Ų67.63%0.02633%0.325CS..  trans-72.6141.1173.3-60.9179.3000110.1L288 M291 R292 L301 A372 I373 A376L288-L307 HydrophobicContact CD1-CB 3.97Å; M291-L307 HydrophobicContact CG-CD1 3.96Å; R292-L307 HydrophobicContact CG-CB 4.25Å; R292-L307 HydrophobicContact CG-CD1 4.42Å; R292-L307 PolarHBondContact NE-O 3.49Å; R292-L307 PolarHBondContact NH2-O 3.39Å; L301-L307 HydrophobicContact CD1-CD1 4.4Å; L301-L307 HydrophobicContact CD1-CD2 4.45Å; L301-L307 HydrophobicContact CD1-CG 4.06Å; L307-A372 HydrophobicContact CD2-CB 4.14Å; L307-I373 HydrophobicContact CD2-CG1 4.27Å; L307-A376 HydrophobicContact CD2-CB 3.97Å
308S91.4Very high90.6Very high25 Ų2559.9 Ų59.918%0.17530%0.295CS..  trans-121.9165.5170.667.20000109.6E310 D311 R379S308-E310 PolarHBondContact O-N 3.02Å; S308-D311 WeakPolarHBondContact CB-OD2 3.43Å; S308-D311 PolarHBondContact N-OD2 3.23Å; S308-D311 WeakPolarHBondContact O-CB 3.31Å; S308-D311 PolarHBondContact O-N 3.06Å; S308-D311 PolarHBondContact OG-OD1 2.94Å; S308-D311 PolarHBondContact OG-OD2 2.87Å; S308-R379 PolarHBondContact OG-NE 3.09Å; S308-R379 PolarHBondContact OG-NH2 2.73Å
309A90.5Very high90.7Very high19 Ų1955 Ų5516%0.15728%0.277CS..Hα-helixtrans-57.9-37.5-179.100000111.7R284 L288 D311 I312 W313R284-A309 HydrophobicContact CB-CB 4.36Å; L288-A309 HydrophobicContact CD2-CB 4.1Å; A309-D311 VanDerWaalsContact C-N 3.28Å; A309-D311 PolarHBondContact O-N 2.86Å; A309-I312 PolarHBondContact O-N 3.17Å; A309-W313 WeakPolarHBondContact O-CB 3.27Å; A309-W313 PolarHBondContact O-N 3.41Å
310E89.7Confident90.9Very high98 Ų9848.1 Ų48.146%0.45824%0.24SC..Hα-helixtrans-59.7-36.2176.2-65.6174.5-178.100112.8S308 I312 W313 D314S308-E310 PolarHBondContact O-N 3.02Å; E310-I312 VanDerWaalsContact C-N 3.31Å; E310-I312 PolarHBondContact O-N 2.8Å; E310-W313 PolarHBondContact O-N 3.32Å; E310-D314 PolarHBondContact O-N 3.19Å
311D92.5Very high91Very high5 Ų545.5 Ų45.53%0.02723%0.226CC..Hα-helixtrans-69.2-32.4-175.3-55.6-45.8000111.8S308 A309 S375 A376 R379S308-D311 WeakPolarHBondContact CB-OD2 3.43Å; S308-D311 PolarHBondContact N-OD2 3.23Å; S308-D311 WeakPolarHBondContact O-CB 3.31Å; S308-D311 PolarHBondContact O-N 3.06Å; S308-D311 PolarHBondContact OG-OD1 2.94Å; S308-D311 PolarHBondContact OG-OD2 2.87Å; A309-D311 VanDerWaalsContact C-N 3.28Å; A309-D311 PolarHBondContact O-N 2.86Å; D311-S375 WeakPolarHBondContact O-CB 3.31Å; D311-A376 HydrophobicContact CB-CB 4.13Å; D311-A376 VanDerWaalsContact OD1-CA 3.27Å; D311-A376 WeakPolarHBondContact OD1-CA 3.26Å; D311-A376 PolarHBondContact OD1-N 2.94Å; D311-A376 WeakPolarHBondContact OD2-CB 3.27Å; D311-R379 IonicContact OD1-CZ 3.37Å; D311-R379 IonicContact OD1-NE 3.82Å; D311-R379 PolarHBondContact OD1-NE 2.8Å; D311-R379 IonicContact OD1-NH2 3.74Å; D311-R379 IonicContact OD2-CZ 2.88Å; D311-R379 IonicContact OD2-NE 2.98Å; D311-R379 PolarHBondContact OD2-NE 2.66Å; D311-R379 IonicContact OD2-NH2 3.46Å; D311-R379 PolarHBondContact OD2-NH2 3.17Å
312I92.9Very high91.2Very high6 Ų642.9 Ų42.93%0.03121%0.213CC..Hα-helixtrans-89.3-30.7176.6-66.5161.2000110.8W255 L287 L288 M291 A309 E310 D314 A372W255-I312 HydrophobicContact CZ2-CG2 3.91Å; W255-I312 PolarHBondContact NE1-O 3.09Å; L287-I312 HydrophobicContact CB-CG2 4.17Å; L288-I312 HydrophobicContact CB-CD1 4.15Å; L288-I312 HydrophobicContact CD1-CD1 3.57Å; L288-I312 HydrophobicContact CG-CD1 4.47Å; M291-I312 HydrophobicContact CB-CD1 3.5Å; M291-I312 HydrophobicContact CB-CG1 4.38Å; M291-I312 HydrophobicContact CG-CD1 3.71Å; M291-I312 HydrophobicContact CG-CG1 4.15Å; A309-I312 PolarHBondContact O-N 3.17Å; E310-I312 VanDerWaalsContact C-N 3.31Å; E310-I312 PolarHBondContact O-N 2.8Å; I312-D314 VanDerWaalsContact C-N 3.26Å; I312-D314 PolarHBondContact O-N 2.97Å; I312-A372 HydrophobicContact CG1-CB 3.73Å
313W93.9Very high91.3Very high44 Ų4442.9 Ų42.917%0.16721%0.208CC..Hα-helixtrans-74.6-19178.8-154.1-109.1000113.1V280 L283 R284 L287 A309 E310 R315 C316 Y318V280-W313 HydrophobicContact CG1-CH2 4.24Å; V280-W313 HydrophobicContact CG1-CZ2 3.74Å; L283-W313 HydrophobicContact CB-CH2 4.33Å; L283-W313 HydrophobicContact CD2-CH2 3.66Å; L283-W313 HydrophobicContact CD2-CZ3 4.21Å; L283-W313 HydrophobicContact CG-CH2 3.78Å; L283-W313 HydrophobicContact CG-CZ3 3.92Å; R284-W313 HydrophobicContact CB-CE3 4.21Å; R284-W313 HydrophobicContact CB-CZ3 4.21Å; R284-W313 HydrophobicContact CG-CD2 3.43Å; R284-W313 VanDerWaalsContact CG-CD2 3.43Å; R284-W313 HydrophobicContact CG-CE3 3.35Å; R284-W313 HydrophobicContact CG-CG 4.13Å; R284-W313 HydrophobicContact CG-CH2 3.53Å; R284-W313 HydrophobicContact CG-CZ2 3.64Å; R284-W313 HydrophobicContact CG-CZ3 3.39Å; L287-W313 HydrophobicContact CD1-CE3 4.2Å; L287-W313 HydrophobicContact CD1-CZ3 3.81Å; A309-W313 WeakPolarHBondContact O-CB 3.27Å; A309-W313 PolarHBondContact O-N 3.41Å; E310-W313 PolarHBondContact O-N 3.32Å; W313-R315 PolarHBondContact O-N 3Å; W313-C316 HydrophobicContact CD2-CB 4.43Å; W313-C316 HydrophobicContact CE3-CB 4.44Å; W313-C316 VanDerWaalsContact O-CB 3.27Å; W313-C316 WeakPolarHBondContact O-CB 3.45Å; W313-C316 PolarHBondContact O-N 3.26Å; W313-C316 VanDerWaalsContact O-N 3.09Å; W313-Y318 AromaticContact CE2-CE1 3.93Å; W313-Y318 HydrophobicContact CH2-CD1 4.05Å; W313-Y318 HydrophobicContact CH2-CE1 4.07Å; W313-Y318 HydrophobicContact CH2-CG 4.33Å; W313-Y318 AromaticContact CZ2-CD1 3.68Å; W313-Y318 HydrophobicContact CZ2-CD1 3.68Å; W313-Y318 AromaticContact CZ2-CE1 3.3Å; W313-Y318 HydrophobicContact CZ2-CE1 3.3Å; W313-Y318 HydrophobicContact CZ2-CE2 4.35Å; W313-Y318 HydrophobicContact CZ2-CG 4.35Å; W313-Y318 AromaticContact CZ2-CZ 3.69Å
314D90.4Very high91.5Very high65 Ų6530.8 Ų30.835%0.34816%0.162SC..THydrogen-bonded Turntrans-54.4126175.4-170.430.9000110.4E310 I312 C316 R378E310-D314 PolarHBondContact O-N 3.19Å; I312-D314 VanDerWaalsContact C-N 3.26Å; I312-D314 PolarHBondContact O-N 2.97Å; D314-C316 PolarHBondContact O-N 3.26Å; D314-R378 IonicContact OD2-NH1 3.92Å
315R91.5Very high91.5Very high64 Ų6430 Ų3024%0.24214%0.142CC..THydrogen-bonded Turntrans59.121.2-178.6-52.8-63.1-59.9159.614.8115.6W255 L256 G259 G260 W313W255-R315 WeakPolarHBondContact CA-O 3.31Å; L256-R315 PolarHBondContact N-O 3.39Å; L256-R315 PolarHBondContact O-NE 2.98Å; L256-R315 VanDerWaalsContact O-NE 3.14Å; G259-R315 PolarHBondContact O-NH2 2.76Å; G260-R315 PolarHBondContact O-NH1 2.77Å; G260-R315 PolarHBondContact O-NH2 3.2Å; W313-R315 PolarHBondContact O-N 3Å
316C94.9Very high91.1Very high2 Ų234.6 Ų34.61%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-79.5117.6173.3-172.50000110.6W313 D314W313-C316 HydrophobicContact CD2-CB 4.43Å; W313-C316 HydrophobicContact CE3-CB 4.44Å; W313-C316 VanDerWaalsContact O-CB 3.27Å; W313-C316 WeakPolarHBondContact O-CB 3.45Å; W313-C316 PolarHBondContact O-N 3.26Å; W313-C316 VanDerWaalsContact O-N 3.09Å; D314-C316 PolarHBondContact O-N 3.26Å
317A94.7Very high90.9Very high0 Ų026.9 Ų26.90%013%0.133CC..EExtended strand (participates in β ladder)trans-94.7128.6166.300000108.4L223 V227 L253 L254 L262 L263L223-A317 HydrophobicContact CD1-CB 4.03Å; V227-A317 HydrophobicContact CG1-CB 4.47Å; L253-A317 CarbonylContact C-O 3.55Å; L253-A317 VanDerWaalsContact CA-O 3.28Å; L253-A317 WeakPolarHBondContact CA-O 3.25Å; L254-A317 HydrophobicContact CD1-CB 4.05Å; L254-A317 PolarHBondContact N-O 3.49Å; L254-A317 PolarHBondContact O-N 3Å; L254-A317 VanDerWaalsContact O-O 3.06Å; L262-A317 HydrophobicContact CD2-CB 4.13Å; L263-A317 CarbonylContact O-C 3.57Å; L263-A317 VanDerWaalsContact O-CA 3.29Å; L263-A317 WeakPolarHBondContact O-CA 3.35Å
318Y94.9Very high90.7Very high15 Ų1532.1 Ų32.16%0.05916%0.157CC..EExtended strand (participates in β ladder)trans-148.3152.9-173.774.2-86.4000112.4A252 L263 T264 E265 L283 W313 L320A252-Y318 CarbonylContact O-C 3.58Å; A252-Y318 VanDerWaalsContact O-CA 3.31Å; A252-Y318 WeakPolarHBondContact O-CA 3.22Å; L263-Y318 PolarHBondContact O-N 2.78Å; L263-Y318 VanDerWaalsContact O-O 3.13Å; T264-Y318 HydrophobicContact CG2-CD1 4.11Å; T264-Y318 HydrophobicContact CG2-CE1 3.76Å; E265-Y318 PolarHBondContact N-O 3.26Å; E265-Y318 WeakPolarHBondContact O-CD2 3.47Å; E265-Y318 VanDerWaalsContact O-CE2 3.27Å; E265-Y318 WeakPolarHBondContact O-CE2 3.41Å; L283-Y318 HydrophobicContact CD2-CD2 4.02Å; L283-Y318 HydrophobicContact CD2-CG 4.42Å; W313-Y318 AromaticContact CE2-CE1 3.93Å; W313-Y318 HydrophobicContact CH2-CD1 4.05Å; W313-Y318 HydrophobicContact CH2-CE1 4.07Å; W313-Y318 HydrophobicContact CH2-CG 4.33Å; W313-Y318 AromaticContact CZ2-CD1 3.68Å; W313-Y318 HydrophobicContact CZ2-CD1 3.68Å; W313-Y318 AromaticContact CZ2-CE1 3.3Å; W313-Y318 HydrophobicContact CZ2-CE1 3.3Å; W313-Y318 HydrophobicContact CZ2-CE2 4.35Å; W313-Y318 HydrophobicContact CZ2-CG 4.35Å; W313-Y318 AromaticContact CZ2-CZ 3.69Å; Y318-L320 HydrophobicContact CD2-CB 4.08Å; Y318-L320 HydrophobicContact CE2-CB 4.27Å
319V94Very high90.4Very high1 Ų132.1 Ų32.11%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-128.1121.1164.4-167.30000107.5L219 Y222 L223 W251 A252 L263 E265 Y267L219-V319 HydrophobicContact CD2-CB 4.2Å; L219-V319 HydrophobicContact CD2-CG1 3.53Å; Y222-V319 HydrophobicContact CD1-CG2 3.94Å; Y222-V319 HydrophobicContact CE1-CG2 4.27Å; L223-V319 HydrophobicContact CB-CG2 4.32Å; W251-V319 WeakPolarHBondContact CA-O 3.31Å; A252-V319 PolarHBondContact N-O 3.31Å; A252-V319 PolarHBondContact O-N 2.79Å; L263-V319 HydrophobicContact CD2-CG2 3.52Å; L263-V319 HydrophobicContact CG-CG2 4.24Å; E265-V319 HydrophobicContact CB-CG1 4.41Å; E265-V319 WeakPolarHBondContact O-CA 3.35Å; Y267-V319 HydrophobicContact CD2-CG1 4.34Å; Y267-V319 HydrophobicContact CE2-CG1 4.02Å
320L95Very high89.9Confident0 Ų033.7 Ų33.70%017%0.167CC..EExtended strand (participates in β ladder)trans-118.9124.9-179.1176.965.2000109.6V249 W251 E265 S266 Y267 H279 V280 L283 Y318 V322V249-L320 HydrophobicContact CG2-CD1 3.52Å; W251-L320 HydrophobicContact CB-CD1 4.09Å; E265-L320 PolarHBondContact O-N 2.96Å; S266-L320 CarbonylContact C-O 3.56Å; S266-L320 VanDerWaalsContact CA-O 3.26Å; S266-L320 WeakPolarHBondContact CA-O 3.35Å; Y267-L320 PolarHBondContact N-O 3.13Å; H279-L320 HydrophobicContact CB-CD2 4.15Å; V280-L320 HydrophobicContact CG2-CD2 4.17Å; L283-L320 HydrophobicContact CB-CD2 4.11Å; L283-L320 HydrophobicContact CD2-CB 4.12Å; L283-L320 HydrophobicContact CD2-CD1 4.21Å; L283-L320 HydrophobicContact CD2-CD2 3.95Å; L283-L320 HydrophobicContact CD2-CG 4.32Å; Y318-L320 HydrophobicContact CD2-CB 4.08Å; Y318-L320 HydrophobicContact CE2-CB 4.27Å; L320-V322 HydrophobicContact CD1-CG2 4.44Å; L320-V322 HydrophobicContact CG-CG2 4.4Å
321S93.6Very high89Confident3 Ų331.8 Ų31.82%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-122.1116.7175.2-179.60000109.7V249 D250V249-S321 CarbonylContact C-O 3.47Å; V249-S321 WeakPolarHBondContact CA-O 3.22Å; D250-S321 PolarHBondContact N-O 2.65Å; D250-S321 PolarHBondContact O-N 3.09Å
322V92.9Very high87.9Confident0 Ų033.9 Ų33.90%018%0.183CC..EExtended strand (participates in β ladder)trans-106.4138.6173.41740000109.3A248 V249 Y267 V268 N269 H279 L320 M324 V346A248-V322 CarbonylContact O-C 3.6Å; A248-V322 WeakPolarHBondContact O-CA 3.31Å; V249-V322 HydrophobicContact CB-CG2 4.3Å; V249-V322 HydrophobicContact CG2-CG2 3.89Å; Y267-V322 PolarHBondContact O-N 2.94Å; V268-V322 CarbonylContact C-O 3.52Å; V268-V322 VanDerWaalsContact CA-O 3.27Å; V268-V322 WeakPolarHBondContact CA-O 3.27Å; V268-V322 HydrophobicContact CG2-CB 4.41Å; N269-V322 PolarHBondContact N-O 3.16Å; H279-V322 HydrophobicContact CB-CG2 3.83Å; L320-V322 HydrophobicContact CD1-CG2 4.44Å; L320-V322 HydrophobicContact CG-CG2 4.4Å; V322-M324 HydrophobicContact CG1-CB 4.34Å; V322-M324 HydrophobicContact CG1-CG 4.46Å; V322-V346 HydrophobicContact CG2-CG2 3.99Å
323K89.5Confident86.8Confident49 Ų4936.3 Ų36.321%0.21320%0.198CC..EExtended strand (participates in β ladder)trans-113.5127.2165.8-60.9173.1-174.6165.30107.8F107 E247 A248 N269F107-K323 HydrophobicContact CB-CB 4.22Å; F107-K323 HydrophobicContact CD1-CB 3.76Å; F107-K323 HydrophobicContact CD2-CB 3.91Å; F107-K323 HydrophobicContact CD2-CD 4.06Å; F107-K323 HydrophobicContact CD2-CG 4.45Å; F107-K323 HydrophobicContact CE1-CB 4.02Å; F107-K323 HydrophobicContact CE2-CB 4.16Å; F107-K323 HydrophobicContact CE2-CD 4.43Å; F107-K323 HydrophobicContact CG-CB 3.69Å; F107-K323 HydrophobicContact CG-CG 4.44Å; F107-K323 HydrophobicContact CZ-CB 4.22Å; E247-K323 CarbonylContact C-O 3.58Å; E247-K323 WeakPolarHBondContact CA-O 3.12Å; A248-K323 HydrophobicContact CB-CB 4.23Å; A248-K323 PolarHBondContact N-O 3.49Å; A248-K323 PolarHBondContact O-N 3.32Å; N269-K323 VanDerWaalsContact OD1-CA 3.22Å; N269-K323 WeakPolarHBondContact OD1-CA 3.34Å
324M87.7Confident86.2Confident1 Ų134.7 Ų34.71%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-147.7153.7178.466.3-179.8-6200112.3E247 V268 N269 V322 P327 L337 Q341 C342E247-M324 HydrophobicContact CB-CB 4.46Å; E247-M324 HydrophobicContact CG-CB 3.86Å; V268-M324 HydrophobicContact CG1-CG 4.03Å; V268-M324 HydrophobicContact CG1-SD 4.24Å; N269-M324 PolarHBondContact ND2-O 3Å; N269-M324 PolarHBondContact OD1-N 2.85Å; N269-M324 PolarHBondContact OD1-O 3.01Å; V322-M324 HydrophobicContact CG1-CB 4.34Å; V322-M324 HydrophobicContact CG1-CG 4.46Å; M324-P327 HydrophobicContact CG-CB 3.73Å; M324-P327 HydrophobicContact CG-CG 4.07Å; M324-P327 WeakPolarHBondContact O-CD 3.4Å; M324-P327 HydrophobicContact SD-CB 3.83Å; M324-L337 HydrophobicContact SD-CD1 4.19Å; M324-L337 HydrophobicContact SD-CD2 4.2Å; M324-Q341 HydrophobicContact CE-CG 4.23Å; M324-C342 HydrophobicContact CE-CB 4.47Å; M324-C342 HydrophobicContact SD-CB 4.2Å
325Q82.2Confident85.9Confident47 Ų4734.1 Ų34.122%0.2219%0.187CC..SBendtrans-75136.9167.8-67.41771.900109.5N102 T246N102-Q325 PolarHBondContact ND2-NE2 2.56Å; N102-Q325 PolarHBondContact ND2-OE1 3.3Å; T246-Q325 PolarHBondContact O-N 3.17Å; T246-Q325 VanDerWaalsContact O-N 3.14Å
326D78.5Confident85.8Confident112 Ų11236.7 Ų36.760%0.59920%0.197SC*.SBendtrans50.653.4175.7-52.7-37000116Q328D326-Q328 PolarHBondContact O-N 3.04Å
327P86.6Confident85.6Confident3 Ų336.6 Ų36.62%0.01920%0.197CC..  trans-63138.5174.620.6-25.9000112.1L111 V268 N269 M324 F329 L337L111-P327 HydrophobicContact CD1-CB 4.37Å; L111-P327 HydrophobicContact CD1-CG 3.54Å; L111-P327 WeakPolarHBondContact CD1-O 3.38Å; L111-P327 HydrophobicContact CD2-CG 4.29Å; L111-P327 HydrophobicContact CG-CG 4.35Å; V268-P327 HydrophobicContact CG1-CB 3.82Å; V268-P327 HydrophobicContact CG1-CG 4.24Å; N269-P327 WeakPolarHBondContact ND2-CG 3.4Å; M324-P327 HydrophobicContact CG-CB 3.73Å; M324-P327 HydrophobicContact CG-CG 4.07Å; M324-P327 WeakPolarHBondContact O-CD 3.4Å; M324-P327 HydrophobicContact SD-CB 3.83Å; P327-F329 HydrophobicContact CB-CD2 4.45Å; P327-F329 HydrophobicContact CB-CE2 3.75Å; P327-F329 HydrophobicContact CB-CZ 4.06Å; P327-F329 HydrophobicContact CG-CE2 3.96Å; P327-F329 HydrophobicContact CG-CZ 4.4Å; P327-L337 HydrophobicContact CB-CD1 3.96Å
328Q86.5Confident85.5Confident116 Ų11639.4 Ų39.454%0.54222%0.216SC..  trans-108.6125.3175.9-63.7-65.7-28.400108.3D326 L337 S338 S339D326-Q328 PolarHBondContact O-N 3.04Å; Q328-L337 WeakPolarHBondContact O-CD1 3.34Å; Q328-S338 WeakPolarHBondContact CB-OG 3.43Å; Q328-S338 PolarHBondContact O-N 3.39Å; Q328-S338 PolarHBondContact O-OG 2.87Å; Q328-S339 PolarHBondContact N-OG 3.48Å; Q328-S339 PolarHBondContact O-N 2.85Å
329F85.7Confident85.1Confident25 Ų2539.2 Ų39.211%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-112.7154.6179.1-61.5-89.7000111.4L111 V268 I271 T273 P327 K334 R336 L337L111-F329 HydrophobicContact CD1-CE2 4.33Å; V268-F329 HydrophobicContact CB-CE1 3.94Å; V268-F329 HydrophobicContact CB-CZ 3.81Å; V268-F329 HydrophobicContact CG1-CE1 4.4Å; V268-F329 HydrophobicContact CG1-CZ 3.93Å; V268-F329 HydrophobicContact CG2-CE1 4.38Å; I271-F329 HydrophobicContact CB-CZ 4.42Å; I271-F329 HydrophobicContact CD1-CE2 3.95Å; I271-F329 HydrophobicContact CD1-CZ 3.86Å; T273-F329 HydrophobicContact CG2-CD1 4.3Å; T273-F329 HydrophobicContact CG2-CE1 3.77Å; P327-F329 HydrophobicContact CB-CD2 4.45Å; P327-F329 HydrophobicContact CB-CE2 3.75Å; P327-F329 HydrophobicContact CB-CZ 4.06Å; P327-F329 HydrophobicContact CG-CE2 3.96Å; P327-F329 HydrophobicContact CG-CZ 4.4Å; F329-K334 HydrophobicContact CB-CB 3.96Å; F329-K334 HydrophobicContact CB-CG 4.05Å; F329-K334 HydrophobicContact CD1-CB 3.74Å; F329-K334 HydrophobicContact CD1-CG 4.45Å; F329-K334 VanDerWaalsContact CD1-O 3.29Å; F329-K334 WeakPolarHBondContact CD1-O 3.36Å; F329-K334 HydrophobicContact CD2-CB 3.99Å; F329-K334 HydrophobicContact CD2-CD 4Å; F329-K334 HydrophobicContact CD2-CG 3.8Å; F329-K334 HydrophobicContact CE1-CB 4.17Å; F329-K334 HydrophobicContact CE2-CB 4.39Å; F329-K334 HydrophobicContact CE2-CD 4.07Å; F329-K334 HydrophobicContact CE2-CG 4.32Å; F329-K334 HydrophobicContact CG-CB 3.64Å; F329-K334 HydrophobicContact CG-CD 4.5Å; F329-K334 HydrophobicContact CG-CG 3.86Å; F329-K334 HydrophobicContact CZ-CB 4.47Å; F329-R336 CarbonylContact C-O 3.6Å; F329-R336 WeakPolarHBondContact CA-O 3.17Å; F329-L337 HydrophobicContact CD1-CD1 4.33Å; F329-L337 HydrophobicContact CE1-CD1 4.15Å; F329-L337 HydrophobicContact CZ-CD1 4.45Å
330A80.5Confident84.6Confident52 Ų5244.3 Ų44.343%0.4324%0.236SC..EExtended strand (participates in β ladder)trans-78.1119.3165.600000109.3R336A330-R336 HydrophobicContact CB-CB 4.21Å; A330-R336 PolarHBondContact N-O 3.01Å
331G70.2Confident84.3Confident57 Ų5748.6 Ų48.659%0.58826%0.256SS*.THydrogen-bonded Turntrans72.4169.5179.700000114.5K334G331-K334 PolarHBondContact O-N 3.14Å
332Q69.5Low84.1Confident49 Ų4948.5 Ų48.523%0.22926%0.255CS..THydrogen-bonded Turntrans-75.5-25.3-179.117961.416.900113.1H112 K334H112-Q332 PolarHBondContact CE1-OE1 2.71Å; H112-Q332 PolarHBondContact ND1-OE1 3.09Å; H112-Q332 VanDerWaalsContact ND1-OE1 3.12Å; Q332-K334 WeakPolarHBondContact O-CG 3.49Å; Q332-K334 PolarHBondContact O-N 3.09Å
333T69.5Low84Confident57 Ų5749.8 Ų49.835%0.3527%0.266SS..THydrogen-bonded Turntrans-73.2-5.1176.556.10000113.3E335T333-E335 PolarHBondContact O-N 3.18Å; T333-E335 WeakPolarHBondContact OG1-CG 3.26Å; T333-E335 PolarHBondContact OG1-OE1 3.3Å
334K81.6Confident84Confident10 Ų1051 Ų514%0.04329%0.285CS..THydrogen-bonded Turntrans56.929.5173.5-56.8177.1-161.3159.70114.9G109 I271 F329 G331 Q332 R336G109-K334 PolarHBondContact O-NZ 3.2Å; I271-K334 HydrophobicContact CD1-CD 3.39Å; I271-K334 HydrophobicContact CG1-CD 4.38Å; I271-K334 HydrophobicContact CG2-CB 3.74Å; I271-K334 HydrophobicContact CG2-CD 4.16Å; F329-K334 HydrophobicContact CB-CB 3.96Å; F329-K334 HydrophobicContact CB-CG 4.05Å; F329-K334 HydrophobicContact CD1-CB 3.74Å; F329-K334 HydrophobicContact CD1-CG 4.45Å; F329-K334 VanDerWaalsContact CD1-O 3.29Å; F329-K334 WeakPolarHBondContact CD1-O 3.36Å; F329-K334 HydrophobicContact CD2-CB 3.99Å; F329-K334 HydrophobicContact CD2-CD 4Å; F329-K334 HydrophobicContact CD2-CG 3.8Å; F329-K334 HydrophobicContact CE1-CB 4.17Å; F329-K334 HydrophobicContact CE2-CB 4.39Å; F329-K334 HydrophobicContact CE2-CD 4.07Å; F329-K334 HydrophobicContact CE2-CG 4.32Å; F329-K334 HydrophobicContact CG-CB 3.64Å; F329-K334 HydrophobicContact CG-CD 4.5Å; F329-K334 HydrophobicContact CG-CG 3.86Å; F329-K334 HydrophobicContact CZ-CB 4.47Å; G331-K334 PolarHBondContact O-N 3.14Å; Q332-K334 WeakPolarHBondContact O-CG 3.49Å; Q332-K334 PolarHBondContact O-N 3.09Å; K334-R336 VanDerWaalsContact C-N 3.3Å; K334-R336 PolarHBondContact O-N 3.15Å
335E84Confident84.2Confident53 Ų5352.9 Ų52.925%0.24829%0.294CS..  trans-70.8-22.1-172.4-68.8173.1-159.800114.6T273 M274 Q275 T333T273-E335 CarbonylContact C-O 3.48Å; T273-E335 VanDerWaalsContact CA-O 3.27Å; T273-E335 WeakPolarHBondContact CA-O 3.22Å; M274-E335 HydrophobicContact CE-CG 3.99Å; M274-E335 PolarHBondContact N-O 3.13Å; Q275-E335 HydrophobicContact CG-CB 4.15Å; Q275-E335 PolarHBondContact N-O 2.89Å; Q275-E335 PolarHBondContact NE2-OE2 3.3Å; T333-E335 PolarHBondContact O-N 3.18Å; T333-E335 WeakPolarHBondContact OG1-CG 3.26Å; T333-E335 PolarHBondContact OG1-OE1 3.3Å
336R89Confident84.7Confident118 Ų11850.7 Ų50.745%0.44528%0.283SS..EExtended strand (participates in β ladder)trans-138.2128.8-178.1-170.2176.5172.2157.3-1.5112.4Q275 G276 F329 A330 K334Q275-R336 HydrophobicContact CB-CB 4.08Å; Q275-R336 HydrophobicContact CB-CG 4.48Å; G276-R336 VanDerWaalsContact O-CA 3.26Å; G276-R336 WeakPolarHBondContact O-CA 3.27Å; F329-R336 CarbonylContact C-O 3.6Å; F329-R336 WeakPolarHBondContact CA-O 3.17Å; A330-R336 HydrophobicContact CB-CB 4.21Å; A330-R336 PolarHBondContact N-O 3.01Å; K334-R336 VanDerWaalsContact C-N 3.3Å; K334-R336 PolarHBondContact O-N 3.15Å
337L92.4Very high85.5Confident1 Ų146.2 Ų46.21%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-75.6130.8172.9-171.571.1000111.1V268 G276 G277 T278 H279 M324 P327 Q328 F329 C342V268-L337 HydrophobicContact CG1-CD1 4.08Å; V268-L337 HydrophobicContact CG2-CB 4.27Å; V268-L337 HydrophobicContact CG2-CD1 4.15Å; V268-L337 HydrophobicContact CG2-CD2 3.92Å; V268-L337 HydrophobicContact CG2-CG 4.34Å; G276-L337 PolarHBondContact O-N 3.27Å; G276-L337 VanDerWaalsContact O-N 3.15Å; G277-L337 VanDerWaalsContact CA-O 3.31Å; G277-L337 WeakPolarHBondContact CA-O 3.42Å; T278-L337 PolarHBondContact N-O 3.39Å; T278-L337 VanDerWaalsContact N-O 3.13Å; T278-L337 VanDerWaalsContact OG1-CD2 3.29Å; T278-L337 WeakPolarHBondContact OG1-CD2 3.3Å; T278-L337 WeakPolarHBondContact OG1-CG 3.39Å; H279-L337 HydrophobicContact CB-CD2 3.9Å; H279-L337 VanDerWaalsContact CE1-CB 3.49Å; H279-L337 WeakPolarHBondContact CE1-CB 3.26Å; H279-L337 WeakPolarHBondContact ND1-CB 3.16Å; M324-L337 HydrophobicContact SD-CD1 4.19Å; M324-L337 HydrophobicContact SD-CD2 4.2Å; P327-L337 HydrophobicContact CB-CD1 3.96Å; Q328-L337 WeakPolarHBondContact O-CD1 3.34Å; F329-L337 HydrophobicContact CD1-CD1 4.33Å; F329-L337 HydrophobicContact CE1-CD1 4.15Å; F329-L337 HydrophobicContact CZ-CD1 4.45Å; L337-C342 HydrophobicContact CD2-CB 3.91Å
338S91.2Very high85.8Confident59 Ų5947.7 Ų47.741%0.41328%0.277SS..  trans-108.6-10.8176.966.20000113.9Q328 R340Q328-S338 WeakPolarHBondContact CB-OG 3.43Å; Q328-S338 PolarHBondContact O-N 3.39Å; Q328-S338 PolarHBondContact O-OG 2.87Å; S338-R340 PolarHBondContact O-N 3.44Å; S338-R340 VanDerWaalsContact O-N 3.09Å
339S87.6Confident86.1Confident11 Ų1143.1 Ų43.18%0.07726%0.257CS..  trans-60.7107.5178.6-64.20000113T278 Q328 Q341 C342T278-S339 VanDerWaalsContact CB-O 3.22Å; T278-S339 WeakPolarHBondContact CB-O 3.31Å; T278-S339 PolarHBondContact OG1-O 3.05Å; Q328-S339 PolarHBondContact N-OG 3.48Å; Q328-S339 PolarHBondContact O-N 2.85Å; S339-Q341 PolarHBondContact O-N 3.29Å; S339-C342 PolarHBondContact O-N 2.86Å
340R83.9Confident86.6Confident108 Ų10842 Ų4241%0.40825%0.252SS..Hα-helixtrans-64-39-175.2-73.9178.2163.7-179.4-12114.6S338 C342 A343 T583S338-R340 PolarHBondContact O-N 3.44Å; S338-R340 VanDerWaalsContact O-N 3.09Å; R340-C342 PolarHBondContact O-N 2.74Å; R340-A343 WeakPolarHBondContact O-CB 3.43Å; R340-A343 PolarHBondContact O-N 2.86Å; R340-A343 VanDerWaalsContact O-N 3.12Å; R340-T583 PolarHBondContact NH2-O 2.81Å
341Q86.9Confident87.3Confident90 Ų9042.3 Ų42.342%0.42124%0.244SC..Hα-helixtrans-56-34-178.764-164.643.400112.9E247 M324 S339 A343 A344 F345E247-Q341 WeakPolarHBondContact OE1-CG 3.29Å; E247-Q341 PolarHBondContact OE1-NE2 3.04Å; M324-Q341 HydrophobicContact CE-CG 4.23Å; S339-Q341 PolarHBondContact O-N 3.29Å; Q341-A343 VanDerWaalsContact C-N 3.31Å; Q341-A343 PolarHBondContact O-N 3.43Å; Q341-A344 PolarHBondContact O-N 2.84Å; Q341-F345 PolarHBondContact O-N 2.77Å; Q341-F345 VanDerWaalsContact O-N 3.16Å
342C89.4Confident88.5Confident0 Ų044.9 Ų44.90%024%0.244CC..Hα-helixtrans-64.5-34.8-179-171.90000112.3M324 L337 S339 R340 A344 F345 V346M324-C342 HydrophobicContact CE-CB 4.47Å; M324-C342 HydrophobicContact SD-CB 4.2Å; L337-C342 HydrophobicContact CD2-CB 3.91Å; S339-C342 PolarHBondContact O-N 2.86Å; R340-C342 PolarHBondContact O-N 2.74Å; C342-A344 VanDerWaalsContact C-N 3.35Å; C342-A344 PolarHBondContact O-N 3.07Å; C342-F345 PolarHBondContact O-N 2.79Å; C342-V346 WeakPolarHBondContact O-CB 3.27Å; C342-V346 VanDerWaalsContact O-CG2 3.31Å; C342-V346 WeakPolarHBondContact O-CG2 3.23Å; C342-V346 PolarHBondContact O-N 2.96Å
343A90.7Very high89.7Confident28 Ų2844 Ų4423%0.23125%0.245CC..Hα-helixtrans-61.1-44.3177.400000111.8T278 G282 R340 Q341 S347T278-A343 WeakPolarHBondContact O-CA 3.49Å; T278-A343 VanDerWaalsContact O-CB 3.25Å; T278-A343 WeakPolarHBondContact O-CB 3.49Å; G282-A343 VanDerWaalsContact CA-O 3.31Å; G282-A343 WeakPolarHBondContact CA-O 3.46Å; R340-A343 WeakPolarHBondContact O-CB 3.43Å; R340-A343 PolarHBondContact O-N 2.86Å; R340-A343 VanDerWaalsContact O-N 3.12Å; Q341-A343 VanDerWaalsContact C-N 3.31Å; Q341-A343 PolarHBondContact O-N 3.43Å; A343-S347 WeakPolarHBondContact O-CB 3.2Å; A343-S347 PolarHBondContact O-N 3.2Å
344A90.3Very high91.1Very high74 Ų7441.3 Ų41.361%0.61223%0.228SC*.Hα-helixtrans-67.7-43.1179.800000111.8Q341 C342 G348Q341-A344 PolarHBondContact O-N 2.84Å; C342-A344 VanDerWaalsContact C-N 3.35Å; C342-A344 PolarHBondContact O-N 3.07Å; A344-G348 PolarHBondContact O-N 3.45Å
345F91.6Very high91.7Very high41 Ų4142 Ų4218%0.1823%0.232CC..Hα-helixtrans-60.2-55176.7171.9-109000112F242 E247 V249 Q341 C342 S347 G348 V349F242-F345 AromaticContact CD1-CE2 3.71Å; F242-F345 HydrophobicContact CD1-CE2 3.71Å; F242-F345 AromaticContact CD1-CZ 3.72Å; F242-F345 HydrophobicContact CD1-CZ 3.72Å; F242-F345 AromaticContact CE1-CE2 3.84Å; F242-F345 HydrophobicContact CE1-CE2 3.84Å; F242-F345 HydrophobicContact CE1-CZ 4.29Å; E247-F345 HydrophobicContact CB-CD1 3.97Å; E247-F345 HydrophobicContact CB-CE1 3.75Å; E247-F345 HydrophobicContact CB-CE2 4.4Å; E247-F345 HydrophobicContact CB-CG 4.38Å; E247-F345 HydrophobicContact CB-CZ 3.97Å; E247-F345 WeakPolarHBondContact O-CZ 3.31Å; E247-F345 VanDerWaalsContact OE2-CB 3.25Å; E247-F345 WeakPolarHBondContact OE2-CB 3.4Å; E247-F345 WeakPolarHBondContact OE2-CD1 3.46Å; E247-F345 VanDerWaalsContact OE2-CG 3.29Å; E247-F345 WeakPolarHBondContact OE2-CG 3.31Å; V249-F345 HydrophobicContact CB-CE1 4.04Å; V249-F345 HydrophobicContact CG1-CD1 4.48Å; V249-F345 HydrophobicContact CG1-CE1 3.69Å; V249-F345 HydrophobicContact CG1-CZ 4.18Å; Q341-F345 PolarHBondContact O-N 2.77Å; Q341-F345 VanDerWaalsContact O-N 3.16Å; C342-F345 PolarHBondContact O-N 2.79Å; F345-S347 PolarHBondContact O-N 2.97Å; F345-G348 PolarHBondContact O-N 3.04Å; F345-V349 HydrophobicContact CD2-CG2 4.18Å; F345-V349 HydrophobicContact CE2-CG2 3.92Å; F345-V349 HydrophobicContact CZ-CG2 4.26Å; F345-V349 WeakPolarHBondContact O-CG2 3.42Å; F345-V349 PolarHBondContact O-N 3.41Å; F345-V349 VanDerWaalsContact O-N 3.08Å
346V93.8Very high92.2Very high0 Ų044.2 Ų44.20%025%0.245CC..Hα-helixtrans-63-43.2-179177.80000110.8V249 H279 L283 V322 C342 G348 V350V249-V346 HydrophobicContact CB-CG2 4.49Å; V249-V346 HydrophobicContact CG2-CG2 4.2Å; H279-V346 HydrophobicContact CB-CG2 4.46Å; L283-V346 HydrophobicContact CB-CG1 4Å; V322-V346 HydrophobicContact CG2-CG2 3.99Å; C342-V346 WeakPolarHBondContact O-CB 3.27Å; C342-V346 VanDerWaalsContact O-CG2 3.31Å; C342-V346 WeakPolarHBondContact O-CG2 3.23Å; C342-V346 PolarHBondContact O-N 2.96Å; V346-G348 PolarHBondContact O-N 3.32Å; V346-V350 HydrophobicContact CG1-CG2 3.95Å; V346-V350 VanDerWaalsContact O-CB 3.27Å; V346-V350 WeakPolarHBondContact O-CB 3.38Å; V346-V350 WeakPolarHBondContact O-CG2 3.44Å; V346-V350 PolarHBondContact O-N 3.42Å
347S94.3Very high92.6Very high19 Ų1940.1 Ų40.113%0.13323%0.23CC..Hα-helixtrans-59.8-43.6178.5-1750000112.4G282 G286 A343 F345 K351G282-S347 WeakPolarHBondContact O-CA 2.93Å; G282-S347 WeakPolarHBondContact O-CB 3.45Å; G286-S347 WeakPolarHBondContact CA-O 3.24Å; G286-S347 PolarHBondContact N-OG 2.96Å; A343-S347 WeakPolarHBondContact O-CB 3.2Å; A343-S347 PolarHBondContact O-N 3.2Å; F345-S347 PolarHBondContact O-N 2.97Å; S347-K351 WeakPolarHBondContact O-CB 3.31Å; S347-K351 PolarHBondContact O-N 3.18Å
348G92.4Very high92.8Very high34 Ų3440.1 Ų40.135%0.35123%0.23SC..Hα-helixtrans-65.9-52.1179.700000112.3A344 F345 V346 V350 K351 D352A344-G348 PolarHBondContact O-N 3.45Å; F345-G348 PolarHBondContact O-N 3.04Å; V346-G348 PolarHBondContact O-N 3.32Å; G348-V350 PolarHBondContact O-N 3.36Å; G348-K351 PolarHBondContact O-N 3.02Å; G348-D352 PolarHBondContact O-N 3.35Å; G348-D352 VanDerWaalsContact O-N 3.13Å
349V93.9Very high92.9Very high20 Ų2040.8 Ų40.812%0.12123%0.229CC..Hα-helixtrans-59.9-48.1-179169.20000111.6F242 V249 W251 F345 D352 A353F242-V349 HydrophobicContact CB-CB 4.45Å; F242-V349 HydrophobicContact CB-CG1 3.39Å; F242-V349 HydrophobicContact CB-CG2 4.17Å; F242-V349 HydrophobicContact CD1-CG1 4.47Å; F242-V349 HydrophobicContact CD1-CG2 3.67Å; F242-V349 HydrophobicContact CD2-CG1 4.39Å; F242-V349 HydrophobicContact CD2-CG2 4.42Å; F242-V349 HydrophobicContact CE1-CG2 4.14Å; F242-V349 HydrophobicContact CG-CG1 3.86Å; F242-V349 HydrophobicContact CG-CG2 3.82Å; V249-V349 HydrophobicContact CG1-CG1 4.08Å; W251-V349 HydrophobicContact CH2-CG1 3.56Å; W251-V349 HydrophobicContact CZ3-CG1 3.63Å; F345-V349 HydrophobicContact CD2-CG2 4.18Å; F345-V349 HydrophobicContact CE2-CG2 3.92Å; F345-V349 HydrophobicContact CZ-CG2 4.26Å; F345-V349 WeakPolarHBondContact O-CG2 3.42Å; F345-V349 PolarHBondContact O-N 3.41Å; F345-V349 VanDerWaalsContact O-N 3.08Å; V349-D352 PolarHBondContact O-N 3.28Å; V349-A353 WeakPolarHBondContact O-CB 3.41Å; V349-A353 PolarHBondContact O-N 3.08Å; V349-A353 VanDerWaalsContact O-N 3.1Å
350V95.9Very high93.3Very high0 Ų046.6 Ų46.60%026%0.255CS..Hα-helixtrans-65.9-41.6-179.6170.10000110.6W251 L283 L287 V346 G348 D352 A353 F354W251-V350 HydrophobicContact CD2-CG2 4.28Å; W251-V350 HydrophobicContact CE3-CG2 4.43Å; L283-V350 HydrophobicContact CD1-CB 4.35Å; L283-V350 HydrophobicContact CD1-CG1 3.82Å; L283-V350 HydrophobicContact CD1-CG2 3.7Å; L287-V350 HydrophobicContact CD2-CG1 3.78Å; L287-V350 HydrophobicContact CG-CG1 4.02Å; V346-V350 HydrophobicContact CG1-CG2 3.95Å; V346-V350 VanDerWaalsContact O-CB 3.27Å; V346-V350 WeakPolarHBondContact O-CB 3.38Å; V346-V350 WeakPolarHBondContact O-CG2 3.44Å; V346-V350 PolarHBondContact O-N 3.42Å; G348-V350 PolarHBondContact O-N 3.36Å; V350-D352 VanDerWaalsContact C-N 3.35Å; V350-D352 PolarHBondContact O-N 3.13Å; V350-A353 PolarHBondContact O-N 3.2Å; V350-F354 WeakPolarHBondContact O-CB 3.2Å; V350-F354 PolarHBondContact O-N 2.76Å
351K96.1Very high93.8Very high60 Ų6044.6 Ų44.626%0.26125%0.252SS..Hα-helixtrans-55.6-52.5178.3-176.9-166.5172.9-169.70110.4D289 A290 E293 S347 G348 A353 F354 I355D289-K351 HydrophobicContact CB-CD 4.08Å; D289-K351 HydrophobicContact CB-CG 4.33Å; A290-K351 HydrophobicContact CB-CG 4.1Å; E293-K351 WeakPolarHBondContact OE2-CE 3.39Å; E293-K351 IonicContact OE2-NZ 2.63Å; E293-K351 PolarHBondContact OE2-NZ 2.83Å; S347-K351 WeakPolarHBondContact O-CB 3.31Å; S347-K351 PolarHBondContact O-N 3.18Å; G348-K351 PolarHBondContact O-N 3.02Å; K351-A353 PolarHBondContact O-N 2.53Å; K351-F354 PolarHBondContact O-N 2.97Å; K351-I355 WeakPolarHBondContact O-CB 3.39Å; K351-I355 VanDerWaalsContact O-CG2 3.27Å; K351-I355 WeakPolarHBondContact O-CG2 3.27Å; K351-I355 PolarHBondContact O-N 3.44Å
352D94.3Very high94.1Very high110 Ų11042.4 Ų42.459%0.58825%0.245SC*.Hα-helixtrans-64.6-40.3-176.2-71.4-11000112.2G348 V349 V350 I355 L356G348-D352 PolarHBondContact O-N 3.35Å; G348-D352 VanDerWaalsContact O-N 3.13Å; V349-D352 PolarHBondContact O-N 3.28Å; V350-D352 VanDerWaalsContact C-N 3.35Å; V350-D352 PolarHBondContact O-N 3.13Å; D352-I355 VanDerWaalsContact O-CG2 3.31Å; D352-I355 WeakPolarHBondContact O-CG2 3.42Å; D352-L356 PolarHBondContact O-N 2.83Å
353A95.8Very high94.3Very high31 Ų3150.2 Ų50.226%0.25628%0.281SS..Hα-helixtrans-70.3-42.4177.300000112.3F238 W251 V349 V350 K351 L356 W357F238-A353 HydrophobicContact CZ-CB 3.96Å; W251-A353 HydrophobicContact CH2-CB 4.09Å; W251-A353 HydrophobicContact CZ2-CB 3.61Å; V349-A353 WeakPolarHBondContact O-CB 3.41Å; V349-A353 PolarHBondContact O-N 3.08Å; V349-A353 VanDerWaalsContact O-N 3.1Å; V350-A353 PolarHBondContact O-N 3.2Å; K351-A353 PolarHBondContact O-N 2.53Å; A353-L356 PolarHBondContact O-N 3.47Å; A353-W357 WeakPolarHBondContact O-CB 3.48Å; A353-W357 PolarHBondContact O-N 3.04Å
354F97.1Very high94.5Very high0 Ų049.9 Ų49.90%028%0.278CS..Hα-helixtrans-73.8-38.5-176-166.8-127.2000111.8F238 W255 L287 A290 M291 V350 K351 L356 W357 L358 L368F238-F354 AromaticContact CD1-CD2 3.61Å; F238-F354 HydrophobicContact CD1-CD2 3.61Å; F238-F354 HydrophobicContact CD1-CE2 4.11Å; F238-F354 HydrophobicContact CD2-CD2 4.39Å; F238-F354 HydrophobicContact CE1-CB 3.89Å; F238-F354 AromaticContact CE1-CD2 3.52Å; F238-F354 HydrophobicContact CE1-CD2 3.52Å; F238-F354 HydrophobicContact CE1-CE2 4.45Å; F238-F354 HydrophobicContact CE1-CG 4.1Å; F238-F354 HydrophobicContact CE2-CD2 4.34Å; F238-F354 HydrophobicContact CG-CD2 4.06Å; F238-F354 HydrophobicContact CG-CE2 4.36Å; F238-F354 HydrophobicContact CZ-CB 3.97Å; F238-F354 AromaticContact CZ-CD2 3.91Å; F238-F354 HydrophobicContact CZ-CD2 3.91Å; F238-F354 HydrophobicContact CZ-CG 4.44Å; W255-F354 HydrophobicContact CH2-CE2 4.22Å; W255-F354 AromaticContact CH2-CZ 3.74Å; W255-F354 HydrophobicContact CH2-CZ 3.74Å; W255-F354 HydrophobicContact CZ3-CE2 4.37Å; W255-F354 HydrophobicContact CZ3-CZ 4.17Å; L287-F354 HydrophobicContact CB-CD1 4.5Å; L287-F354 HydrophobicContact CD2-CB 4.18Å; L287-F354 HydrophobicContact CD2-CD1 3.48Å; L287-F354 VanDerWaalsContact CD2-CD1 3.48Å; L287-F354 HydrophobicContact CD2-CD2 4.02Å; L287-F354 HydrophobicContact CD2-CE1 3.72Å; L287-F354 HydrophobicContact CD2-CE2 4.24Å; L287-F354 HydrophobicContact CD2-CG 3.64Å; L287-F354 HydrophobicContact CD2-CZ 4.1Å; A290-F354 HydrophobicContact CB-CB 4.16Å; A290-F354 HydrophobicContact CB-CD1 3.82Å; A290-F354 HydrophobicContact CB-CG 4.45Å; M291-F354 HydrophobicContact CE-CE1 4.14Å; M291-F354 HydrophobicContact CE-CZ 4.35Å; V350-F354 WeakPolarHBondContact O-CB 3.2Å; V350-F354 PolarHBondContact O-N 2.76Å; K351-F354 PolarHBondContact O-N 2.97Å; F354-L356 VanDerWaalsContact C-N 3.29Å; F354-L356 PolarHBondContact O-N 2.96Å; F354-W357 AromaticContact CD2-CE3 3.98Å; F354-W357 HydrophobicContact CD2-CE3 3.98Å; F354-W357 HydrophobicContact CE2-CD2 4.46Å; F354-W357 AromaticContact CE2-CE3 3.6Å; F354-W357 HydrophobicContact CE2-CE3 3.6Å; F354-W357 AromaticContact CE2-CZ3 3.9Å; F354-W357 HydrophobicContact CE2-CZ3 3.9Å; F354-W357 HydrophobicContact CZ-CE3 4.45Å; F354-W357 HydrophobicContact CZ-CZ3 4.47Å; F354-W357 PolarHBondContact O-N 3.47Å; F354-W357 VanDerWaalsContact O-N 3.17Å; F354-L358 HydrophobicContact CD1-CD1 3.81Å; F354-L358 HydrophobicContact CD1-CG 4.2Å; F354-L358 HydrophobicContact CD2-CG 4.5Å; F354-L358 HydrophobicContact CE1-CD1 3.79Å; F354-L358 HydrophobicContact CE1-CD2 4.05Å; F354-L358 HydrophobicContact CE1-CG 4.07Å; F354-L358 HydrophobicContact CE2-CD2 4.25Å; F354-L358 HydrophobicContact CE2-CG 4.38Å; F354-L358 HydrophobicContact CG-CD1 4.41Å; F354-L358 HydrophobicContact CG-CG 4.41Å; F354-L358 HydrophobicContact CZ-CD1 4.37Å; F354-L358 HydrophobicContact CZ-CD2 3.82Å; F354-L358 HydrophobicContact CZ-CG 4.17Å; F354-L358 WeakPolarHBondContact O-CB 3.06Å; F354-L358 VanDerWaalsContact O-CG 3.25Å; F354-L358 WeakPolarHBondContact O-CG 3.35Å; F354-L358 PolarHBondContact O-N 3.13Å; F354-L368 HydrophobicContact CZ-CD1 4.49Å
355I95.1Very high94.7Very high24 Ų2446.4 Ų46.412%0.12325%0.249CC..Hα-helixtrans-61.9-38.8174.7-168.362.3000111.5A290 E293 F294 K351 D352 N359A290-I355 HydrophobicContact CB-CB 4.09Å; A290-I355 WeakPolarHBondContact O-CD1 3.46Å; E293-I355 HydrophobicContact CB-CD1 4.11Å; E293-I355 HydrophobicContact CG-CD1 4.23Å; F294-I355 HydrophobicContact CB-CD1 4.1Å; K351-I355 WeakPolarHBondContact O-CB 3.39Å; K351-I355 VanDerWaalsContact O-CG2 3.27Å; K351-I355 WeakPolarHBondContact O-CG2 3.27Å; K351-I355 PolarHBondContact O-N 3.44Å; D352-I355 VanDerWaalsContact O-CG2 3.31Å; D352-I355 WeakPolarHBondContact O-CG2 3.42Å; I355-N359 PolarHBondContact O-N 3.48Å; I355-N359 PolarHBondContact O-ND2 3.22Å
356L95.2Very high94.9Very high100 Ų10047.6 Ų47.652%0.52426%0.256SS..Hα-helixtrans-63.1-46.6173.9-179.363.7000110.8D352 A353 F354 L358 N359 Q360D352-L356 PolarHBondContact O-N 2.83Å; A353-L356 PolarHBondContact O-N 3.47Å; F354-L356 VanDerWaalsContact C-N 3.29Å; F354-L356 PolarHBondContact O-N 2.96Å; L356-L358 PolarHBondContact O-N 3.33Å; L356-N359 PolarHBondContact O-N 2.86Å; L356-Q360 WeakPolarHBondContact O-CG 3.49Å; L356-Q360 PolarHBondContact O-N 3.31Å
357W96.7Very high94.9Very high33 Ų3351.9 Ų51.913%0.12528%0.278CS..Hα-helixtrans-61.6-43.5178.7-17889.9000112.7P234 F238 A353 F354 N359 Q360 N361 A364 L368P234-W357 HydrophobicContact CB-CH2 3.84Å; P234-W357 HydrophobicContact CB-CZ2 3.59Å; P234-W357 HydrophobicContact CG-CH2 3.77Å; P234-W357 HydrophobicContact CG-CZ2 3.54Å; F238-W357 HydrophobicContact CD2-CB 3.87Å; F238-W357 AromaticContact CD2-CD1 3.49Å; F238-W357 VanDerWaalsContact CD2-CD1 3.49Å; F238-W357 AromaticContact CD2-CD2 3.97Å; F238-W357 HydrophobicContact CD2-CD2 3.97Å; F238-W357 AromaticContact CD2-CG 3.48Å; F238-W357 HydrophobicContact CD2-CG 3.48Å; F238-W357 VanDerWaalsContact CD2-CG 3.48Å; F238-W357 AromaticContact CD2-NE1 3.95Å; F238-W357 HydrophobicContact CE2-CB 3.54Å; F238-W357 AromaticContact CE2-CD1 3.92Å; F238-W357 AromaticContact CE2-CG 3.71Å; F238-W357 HydrophobicContact CE2-CG 3.71Å; F238-W357 HydrophobicContact CG-CG 4.43Å; F238-W357 HydrophobicContact CZ-CB 4.37Å; A353-W357 WeakPolarHBondContact O-CB 3.48Å; A353-W357 PolarHBondContact O-N 3.04Å; F354-W357 AromaticContact CD2-CE3 3.98Å; F354-W357 HydrophobicContact CD2-CE3 3.98Å; F354-W357 HydrophobicContact CE2-CD2 4.46Å; F354-W357 AromaticContact CE2-CE3 3.6Å; F354-W357 HydrophobicContact CE2-CE3 3.6Å; F354-W357 AromaticContact CE2-CZ3 3.9Å; F354-W357 HydrophobicContact CE2-CZ3 3.9Å; F354-W357 HydrophobicContact CZ-CE3 4.45Å; F354-W357 HydrophobicContact CZ-CZ3 4.47Å; F354-W357 PolarHBondContact O-N 3.47Å; F354-W357 VanDerWaalsContact O-N 3.17Å; W357-N359 VanDerWaalsContact C-N 3.32Å; W357-N359 PolarHBondContact O-N 3.05Å; W357-Q360 PolarHBondContact O-N 2.88Å; W357-Q360 VanDerWaalsContact O-N 3.17Å; W357-N361 VanDerWaalsContact CD1-ND2 3.27Å; W357-N361 HydrophobicContact CD2-CB 4.32Å; W357-N361 HydrophobicContact CH2-CB 4.24Å; W357-N361 HydrophobicContact CZ2-CB 3.9Å; W357-N361 PolarHBondContact NE1-ND2 2.95Å; W357-N361 WeakPolarHBondContact O-CB 3.28Å; W357-N361 PolarHBondContact O-N 3.15Å; W357-N361 PolarHBondContact O-ND2 3.43Å; W357-A364 HydrophobicContact CH2-CB 3.98Å; W357-L368 HydrophobicContact CH2-CD1 3.88Å; W357-L368 HydrophobicContact CZ3-CD1 3.7Å
358L96.4Very high94.9Very high0 Ų051.2 Ų51.20%027%0.273CS..Hα-helixtrans-59.7-42.3177.8-71169.9000111.4A290 M291 F294 F354 L356 Q360 N361 A365A290-L358 HydrophobicContact CB-CD1 4.42Å; M291-L358 HydrophobicContact CE-CD1 4.38Å; M291-L358 HydrophobicContact CE-CD2 3.88Å; F294-L358 HydrophobicContact CB-CB 4.47Å; F294-L358 HydrophobicContact CB-CD1 3.82Å; F294-L358 HydrophobicContact CD2-CB 3.75Å; F294-L358 HydrophobicContact CE2-CB 4.13Å; F294-L358 HydrophobicContact CG-CB 4.09Å; F294-L358 HydrophobicContact CG-CD1 4.16Å; F354-L358 HydrophobicContact CD1-CD1 3.81Å; F354-L358 HydrophobicContact CD1-CG 4.2Å; F354-L358 HydrophobicContact CD2-CG 4.5Å; F354-L358 HydrophobicContact CE1-CD1 3.79Å; F354-L358 HydrophobicContact CE1-CD2 4.05Å; F354-L358 HydrophobicContact CE1-CG 4.07Å; F354-L358 HydrophobicContact CE2-CD2 4.25Å; F354-L358 HydrophobicContact CE2-CG 4.38Å; F354-L358 HydrophobicContact CG-CD1 4.41Å; F354-L358 HydrophobicContact CG-CG 4.41Å; F354-L358 HydrophobicContact CZ-CD1 4.37Å; F354-L358 HydrophobicContact CZ-CD2 3.82Å; F354-L358 HydrophobicContact CZ-CG 4.17Å; F354-L358 WeakPolarHBondContact O-CB 3.06Å; F354-L358 VanDerWaalsContact O-CG 3.25Å; F354-L358 WeakPolarHBondContact O-CG 3.35Å; F354-L358 PolarHBondContact O-N 3.13Å; L356-L358 PolarHBondContact O-N 3.33Å; L358-Q360 VanDerWaalsContact C-N 3.34Å; L358-N361 CarbonylContact O-C 3.57Å; L358-N361 PolarHBondContact O-N 2.94Å; L358-A365 HydrophobicContact CB-CB 4.04Å; L358-A365 HydrophobicContact CD2-CB 3.5Å; L358-A365 VanDerWaalsContact CD2-CB 3.5Å; L358-A365 HydrophobicContact CG-CB 4.39Å; L358-A365 WeakPolarHBondContact O-CB 3.47Å
359N94.1Very high95.1Very high73 Ų7349.6 Ų49.639%0.3926%0.256SS..Hα-helixtrans-72.7-25.3178.5-75.7-65.5000113.4I355 L356 W357 V362I355-N359 PolarHBondContact O-N 3.48Å; I355-N359 PolarHBondContact O-ND2 3.22Å; L356-N359 PolarHBondContact O-N 2.86Å; W357-N359 VanDerWaalsContact C-N 3.32Å; W357-N359 PolarHBondContact O-N 3.05Å; N359-V362 WeakPolarHBondContact O-CG2 3.48Å
360Q94.7Very high95.1Very high134 Ų13454.6 Ų54.663%0.62628%0.278SS*.Hα-helixtrans-83.1-31.1174.5-71.5176.90.200112.8L356 W357 L358L356-Q360 WeakPolarHBondContact O-CG 3.49Å; L356-Q360 PolarHBondContact O-N 3.31Å; W357-Q360 PolarHBondContact O-N 2.88Å; W357-Q360 VanDerWaalsContact O-N 3.17Å; L358-Q360 VanDerWaalsContact C-N 3.34Å
361N94.2Very high95Very high65 Ų6557.1 Ų57.135%0.34829%0.291SS..SBendtrans-11551.1-173-61.2-84.3000111.4W357 L358 Q363 A364 A365W357-N361 VanDerWaalsContact CD1-ND2 3.27Å; W357-N361 HydrophobicContact CD2-CB 4.32Å; W357-N361 HydrophobicContact CH2-CB 4.24Å; W357-N361 HydrophobicContact CZ2-CB 3.9Å; W357-N361 PolarHBondContact NE1-ND2 2.95Å; W357-N361 WeakPolarHBondContact O-CB 3.28Å; W357-N361 PolarHBondContact O-N 3.15Å; W357-N361 PolarHBondContact O-ND2 3.43Å; L358-N361 CarbonylContact O-C 3.57Å; L358-N361 PolarHBondContact O-N 2.94Å; N361-Q363 VanDerWaalsContact C-N 3.3Å; N361-Q363 PolarHBondContact O-N 3.08Å; N361-Q363 VanDerWaalsContact O-N 3.13Å; N361-A364 PolarHBondContact O-N 2.95Å; N361-A365 WeakPolarHBondContact O-CB 3.32Å; N361-A365 PolarHBondContact O-N 3.39Å
362V93.9Very high94.9Very high44 Ų4454.5 Ų54.527%0.26728%0.28SS..Hα-helixtrans-50.4-43.7-168.4176.90000113.9N359 A365 E366N359-V362 WeakPolarHBondContact O-CG2 3.48Å; V362-A365 PolarHBondContact O-N 2.98Å; V362-E366 HydrophobicContact CG1-CG 4.4Å; V362-E366 WeakPolarHBondContact O-CB 3.45Å; V362-E366 WeakPolarHBondContact O-CG 3.43Å; V362-E366 PolarHBondContact O-N 2.82Å
363Q93.7Very high94.8Very high165 Ų16550 Ų5077%0.77126%0.256SS*.Hα-helixtrans-63.2-46-179.2-68.1176.91.100112N361 L367N361-Q363 VanDerWaalsContact C-N 3.3Å; N361-Q363 PolarHBondContact O-N 3.08Å; N361-Q363 VanDerWaalsContact O-N 3.13Å; Q363-L367 WeakPolarHBondContact O-CG 3.38Å; Q363-L367 PolarHBondContact O-N 3.1Å
364A94.6Very high94.6Very high21 Ų2151.3 Ų51.317%0.17426%0.263CS..Hα-helixtrans-68.8-37176.600000111.5L233 W357 N361 L367 L368L233-A364 HydrophobicContact CD1-CB 4.26Å; W357-A364 HydrophobicContact CH2-CB 3.98Å; N361-A364 PolarHBondContact O-N 2.95Å; A364-L367 PolarHBondContact O-N 3.41Å; A364-L368 WeakPolarHBondContact O-CB 3.3Å; A364-L368 WeakPolarHBondContact O-CG 3.5Å; A364-L368 PolarHBondContact O-N 3.46Å
365A95.3Very high94.3Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-63.6-41.1177.300000112.6F294 L358 N361 V362 L368 A369F294-A365 HydrophobicContact CE1-CB 3.75Å; F294-A365 HydrophobicContact CE2-CB 4Å; F294-A365 HydrophobicContact CZ-CB 3.44Å; F294-A365 VanDerWaalsContact CZ-CB 3.44Å; L358-A365 HydrophobicContact CB-CB 4.04Å; L358-A365 HydrophobicContact CD2-CB 3.5Å; L358-A365 VanDerWaalsContact CD2-CB 3.5Å; L358-A365 HydrophobicContact CG-CB 4.39Å; L358-A365 WeakPolarHBondContact O-CB 3.47Å; N361-A365 WeakPolarHBondContact O-CB 3.32Å; N361-A365 PolarHBondContact O-N 3.39Å; V362-A365 PolarHBondContact O-N 2.98Å; A365-L368 PolarHBondContact O-N 3.44Å; A365-A369 WeakPolarHBondContact O-CB 3.29Å; A365-A369 PolarHBondContact O-N 2.9Å
366E94.9Very high94.1Very high67 Ų6750.9 Ų50.931%0.31326%0.262SS..Hα-helixtrans-64.5-44.2175.4-76.1174.4175.700111.5F294 R298 V362 L368 A369 E370F294-E366 HydrophobicContact CZ-CG 4.39Å; R298-E366 IonicContact CZ-OE1 2.68Å; R298-E366 IonicContact NE-OE1 2.83Å; R298-E366 PolarHBondContact NE-OE1 3.48Å; R298-E366 IonicContact NH2-OE1 3.17Å; R298-E366 PolarHBondContact NH2-OE1 3.41Å; V362-E366 HydrophobicContact CG1-CG 4.4Å; V362-E366 WeakPolarHBondContact O-CB 3.45Å; V362-E366 WeakPolarHBondContact O-CG 3.43Å; V362-E366 PolarHBondContact O-N 2.82Å; E366-L368 VanDerWaalsContact C-N 3.35Å; E366-L368 PolarHBondContact O-N 3.02Å; E366-A369 PolarHBondContact O-N 2.86Å; E366-E370 WeakPolarHBondContact O-CG 3.29Å; E366-E370 PolarHBondContact O-N 2.88Å
367L94.6Very high93.8Very high89 Ų8949 Ų4947%0.46625%0.251SS..Hα-helixtrans-61.1-41.9174.3-68.6171.8000112.1L233 Q363 A364 E370 M371L233-L367 HydrophobicContact CD1-CB 4.06Å; L233-L367 HydrophobicContact CD1-CD1 4.06Å; L233-L367 HydrophobicContact CD2-CB 3.7Å; Q363-L367 WeakPolarHBondContact O-CG 3.38Å; Q363-L367 PolarHBondContact O-N 3.1Å; A364-L367 PolarHBondContact O-N 3.41Å; L367-E370 PolarHBondContact O-N 2.76Å; L367-M371 WeakPolarHBondContact O-CG 3.49Å; L367-M371 PolarHBondContact O-N 3.32Å
368L94.9Very high93.3Very high5 Ų554.8 Ų54.83%0.02627%0.273CS..Hα-helixtrans-64.4-41.6175.9-78169.4000111.9L233 W255 M291 F354 W357 A364 A365 E366 E370 M371 A372L233-L368 HydrophobicContact CB-CD2 4.42Å; L233-L368 HydrophobicContact CD2-CB 4.39Å; L233-L368 HydrophobicContact CD2-CD2 3.59Å; L233-L368 HydrophobicContact CD2-CG 3.64Å; L233-L368 HydrophobicContact CG-CD2 3.78Å; L233-L368 HydrophobicContact CG-CG 3.8Å; W255-L368 HydrophobicContact CB-CD2 4.08Å; W255-L368 HydrophobicContact CD2-CD2 3.49Å; W255-L368 VanDerWaalsContact CD2-CD2 3.49Å; W255-L368 HydrophobicContact CE3-CD1 4.17Å; W255-L368 HydrophobicContact CE3-CD2 3.35Å; W255-L368 HydrophobicContact CE3-CG 4.43Å; W255-L368 HydrophobicContact CG-CD2 3.81Å; W255-L368 HydrophobicContact CZ3-CD1 4.05Å; W255-L368 HydrophobicContact CZ3-CD2 3.97Å; M291-L368 HydrophobicContact CE-CB 3.92Å; F354-L368 HydrophobicContact CZ-CD1 4.49Å; W357-L368 HydrophobicContact CH2-CD1 3.88Å; W357-L368 HydrophobicContact CZ3-CD1 3.7Å; A364-L368 WeakPolarHBondContact O-CB 3.3Å; A364-L368 WeakPolarHBondContact O-CG 3.5Å; A364-L368 PolarHBondContact O-N 3.46Å; A365-L368 PolarHBondContact O-N 3.44Å; E366-L368 VanDerWaalsContact C-N 3.35Å; E366-L368 PolarHBondContact O-N 3.02Å; L368-E370 VanDerWaalsContact C-N 3.35Å; L368-M371 WeakPolarHBondContact O-CB 3.44Å; L368-M371 PolarHBondContact O-N 3.41Å; L368-A372 PolarHBondContact O-N 3.37Å
369A95Very high92.8Very high0 Ų057 Ų570%028%0.281CS..Hα-helixtrans-62.9-42.2175.700000111.3M291 I300 A365 E366 M371 A372 I373M291-A369 HydrophobicContact SD-CB 3.82Å; I300-A369 HydrophobicContact CD1-CB 3.46Å; I300-A369 VanDerWaalsContact CD1-CB 3.46Å; A365-A369 WeakPolarHBondContact O-CB 3.29Å; A365-A369 PolarHBondContact O-N 2.9Å; E366-A369 PolarHBondContact O-N 2.86Å; A369-M371 VanDerWaalsContact C-N 3.34Å; A369-M371 PolarHBondContact O-N 3.23Å; A369-A372 PolarHBondContact O-N 2.85Å; A369-I373 WeakPolarHBondContact O-CB 3.28Å; A369-I373 WeakPolarHBondContact O-CD1 3.4Å; A369-I373 WeakPolarHBondContact O-CG1 3.18Å; A369-I373 PolarHBondContact O-N 3.21Å
370E93.7Very high92.2Very high126 Ų12656.4 Ų56.459%0.58928%0.277SS*.Hα-helixtrans-59.5-42.9174.1-74.8179.5-177.500112.1E366 L367 L368 I373 S374E366-E370 WeakPolarHBondContact O-CG 3.29Å; E366-E370 PolarHBondContact O-N 2.88Å; L367-E370 PolarHBondContact O-N 2.76Å; L368-E370 VanDerWaalsContact C-N 3.35Å; E370-I373 PolarHBondContact O-N 2.9Å; E370-S374 VanDerWaalsContact O-CB 3.25Å; E370-S374 WeakPolarHBondContact O-CB 3.48Å; E370-S374 PolarHBondContact O-N 2.94Å
371M94Very high91.3Very high53 Ų5357.7 Ų57.726%0.26128%0.276SS..Hα-helixtrans-59.8-49.8174.1-73.8179.959.400111.8L233 W255 P257 L367 L368 A369 I373 S374 S375L233-M371 HydrophobicContact CD2-SD 3.47Å; L233-M371 WeakPolarHBondContact CD2-SD 3.39Å; W255-M371 HydrophobicContact CB-CE 4.05Å; P257-M371 HydrophobicContact CB-CE 3.92Å; P257-M371 HydrophobicContact CB-SD 3.92Å; L367-M371 WeakPolarHBondContact O-CG 3.49Å; L367-M371 PolarHBondContact O-N 3.32Å; L368-M371 WeakPolarHBondContact O-CB 3.44Å; L368-M371 PolarHBondContact O-N 3.41Å; A369-M371 VanDerWaalsContact C-N 3.34Å; A369-M371 PolarHBondContact O-N 3.23Å; M371-I373 PolarHBondContact O-N 3.21Å; M371-S374 WeakPolarHBondContact O-CB 3.24Å; M371-S374 PolarHBondContact O-N 3.17Å; M371-S375 PolarHBondContact O-N 3.35Å
372A94Very high90.4Very high4 Ų457.2 Ų57.23%0.03328%0.281CS..Hα-helixtrans-62.6-41.7179.100000112.1L307 I312 L368 A369 S375 A376L307-A372 HydrophobicContact CD2-CB 4.14Å; I312-A372 HydrophobicContact CG1-CB 3.73Å; L368-A372 PolarHBondContact O-N 3.37Å; A369-A372 PolarHBondContact O-N 2.85Å; A372-S375 PolarHBondContact O-N 3.41Å; A372-A376 WeakPolarHBondContact O-CB 3.31Å; A372-A376 PolarHBondContact O-N 2.88Å
373I93.5Very high89.1Confident15 Ų1557.3 Ų57.38%0.07729%0.286CS..Hα-helixtrans-64.1-42.3175.9-69.7162.5000110.6L301 P302 L307 A369 E370 M371 S375 A376 Q377L301-I373 HydrophobicContact CD1-CG1 4.19Å; P302-I373 HydrophobicContact CG-CG2 3.78Å; L307-I373 HydrophobicContact CD2-CG1 4.27Å; A369-I373 WeakPolarHBondContact O-CB 3.28Å; A369-I373 WeakPolarHBondContact O-CD1 3.4Å; A369-I373 WeakPolarHBondContact O-CG1 3.18Å; A369-I373 PolarHBondContact O-N 3.21Å; E370-I373 PolarHBondContact O-N 2.9Å; M371-I373 PolarHBondContact O-N 3.21Å; I373-S375 VanDerWaalsContact C-N 3.35Å; I373-A376 PolarHBondContact O-N 2.88Å; I373-Q377 HydrophobicContact CG2-CG 4.45Å; I373-Q377 WeakPolarHBondContact O-CB 3.47Å; I373-Q377 VanDerWaalsContact O-CG 3.31Å; I373-Q377 WeakPolarHBondContact O-CG 3.4Å; I373-Q377 PolarHBondContact O-N 2.94Å
374S91.7Very high87.5Confident60 Ų6056.4 Ų56.442%0.4228%0.28SS..Hα-helixtrans-61.7-42.8176.6-175.50000111.5E370 M371 Q377 R378E370-S374 VanDerWaalsContact O-CB 3.25Å; E370-S374 WeakPolarHBondContact O-CB 3.48Å; E370-S374 PolarHBondContact O-N 2.94Å; M371-S374 WeakPolarHBondContact O-CB 3.24Å; M371-S374 PolarHBondContact O-N 3.17Å; S374-Q377 PolarHBondContact O-N 2.8Å; S374-R378 WeakPolarHBondContact O-CB 3Å; S374-R378 PolarHBondContact O-N 2.91Å
375S90.8Very high85.6Confident14 Ų1464.3 Ų64.310%0.09831%0.31CS..Hα-helixtrans-61.4-48.8174.1-1700000111.7D311 M371 A372 I373 Q377 R378 R379D311-S375 WeakPolarHBondContact O-CB 3.31Å; M371-S375 PolarHBondContact O-N 3.35Å; A372-S375 PolarHBondContact O-N 3.41Å; I373-S375 VanDerWaalsContact C-N 3.35Å; S375-Q377 VanDerWaalsContact C-N 3.34Å; S375-Q377 PolarHBondContact O-N 3.1Å; S375-R378 WeakPolarHBondContact O-CA 3.25Å; S375-R378 WeakPolarHBondContact O-CB 3.29Å; S375-R378 PolarHBondContact O-N 2.97Å; S375-R379 PolarHBondContact O-N 3.2Å
376A90.5Very high83.5Confident0 Ų067.4 Ų67.40%033%0.329CS..Hα-helixtrans-58.8-42.4175.800000112.6V305 L307 D311 A372 I373 R379 M380V305-A376 HydrophobicContact CG1-CB 3.8Å; L307-A376 HydrophobicContact CD2-CB 3.97Å; D311-A376 HydrophobicContact CB-CB 4.13Å; D311-A376 VanDerWaalsContact OD1-CA 3.27Å; D311-A376 WeakPolarHBondContact OD1-CA 3.26Å; D311-A376 PolarHBondContact OD1-N 2.94Å; D311-A376 WeakPolarHBondContact OD2-CB 3.27Å; A372-A376 WeakPolarHBondContact O-CB 3.31Å; A372-A376 PolarHBondContact O-N 2.88Å; I373-A376 PolarHBondContact O-N 2.88Å; A376-R379 PolarHBondContact O-N 3.12Å; A376-M380 WeakPolarHBondContact O-CB 3.44Å; A376-M380 VanDerWaalsContact O-CG 3.27Å; A376-M380 WeakPolarHBondContact O-CG 3.33Å; A376-M380 PolarHBondContact O-N 2.85Å
377Q89.3Confident81.1Confident61 Ų6168.5 Ų68.529%0.28534%0.34SS..Hα-helixtrans-65-39174.9-73.8-17611.100112.2V305 I373 S374 S375 M380 R381V305-Q377 HydrophobicContact CG2-CG 4.16Å; I373-Q377 HydrophobicContact CG2-CG 4.45Å; I373-Q377 WeakPolarHBondContact O-CB 3.47Å; I373-Q377 VanDerWaalsContact O-CG 3.31Å; I373-Q377 WeakPolarHBondContact O-CG 3.4Å; I373-Q377 PolarHBondContact O-N 2.94Å; S374-Q377 PolarHBondContact O-N 2.8Å; S375-Q377 VanDerWaalsContact C-N 3.34Å; S375-Q377 PolarHBondContact O-N 3.1Å; Q377-M380 PolarHBondContact O-N 3.35Å; Q377-R381 WeakPolarHBondContact O-CB 3.42Å; Q377-R381 VanDerWaalsContact O-CG 3.25Å; Q377-R381 WeakPolarHBondContact O-CG 3.39Å; Q377-R381 PolarHBondContact O-N 3.05Å
378R85.9Confident78.2Confident155 Ų15574.9 Ų74.959%0.58536%0.358SS*.Hα-helixtrans-62.6-47175.6-169.9-171.7-59.2159.93.1110.6D314 S374 S375 M380 R381 A382D314-R378 IonicContact OD2-NH1 3.92Å; S374-R378 WeakPolarHBondContact O-CB 3Å; S374-R378 PolarHBondContact O-N 2.91Å; S375-R378 WeakPolarHBondContact O-CA 3.25Å; S375-R378 WeakPolarHBondContact O-CB 3.29Å; S375-R378 PolarHBondContact O-N 2.97Å; R378-M380 PolarHBondContact O-N 3.11Å; R378-R381 PolarHBondContact O-N 3.01Å; R378-A382 WeakPolarHBondContact O-CB 3.49Å; R378-A382 PolarHBondContact O-N 3.43Å
379R85Confident75.3Confident45 Ų4584.4 Ų84.417%0.1740%0.399CS..Hα-helixtrans-55.5-48.6173.1179.8173.960.497.20.7111.6K306 S308 D311 S375 A376 R381 A382 A383 E433K306-R379 PolarHBondContact O-NH2 3.48Å; S308-R379 PolarHBondContact OG-NE 3.09Å; S308-R379 PolarHBondContact OG-NH2 2.73Å; D311-R379 IonicContact OD1-CZ 3.37Å; D311-R379 IonicContact OD1-NE 3.82Å; D311-R379 PolarHBondContact OD1-NE 2.8Å; D311-R379 IonicContact OD1-NH2 3.74Å; D311-R379 IonicContact OD2-CZ 2.88Å; D311-R379 IonicContact OD2-NE 2.98Å; D311-R379 PolarHBondContact OD2-NE 2.66Å; D311-R379 IonicContact OD2-NH2 3.46Å; D311-R379 PolarHBondContact OD2-NH2 3.17Å; S375-R379 PolarHBondContact O-N 3.2Å; A376-R379 PolarHBondContact O-N 3.12Å; R379-R381 PolarHBondContact O-N 3.49Å; R379-A382 PolarHBondContact O-N 2.95Å; R379-A383 WeakPolarHBondContact O-CB 3.38Å; R379-A383 PolarHBondContact O-N 2.9Å; R379-E433 IonicContact NH1-OE1 2.85Å
380M81.3Confident72.3Confident62 Ų6292.5 Ų92.531%0.30543%0.434SS..Hα-helixtrans-64.6-37.3177-70.2-179.974.100113.1V305 A376 Q377 R378 K384V305-M380 HydrophobicContact CG2-SD 4.44Å; A376-M380 WeakPolarHBondContact O-CB 3.44Å; A376-M380 VanDerWaalsContact O-CG 3.27Å; A376-M380 WeakPolarHBondContact O-CG 3.33Å; A376-M380 PolarHBondContact O-N 2.85Å; Q377-M380 PolarHBondContact O-N 3.35Å; R378-M380 PolarHBondContact O-N 3.11Å; M380-K384 WeakPolarHBondContact O-CB 3.42Å; M380-K384 WeakPolarHBondContact O-CG 3.48Å; M380-K384 PolarHBondContact O-N 3.25Å
381R77.2Confident69.7Low161 Ų16195 Ų9561%0.60845%0.451SS*.Hα-helixtrans-69.3-39.7175.3-73.6177.2-155.1-162.19.4111.6Q377 R378 R379 K384 K385Q377-R381 WeakPolarHBondContact O-CB 3.42Å; Q377-R381 VanDerWaalsContact O-CG 3.25Å; Q377-R381 WeakPolarHBondContact O-CG 3.39Å; Q377-R381 PolarHBondContact O-N 3.05Å; R378-R381 PolarHBondContact O-N 3.01Å; R379-R381 PolarHBondContact O-N 3.49Å; R381-K384 CarbonylContact O-C 3.57Å; R381-K384 PolarHBondContact O-N 3.48Å; R381-K385 PolarHBondContact O-N 2.96Å
382A74Confident67.1Low55 Ų5597.2 Ų97.246%0.45547%0.468SS..Hα-helixtrans-61-49.8174.400000109.9R378 R379 K384 K385 V386R378-A382 WeakPolarHBondContact O-CB 3.49Å; R378-A382 PolarHBondContact O-N 3.43Å; R379-A382 PolarHBondContact O-N 2.95Å; A382-K384 VanDerWaalsContact C-N 3.26Å; A382-K384 PolarHBondContact O-N 2.86Å; A382-K385 PolarHBondContact O-N 2.85Å; A382-V386 WeakPolarHBondContact O-CG2 3.47Å; A382-V386 PolarHBondContact O-N 3.5Å
383A68.1Low64.7Low45 Ų45103 Ų10337%0.37251%0.507SS..Hα-helixtrans-56.3-37.6173.400000112.8R379R379-A383 WeakPolarHBondContact O-CB 3.38Å; R379-A383 PolarHBondContact O-N 2.9Å
384K60.2Low62.7Low147 Ų147105.1 Ų105.164%0.63953%0.533SS*.Hα-helixtrans-74-30174.9-75.9179-177.5-178.70114.5M380 R381 A382 V386 V387M380-K384 WeakPolarHBondContact O-CB 3.42Å; M380-K384 WeakPolarHBondContact O-CG 3.48Å; M380-K384 PolarHBondContact O-N 3.25Å; R381-K384 CarbonylContact O-C 3.57Å; R381-K384 PolarHBondContact O-N 3.48Å; A382-K384 VanDerWaalsContact C-N 3.26Å; A382-K384 PolarHBondContact O-N 2.86Å; K384-V386 PolarHBondContact O-N 3.09Å; K384-V387 WeakPolarHBondContact O-CB 3.4Å; K384-V387 VanDerWaalsContact O-CG2 3.26Å; K384-V387 WeakPolarHBondContact O-CG2 3.19Å; K384-V387 PolarHBondContact O-N 2.73Å
385K54.4Low61.1Low186 Ų186106.9 Ų106.981%0.80954%0.543SS*.Hα-helixtrans-68.7-23.6176.1-83-171.8177.1-177.50112.1R381 A382 V387R381-K385 PolarHBondContact O-N 2.96Å; A382-K385 PolarHBondContact O-N 2.85Å; K385-V387 PolarHBondContact O-N 3.33Å
386V49.6Very low60.1Low66 Ų66110.8 Ų110.840%0.458%0.577SS.*THydrogen-bonded Turntrans-76.98.5172.3-160.10000111.4A382 K384 Q407A382-V386 WeakPolarHBondContact O-CG2 3.47Å; A382-V386 PolarHBondContact O-N 3.5Å; K384-V386 PolarHBondContact O-N 3.09Å; V386-Q407 HydrophobicContact CB-CB 4.24Å; V386-Q407 HydrophobicContact CG1-CB 3.37Å; V386-Q407 HydrophobicContact CG1-CG 4.11Å; V386-Q407 VanDerWaalsContact CG1-OE1 3.27Å; V386-Q407 PolarHBondContact O-OE1 3.22Å; V386-Q407 VanDerWaalsContact O-OE1 3.07Å
387V44.9Very low59.7Low90 Ų90114.3 Ų114.355%0.54560%0.595SS.*  trans-92.1116.4175-179.40000111.5K384 K385K384-V387 WeakPolarHBondContact O-CB 3.4Å; K384-V387 VanDerWaalsContact O-CG2 3.26Å; K384-V387 WeakPolarHBondContact O-CG2 3.19Å; K384-V387 PolarHBondContact O-N 2.73Å; K385-V387 PolarHBondContact O-N 3.33Å
388R33.8Very low59.4Low223 Ų223111.9 Ų111.984%0.84258%0.584SS**  trans85.552.6169.5-68.4179.8177.5179.50.3117.7K390R388-K390 PolarHBondContact O-N 3.02Å
389K33.4Very low59.2Low204 Ų204108.8 Ų108.889%0.88760%0.601SS**SBend-71.7114.6127.9-94-176.21781780106.3L391K389-L391 PolarHBondContact O-N 2.96Å
390K33.1Very low59.3Low170 Ų170109.3 Ų109.374%0.73960%0.604SS**  trans-18116178.8-85.1179173.5177.60114.2R388 T392R388-K390 PolarHBondContact O-N 3.02Å; K390-T392 WeakPolarHBondContact CB-OG1 3.27Å; K390-T392 VanDerWaalsContact CG-OG1 3.28Å; K390-T392 WeakPolarHBondContact CG-OG1 3.16Å; K390-T392 PolarHBondContact O-N 2.87Å
391L38.5Very low59.8Low178 Ų178107.3 Ų107.393%0.93260%0.595SS**SBendtrans-68.336.1158.3-141.9110.5000110.8K389K389-L391 PolarHBondContact O-N 2.96Å
392T39.1Very low60.6Low101 Ų101100.2 Ų100.262%0.6257%0.571SS**SBendtrans-146.668-169.338.80000109.9K390K390-T392 WeakPolarHBondContact CB-OG1 3.27Å; K390-T392 VanDerWaalsContact CG-OG1 3.28Å; K390-T392 WeakPolarHBondContact CG-OG1 3.16Å; K390-T392 PolarHBondContact O-N 2.87Å
393S43.9Very low61.4Low124 Ų124100.2 Ų100.287%0.86756%0.563SS**SBendtrans-176.50.1145.363.70000114
394G51.8Low62.5Low60 Ų6098.7 Ų98.762%0.61955%0.55SS*.SBendtrans-88.4161.6176.200000112.9
395P57.7Low63.8Low98 Ų9896.9 Ų96.964%0.63655%0.551SS**PPolyproline II helixtrans-54.2149.6172.6-4.810.7000110.7L397 V466P395-L397 PolarHBondContact O-N 2.66Å; P395-V466 HydrophobicContact CB-CG1 4.06Å; P395-V466 HydrophobicContact CB-CG2 4.49Å; P395-V466 HydrophobicContact CG-CG1 4.34Å
396A70Confident65.3Low96 Ų9688.6 Ų88.679%0.79352%0.517SS*.PPolyproline II helixtrans-59.3126.8172.300000108.8
397L82.2Confident66.7Low74 Ų7490.7 Ų90.739%0.38752%0.523SS..PPolyproline II helixtrans-58.8145.9176.5-65-179.7000110.1P395 G399 L401 V466P395-L397 PolarHBondContact O-N 2.66Å; L397-G399 PolarHBondContact O-N 3.25Å; L397-L401 HydrophobicContact CB-CD2 4.29Å; L397-L401 HydrophobicContact CD1-CD2 4.21Å; L397-L401 HydrophobicContact CD2-CD2 4.4Å; L397-V466 HydrophobicContact CD2-CG1 4.43Å
398P82.6Confident68.7Low9 Ų989.9 Ų89.96%0.05852%0.515CS..PPolyproline II helixtrans-56.1134.9179.6-23.332.1000111.1K400 L401 D463 V466 A467P398-K400 PolarHBondContact O-N 3.44Å; P398-L401 VanDerWaalsContact O-CB 3.31Å; P398-L401 WeakPolarHBondContact O-CB 3.26Å; P398-L401 PolarHBondContact O-N 3.46Å; P398-D463 HydrophobicContact CB-CB 3.82Å; P398-D463 HydrophobicContact CG-CB 3.66Å; P398-D463 VanDerWaalsContact CG-O 3.24Å; P398-D463 WeakPolarHBondContact CG-O 3.44Å; P398-V466 HydrophobicContact CG-CB 4.32Å; P398-V466 HydrophobicContact CG-CG1 4.41Å; P398-A467 HydrophobicContact CG-CB 4.49Å
399G81.5Confident71.3Confident91 Ų9182.4 Ų82.494%0.93849%0.492SS*.THydrogen-bonded Turntrans-62-18.6-176.900000114.5L397L397-G399 PolarHBondContact O-N 3.25Å
400K86.8Confident73.8Confident55 Ų5579.6 Ų79.624%0.23949%0.486CS..THydrogen-bonded Turntrans-79.8-20.4175.7-56.5-175.6-163.2167.50113.1P398 A402 P439 E460P398-K400 PolarHBondContact O-N 3.44Å; K400-A402 PolarHBondContact O-N 3.43Å; K400-P439 WeakPolarHBondContact CD-O 3.4Å; K400-P439 VanDerWaalsContact O-CD 3.27Å; K400-P439 WeakPolarHBondContact O-CD 3.4Å; K400-E460 IonicContact NZ-OE1 3.91Å; K400-E460 PolarHBondContact NZ-OE1 2.57Å; K400-E460 IonicContact NZ-OE2 3.82Å; K400-E460 PolarHBondContact NZ-OE2 2.7Å
401L92.6Very high76.5Confident21 Ų2174 Ų7411%0.1146%0.461CS..  trans-71.8115.2-177.2179.665.7000110.2L397 P398 D403 L414 A436 M438 A467L397-L401 HydrophobicContact CB-CD2 4.29Å; L397-L401 HydrophobicContact CD1-CD2 4.21Å; L397-L401 HydrophobicContact CD2-CD2 4.4Å; P398-L401 VanDerWaalsContact O-CB 3.31Å; P398-L401 WeakPolarHBondContact O-CB 3.26Å; P398-L401 PolarHBondContact O-N 3.46Å; L401-D403 HydrophobicContact CG-CB 4.49Å; L401-D403 PolarHBondContact O-N 3.16Å; L401-L414 HydrophobicContact CD1-CD1 3.69Å; L401-A436 HydrophobicContact CD1-CB 4.28Å; L401-M438 HydrophobicContact CD1-CB 3.94Å; L401-A467 HydrophobicContact CD1-CB 4.45Å; L401-A467 HydrophobicContact CD2-CB 4.1Å
402A93.4Very high79.1Confident12 Ų1265.5 Ų65.510%0.09942%0.416CS..BIsolated β-bridgetrans-86.8102.1161.900000107.6K400 K427 R430 A436 I437K400-A402 PolarHBondContact O-N 3.43Å; A402-K427 HydrophobicContact CB-CD 3.97Å; A402-K427 HydrophobicContact CB-CG 4.17Å; A402-R430 PolarHBondContact O-NH1 3.12Å; A402-A436 CarbonylContact O-C 3.55Å; A402-A436 VanDerWaalsContact O-CA 3.24Å; A402-A436 WeakPolarHBondContact O-CA 3.47Å; A402-I437 HydrophobicContact CB-CB 4.4Å; A402-I437 PolarHBondContact N-O 3.35Å; A402-I437 PolarHBondContact O-N 3.19Å
403D92.6Very high81.8Confident55 Ų5561.1 Ų61.129%0.29439%0.389SS..  trans-77.7167.1-175.9-154.30.9000113.2L401 R430 R481 Y482L401-D403 HydrophobicContact CG-CB 4.49Å; L401-D403 PolarHBondContact O-N 3.16Å; D403-R430 PolarHBondContact O-NH1 2.83Å; D403-R430 VanDerWaalsContact O-NH1 3.12Å; D403-R430 PolarHBondContact O-NH2 3.39Å; D403-R481 IonicContact OD1-NH2 3.64Å; D403-R481 IonicContact OD2-CZ 3.91Å; D403-R481 IonicContact OD2-NH2 2.68Å; D403-R481 PolarHBondContact OD2-NH2 3.01Å; D403-Y482 PolarHBondContact OD1-OH 2.88Å
404C90.4Very high84.3Confident13 Ų1355.2 Ų55.29%0.08835%0.347CS..  trans-99166.7169.663.90000112R432 Y434C404-R432 WeakPolarHBondContact CA-O 3.48Å; C404-Y434 VanDerWaalsContact CB-C 3.46Å
405T87.1Confident86.5Confident108 Ų10852.3 Ų52.366%0.66332%0.318SS*.SBendtrans-91-23.7-179.655.80000114.4R432 E433T405-R432 PolarHBondContact N-O 3.4Å; T405-R432 VanDerWaalsContact N-O 3.16Å; T405-E433 PolarHBondContact N-O 3.29Å; T405-E433 VanDerWaalsContact N-O 3.15Å; T405-E433 WeakPolarHBondContact OG1-CA 3.22Å; T405-E433 PolarHBondContact OG1-O 3.34Å
406A85.3Confident88.3Confident13 Ų1347.8 Ų47.811%0.10729%0.288CS..  trans-77.6155.2177.200000110.7T412 E433A406-T412 HydrophobicContact CB-CG2 3.85Å; A406-T412 VanDerWaalsContact O-CG2 3.3Å; A406-T412 WeakPolarHBondContact O-CG2 3.46Å; A406-E433 WeakPolarHBondContact CB-O 3.13Å; A406-E433 PolarHBondContact N-O 3.2Å
407Q80.6Confident89.4Confident110 Ų11043.2 Ų43.251%0.51425%0.25SS..  trans-128.42.5178.4-67.9-170.915.900111.9V386 L409V386-Q407 HydrophobicContact CB-CB 4.24Å; V386-Q407 HydrophobicContact CG1-CB 3.37Å; V386-Q407 HydrophobicContact CG1-CG 4.11Å; V386-Q407 VanDerWaalsContact CG1-OE1 3.27Å; V386-Q407 PolarHBondContact O-OE1 3.22Å; V386-Q407 VanDerWaalsContact O-OE1 3.07Å; Q407-L409 PolarHBondContact O-N 3Å
408D85.7Confident89.7Confident73 Ų7341.3 Ų41.339%0.3924%0.24SC..  trans-75.5114.9176.7-179.73.2000109.3N410 R411 T412D408-N410 PolarHBondContact O-N 2.91Å; D408-N410 WeakPolarHBondContact OD1-CB 3.31Å; D408-N410 PolarHBondContact OD1-N 3.1Å; D408-R411 PolarHBondContact O-N 3.24Å; D408-T412 WeakPolarHBondContact O-CB 3.21Å; D408-T412 VanDerWaalsContact O-CG2 3.24Å; D408-T412 WeakPolarHBondContact O-CG2 3.43Å; D408-T412 PolarHBondContact O-N 3.08Å; D408-T412 PolarHBondContact O-OG1 3.41Å
409L88Confident89.9Confident65 Ų6542 Ų4234%0.3425%0.249SC..THydrogen-bonded Turntrans-57.5-31.6179.8-71.1176000112.2Q407 R411 T412 L480 G483Q407-L409 PolarHBondContact O-N 3Å; L409-R411 PolarHBondContact O-N 2.97Å; L409-R411 VanDerWaalsContact O-N 3.15Å; L409-T412 WeakPolarHBondContact CA-OG1 3.34Å; L409-L480 HydrophobicContact CD2-CB 4.45Å; L409-L480 HydrophobicContact CD2-CD2 4.41Å; L409-L480 HydrophobicContact CD2-CG 4.05Å; L409-L480 WeakPolarHBondContact CD2-O 3.42Å; L409-G483 WeakPolarHBondContact O-CA 3.34Å; L409-G483 PolarHBondContact O-N 2.99Å
410N87.2Confident90.1Very high146 Ų14642 Ų4278%0.78123%0.227SC*.THydrogen-bonded Turntrans-68.4-18.2179.5-64.8-40.2000113.5D408D408-N410 PolarHBondContact O-N 2.91Å; D408-N410 WeakPolarHBondContact OD1-CB 3.31Å; D408-N410 PolarHBondContact OD1-N 3.1Å
411R88.4Confident90Very high52 Ų5243.7 Ų43.720%0.19625%0.246CC..THydrogen-bonded Turntrans-115-27.1-177.4-64.6-174.768.6-141.8-5.1113.6D408 L409 E433 Y434D408-R411 PolarHBondContact O-N 3.24Å; L409-R411 PolarHBondContact O-N 2.97Å; L409-R411 VanDerWaalsContact O-N 3.15Å; R411-E433 IonicContact CZ-OE1 3.39Å; R411-E433 IonicContact NH1-OE1 2.85Å; R411-E433 PolarHBondContact NH1-OE1 2.95Å; R411-E433 IonicContact NH2-OE1 2.73Å; R411-E433 PolarHBondContact NH2-OE1 2.93Å; R411-Y434 WeakPolarHBondContact O-CB 3.33Å; R411-Y434 VanDerWaalsContact O-CD2 3.24Å; R411-Y434 WeakPolarHBondContact O-CD2 3.22Å
412T93.7Very high89.7Confident0 Ų042.9 Ų42.90%024%0.242CC..  trans-78.6138.5-170.947.30000112.4A406 D408 L409 Y434 G483 K484A406-T412 HydrophobicContact CB-CG2 3.85Å; A406-T412 VanDerWaalsContact O-CG2 3.3Å; A406-T412 WeakPolarHBondContact O-CG2 3.46Å; D408-T412 WeakPolarHBondContact O-CB 3.21Å; D408-T412 VanDerWaalsContact O-CG2 3.24Å; D408-T412 WeakPolarHBondContact O-CG2 3.43Å; D408-T412 PolarHBondContact O-N 3.08Å; D408-T412 PolarHBondContact O-OG1 3.41Å; L409-T412 WeakPolarHBondContact CA-OG1 3.34Å; T412-Y434 WeakPolarHBondContact CA-O 3.35Å; T412-G483 PolarHBondContact O-N 3.5Å; T412-G483 PolarHBondContact OG1-N 2.98Å; T412-K484 PolarHBondContact O-N 3.42Å; T412-K484 VanDerWaalsContact O-N 3.14Å
413E96.8Very high89.6Confident8 Ų842.4 Ų42.44%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-135.8139.1-173.8-49.9-179154.500109.7F415 Y434 Q435 A436 K484 R584E413-F415 HydrophobicContact CB-CE2 4.04Å; E413-Y434 HydrophobicContact CG-CD2 4.2Å; E413-Y434 PolarHBondContact N-O 2.94Å; E413-Q435 HydrophobicContact CB-CG 4.45Å; E413-Q435 CarbonylContact O-C 3.58Å; E413-Q435 WeakPolarHBondContact O-CA 3.22Å; E413-Q435 PolarHBondContact OE2-NE2 3.01Å; E413-A436 PolarHBondContact O-N 3.11Å; E413-K484 CarbonylContact C-O 2.94Å; E413-K484 VanDerWaalsContact CA-O 3.26Å; E413-K484 WeakPolarHBondContact CA-O 3.3Å; E413-K484 HydrophobicContact CB-CB 4.4Å; E413-K484 HydrophobicContact CG-CB 4.16Å; E413-K484 HydrophobicContact CG-CD 4.47Å; E413-R584 IonicContact OE1-CZ 2.81Å; E413-R584 VanDerWaalsContact OE1-CZ 3.3Å; E413-R584 IonicContact OE1-NH1 2.7Å; E413-R584 PolarHBondContact OE1-NH1 2.85Å; E413-R584 VanDerWaalsContact OE1-NH1 3.09Å; E413-R584 IonicContact OE1-NH2 3.99Å; E413-R584 PolarHBondContact OE1-NH2 3.41Å; E413-R584 IonicContact OE2-CZ 3.17Å; E413-R584 IonicContact OE2-NH1 3.48Å; E413-R584 PolarHBondContact OE2-NH1 3.19Å; E413-R584 IonicContact OE2-NH2 3.55Å
414L96.8Very high89.5Confident0 Ų041.2 Ų41.20%024%0.239CC..EExtended strand (participates in β ladder)trans-115.6124.7170.6173.365.3000109.1L401 L416 A436 M438 A467 I468 Y482 K484 I485 C486L401-L414 HydrophobicContact CD1-CD1 3.69Å; L414-L416 HydrophobicContact CD2-CD2 3.95Å; L414-L416 HydrophobicContact CG-CD2 4.14Å; L414-A436 HydrophobicContact CD1-CB 3.81Å; L414-M438 HydrophobicContact CD1-CB 4Å; L414-A467 HydrophobicContact CD2-CB 4.36Å; L414-I468 HydrophobicContact CD2-CG2 3.79Å; L414-Y482 HydrophobicContact CB-CD1 4.16Å; L414-Y482 HydrophobicContact CB-CD2 3.55Å; L414-Y482 HydrophobicContact CB-CE2 3.98Å; L414-Y482 HydrophobicContact CB-CG 3.64Å; L414-Y482 HydrophobicContact CD1-CE2 4.18Å; L414-Y482 HydrophobicContact CD2-CD2 3.85Å; L414-Y482 HydrophobicContact CD2-CE2 3.91Å; L414-Y482 HydrophobicContact CG-CD2 4.19Å; L414-Y482 HydrophobicContact CG-CE2 4.25Å; L414-K484 PolarHBondContact N-O 3.13Å; L414-I485 CarbonylContact O-C 3.55Å; L414-I485 WeakPolarHBondContact O-CA 3.28Å; L414-C486 PolarHBondContact O-N 3.11Å
415F96.7Very high89.5Confident0 Ų041.5 Ų41.50%024%0.241CC..EExtended strand (participates in β ladder)trans-100.6118.7170.2-68.6-99.1000110.2E413 V417 Q435 A436 I437 M438 C486 L488 L579E413-F415 HydrophobicContact CB-CE2 4.04Å; F415-V417 HydrophobicContact CB-CG2 4.05Å; F415-Q435 HydrophobicContact CE2-CB 4.45Å; F415-Q435 HydrophobicContact CE2-CG 4.28Å; F415-A436 PolarHBondContact N-O 2.74Å; F415-I437 HydrophobicContact CB-CD1 3.72Å; F415-I437 HydrophobicContact CD2-CD1 4.1Å; F415-I437 HydrophobicContact CG-CD1 4.15Å; F415-M438 PolarHBondContact O-N 2.85Å; F415-C486 CarbonylContact C-O 3.5Å; F415-C486 VanDerWaalsContact CA-O 3.28Å; F415-C486 WeakPolarHBondContact CA-O 3.37Å; F415-C486 HydrophobicContact CD1-CB 3.49Å; F415-C486 VanDerWaalsContact CD1-CB 3.49Å; F415-C486 HydrophobicContact CE1-CB 3.53Å; F415-C486 HydrophobicContact CG-CB 4.06Å; F415-C486 HydrophobicContact CZ-CB 4.13Å; F415-L488 HydrophobicContact CD1-CB 4.26Å; F415-L488 HydrophobicContact CD1-CD2 4.26Å; F415-L579 HydrophobicContact CD1-CD2 3.78Å; F415-L579 HydrophobicContact CD2-CD2 4.25Å; F415-L579 HydrophobicContact CE1-CD2 3.54Å; F415-L579 HydrophobicContact CE2-CD2 4.05Å; F415-L579 HydrophobicContact CG-CD2 4.13Å; F415-L579 HydrophobicContact CZ-CD2 3.69Å
416L95.9Very high89.8Confident2 Ų236.4 Ų36.41%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-86.5111.3168.9-61.2-174.7000107.8L414 M438 L440 I464 I485 C486 L488 L502 F506L414-L416 HydrophobicContact CD2-CD2 3.95Å; L414-L416 HydrophobicContact CG-CD2 4.14Å; L416-M438 HydrophobicContact CD2-CB 3.99Å; L416-M438 HydrophobicContact CD2-CG 4.36Å; L416-M438 HydrophobicContact CD2-SD 4.17Å; L416-L440 HydrophobicContact CB-CD1 4.2Å; L416-I464 HydrophobicContact CD1-CD1 4.29Å; L416-I464 HydrophobicContact CD1-CG1 4.41Å; L416-I464 HydrophobicContact CD1-CG2 4.47Å; L416-I464 HydrophobicContact CD2-CG1 4.29Å; L416-I485 HydrophobicContact CD1-CG2 4.28Å; L416-I485 HydrophobicContact CG-CG2 4.43Å; L416-C486 PolarHBondContact N-O 3.35Å; L416-L488 PolarHBondContact O-N 2.83Å; L416-L502 HydrophobicContact CB-CD1 4.44Å; L416-L502 HydrophobicContact CD1-CD2 3.9Å; L416-F506 HydrophobicContact CD1-CE2 3.9Å; L416-F506 HydrophobicContact CD1-CZ 3.74Å
417V93.3Very high90.1Very high1 Ų141.6 Ų41.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-111.4135.1-169.4-170.40000110.8F415 G419 A422 A426 I437 M438 P439 L440 L488F415-V417 HydrophobicContact CB-CG2 4.05Å; V417-G419 PolarHBondContact O-N 2.85Å; V417-A422 HydrophobicContact CG1-CB 3.64Å; V417-A426 HydrophobicContact CG2-CB 4.14Å; V417-I437 HydrophobicContact CG2-CG2 3.83Å; V417-M438 PolarHBondContact N-O 3.41Å; V417-P439 CarbonylContact O-C 3.43Å; V417-P439 WeakPolarHBondContact O-CA 3.4Å; V417-L440 PolarHBondContact O-N 3.22Å; V417-L488 WeakPolarHBondContact CA-O 3.39Å; V417-L488 HydrophobicContact CG1-CD2 4.44Å; V417-L488 HydrophobicContact CG2-CB 4.32Å; V417-L488 HydrophobicContact CG2-CD2 4.08Å
418E88.9Confident90.7Very high34 Ų3443.3 Ų43.316%0.15924%0.238CC..EExtended strand (participates in β ladder)trans-66.7115.4172.9-178.9178.2-175.700111.7A422 L488 D490 G495 I498E418-A422 WeakPolarHBondContact O-CB 3.39Å; E418-L488 PolarHBondContact N-O 2.83Å; E418-D490 PolarHBondContact OE2-N 2.9Å; E418-G495 WeakPolarHBondContact OE2-CA 3.47Å; E418-I498 HydrophobicContact CG-CD1 3.68Å; E418-I498 WeakPolarHBondContact OE1-CD1 3.46Å
419G86Confident91Very high24 Ų2440 Ų4025%0.24722%0.221CC..Hα-helixtrans74.8157.9171.200000115.8V417 S421 G423 L440V417-G419 PolarHBondContact O-N 2.85Å; G419-S421 VanDerWaalsContact C-N 3.26Å; G419-S421 PolarHBondContact O-N 3.03Å; G419-G423 PolarHBondContact O-N 3.2Å; G419-G423 VanDerWaalsContact O-N 3.07Å; G419-L440 VanDerWaalsContact CA-O 3.3Å; G419-L440 WeakPolarHBondContact CA-O 3.24Å; G419-L440 PolarHBondContact N-O 2.59Å
420D85.5Confident91.3Very high90 Ų9038.8 Ų38.848%0.48121%0.211SC..Hα-helixtrans-68-26.2-179.9-70.8-33.2000112.4G424 K441D420-G424 PolarHBondContact O-N 3.47Å; D420-K441 WeakPolarHBondContact OD2-CE 3.33Å; D420-K441 IonicContact OD2-NZ 3.87Å
421S84.8Confident91.5Very high91 Ų9134.1 Ų34.164%0.63619%0.186SC*.Hα-helixtrans-68.2-59.8-178.8-172.50000111.8G419 G423 G424 S425G419-S421 VanDerWaalsContact C-N 3.26Å; G419-S421 PolarHBondContact O-N 3.03Å; S421-G423 VanDerWaalsContact C-N 3.26Å; S421-G423 PolarHBondContact O-N 3.44Å; S421-G424 PolarHBondContact O-N 3.33Å; S421-G424 VanDerWaalsContact O-N 3.08Å; S421-S425 PolarHBondContact O-N 3.42Å
422A87.1Confident91.7Very high4 Ų440.7 Ų40.73%0.03321%0.211CC..Hα-helixtrans-64-35.4175.500000111V417 E418 G424 S425 A426 L566V417-A422 HydrophobicContact CG1-CB 3.64Å; E418-A422 WeakPolarHBondContact O-CB 3.39Å; A422-G424 VanDerWaalsContact C-N 3.27Å; A422-G424 PolarHBondContact O-N 3.01Å; A422-S425 PolarHBondContact O-N 3.43Å; A422-A426 VanDerWaalsContact O-CB 3.31Å; A422-A426 WeakPolarHBondContact O-CB 3.3Å; A422-A426 PolarHBondContact O-N 2.89Å; A422-L566 HydrophobicContact CB-CB 3.78Å; A422-L566 HydrophobicContact CB-CD1 4.28Å
423G90.1Very high91.5Very high2 Ų243.7 Ų43.72%0.02123%0.225CC..Hα-helixtrans-56.7-38.3171.700000113.5G419 S421 K427G419-G423 PolarHBondContact O-N 3.2Å; G419-G423 VanDerWaalsContact O-N 3.07Å; S421-G423 VanDerWaalsContact C-N 3.26Å; S421-G423 PolarHBondContact O-N 3.44Å; G423-K427 WeakPolarHBondContact O-CB 3.46Å; G423-K427 PolarHBondContact O-N 3.21Å
424G90.3Very high91.3Very high29 Ų2944.7 Ų44.730%0.29923%0.229SC..Hα-helixtrans-64.9-46.9174.300000113.1D420 S421 A422 K427 Q428D420-G424 PolarHBondContact O-N 3.47Å; S421-G424 PolarHBondContact O-N 3.33Å; S421-G424 VanDerWaalsContact O-N 3.08Å; A422-G424 VanDerWaalsContact C-N 3.27Å; A422-G424 PolarHBondContact O-N 3.01Å; G424-K427 PolarHBondContact O-N 2.97Å; G424-Q428 WeakPolarHBondContact O-CG 3.4Å; G424-Q428 PolarHBondContact O-N 3.29Å
425S91.1Very high91.2Very high20 Ų2044.9 Ų44.914%0.1423%0.23CC..Hα-helixtrans-63.7-45.9175.7-67.80000111.7S421 A422 K427 Q428 A429S421-S425 PolarHBondContact O-N 3.42Å; A422-S425 PolarHBondContact O-N 3.43Å; S425-K427 VanDerWaalsContact C-N 3.34Å; S425-K427 PolarHBondContact O-N 3.05Å; S425-Q428 PolarHBondContact O-N 2.89Å; S425-Q428 VanDerWaalsContact O-N 3.15Å; S425-A429 VanDerWaalsContact O-CB 3.28Å; S425-A429 WeakPolarHBondContact O-CB 3.22Å; S425-A429 PolarHBondContact O-N 2.9Å
426A92.9Very high91.2Very high0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-60.8-42.117700000111.7V417 A422 Q428 A429 R430 I437 L574V417-A426 HydrophobicContact CG2-CB 4.14Å; A422-A426 VanDerWaalsContact O-CB 3.31Å; A422-A426 WeakPolarHBondContact O-CB 3.3Å; A422-A426 PolarHBondContact O-N 2.89Å; A426-Q428 VanDerWaalsContact C-N 3.27Å; A426-Q428 PolarHBondContact O-N 2.85Å; A426-A429 PolarHBondContact O-N 2.89Å; A426-R430 WeakPolarHBondContact O-CB 3.46Å; A426-R430 PolarHBondContact O-N 2.68Å; A426-I437 HydrophobicContact CB-CD1 3.92Å; A426-I437 HydrophobicContact CB-CG1 4.34Å; A426-I437 HydrophobicContact CB-CG2 4.07Å; A426-L574 HydrophobicContact CB-CD2 3.96Å
427K93.1Very high91.2Very high123 Ų12344.8 Ų44.854%0.53523%0.229SC..Hα-helixtrans-61.7-33.4176.3-175.4177.3-180176.80113.2A402 G423 G424 S425 R430A402-K427 HydrophobicContact CB-CD 3.97Å; A402-K427 HydrophobicContact CB-CG 4.17Å; G423-K427 WeakPolarHBondContact O-CB 3.46Å; G423-K427 PolarHBondContact O-N 3.21Å; G424-K427 PolarHBondContact O-N 2.97Å; S425-K427 VanDerWaalsContact C-N 3.34Å; S425-K427 PolarHBondContact O-N 3.05Å; K427-R430 WeakPolarHBondContact O-CG 3.48Å
428Q92.3Very high91.3Very high145 Ų14544.8 Ų44.868%0.67823%0.229SC*.Hα-helixtrans-79-34175.9-68.9175.646.300112.4G424 S425 A426 P571G424-Q428 WeakPolarHBondContact O-CG 3.4Å; G424-Q428 PolarHBondContact O-N 3.29Å; S425-Q428 PolarHBondContact O-N 2.89Å; S425-Q428 VanDerWaalsContact O-N 3.15Å; A426-Q428 VanDerWaalsContact C-N 3.27Å; A426-Q428 PolarHBondContact O-N 2.85Å; Q428-P571 HydrophobicContact CB-CB 3.85Å; Q428-P571 HydrophobicContact CB-CG 3.9Å
429A92.7Very high91.5Very high4 Ų443.9 Ų43.93%0.03323%0.227CC..Hα-helixtrans-77.7-31.1-176.700000113.8S425 A426 P571 L574 R575 L579S425-A429 VanDerWaalsContact O-CB 3.28Å; S425-A429 WeakPolarHBondContact O-CB 3.22Å; S425-A429 PolarHBondContact O-N 2.9Å; A426-A429 PolarHBondContact O-N 2.89Å; A429-P571 HydrophobicContact CB-CB 4.15Å; A429-P571 WeakPolarHBondContact CB-O 3.34Å; A429-L574 HydrophobicContact CB-CB 4.19Å; A429-L574 HydrophobicContact CB-CD2 4.26Å; A429-L574 HydrophobicContact CB-CG 4.38Å; A429-R575 HydrophobicContact CB-CB 4.1Å; A429-R575 WeakPolarHBondContact O-CD 3.38Å; A429-R575 WeakPolarHBondContact O-CG 3.3Å; A429-L579 HydrophobicContact CB-CD1 3.52Å
430R93.2Very high91.8Very high39 Ų3942.9 Ų42.915%0.14722%0.215CC..SBendtrans-62.2157.9-171.278.3-173-172.6150.5-3114.7A402 D403 A426 K427 R432 Q435 I437 L579A402-R430 PolarHBondContact O-NH1 3.12Å; D403-R430 PolarHBondContact O-NH1 2.83Å; D403-R430 VanDerWaalsContact O-NH1 3.12Å; D403-R430 PolarHBondContact O-NH2 3.39Å; A426-R430 WeakPolarHBondContact O-CB 3.46Å; A426-R430 PolarHBondContact O-N 2.68Å; K427-R430 WeakPolarHBondContact O-CG 3.48Å; R430-R432 PolarHBondContact O-N 3.09Å; R430-Q435 HydrophobicContact CB-CB 4.03Å; R430-Q435 WeakPolarHBondContact CD-O 3.08Å; R430-Q435 PolarHBondContact NH1-O 2.89Å; R430-I437 HydrophobicContact CB-CD1 4.28Å; R430-I437 HydrophobicContact CB-CG1 4.29Å; R430-I437 VanDerWaalsContact CD-CG1 3.49Å; R430-I437 HydrophobicContact CG-CG1 4.48Å; R430-L579 HydrophobicContact CB-CD1 4.41Å
431D92.5Very high91.8Very high48 Ų4843.9 Ų43.926%0.25722%0.215SC..  trans-84.2103.6157.3-162.6-31.6000110.7E433 Y434 Q435D431-E433 PolarHBondContact O-N 2.85Å; D431-E433 VanDerWaalsContact OD1-CB 3.24Å; D431-E433 WeakPolarHBondContact OD1-CB 3.29Å; D431-E433 PolarHBondContact OD1-N 3.45Å; D431-Y434 HydrophobicContact CB-CD1 4.02Å; D431-Y434 HydrophobicContact CB-CE1 3.44Å; D431-Y434 VanDerWaalsContact CB-CE1 3.44Å; D431-Y434 VanDerWaalsContact CG-CE1 3.48Å; D431-Y434 PolarHBondContact O-N 3.33Å; D431-Y434 WeakPolarHBondContact OD2-CE1 3.5Å; D431-Q435 WeakPolarHBondContact O-CB 3.42Å; D431-Q435 PolarHBondContact O-N 3.42Å
432R91.6Very high91.5Very high191 Ų19142.1 Ų42.172%0.72121%0.212SC*.THydrogen-bonded Turntrans-56.4-17.6177.762.9178.2160.7-170.7-8.5114.3C404 T405 R430C404-R432 WeakPolarHBondContact CA-O 3.48Å; T405-R432 PolarHBondContact N-O 3.4Å; T405-R432 VanDerWaalsContact N-O 3.16Å; R430-R432 PolarHBondContact O-N 3.09Å
433E89.8Confident91.4Very high62 Ų6247.3 Ų47.329%0.2923%0.233SC..THydrogen-bonded Turntrans-63.3-47.3177.7-172.4-178.5138.500110.4R379 T405 A406 R411 D431R379-E433 IonicContact NH1-OE1 2.85Å; T405-E433 PolarHBondContact N-O 3.29Å; T405-E433 VanDerWaalsContact N-O 3.15Å; T405-E433 WeakPolarHBondContact OG1-CA 3.22Å; T405-E433 PolarHBondContact OG1-O 3.34Å; A406-E433 WeakPolarHBondContact CB-O 3.13Å; A406-E433 PolarHBondContact N-O 3.2Å; R411-E433 IonicContact CZ-OE1 3.39Å; R411-E433 IonicContact NH1-OE1 2.85Å; R411-E433 PolarHBondContact NH1-OE1 2.95Å; R411-E433 IonicContact NH2-OE1 2.73Å; R411-E433 PolarHBondContact NH2-OE1 2.93Å; D431-E433 PolarHBondContact O-N 2.85Å; D431-E433 VanDerWaalsContact OD1-CB 3.24Å; D431-E433 WeakPolarHBondContact OD1-CB 3.29Å; D431-E433 PolarHBondContact OD1-N 3.45Å
434Y92.5Very high91.3Very high30 Ų3047.6 Ų47.612%0.11824%0.235CC..THydrogen-bonded Turntrans-132.4-7-17065.4-90.5000115.2C404 R411 T412 E413 D431 P581C404-Y434 VanDerWaalsContact CB-C 3.46Å; R411-Y434 WeakPolarHBondContact O-CB 3.33Å; R411-Y434 VanDerWaalsContact O-CD2 3.24Å; R411-Y434 WeakPolarHBondContact O-CD2 3.22Å; T412-Y434 WeakPolarHBondContact CA-O 3.35Å; E413-Y434 HydrophobicContact CG-CD2 4.2Å; E413-Y434 PolarHBondContact N-O 2.94Å; D431-Y434 HydrophobicContact CB-CD1 4.02Å; D431-Y434 HydrophobicContact CB-CE1 3.44Å; D431-Y434 VanDerWaalsContact CB-CE1 3.44Å; D431-Y434 VanDerWaalsContact CG-CE1 3.48Å; D431-Y434 PolarHBondContact O-N 3.33Å; D431-Y434 WeakPolarHBondContact OD2-CE1 3.5Å; Y434-P581 HydrophobicContact CE2-CG 4.23Å; Y434-P581 WeakPolarHBondContact OH-CD 3.13Å; Y434-P581 WeakPolarHBondContact OH-CG 3.33Å
435Q96.1Very high91.2Very high3 Ų350.2 Ų50.21%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-107.2117.5-179.1-58.8-175.5-44.900111.6E413 F415 R430 D431 L579E413-Q435 HydrophobicContact CB-CG 4.45Å; E413-Q435 CarbonylContact O-C 3.58Å; E413-Q435 WeakPolarHBondContact O-CA 3.22Å; E413-Q435 PolarHBondContact OE2-NE2 3.01Å; F415-Q435 HydrophobicContact CE2-CB 4.45Å; F415-Q435 HydrophobicContact CE2-CG 4.28Å; R430-Q435 HydrophobicContact CB-CB 4.03Å; R430-Q435 WeakPolarHBondContact CD-O 3.08Å; R430-Q435 PolarHBondContact NH1-O 2.89Å; D431-Q435 WeakPolarHBondContact O-CB 3.42Å; D431-Q435 PolarHBondContact O-N 3.42Å; Q435-L579 PolarHBondContact NE2-O 3.43Å
436A96.3Very high91.3Very high0 Ų051.9 Ų51.90%025%0.248CC..EExtended strand (participates in β ladder)trans-92.7146.8169.300000110.7L401 A402 E413 L414 F415 Y482L401-A436 HydrophobicContact CD1-CB 4.28Å; A402-A436 CarbonylContact O-C 3.55Å; A402-A436 VanDerWaalsContact O-CA 3.24Å; A402-A436 WeakPolarHBondContact O-CA 3.47Å; E413-A436 PolarHBondContact O-N 3.11Å; L414-A436 HydrophobicContact CD1-CB 3.81Å; F415-A436 PolarHBondContact N-O 2.74Å; A436-Y482 HydrophobicContact CB-CD1 4.22Å; A436-Y482 HydrophobicContact CB-CE1 3.45Å; A436-Y482 VanDerWaalsContact CB-CE1 3.45Å
437I95.8Very high91.2Very high1 Ų151.9 Ų51.91%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-126.6129.4178.9-56-62000108.3A402 F415 V417 A426 R430A402-I437 HydrophobicContact CB-CB 4.4Å; A402-I437 PolarHBondContact N-O 3.35Å; A402-I437 PolarHBondContact O-N 3.19Å; F415-I437 HydrophobicContact CB-CD1 3.72Å; F415-I437 HydrophobicContact CD2-CD1 4.1Å; F415-I437 HydrophobicContact CG-CD1 4.15Å; V417-I437 HydrophobicContact CG2-CG2 3.83Å; A426-I437 HydrophobicContact CB-CD1 3.92Å; A426-I437 HydrophobicContact CB-CG1 4.34Å; A426-I437 HydrophobicContact CB-CG2 4.07Å; R430-I437 HydrophobicContact CB-CD1 4.28Å; R430-I437 HydrophobicContact CB-CG1 4.29Å; R430-I437 VanDerWaalsContact CD-CG1 3.49Å; R430-I437 HydrophobicContact CG-CG1 4.48Å
438M95Very high91.2Very high0 Ų046.7 Ų46.70%023%0.226CC..EExtended strand (participates in β ladder)trans-128.2103.8175-175.8172.9166.400110.1L401 L414 F415 L416 V417 L440 D463 I464 A467L401-M438 HydrophobicContact CD1-CB 3.94Å; L414-M438 HydrophobicContact CD1-CB 4Å; F415-M438 PolarHBondContact O-N 2.85Å; L416-M438 HydrophobicContact CD2-CB 3.99Å; L416-M438 HydrophobicContact CD2-CG 4.36Å; L416-M438 HydrophobicContact CD2-SD 4.17Å; V417-M438 PolarHBondContact N-O 3.41Å; M438-L440 HydrophobicContact CE-CD2 4.06Å; M438-L440 HydrophobicContact CG-CD2 4.47Å; M438-D463 HydrophobicContact CE-CB 3.42Å; M438-D463 VanDerWaalsContact CE-CB 3.42Å; M438-I464 HydrophobicContact CE-CG1 3.98Å; M438-I464 HydrophobicContact SD-CG1 4.43Å; M438-A467 HydrophobicContact SD-CB 3.65Å
439P93.7Very high91Very high16 Ų1644.5 Ų44.510%0.10422%0.215CC..EExtended strand (participates in β ladder)trans-70.7134.2173.7-15.430.3000111.3K400 V417K400-P439 WeakPolarHBondContact CD-O 3.4Å; K400-P439 VanDerWaalsContact O-CD 3.27Å; K400-P439 WeakPolarHBondContact O-CD 3.4Å; V417-P439 CarbonylContact O-C 3.43Å; V417-P439 WeakPolarHBondContact O-CA 3.4Å
440L91.7Very high90.8Very high2 Ų246 Ų461%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-102.5139.3176.7-57.6-179.1000110L416 V417 G419 M438 I444 I464 L502L416-L440 HydrophobicContact CB-CD1 4.2Å; V417-L440 PolarHBondContact O-N 3.22Å; G419-L440 VanDerWaalsContact CA-O 3.3Å; G419-L440 WeakPolarHBondContact CA-O 3.24Å; G419-L440 PolarHBondContact N-O 2.59Å; M438-L440 HydrophobicContact CE-CD2 4.06Å; M438-L440 HydrophobicContact CG-CD2 4.47Å; L440-I444 HydrophobicContact CD1-CD1 3.59Å; L440-I444 HydrophobicContact CD1-CG1 4.35Å; L440-I464 HydrophobicContact CD1-CD1 4.32Å; L440-I464 HydrophobicContact CD2-CD1 4.02Å; L440-I464 HydrophobicContact CD2-CG1 4.12Å; L440-L502 HydrophobicContact CD1-CD1 3.96Å; L440-L502 HydrophobicContact CD1-CD2 4.07Å; L440-L502 HydrophobicContact CD1-CG 4.49Å
441K84.7Confident90.2Very high111 Ų11146.6 Ų46.648%0.48323%0.234SC..  trans-99.7115-178.6-70.9-172178.2-1640111.2D420D420-K441 WeakPolarHBondContact OD2-CE 3.33Å; D420-K441 IonicContact OD2-NZ 3.87Å
442G80.2Confident89.6Confident54 Ų5445.2 Ų45.256%0.55723%0.229SC*.SBendtrans68.1-166.8177.700000112.9
443K83.4Confident88.7Confident113 Ų11343.3 Ų43.349%0.49123%0.233SC..SBendtrans-74.3134.4176.5-67.4178.41771710109.8D494 I498K443-D494 WeakPolarHBondContact CE-OD1 3.26Å; K443-D494 IonicContact NZ-OD1 3.33Å; K443-D494 PolarHBondContact NZ-OD1 2.7Å; K443-I498 HydrophobicContact CG-CD1 4.44Å; K443-I498 HydrophobicContact CG-CG1 4.19Å
444I88Confident88.3Confident9 Ų946.2 Ų46.25%0.04625%0.246CC..PPolyproline II helixtrans-70.3153.4176-53.6174.9000108.9L440 N446 V461 I464 L501 L502L440-I444 HydrophobicContact CD1-CD1 3.59Å; L440-I444 HydrophobicContact CD1-CG1 4.35Å; I444-N446 PolarHBondContact O-N 2.56Å; I444-V461 HydrophobicContact CG2-CG2 4.14Å; I444-I464 HydrophobicContact CD1-CD1 4.5Å; I444-L501 WeakPolarHBondContact O-CD1 3.23Å; I444-L502 HydrophobicContact CD1-CD1 4.1Å; I444-L502 HydrophobicContact CD1-CD2 3.18Å; I444-L502 HydrophobicContact CD1-CG 3.42Å; I444-L502 VanDerWaalsContact CD1-CG 3.42Å
445L89.9Confident88Confident83 Ų8344.8 Ų44.844%0.43524%0.241SC..PPolyproline II helixtrans-56.3133.6170.3179.964.4000110T447L445-T447 HydrophobicContact CB-CG2 4.45Å; L445-T447 HydrophobicContact CG-CG2 4.45Å; L445-T447 VanDerWaalsContact O-CG2 3.26Å; L445-T447 WeakPolarHBondContact O-CG2 3.41Å; L445-T447 PolarHBondContact O-N 3.16Å; L445-T447 VanDerWaalsContact O-N 3.17Å
446N92.3Very high87.4Confident55 Ų5547.6 Ų47.629%0.29426%0.255SS..  trans-71109.2165.9178.9-0000108.5I444 W448 L501 L607I444-N446 PolarHBondContact O-N 2.56Å; N446-W448 WeakPolarHBondContact OD1-CB 3.25Å; N446-W448 PolarHBondContact OD1-N 3.4Å; N446-W448 VanDerWaalsContact OD1-N 3.17Å; N446-L501 HydrophobicContact CB-CD2 3.79Å; N446-L607 PolarHBondContact ND2-O 2.79Å
447T91.6Very high86.7Confident1 Ų152.1 Ų52.11%0.00629%0.293CS..  trans-94.7-3.7-172.769.40000113.5L445 E449 V450 V455 V461 L505 H509L445-T447 HydrophobicContact CB-CG2 4.45Å; L445-T447 HydrophobicContact CG-CG2 4.45Å; L445-T447 VanDerWaalsContact O-CG2 3.26Å; L445-T447 WeakPolarHBondContact O-CG2 3.41Å; L445-T447 PolarHBondContact O-N 3.16Å; L445-T447 VanDerWaalsContact O-N 3.17Å; T447-E449 VanDerWaalsContact C-N 3.28Å; T447-E449 PolarHBondContact O-N 3.09Å; T447-V450 WeakPolarHBondContact O-CB 3.26Å; T447-V450 PolarHBondContact O-N 2.83Å; T447-V455 VanDerWaalsContact CB-CG2 3.48Å; T447-V455 HydrophobicContact CG2-CG2 3.24Å; T447-V461 HydrophobicContact CG2-CG2 4.2Å; T447-L505 HydrophobicContact CG2-CD1 3.97Å; T447-H509 VanDerWaalsContact CB-NE2 3.3Å; T447-H509 WeakPolarHBondContact CB-NE2 3.22Å; T447-H509 PolarHBondContact O-NE2 3.18Å; T447-H509 VanDerWaalsContact O-NE2 3.16Å; T447-H509 PolarHBondContact OG1-CD2 3.43Å; T447-H509 PolarHBondContact OG1-NE2 3.25Å; T447-H509 VanDerWaalsContact OG1-NE2 3.08Å
448W92Very high86.3Confident14 Ų1453.1 Ų53.15%0.05330%0.3CS..THydrogen-bonded Turntrans-58.8-38.1-169.1-169.4-97.6000113.8N446 A504 V507 K508 D600 M603 D604 L607N446-W448 WeakPolarHBondContact OD1-CB 3.25Å; N446-W448 PolarHBondContact OD1-N 3.4Å; N446-W448 VanDerWaalsContact OD1-N 3.17Å; W448-A504 HydrophobicContact CE3-CB 4.21Å; W448-V507 HydrophobicContact CH2-CG1 4.31Å; W448-V507 HydrophobicContact CZ3-CG1 4.15Å; W448-K508 HydrophobicContact CE3-CB 3.85Å; W448-K508 HydrophobicContact CE3-CD 4.26Å; W448-K508 HydrophobicContact CE3-CG 4.25Å; W448-K508 HydrophobicContact CH2-CD 4.33Å; W448-K508 HydrophobicContact CZ3-CB 3.78Å; W448-K508 HydrophobicContact CZ3-CD 4.15Å; W448-K508 HydrophobicContact CZ3-CG 4.39Å; W448-D600 HydrophobicContact CZ2-CB 4.47Å; W448-D600 WeakPolarHBondContact CZ2-O 3.16Å; W448-M603 HydrophobicContact CD2-CB 4.15Å; W448-M603 HydrophobicContact CE3-CB 3.97Å; W448-M603 HydrophobicContact CH2-CB 3.23Å; W448-M603 HydrophobicContact CH2-CG 3.89Å; W448-M603 HydrophobicContact CZ2-CB 3.41Å; W448-M603 VanDerWaalsContact CZ2-CB 3.41Å; W448-M603 HydrophobicContact CZ3-CB 3.52Å; W448-M603 HydrophobicContact CZ3-CG 3.96Å; W448-D604 HydrophobicContact CZ2-CB 4.35Å; W448-D604 PolarHBondContact NE1-OD1 2.87Å; W448-L607 HydrophobicContact CB-CB 3.84Å; W448-L607 HydrophobicContact CB-CD1 4.22Å; W448-L607 HydrophobicContact CD2-CD1 4.42Å; W448-L607 HydrophobicContact CE3-CD1 4.31Å; W448-L607 HydrophobicContact CG-CB 4.03Å; W448-L607 HydrophobicContact CG-CD1 4.39Å
449E88.5Confident86Confident98 Ų9858.8 Ų58.846%0.45833%0.326SS..THydrogen-bonded Turntrans-94.53.3176.5-68.7-177.7121.300113.5T447 A608 K609T447-E449 VanDerWaalsContact C-N 3.28Å; T447-E449 PolarHBondContact O-N 3.09Å; E449-A608 HydrophobicContact CG-CB 4.16Å; E449-K609 VanDerWaalsContact CD-N 3.26Å; E449-K609 PolarHBondContact OE1-N 3.43Å; E449-K609 WeakPolarHBondContact OE2-CB 3.49Å; E449-K609 PolarHBondContact OE2-N 2.79Å
450V88.1Confident85.8Confident35 Ų3559.3 Ų59.321%0.21233%0.328CS..SBendtrans-96.8139.4179.7-174.80000108.5T447 E454 V455 H509T447-V450 WeakPolarHBondContact O-CB 3.26Å; T447-V450 PolarHBondContact O-N 2.83Å; V450-E454 HydrophobicContact CG1-CB 3.62Å; V450-V455 HydrophobicContact CG1-CB 4.4Å; V450-H509 PolarHBondContact O-CE1 3.34Å; V450-H509 VanDerWaalsContact O-CE1 3.26Å
451S80Confident85.8Confident52 Ų5259.2 Ų59.236%0.36433%0.327SS..  trans-70.6152.8175.463.10000111.2D453 E454 V455S451-D453 PolarHBondContact O-N 3.49Å; S451-E454 PolarHBondContact O-N 3.4Å; S451-E454 VanDerWaalsContact OG-CD 3.26Å; S451-E454 VanDerWaalsContact OG-CG 3.27Å; S451-E454 WeakPolarHBondContact OG-CG 3.42Å; S451-E454 PolarHBondContact OG-OE2 3.39Å; S451-V455 PolarHBondContact O-N 2.96Å
452S80.6Confident85.9Confident20 Ų2057.6 Ų57.614%0.1432%0.321CS..Hα-helixtrans-58-29.7178.1-630000113V455 H509S452-V455 WeakPolarHBondContact O-CG1 3.22Å; S452-H509 PolarHBondContact OG-ND1 2.9Å
453D73.3Confident86.5Confident151 Ų15155.8 Ų55.881%0.80730%0.298SS*.Hα-helixtrans-69.5-33.9176.1-65.6-30.6000113S451S451-D453 PolarHBondContact O-N 3.49Å
454E80.8Confident86.9Confident123 Ų12350.4 Ų50.458%0.57528%0.275SS*.Hα-helixtrans-88.8-20.6-177.4-69.9170.6150.400112.4V450 S451 L456 A457V450-E454 HydrophobicContact CG1-CB 3.62Å; S451-E454 PolarHBondContact O-N 3.4Å; S451-E454 VanDerWaalsContact OG-CD 3.26Å; S451-E454 VanDerWaalsContact OG-CG 3.27Å; S451-E454 WeakPolarHBondContact OG-CG 3.42Å; S451-E454 PolarHBondContact OG-OE2 3.39Å; E454-L456 PolarHBondContact O-N 3.07Å; E454-A457 WeakPolarHBondContact O-CB 3.46Å; E454-A457 PolarHBondContact O-N 2.84Å
455V85.5Confident87Confident0 Ų050.1 Ų50.10%027%0.274CS..Hα-helixtrans-64.5-31.3-174.2890000112.6T447 V450 S451 S452 A457 S458 V461 P472 L505T447-V455 VanDerWaalsContact CB-CG2 3.48Å; T447-V455 HydrophobicContact CG2-CG2 3.24Å; V450-V455 HydrophobicContact CG1-CB 4.4Å; S451-V455 PolarHBondContact O-N 2.96Å; S452-V455 WeakPolarHBondContact O-CG1 3.22Å; V455-A457 PolarHBondContact O-N 2.87Å; V455-S458 WeakPolarHBondContact O-CB 3.29Å; V455-S458 PolarHBondContact O-N 3.33Å; V455-S458 VanDerWaalsContact O-N 3.12Å; V455-V461 HydrophobicContact CB-CG1 4.46Å; V455-V461 HydrophobicContact CG1-CG1 3.88Å; V455-V461 HydrophobicContact CG2-CG1 3.97Å; V455-V461 HydrophobicContact CG2-CG2 4.34Å; V455-P472 HydrophobicContact CG1-CB 3.98Å; V455-P472 HydrophobicContact CG1-CG 3.65Å; V455-L505 HydrophobicContact CG2-CD1 4.38Å
456L83.5Confident87Confident61 Ų6147.1 Ų47.132%0.31926%0.259SS..THydrogen-bonded Turntrans-67.6-11.3176.8-68.4176000113.2E454 S458 P472E454-L456 PolarHBondContact O-N 3.07Å; L456-S458 PolarHBondContact O-N 2.8Å; L456-P472 HydrophobicContact CD1-CG 4.39Å; L456-P472 HydrophobicContact CD2-CG 3.71Å; L456-P472 HydrophobicContact CG-CG 3.91Å
457A81.7Confident87Confident95 Ų9544.5 Ų44.579%0.78525%0.245SC*.THydrogen-bonded Turntrans-67.3-20.9171.200000112.4E454 V455E454-A457 WeakPolarHBondContact O-CB 3.46Å; E454-A457 PolarHBondContact O-N 2.84Å; V455-A457 PolarHBondContact O-N 2.87Å
458S87.9Confident87.1Confident23 Ų2344.5 Ų44.516%0.16125%0.245CC..SBendtrans-79.2120.2172.1177.80000110.3V455 L456 E460 V461 H462V455-S458 WeakPolarHBondContact O-CB 3.29Å; V455-S458 PolarHBondContact O-N 3.33Å; V455-S458 VanDerWaalsContact O-N 3.12Å; L456-S458 PolarHBondContact O-N 2.8Å; S458-E460 VanDerWaalsContact C-N 3.27Å; S458-E460 PolarHBondContact O-N 2.79Å; S458-V461 PolarHBondContact O-N 3.4Å; S458-V461 VanDerWaalsContact O-N 3.09Å; S458-H462 WeakPolarHBondContact O-CB 3.32Å; S458-H462 PolarHBondContact O-N 3.12Å
459Q88.4Confident87Confident119 Ų11945 Ų4556%0.55625%0.254SS*.Hα-helixtrans-56.7-39.9-179.5-170.565.95500112.5D463Q459-D463 PolarHBondContact NE2-OD1 2.89Å; Q459-D463 VanDerWaalsContact O-CB 3.27Å; Q459-D463 WeakPolarHBondContact O-CB 3.49Å; Q459-D463 PolarHBondContact O-N 2.99Å
460E90Very high87Confident27 Ų2740.5 Ų40.513%0.12623%0.234CC..Hα-helixtrans-66.6-39179.2-59.4-62.3150.600111.5K400 S458 D463 I464K400-E460 IonicContact NZ-OE1 3.91Å; K400-E460 PolarHBondContact NZ-OE1 2.57Å; K400-E460 IonicContact NZ-OE2 3.82Å; K400-E460 PolarHBondContact NZ-OE2 2.7Å; S458-E460 VanDerWaalsContact C-N 3.27Å; S458-E460 PolarHBondContact O-N 2.79Å; E460-D463 PolarHBondContact O-N 3.5Å; E460-I464 WeakPolarHBondContact O-CD1 3.41Å; E460-I464 VanDerWaalsContact O-CG1 3.23Å; E460-I464 WeakPolarHBondContact O-CG1 3.26Å; E460-I464 PolarHBondContact O-N 3.13Å
461V90.7Very high86.9Confident0 Ų044 Ų440%025%0.251CS..Hα-helixtrans-72.5-42.9179179.30000110.9I444 T447 V455 S458 D463 I464 S465 L505I444-V461 HydrophobicContact CG2-CG2 4.14Å; T447-V461 HydrophobicContact CG2-CG2 4.2Å; V455-V461 HydrophobicContact CB-CG1 4.46Å; V455-V461 HydrophobicContact CG1-CG1 3.88Å; V455-V461 HydrophobicContact CG2-CG1 3.97Å; V455-V461 HydrophobicContact CG2-CG2 4.34Å; S458-V461 PolarHBondContact O-N 3.4Å; S458-V461 VanDerWaalsContact O-N 3.09Å; V461-D463 VanDerWaalsContact C-N 3.31Å; V461-D463 PolarHBondContact O-N 3.08Å; V461-I464 PolarHBondContact O-N 3.07Å; V461-S465 WeakPolarHBondContact O-CB 3.33Å; V461-S465 PolarHBondContact O-N 3.41Å; V461-L505 HydrophobicContact CG1-CD1 3.77Å; V461-L505 HydrophobicContact CG1-CD2 4.46Å; V461-L505 HydrophobicContact CG2-CD1 4.14Å; V461-L505 HydrophobicContact CG2-CD2 4.34Å
462H88.3Confident87.1Confident76 Ų7642.2 Ų42.235%0.35224%0.238SC..Hα-helixtrans-55.4-48.3171.5172.2-81.9000111S458 I464 S465 V466S458-H462 WeakPolarHBondContact O-CB 3.32Å; S458-H462 PolarHBondContact O-N 3.12Å; H462-I464 VanDerWaalsContact C-N 3.33Å; H462-I464 PolarHBondContact O-N 2.93Å; H462-S465 PolarHBondContact O-N 2.76Å; H462-V466 WeakPolarHBondContact O-CG2 3.31Å; H462-V466 PolarHBondContact O-N 2.66Å
463D91.2Very high87.3Confident16 Ų1647.2 Ų47.29%0.08626%0.263CS..Hα-helixtrans-63.8-39.5179.7-71.1-7.1000111.4P398 M438 Q459 E460 V461 V466 A467P398-D463 HydrophobicContact CB-CB 3.82Å; P398-D463 HydrophobicContact CG-CB 3.66Å; P398-D463 VanDerWaalsContact CG-O 3.24Å; P398-D463 WeakPolarHBondContact CG-O 3.44Å; M438-D463 HydrophobicContact CE-CB 3.42Å; M438-D463 VanDerWaalsContact CE-CB 3.42Å; Q459-D463 PolarHBondContact NE2-OD1 2.89Å; Q459-D463 VanDerWaalsContact O-CB 3.27Å; Q459-D463 WeakPolarHBondContact O-CB 3.49Å; Q459-D463 PolarHBondContact O-N 2.99Å; E460-D463 PolarHBondContact O-N 3.5Å; V461-D463 VanDerWaalsContact C-N 3.31Å; V461-D463 PolarHBondContact O-N 3.08Å; D463-V466 PolarHBondContact O-N 3.26Å; D463-A467 VanDerWaalsContact O-CB 3.25Å; D463-A467 WeakPolarHBondContact O-CB 3.49Å; D463-A467 PolarHBondContact O-N 3.38Å
464I93Very high87.9Confident0 Ų041.8 Ų41.80%024%0.237CC..Hα-helixtrans-61.8-48.2175.2-72.7164.6000110.1L416 M438 L440 I444 E460 V461 H462 V466 A467 I468 L502 L505 F506L416-I464 HydrophobicContact CD1-CD1 4.29Å; L416-I464 HydrophobicContact CD1-CG1 4.41Å; L416-I464 HydrophobicContact CD1-CG2 4.47Å; L416-I464 HydrophobicContact CD2-CG1 4.29Å; M438-I464 HydrophobicContact CE-CG1 3.98Å; M438-I464 HydrophobicContact SD-CG1 4.43Å; L440-I464 HydrophobicContact CD1-CD1 4.32Å; L440-I464 HydrophobicContact CD2-CD1 4.02Å; L440-I464 HydrophobicContact CD2-CG1 4.12Å; I444-I464 HydrophobicContact CD1-CD1 4.5Å; E460-I464 WeakPolarHBondContact O-CD1 3.41Å; E460-I464 VanDerWaalsContact O-CG1 3.23Å; E460-I464 WeakPolarHBondContact O-CG1 3.26Å; E460-I464 PolarHBondContact O-N 3.13Å; V461-I464 PolarHBondContact O-N 3.07Å; H462-I464 VanDerWaalsContact C-N 3.33Å; H462-I464 PolarHBondContact O-N 2.93Å; I464-V466 PolarHBondContact O-N 3.48Å; I464-A467 WeakPolarHBondContact O-CB 3.45Å; I464-A467 PolarHBondContact O-N 3.28Å; I464-A467 VanDerWaalsContact O-N 3.15Å; I464-I468 HydrophobicContact CG2-CD1 4.41Å; I464-I468 HydrophobicContact CG2-CG2 4.43Å; I464-I468 WeakPolarHBondContact O-CG1 3.22Å; I464-I468 WeakPolarHBondContact O-CG2 3.31Å; I464-I468 PolarHBondContact O-N 2.95Å; I464-L502 HydrophobicContact CD1-CD2 4.01Å; I464-L505 HydrophobicContact CD1-CD2 4.09Å; I464-F506 HydrophobicContact CG2-CZ 4.41Å
465S90.7Very high88.1Confident3 Ų342.6 Ų42.62%0.02125%0.245CC..Hα-helixtrans-58-46.7178.3174.20000112V461 H462 A467 I468 G469 I470V461-S465 WeakPolarHBondContact O-CB 3.33Å; V461-S465 PolarHBondContact O-N 3.41Å; H462-S465 PolarHBondContact O-N 2.76Å; S465-A467 VanDerWaalsContact C-N 3.35Å; S465-A467 PolarHBondContact O-N 2.74Å; S465-I468 VanDerWaalsContact O-CG1 3.31Å; S465-I468 WeakPolarHBondContact O-CG1 3.19Å; S465-I468 PolarHBondContact O-N 2.98Å; S465-G469 PolarHBondContact O-N 3.07Å; S465-I470 WeakPolarHBondContact CB-O 3.47Å; S465-I470 PolarHBondContact O-N 3.44Å; S465-I470 PolarHBondContact OG-O 3.1Å
466V89.8Confident88.2Confident21 Ų2146.9 Ų46.913%0.12727%0.269CS..Hα-helixtrans-65.3-38.5175.7177.30000111.5P395 L397 P398 H462 D463 I464P395-V466 HydrophobicContact CB-CG1 4.06Å; P395-V466 HydrophobicContact CB-CG2 4.49Å; P395-V466 HydrophobicContact CG-CG1 4.34Å; L397-V466 HydrophobicContact CD2-CG1 4.43Å; P398-V466 HydrophobicContact CG-CB 4.32Å; P398-V466 HydrophobicContact CG-CG1 4.41Å; H462-V466 WeakPolarHBondContact O-CG2 3.31Å; H462-V466 PolarHBondContact O-N 2.66Å; D463-V466 PolarHBondContact O-N 3.26Å; I464-V466 PolarHBondContact O-N 3.48Å
467A92.1Very high88.5Confident0 Ų045.6 Ų45.60%026%0.262CS..Hα-helixtrans-64.3-4917800000111.4P398 L401 L414 M438 D463 I464 S465 G469 R481 Y482P398-A467 HydrophobicContact CG-CB 4.49Å; L401-A467 HydrophobicContact CD1-CB 4.45Å; L401-A467 HydrophobicContact CD2-CB 4.1Å; L414-A467 HydrophobicContact CD2-CB 4.36Å; M438-A467 HydrophobicContact SD-CB 3.65Å; D463-A467 VanDerWaalsContact O-CB 3.25Å; D463-A467 WeakPolarHBondContact O-CB 3.49Å; D463-A467 PolarHBondContact O-N 3.38Å; I464-A467 WeakPolarHBondContact O-CB 3.45Å; I464-A467 PolarHBondContact O-N 3.28Å; I464-A467 VanDerWaalsContact O-N 3.15Å; S465-A467 VanDerWaalsContact C-N 3.35Å; S465-A467 PolarHBondContact O-N 2.74Å; A467-G469 VanDerWaalsContact C-N 3.31Å; A467-G469 PolarHBondContact O-N 3.28Å; A467-R481 WeakPolarHBondContact O-CD 3.42Å; A467-R481 PolarHBondContact O-NH1 2.97Å; A467-Y482 WeakPolarHBondContact O-CE2 3.31Å
468I93.1Very high88.7Confident0 Ų044.7 Ų44.70%025%0.249CC..Hα-helixtrans-72.7-25.7-179.767-172.2000112.6L414 I464 S465 I470 R481 I485 F510 L513L414-I468 HydrophobicContact CD2-CG2 3.79Å; I464-I468 HydrophobicContact CG2-CD1 4.41Å; I464-I468 HydrophobicContact CG2-CG2 4.43Å; I464-I468 WeakPolarHBondContact O-CG1 3.22Å; I464-I468 WeakPolarHBondContact O-CG2 3.31Å; I464-I468 PolarHBondContact O-N 2.95Å; S465-I468 VanDerWaalsContact O-CG1 3.31Å; S465-I468 WeakPolarHBondContact O-CG1 3.19Å; S465-I468 PolarHBondContact O-N 2.98Å; I468-I470 HydrophobicContact CD1-CB 4.11Å; I468-I470 HydrophobicContact CG1-CB 4.01Å; I468-I470 HydrophobicContact CG1-CG1 4.41Å; I468-R481 PolarHBondContact O-N 3.37Å; I468-I485 HydrophobicContact CB-CD1 4.28Å; I468-I485 HydrophobicContact CG2-CD1 3.74Å; I468-I485 HydrophobicContact CG2-CG1 4.25Å; I468-F510 HydrophobicContact CD1-CD1 3.79Å; I468-F510 HydrophobicContact CD1-CE1 3.6Å; I468-F510 HydrophobicContact CD1-CE2 4.49Å; I468-F510 HydrophobicContact CD1-CG 4.33Å; I468-F510 HydrophobicContact CD1-CZ 3.97Å; I468-L513 HydrophobicContact CD1-CD1 3.99Å
469G89.7Confident88.7Confident24 Ų2449.9 Ų49.925%0.24727%0.271CS..THydrogen-bonded Turntrans82.923-178.500000113.9S465 A467 Q479S465-G469 PolarHBondContact O-N 3.07Å; A467-G469 VanDerWaalsContact C-N 3.31Å; A467-G469 PolarHBondContact O-N 3.28Å; G469-Q479 CarbonylContact O-C 3.55Å; G469-Q479 WeakPolarHBondContact O-CB 3.44Å
470I88.6Confident88.8Confident5 Ų544.9 Ų44.93%0.02625%0.248CC..  trans-131.1132.8-176.9-56.4-66.5000107.9S465 I468 D476 L477 L480 F510S465-I470 WeakPolarHBondContact CB-O 3.47Å; S465-I470 PolarHBondContact O-N 3.44Å; S465-I470 PolarHBondContact OG-O 3.1Å; I468-I470 HydrophobicContact CD1-CB 4.11Å; I468-I470 HydrophobicContact CG1-CB 4.01Å; I468-I470 HydrophobicContact CG1-CG1 4.41Å; I470-D476 VanDerWaalsContact CD1-O 3.31Å; I470-D476 WeakPolarHBondContact CD1-O 3.43Å; I470-L477 HydrophobicContact CD1-CD2 4.16Å; I470-L480 HydrophobicContact CD1-CB 4.14Å; I470-L480 HydrophobicContact CG1-CB 4.41Å; I470-L480 HydrophobicContact CG1-CD1 4.05Å; I470-F510 HydrophobicContact CG2-CD1 4.11Å; I470-F510 HydrophobicContact CG2-CE1 4.46Å; I470-F510 WeakPolarHBondContact O-CE1 3.17Å
471D85.5Confident88.9Confident107 Ų10746.7 Ų46.757%0.57225%0.254SS*.  trans-80.6147.6173.3-67.8-33.1000110.3S474D471-S474 VanDerWaalsContact O-CB 3.27Å; D471-S474 WeakPolarHBondContact O-CB 3.38Å; D471-S474 PolarHBondContact O-N 3.29Å
472P84.5Confident89Confident16 Ų1646.8 Ų46.810%0.10425%0.254CS..THydrogen-bonded Turntrans-50.4141.6170-29.338.1000112V455 L456 S474 H509 F510V455-P472 HydrophobicContact CG1-CB 3.98Å; V455-P472 HydrophobicContact CG1-CG 3.65Å; L456-P472 HydrophobicContact CD1-CG 4.39Å; L456-P472 HydrophobicContact CD2-CG 3.71Å; L456-P472 HydrophobicContact CG-CG 3.91Å; P472-S474 PolarHBondContact O-N 3.43Å; P472-H509 CarbonylContact C-O 3.57Å; P472-H509 WeakPolarHBondContact CA-O 3.49Å; P472-H509 HydrophobicContact CB-CB 4.18Å; P472-F510 HydrophobicContact CG-CE1 4.15Å; P472-F510 HydrophobicContact CG-CZ 3.86Å
473D84Confident89.2Confident125 Ų12543.6 Ų43.667%0.66824%0.242SC*.THydrogen-bonded Turntrans66.310-179.5-146.836.9000115.5H509D473-H509 PolarHBondContact N-O 2.79Å
474S86Confident89.5Confident37 Ų3746 Ų4626%0.25925%0.252SS..  trans-85.4127.2174.6-177.80000112.2D471 P472 D476D471-S474 VanDerWaalsContact O-CB 3.27Å; D471-S474 WeakPolarHBondContact O-CB 3.38Å; D471-S474 PolarHBondContact O-N 3.29Å; P472-S474 PolarHBondContact O-N 3.43Å; S474-D476 PolarHBondContact OG-N 3.26Å; S474-D476 VanDerWaalsContact OG-N 3.14Å; S474-D476 PolarHBondContact OG-O 2.86Å
475D86.4Confident89.7Confident139 Ų13946 Ų4674%0.74325%0.252SS*.  trans-83.9-11.6166.8-70.7-37000112.9L477D475-L477 PolarHBondContact O-N 3.35Å
476D86.8Confident90Very high91 Ų9145.8 Ų45.849%0.48725%0.251SS..  trans-81.4112.1178.5-17822.1000111.4I470 S474 S478I470-D476 VanDerWaalsContact CD1-O 3.31Å; I470-D476 WeakPolarHBondContact CD1-O 3.43Å; S474-D476 PolarHBondContact OG-N 3.26Å; S474-D476 VanDerWaalsContact OG-N 3.14Å; S474-D476 PolarHBondContact OG-O 2.86Å; D476-S478 VanDerWaalsContact CG-OG 3.28Å; D476-S478 WeakPolarHBondContact OD1-CB 3.38Å; D476-S478 PolarHBondContact OD1-N 2.95Å; D476-S478 PolarHBondContact OD1-OG 2.83Å; D476-S478 VanDerWaalsContact OD1-OG 3.13Å; D476-S478 PolarHBondContact OD2-OG 2.81Å
477L89.1Confident90.3Very high33 Ų3344.8 Ų44.817%0.17324%0.244CC..  trans-92.27.1175.7-57.3-174.3000113.5I470 D475 Q479 L480 A512 L513 H516I470-L477 HydrophobicContact CD1-CD2 4.16Å; D475-L477 PolarHBondContact O-N 3.35Å; L477-Q479 PolarHBondContact O-N 2.75Å; L477-Q479 VanDerWaalsContact O-N 3.17Å; L477-L480 WeakPolarHBondContact O-CB 3.33Å; L477-L480 PolarHBondContact O-N 2.8Å; L477-A512 HydrophobicContact CD2-CB 4.09Å; L477-L513 HydrophobicContact CD1-CD2 4.49Å; L477-L513 HydrophobicContact CD2-CD2 3.52Å; L477-L513 HydrophobicContact CD2-CG 4.19Å; L477-H516 HydrophobicContact CD1-CB 3.97Å
478S86.8Confident90.3Very high76 Ų7644.9 Ų44.953%0.53125%0.245SC..THydrogen-bonded Turntrans-61.4-26.8-174.974.40000114.5D476D476-S478 VanDerWaalsContact CG-OG 3.28Å; D476-S478 WeakPolarHBondContact OD1-CB 3.38Å; D476-S478 PolarHBondContact OD1-N 2.95Å; D476-S478 PolarHBondContact OD1-OG 2.83Å; D476-S478 VanDerWaalsContact OD1-OG 3.13Å; D476-S478 PolarHBondContact OD2-OG 2.81Å
479Q87Confident90.2Very high133 Ų13345.5 Ų45.562%0.62125%0.25SS*.THydrogen-bonded Turntrans-97.54.3179.5-60.7-49.4-62.100113.5G469 L477 R481G469-Q479 CarbonylContact O-C 3.55Å; G469-Q479 WeakPolarHBondContact O-CB 3.44Å; L477-Q479 PolarHBondContact O-N 2.75Å; L477-Q479 VanDerWaalsContact O-N 3.17Å; Q479-R481 PolarHBondContact O-N 2.56Å
480L92.3Very high90Very high14 Ų1445.9 Ų45.97%0.07325%0.246CC..  trans-56134.2179.2-176.760.7000110.4L409 I470 L477 Y482 I485 L513L409-L480 HydrophobicContact CD2-CB 4.45Å; L409-L480 HydrophobicContact CD2-CD2 4.41Å; L409-L480 HydrophobicContact CD2-CG 4.05Å; L409-L480 WeakPolarHBondContact CD2-O 3.42Å; I470-L480 HydrophobicContact CD1-CB 4.14Å; I470-L480 HydrophobicContact CG1-CB 4.41Å; I470-L480 HydrophobicContact CG1-CD1 4.05Å; L477-L480 WeakPolarHBondContact O-CB 3.33Å; L477-L480 PolarHBondContact O-N 2.8Å; L480-Y482 WeakPolarHBondContact CD1-O 3.47Å; L480-Y482 WeakPolarHBondContact CG-O 3.43Å; L480-I485 HydrophobicContact CD1-CD1 4.48Å; L480-L513 HydrophobicContact CD1-CD2 3.77Å; L480-L513 HydrophobicContact CD2-CD2 4.09Å
481R90.6Very high89.6Confident65 Ų6548.1 Ų48.125%0.24527%0.266CS..  trans-101.4-23.8-175.7-64-176.260.6-129.1-3.3114.4D403 A467 I468 Q479D403-R481 IonicContact OD1-NH2 3.64Å; D403-R481 IonicContact OD2-CZ 3.91Å; D403-R481 IonicContact OD2-NH2 2.68Å; D403-R481 PolarHBondContact OD2-NH2 3.01Å; A467-R481 WeakPolarHBondContact O-CD 3.42Å; A467-R481 PolarHBondContact O-NH1 2.97Å; I468-R481 PolarHBondContact O-N 3.37Å; Q479-R481 PolarHBondContact O-N 2.56Å
482Y94.4Very high89.4Confident2 Ų245.9 Ų45.91%0.00825%0.254CS..  trans-135.4131.1-176.7-50.3-76.4000109.5D403 L414 A436 A467 L480D403-Y482 PolarHBondContact OD1-OH 2.88Å; L414-Y482 HydrophobicContact CB-CD1 4.16Å; L414-Y482 HydrophobicContact CB-CD2 3.55Å; L414-Y482 HydrophobicContact CB-CE2 3.98Å; L414-Y482 HydrophobicContact CB-CG 3.64Å; L414-Y482 HydrophobicContact CD1-CE2 4.18Å; L414-Y482 HydrophobicContact CD2-CD2 3.85Å; L414-Y482 HydrophobicContact CD2-CE2 3.91Å; L414-Y482 HydrophobicContact CG-CD2 4.19Å; L414-Y482 HydrophobicContact CG-CE2 4.25Å; A436-Y482 HydrophobicContact CB-CD1 4.22Å; A436-Y482 HydrophobicContact CB-CE1 3.45Å; A436-Y482 VanDerWaalsContact CB-CE1 3.45Å; A467-Y482 WeakPolarHBondContact O-CE2 3.31Å; L480-Y482 WeakPolarHBondContact CD1-O 3.47Å; L480-Y482 WeakPolarHBondContact CG-O 3.43Å
483G92.4Very high89.4Confident9 Ų949.7 Ų49.79%0.09328%0.281CS..SBendtrans-80.9-15.7178.900000114.2L409 T412 H518L409-G483 WeakPolarHBondContact O-CA 3.34Å; L409-G483 PolarHBondContact O-N 2.99Å; T412-G483 PolarHBondContact O-N 3.5Å; T412-G483 PolarHBondContact OG1-N 2.98Å; G483-H518 PolarHBondContact O-ND1 3.35Å
484K96.4Very high89.5Confident65 Ų6547.1 Ų47.128%0.28327%0.267SS..EExtended strand (participates in β ladder)trans-126130.6168.1-56.4-171.6177172.30110.8T412 E413 L414 H518 Y520T412-K484 PolarHBondContact O-N 3.42Å; T412-K484 VanDerWaalsContact O-N 3.14Å; E413-K484 CarbonylContact C-O 2.94Å; E413-K484 VanDerWaalsContact CA-O 3.26Å; E413-K484 WeakPolarHBondContact CA-O 3.3Å; E413-K484 HydrophobicContact CB-CB 4.4Å; E413-K484 HydrophobicContact CG-CB 4.16Å; E413-K484 HydrophobicContact CG-CD 4.47Å; L414-K484 PolarHBondContact N-O 3.13Å; K484-H518 CarbonylContact C-O 3.53Å; K484-H518 WeakPolarHBondContact CA-O 3.22Å; K484-Y520 HydrophobicContact CB-CD2 3.9Å; K484-Y520 HydrophobicContact CB-CE2 3.78Å; K484-Y520 HydrophobicContact CD-CD2 4.44Å; K484-Y520 HydrophobicContact CD-CE2 3.96Å; K484-Y520 HydrophobicContact CG-CD2 4.18Å; K484-Y520 HydrophobicContact CG-CE2 3.58Å
485I97.2Very high89.6Confident0 Ų045.4 Ų45.40%026%0.255CS..EExtended strand (participates in β ladder)trans-115.8106173.8-59.6161.8000106.7L414 L416 I468 L480 F506 L513 H518 V519 Y520L414-I485 CarbonylContact O-C 3.55Å; L414-I485 WeakPolarHBondContact O-CA 3.28Å; L416-I485 HydrophobicContact CD1-CG2 4.28Å; L416-I485 HydrophobicContact CG-CG2 4.43Å; I468-I485 HydrophobicContact CB-CD1 4.28Å; I468-I485 HydrophobicContact CG2-CD1 3.74Å; I468-I485 HydrophobicContact CG2-CG1 4.25Å; L480-I485 HydrophobicContact CD1-CD1 4.48Å; I485-F506 HydrophobicContact CD1-CE1 4.49Å; I485-F506 HydrophobicContact CG2-CE1 4.19Å; I485-F506 HydrophobicContact CG2-CE2 4.31Å; I485-F506 HydrophobicContact CG2-CZ 3.65Å; I485-L513 HydrophobicContact CD1-CD1 3.72Å; I485-H518 PolarHBondContact N-O 3.28Å; I485-V519 CarbonylContact O-C 3.46Å; I485-V519 WeakPolarHBondContact O-CA 3.31Å; I485-Y520 PolarHBondContact O-N 3.27Å
486C96.9Very high89.6Confident0 Ų044 Ų440%025%0.247CC..EExtended strand (participates in β ladder)trans-103.1121.3-173.9-61.10000110.4L414 F415 L416 Y520L414-C486 PolarHBondContact O-N 3.11Å; F415-C486 CarbonylContact C-O 3.5Å; F415-C486 VanDerWaalsContact CA-O 3.28Å; F415-C486 WeakPolarHBondContact CA-O 3.37Å; F415-C486 HydrophobicContact CD1-CB 3.49Å; F415-C486 VanDerWaalsContact CD1-CB 3.49Å; F415-C486 HydrophobicContact CE1-CB 3.53Å; F415-C486 HydrophobicContact CG-CB 4.06Å; F415-C486 HydrophobicContact CZ-CB 4.13Å; L416-C486 PolarHBondContact N-O 3.35Å; C486-Y520 CarbonylContact C-O 3.55Å; C486-Y520 WeakPolarHBondContact CA-O 3.3Å
487I95.7Very high89.8Confident0 Ų043.5 Ų43.50%024%0.242CC..EExtended strand (participates in β ladder)trans-79.8121.3169.5-60.6165.7000107.9A499 L502 F506 V519 Y520 V521 A522I487-A499 HydrophobicContact CG2-CB 4.16Å; I487-L502 HydrophobicContact CB-CD1 4.41Å; I487-L502 HydrophobicContact CD1-CB 3.63Å; I487-L502 HydrophobicContact CG1-CB 4.05Å; I487-L502 HydrophobicContact CG1-CD1 4.09Å; I487-L502 HydrophobicContact CG2-CB 4.42Å; I487-L502 HydrophobicContact CG2-CD1 3.64Å; I487-F506 HydrophobicContact CD1-CD2 4.2Å; I487-F506 HydrophobicContact CD1-CE2 4.26Å; I487-F506 HydrophobicContact CG1-CE2 4.31Å; I487-V519 HydrophobicContact CD1-CG1 4.43Å; I487-Y520 PolarHBondContact N-O 3.27Å; I487-V521 HydrophobicContact CB-CG2 4.18Å; I487-V521 HydrophobicContact CD1-CG2 4.05Å; I487-A522 PolarHBondContact O-N 3.45Å
488L93.7Very high89.9Confident1 Ų142.3 Ų42.31%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-122.996.8178.4177.158.6000109F415 L416 V417 E418 A522 L566 T578 L579F415-L488 HydrophobicContact CD1-CB 4.26Å; F415-L488 HydrophobicContact CD1-CD2 4.26Å; L416-L488 PolarHBondContact O-N 2.83Å; V417-L488 WeakPolarHBondContact CA-O 3.39Å; V417-L488 HydrophobicContact CG1-CD2 4.44Å; V417-L488 HydrophobicContact CG2-CB 4.32Å; V417-L488 HydrophobicContact CG2-CD2 4.08Å; E418-L488 PolarHBondContact N-O 2.83Å; L488-A522 HydrophobicContact CB-CB 4.4Å; L488-A522 HydrophobicContact CD1-CB 3.93Å; L488-L566 HydrophobicContact CD1-CD1 3.59Å; L488-L566 HydrophobicContact CD1-CD2 3.84Å; L488-L566 HydrophobicContact CD1-CG 4.38Å; L488-L566 HydrophobicContact CD2-CD1 4.32Å; L488-L566 HydrophobicContact CG-CD1 3.57Å; L488-T578 HydrophobicContact CD1-CG2 3.63Å; L488-L579 HydrophobicContact CD2-CD2 4.32Å
489A89.8Confident90.2Very high14 Ų1439.3 Ų39.312%0.11622%0.215CC..  trans-117.2160.5-179.300000111G495 A499A489-G495 WeakPolarHBondContact CB-O 3.43Å; A489-A499 HydrophobicContact CB-CB 4.17Å
490D86.7Confident90.5Very high31 Ų3135.8 Ų35.817%0.16620%0.203CC..  trans-68.1152.7175.5-78.1-7.1000110.9E418 D492 G495 L566E418-D490 PolarHBondContact OE2-N 2.9Å; D490-D492 PolarHBondContact O-N 2.63Å; D490-D492 VanDerWaalsContact O-N 3.13Å; D490-G495 WeakPolarHBondContact O-CA 3.07Å; D490-L566 WeakPolarHBondContact OD1-CB 3.41Å; D490-L566 VanDerWaalsContact OD1-CD1 3.31Å; D490-L566 WeakPolarHBondContact OD1-CD1 3.28Å; D490-L566 WeakPolarHBondContact OD1-CG 3.46Å; D490-L566 PolarHBondContact OD1-N 2.88Å
491A80.3Confident90.6Very high53 Ų5335.4 Ų35.444%0.43820%0.201SC..SBendtrans-83.328.2179.100000112.6L526A491-L526 HydrophobicContact CB-CD2 3.6Å
492D81.3Confident90.8Very high60 Ų6032.4 Ų32.432%0.32119%0.19SC..SBendtrans-107178.7175.976.110.9000111.1D490 D494 G495 L496D490-D492 PolarHBondContact O-N 2.63Å; D490-D492 VanDerWaalsContact O-N 3.13Å; D492-D494 VanDerWaalsContact C-N 3.26Å; D492-D494 PolarHBondContact O-N 2.78Å; D492-D494 PolarHBondContact OD1-N 2.78Å; D492-G495 PolarHBondContact O-N 2.79Å; D492-G495 PolarHBondContact OD1-N 3.12Å; D492-L496 WeakPolarHBondContact O-CB 3.49Å; D492-L496 VanDerWaalsContact O-CG 3.23Å; D492-L496 WeakPolarHBondContact O-CG 3.41Å; D492-L496 PolarHBondContact O-N 2.86Å
493S83.1Confident90.8Very high96 Ų9633.4 Ų33.467%0.67120%0.197SC*.Hα-helixtrans-63.5-29.9-178.156.70000113.9H497S493-H497 WeakPolarHBondContact O-CB 3.38Å; S493-H497 PolarHBondContact O-N 2.85Å
494D86.6Confident90.9Very high71 Ų7133 Ų3338%0.3819%0.193SC..Hα-helixtrans-80.1-41-178.4-80.5-39.9000111K443 D492 H497 I498K443-D494 WeakPolarHBondContact CE-OD1 3.26Å; K443-D494 IonicContact NZ-OD1 3.33Å; K443-D494 PolarHBondContact NZ-OD1 2.7Å; D492-D494 VanDerWaalsContact C-N 3.26Å; D492-D494 PolarHBondContact O-N 2.78Å; D492-D494 PolarHBondContact OD1-N 2.78Å; D494-H497 WeakPolarHBondContact O-CB 3.45Å; D494-H497 PolarHBondContact O-N 2.84Å; D494-I498 WeakPolarHBondContact O-CG1 3.27Å; D494-I498 PolarHBondContact O-N 2.82Å
495G87.4Confident90.8Very high0 Ų030 Ų300%018%0.179CC..Hα-helixtrans-65.4-41.7174.200000112.9E418 A489 D490 D492 H497 I498 A499E418-G495 WeakPolarHBondContact OE2-CA 3.47Å; A489-G495 WeakPolarHBondContact CB-O 3.43Å; D490-G495 WeakPolarHBondContact O-CA 3.07Å; D492-G495 PolarHBondContact O-N 2.79Å; D492-G495 PolarHBondContact OD1-N 3.12Å; G495-H497 VanDerWaalsContact C-N 3.27Å; G495-H497 PolarHBondContact O-N 2.82Å; G495-I498 PolarHBondContact O-N 2.68Å; G495-A499 WeakPolarHBondContact O-CB 3.36Å; G495-A499 PolarHBondContact O-N 2.57Å
496L87.9Confident90.8Very high109 Ų10930 Ų3057%0.57118%0.179SC*.Hα-helixtrans-61.3-36.4172.5-70.7175.2000112.3D492 T500D492-L496 WeakPolarHBondContact O-CB 3.49Å; D492-L496 VanDerWaalsContact O-CG 3.23Å; D492-L496 WeakPolarHBondContact O-CG 3.41Å; D492-L496 PolarHBondContact O-N 2.86Å; L496-T500 WeakPolarHBondContact O-CB 3.29Å; L496-T500 PolarHBondContact O-N 2.81Å; L496-T500 PolarHBondContact O-OG1 3.45Å
497H90.4Very high90.6Very high82 Ų8230.3 Ų30.338%0.3818%0.181SC..Hα-helixtrans-67.5-45174.6-174.6-177.9000111.2S493 D494 G495 A499 T500 L501S493-H497 WeakPolarHBondContact O-CB 3.38Å; S493-H497 PolarHBondContact O-N 2.85Å; D494-H497 WeakPolarHBondContact O-CB 3.45Å; D494-H497 PolarHBondContact O-N 2.84Å; G495-H497 VanDerWaalsContact C-N 3.27Å; G495-H497 PolarHBondContact O-N 2.82Å; H497-A499 VanDerWaalsContact C-N 3.34Å; H497-A499 PolarHBondContact O-N 2.79Å; H497-T500 WeakPolarHBondContact O-CB 3.47Å; H497-T500 PolarHBondContact O-N 2.94Å; H497-L501 WeakPolarHBondContact O-CG 3.41Å; H497-L501 PolarHBondContact O-N 3.1Å
498I91.6Very high90.4Very high7 Ų734.4 Ų34.44%0.03620%0.199CC..Hα-helixtrans-62.2-42.7176.4-71.1169.2000111.2E418 K443 D494 G495 T500 L501 L502E418-I498 HydrophobicContact CG-CD1 3.68Å; E418-I498 WeakPolarHBondContact OE1-CD1 3.46Å; K443-I498 HydrophobicContact CG-CD1 4.44Å; K443-I498 HydrophobicContact CG-CG1 4.19Å; D494-I498 WeakPolarHBondContact O-CG1 3.27Å; D494-I498 PolarHBondContact O-N 2.82Å; G495-I498 PolarHBondContact O-N 2.68Å; I498-T500 VanDerWaalsContact C-N 3.31Å; I498-T500 PolarHBondContact O-N 2.91Å; I498-L501 PolarHBondContact O-N 3.31Å; I498-L502 HydrophobicContact CG2-CD1 4.1Å; I498-L502 PolarHBondContact O-N 3.35Å
499A92.4Very high90.3Very high14 Ų1434.4 Ų34.412%0.11620%0.199CC..Hα-helixtrans-58.9-44.3174.600000111.2I487 A489 G495 H497 L501 L502 C503I487-A499 HydrophobicContact CG2-CB 4.16Å; A489-A499 HydrophobicContact CB-CB 4.17Å; G495-A499 WeakPolarHBondContact O-CB 3.36Å; G495-A499 PolarHBondContact O-N 2.57Å; H497-A499 VanDerWaalsContact C-N 3.34Å; H497-A499 PolarHBondContact O-N 2.79Å; A499-L501 PolarHBondContact O-N 3.19Å; A499-L502 PolarHBondContact O-N 3.25Å; A499-C503 WeakPolarHBondContact O-CB 3.49Å; A499-C503 PolarHBondContact O-N 3.46Å; A499-C503 PolarHBondContact O-SG 3.31Å
500T93.2Very high90.5Very high58 Ų5833.9 Ų33.936%0.35619%0.194SC..Hα-helixtrans-60.2-43.6176.2-570000111.9L496 H497 I498 C503 A504 L607L496-T500 WeakPolarHBondContact O-CB 3.29Å; L496-T500 PolarHBondContact O-N 2.81Å; L496-T500 PolarHBondContact O-OG1 3.45Å; H497-T500 WeakPolarHBondContact O-CB 3.47Å; H497-T500 PolarHBondContact O-N 2.94Å; I498-T500 VanDerWaalsContact C-N 3.31Å; I498-T500 PolarHBondContact O-N 2.91Å; T500-C503 PolarHBondContact O-N 2.87Å; T500-A504 WeakPolarHBondContact O-CB 3.33Å; T500-A504 PolarHBondContact O-N 3.12Å; T500-L607 HydrophobicContact CG2-CD2 4.4Å
501L94.6Very high90.7Very high7 Ų735.5 Ų35.54%0.03720%0.198CC..Hα-helixtrans-65.7-38.7177.8-67167.8000112.2I444 N446 H497 I498 A499 A504 L505 L607I444-L501 WeakPolarHBondContact O-CD1 3.23Å; N446-L501 HydrophobicContact CB-CD2 3.79Å; H497-L501 WeakPolarHBondContact O-CG 3.41Å; H497-L501 PolarHBondContact O-N 3.1Å; I498-L501 PolarHBondContact O-N 3.31Å; A499-L501 PolarHBondContact O-N 3.19Å; L501-A504 PolarHBondContact O-N 3.26Å; L501-L505 WeakPolarHBondContact O-CB 3.33Å; L501-L505 PolarHBondContact O-N 2.66Å; L501-L607 HydrophobicContact CD2-CD2 4.46Å
502L95Very high91.3Very high2 Ų233.2 Ų33.21%0.0118%0.18CC..Hα-helixtrans-67-44.6174.2-77.9169.3000111.8L416 L440 I444 I464 I487 I498 A499 A504 L505 F506L416-L502 HydrophobicContact CB-CD1 4.44Å; L416-L502 HydrophobicContact CD1-CD2 3.9Å; L440-L502 HydrophobicContact CD1-CD1 3.96Å; L440-L502 HydrophobicContact CD1-CD2 4.07Å; L440-L502 HydrophobicContact CD1-CG 4.49Å; I444-L502 HydrophobicContact CD1-CD1 4.1Å; I444-L502 HydrophobicContact CD1-CD2 3.18Å; I444-L502 HydrophobicContact CD1-CG 3.42Å; I444-L502 VanDerWaalsContact CD1-CG 3.42Å; I464-L502 HydrophobicContact CD1-CD2 4.01Å; I487-L502 HydrophobicContact CB-CD1 4.41Å; I487-L502 HydrophobicContact CD1-CB 3.63Å; I487-L502 HydrophobicContact CG1-CB 4.05Å; I487-L502 HydrophobicContact CG1-CD1 4.09Å; I487-L502 HydrophobicContact CG2-CB 4.42Å; I487-L502 HydrophobicContact CG2-CD1 3.64Å; I498-L502 HydrophobicContact CG2-CD1 4.1Å; I498-L502 PolarHBondContact O-N 3.35Å; A499-L502 PolarHBondContact O-N 3.25Å; L502-A504 VanDerWaalsContact C-N 3.27Å; L502-A504 PolarHBondContact O-N 3.48Å; L502-L505 HydrophobicContact CD2-CD2 4.35Å; L502-L505 WeakPolarHBondContact O-CB 3.18Å; L502-L505 PolarHBondContact O-N 3.05Å; L502-F506 HydrophobicContact CD2-CE2 4.35Å; L502-F506 WeakPolarHBondContact O-CD2 3.46Å; L502-F506 PolarHBondContact O-N 3.36Å
503C94.6Very high91.9Very high23 Ų2330.4 Ų30.416%0.15517%0.165CC..Hα-helixtrans-56.2-45.9174-68.50000110.5A499 T500 L505 F506 V507 L589 M603A499-C503 WeakPolarHBondContact O-CB 3.49Å; A499-C503 PolarHBondContact O-N 3.46Å; A499-C503 PolarHBondContact O-SG 3.31Å; T500-C503 PolarHBondContact O-N 2.87Å; C503-L505 PolarHBondContact O-N 3.29Å; C503-F506 PolarHBondContact O-N 2.88Å; C503-V507 WeakPolarHBondContact O-CB 3.47Å; C503-V507 WeakPolarHBondContact O-CG2 3.42Å; C503-V507 PolarHBondContact O-N 3.48Å; C503-L589 HydrophobicContact CB-CD2 4.11Å; C503-M603 HydrophobicContact CB-CE 4.18Å
504A94.1Very high92.5Very high1 Ų126 Ų261%0.00813%0.133CC..Hα-helixtrans-61.2-43.9176.500000112.9W448 T500 L501 L502 F506 V507 K508 L607W448-A504 HydrophobicContact CE3-CB 4.21Å; T500-A504 WeakPolarHBondContact O-CB 3.33Å; T500-A504 PolarHBondContact O-N 3.12Å; L501-A504 PolarHBondContact O-N 3.26Å; L502-A504 VanDerWaalsContact C-N 3.27Å; L502-A504 PolarHBondContact O-N 3.48Å; A504-F506 PolarHBondContact O-N 3.13Å; A504-V507 PolarHBondContact O-N 2.67Å; A504-K508 WeakPolarHBondContact O-CB 3.49Å; A504-K508 PolarHBondContact O-N 3.13Å; A504-L607 HydrophobicContact CB-CD1 3.22Å
505L95.1Very high92.7Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-56.7-49.5175.5175.168.3000111T447 V455 V461 I464 L501 L502 C503 H509 F510T447-L505 HydrophobicContact CG2-CD1 3.97Å; V455-L505 HydrophobicContact CG2-CD1 4.38Å; V461-L505 HydrophobicContact CG1-CD1 3.77Å; V461-L505 HydrophobicContact CG1-CD2 4.46Å; V461-L505 HydrophobicContact CG2-CD1 4.14Å; V461-L505 HydrophobicContact CG2-CD2 4.34Å; I464-L505 HydrophobicContact CD1-CD2 4.09Å; L501-L505 WeakPolarHBondContact O-CB 3.33Å; L501-L505 PolarHBondContact O-N 2.66Å; L502-L505 HydrophobicContact CD2-CD2 4.35Å; L502-L505 WeakPolarHBondContact O-CB 3.18Å; L502-L505 PolarHBondContact O-N 3.05Å; C503-L505 PolarHBondContact O-N 3.29Å; L505-H509 HydrophobicContact CD1-CB 4.41Å; L505-H509 WeakPolarHBondContact O-CB 3.37Å; L505-H509 PolarHBondContact O-N 2.89Å; L505-F510 HydrophobicContact CD1-CD2 4.49Å; L505-F510 HydrophobicContact CD1-CE2 4.01Å; L505-F510 HydrophobicContact CD2-CE2 4.36Å; L505-F510 HydrophobicContact CG-CD2 4.18Å; L505-F510 HydrophobicContact CG-CE2 3.98Å
506F95.5Very high92.9Very high0 Ų032.8 Ų32.80%016%0.161CC..Hα-helixtrans-68.8-43.4-179-73.5-65.6000112.8L416 I464 I485 I487 L502 C503 A504 K508 F510 R511 L513 V514 V519L416-F506 HydrophobicContact CD1-CE2 3.9Å; L416-F506 HydrophobicContact CD1-CZ 3.74Å; I464-F506 HydrophobicContact CG2-CZ 4.41Å; I485-F506 HydrophobicContact CD1-CE1 4.49Å; I485-F506 HydrophobicContact CG2-CE1 4.19Å; I485-F506 HydrophobicContact CG2-CE2 4.31Å; I485-F506 HydrophobicContact CG2-CZ 3.65Å; I487-F506 HydrophobicContact CD1-CD2 4.2Å; I487-F506 HydrophobicContact CD1-CE2 4.26Å; I487-F506 HydrophobicContact CG1-CE2 4.31Å; L502-F506 HydrophobicContact CD2-CE2 4.35Å; L502-F506 WeakPolarHBondContact O-CD2 3.46Å; L502-F506 PolarHBondContact O-N 3.36Å; C503-F506 PolarHBondContact O-N 2.88Å; A504-F506 PolarHBondContact O-N 3.13Å; F506-K508 PolarHBondContact O-N 3.44Å; F506-F510 HydrophobicContact CD1-CB 3.92Å; F506-F510 AromaticContact CD1-CD2 3.98Å; F506-F510 HydrophobicContact CD1-CD2 3.98Å; F506-F510 HydrophobicContact CD1-CG 4.22Å; F506-F510 HydrophobicContact CE1-CD2 4.31Å; F506-F510 CarbonylContact O-C 3.38Å; F506-F510 WeakPolarHBondContact O-CA 3.24Å; F506-F510 PolarHBondContact O-N 3.23Å; F506-R511 PolarHBondContact O-N 3.45Å; F506-R511 VanDerWaalsContact O-N 3.15Å; F506-L513 HydrophobicContact CD1-CD1 4.49Å; F506-L513 HydrophobicContact CE1-CD1 4.47Å; F506-V514 HydrophobicContact CB-CG2 3.88Å; F506-V519 HydrophobicContact CB-CG1 4.3Å; F506-V519 HydrophobicContact CB-CG2 4.24Å; F506-V519 HydrophobicContact CD1-CG2 3.89Å; F506-V519 HydrophobicContact CD2-CG1 3.76Å; F506-V519 HydrophobicContact CE1-CG2 4.44Å; F506-V519 HydrophobicContact CE2-CG1 4.23Å; F506-V519 HydrophobicContact CG-CG1 3.96Å; F506-V519 HydrophobicContact CG-CG2 3.99Å
507V93.3Very high93.2Very high7 Ų728.1 Ų28.14%0.04214%0.139CC..Hα-helixtrans-62.7-43.4178.3169.70000110.9W448 C503 A504 R511 I591 T599 M603W448-V507 HydrophobicContact CH2-CG1 4.31Å; W448-V507 HydrophobicContact CZ3-CG1 4.15Å; C503-V507 WeakPolarHBondContact O-CB 3.47Å; C503-V507 WeakPolarHBondContact O-CG2 3.42Å; C503-V507 PolarHBondContact O-N 3.48Å; A504-V507 PolarHBondContact O-N 2.67Å; V507-R511 WeakPolarHBondContact O-CB 3.44Å; V507-I591 HydrophobicContact CB-CD1 4.4Å; V507-I591 HydrophobicContact CG1-CD1 3.92Å; V507-I591 HydrophobicContact CG2-CD1 4.16Å; V507-T599 HydrophobicContact CG1-CG2 4.32Å; V507-M603 HydrophobicContact CB-CE 4.33Å; V507-M603 HydrophobicContact CG2-CE 3.94Å
508K91.8Very high93.5Very high86 Ų8626.2 Ų26.237%0.37413%0.13SC..Hα-helixtrans-80.5-46.4-174.4-173.562.7176.1-179.10113.6W448 A504 F506W448-K508 HydrophobicContact CE3-CB 3.85Å; W448-K508 HydrophobicContact CE3-CD 4.26Å; W448-K508 HydrophobicContact CE3-CG 4.25Å; W448-K508 HydrophobicContact CH2-CD 4.33Å; W448-K508 HydrophobicContact CZ3-CB 3.78Å; W448-K508 HydrophobicContact CZ3-CD 4.15Å; W448-K508 HydrophobicContact CZ3-CG 4.39Å; A504-K508 WeakPolarHBondContact O-CB 3.49Å; A504-K508 PolarHBondContact O-N 3.13Å; F506-K508 PolarHBondContact O-N 3.44Å
509H91.9Very high93.7Very high2 Ų225.9 Ų25.91%0.00913%0.128CC..Hα-helixtrans-111.4-18.4-167.3-60-74.2000113.8T447 V450 S452 P472 D473 L505T447-H509 VanDerWaalsContact CB-NE2 3.3Å; T447-H509 WeakPolarHBondContact CB-NE2 3.22Å; T447-H509 PolarHBondContact O-NE2 3.18Å; T447-H509 VanDerWaalsContact O-NE2 3.16Å; T447-H509 PolarHBondContact OG1-CD2 3.43Å; T447-H509 PolarHBondContact OG1-NE2 3.25Å; T447-H509 VanDerWaalsContact OG1-NE2 3.08Å; V450-H509 PolarHBondContact O-CE1 3.34Å; V450-H509 VanDerWaalsContact O-CE1 3.26Å; S452-H509 PolarHBondContact OG-ND1 2.9Å; P472-H509 CarbonylContact C-O 3.57Å; P472-H509 WeakPolarHBondContact CA-O 3.49Å; P472-H509 HydrophobicContact CB-CB 4.18Å; D473-H509 PolarHBondContact N-O 2.79Å; L505-H509 HydrophobicContact CD1-CB 4.41Å; L505-H509 WeakPolarHBondContact O-CB 3.37Å; L505-H509 PolarHBondContact O-N 2.89Å
510F93.3Very high93.9Very high3 Ų326.9 Ų26.91%0.01313%0.129CC..  trans-126.141.2177.8-58.1-78.1000110.6I468 I470 P472 L505 F506 A512 L513I468-F510 HydrophobicContact CD1-CD1 3.79Å; I468-F510 HydrophobicContact CD1-CE1 3.6Å; I468-F510 HydrophobicContact CD1-CE2 4.49Å; I468-F510 HydrophobicContact CD1-CG 4.33Å; I468-F510 HydrophobicContact CD1-CZ 3.97Å; I470-F510 HydrophobicContact CG2-CD1 4.11Å; I470-F510 HydrophobicContact CG2-CE1 4.46Å; I470-F510 WeakPolarHBondContact O-CE1 3.17Å; P472-F510 HydrophobicContact CG-CE1 4.15Å; P472-F510 HydrophobicContact CG-CZ 3.86Å; L505-F510 HydrophobicContact CD1-CD2 4.49Å; L505-F510 HydrophobicContact CD1-CE2 4.01Å; L505-F510 HydrophobicContact CD2-CE2 4.36Å; L505-F510 HydrophobicContact CG-CD2 4.18Å; L505-F510 HydrophobicContact CG-CE2 3.98Å; F506-F510 HydrophobicContact CD1-CB 3.92Å; F506-F510 AromaticContact CD1-CD2 3.98Å; F506-F510 HydrophobicContact CD1-CD2 3.98Å; F506-F510 HydrophobicContact CD1-CG 4.22Å; F506-F510 HydrophobicContact CE1-CD2 4.31Å; F506-F510 CarbonylContact O-C 3.38Å; F506-F510 WeakPolarHBondContact O-CA 3.24Å; F506-F510 PolarHBondContact O-N 3.23Å; F510-A512 PolarHBondContact O-N 3.15Å; F510-A512 VanDerWaalsContact O-N 3.1Å; F510-L513 HydrophobicContact CB-CB 4.47Å; F510-L513 HydrophobicContact CB-CD1 3.9Å; F510-L513 HydrophobicContact CB-CG 4.31Å; F510-L513 HydrophobicContact CD1-CD1 4.41Å; F510-L513 HydrophobicContact CG-CD1 4.37Å; F510-L513 WeakPolarHBondContact O-CB 3.47Å; F510-L513 PolarHBondContact O-N 2.97Å
511R91.7Very high94Very high64 Ų6425.5 Ų25.524%0.24212%0.121CC..Hα-helixtrans-54.6-36-171.5-161.8175.5-162.9139.517.7112F506 V507 L513 V514 K515 I591 D596 D600F506-R511 PolarHBondContact O-N 3.45Å; F506-R511 VanDerWaalsContact O-N 3.15Å; V507-R511 WeakPolarHBondContact O-CB 3.44Å; R511-L513 VanDerWaalsContact C-N 3.3Å; R511-L513 PolarHBondContact O-N 3.45Å; R511-V514 PolarHBondContact O-N 2.83Å; R511-V514 VanDerWaalsContact O-N 3.1Å; R511-K515 HydrophobicContact CG-CG 4.48Å; R511-K515 PolarHBondContact O-N 3.49Å; R511-I591 HydrophobicContact CG-CD1 4.26Å; R511-D596 IonicContact CZ-OD1 2.74Å; R511-D596 IonicContact CZ-OD2 3.86Å; R511-D596 IonicContact NE-OD1 3Å; R511-D596 PolarHBondContact NE-OD1 3.39Å; R511-D596 VanDerWaalsContact NE-OD1 3.17Å; R511-D596 IonicContact NE-OD2 3.86Å; R511-D596 IonicContact NH1-OD2 3.1Å; R511-D596 IonicContact NH2-OD1 3.54Å; R511-D596 PolarHBondContact NH2-OD1 2.89Å; R511-D596 IonicContact NH2-OD2 3.4Å; R511-D596 PolarHBondContact NH2-OD2 2.8Å; R511-D600 IonicContact CZ-OD1 2.59Å; R511-D600 IonicContact CZ-OD2 3.22Å; R511-D600 IonicContact NH1-OD1 3.74Å; R511-D600 IonicContact NH1-OD2 2.81Å; R511-D600 PolarHBondContact NH1-OD2 3.1Å; R511-D600 VanDerWaalsContact NH1-OD2 3.1Å; R511-D600 IonicContact NH2-OD1 2.7Å; R511-D600 PolarHBondContact NH2-OD1 2.99Å; R511-D600 IonicContact NH2-OD2 3.06Å; R511-D600 PolarHBondContact NH2-OD2 3.41Å
512A92.3Very high93.9Very high6 Ų625.4 Ų25.45%0.0512%0.121CC..Hα-helixtrans-56.6-39.4174.800000113L477 F510 V514 H516L477-A512 HydrophobicContact CD2-CB 4.09Å; F510-A512 PolarHBondContact O-N 3.15Å; F510-A512 VanDerWaalsContact O-N 3.1Å; A512-V514 VanDerWaalsContact C-N 3.33Å; A512-V514 PolarHBondContact O-N 3.44Å; A512-H516 WeakPolarHBondContact O-CB 3.06Å; A512-H516 PolarHBondContact O-N 3.43Å; A512-H516 PolarHBondContact O-ND1 3.22Å
513L95Very high93.6Very high1 Ų128.4 Ų28.41%0.00514%0.137CC..Hα-helixtrans-66.7-36.2177-65176.9000112.1I468 L477 L480 I485 F506 F510 R511 G517 H518 V519I468-L513 HydrophobicContact CD1-CD1 3.99Å; L477-L513 HydrophobicContact CD1-CD2 4.49Å; L477-L513 HydrophobicContact CD2-CD2 3.52Å; L477-L513 HydrophobicContact CD2-CG 4.19Å; L480-L513 HydrophobicContact CD1-CD2 3.77Å; L480-L513 HydrophobicContact CD2-CD2 4.09Å; I485-L513 HydrophobicContact CD1-CD1 3.72Å; F506-L513 HydrophobicContact CD1-CD1 4.49Å; F506-L513 HydrophobicContact CE1-CD1 4.47Å; F510-L513 HydrophobicContact CB-CB 4.47Å; F510-L513 HydrophobicContact CB-CD1 3.9Å; F510-L513 HydrophobicContact CB-CG 4.31Å; F510-L513 HydrophobicContact CD1-CD1 4.41Å; F510-L513 HydrophobicContact CG-CD1 4.37Å; F510-L513 WeakPolarHBondContact O-CB 3.47Å; F510-L513 PolarHBondContact O-N 2.97Å; R511-L513 VanDerWaalsContact C-N 3.3Å; R511-L513 PolarHBondContact O-N 3.45Å; L513-G517 PolarHBondContact O-N 3.32Å; L513-H518 HydrophobicContact CB-CB 4.34Å; L513-H518 HydrophobicContact CD2-CB 4.22Å; L513-H518 PolarHBondContact O-N 2.97Å; L513-V519 HydrophobicContact CB-CG2 3.87Å
514V94.4Very high93.2Very high2 Ų228.3 Ų28.31%0.01214%0.136CC..Hα-helixtrans-71.4-47.4177.3-175.70000110.5F506 R511 A512 H516 G517 V519 L589 I591F506-V514 HydrophobicContact CB-CG2 3.88Å; R511-V514 PolarHBondContact O-N 2.83Å; R511-V514 VanDerWaalsContact O-N 3.1Å; A512-V514 VanDerWaalsContact C-N 3.33Å; A512-V514 PolarHBondContact O-N 3.44Å; V514-H516 VanDerWaalsContact C-N 3.28Å; V514-H516 PolarHBondContact O-N 2.72Å; V514-G517 PolarHBondContact O-N 3.3Å; V514-V519 HydrophobicContact CG2-CB 4.43Å; V514-V519 HydrophobicContact CG2-CG2 4.06Å; V514-L589 HydrophobicContact CG1-CB 3.96Å; V514-I591 HydrophobicContact CB-CD1 4.11Å; V514-I591 HydrophobicContact CG1-CD1 3.68Å; V514-I591 HydrophobicContact CG1-CG1 3.67Å
515K91.8Very high92.8Very high92 Ų9228.6 Ų28.640%0.414%0.138SC..Hα-helixtrans-60.7-35.6178.2-71.9-161.8174.2-154.30113R511 G517 D593 D596R511-K515 HydrophobicContact CG-CG 4.48Å; R511-K515 PolarHBondContact O-N 3.49Å; K515-G517 VanDerWaalsContact C-N 3.29Å; K515-D593 IonicContact NZ-OD1 2.61Å; K515-D593 PolarHBondContact NZ-OD1 3.02Å; K515-D596 IonicContact NZ-OD1 2.7Å
516H91.9Very high92.4Very high123 Ų12330.6 Ų30.657%0.56915%0.148SC*.THydrogen-bonded Turntrans-86.85.1175.8-65.285.9000113.5L477 A512 V514L477-H516 HydrophobicContact CD1-CB 3.97Å; A512-H516 WeakPolarHBondContact O-CB 3.06Å; A512-H516 PolarHBondContact O-N 3.43Å; A512-H516 PolarHBondContact O-ND1 3.22Å; V514-H516 VanDerWaalsContact C-N 3.28Å; V514-H516 PolarHBondContact O-N 2.72Å
517G93.5Very high92Very high10 Ų1031.5 Ų31.510%0.10315%0.152CC..THydrogen-bonded Turntrans7326.9172.200000115L513 V514 K515 Y520 Q588L513-G517 PolarHBondContact O-N 3.32Å; V514-G517 PolarHBondContact O-N 3.3Å; K515-G517 VanDerWaalsContact C-N 3.29Å; G517-Y520 WeakPolarHBondContact O-CE2 3.37Å; G517-Y520 VanDerWaalsContact O-CZ 3.27Å; G517-Y520 PolarHBondContact O-OH 3.46Å; G517-Q588 VanDerWaalsContact CA-NE2 3.33Å; G517-Q588 PolarHBondContact O-NE2 3.01Å
518H95.8Very high91.8Very high42 Ų4233.8 Ų33.819%0.19416%0.16CC..  trans-85.7-14.8-179.5-67.7-62.7000114.1G483 K484 I485 L513 Y520G483-H518 PolarHBondContact O-ND1 3.35Å; K484-H518 CarbonylContact C-O 3.53Å; K484-H518 WeakPolarHBondContact CA-O 3.22Å; I485-H518 PolarHBondContact N-O 3.28Å; L513-H518 HydrophobicContact CB-CB 4.34Å; L513-H518 HydrophobicContact CD2-CB 4.22Å; L513-H518 PolarHBondContact O-N 2.97Å; H518-Y520 WeakPolarHBondContact O-CD2 3.39Å; H518-Y520 WeakPolarHBondContact O-CE2 3.4Å
519V96.7Very high91.8Very high0 Ų029.7 Ų29.70%014%0.142CC..EExtended strand (participates in β ladder)trans-101.7132.9-174.2-171.80000111.1I485 I487 F506 L513 V514 L589I485-V519 CarbonylContact O-C 3.46Å; I485-V519 WeakPolarHBondContact O-CA 3.31Å; I487-V519 HydrophobicContact CD1-CG1 4.43Å; F506-V519 HydrophobicContact CB-CG1 4.3Å; F506-V519 HydrophobicContact CB-CG2 4.24Å; F506-V519 HydrophobicContact CD1-CG2 3.89Å; F506-V519 HydrophobicContact CD2-CG1 3.76Å; F506-V519 HydrophobicContact CE1-CG2 4.44Å; F506-V519 HydrophobicContact CE2-CG1 4.23Å; F506-V519 HydrophobicContact CG-CG1 3.96Å; F506-V519 HydrophobicContact CG-CG2 3.99Å; L513-V519 HydrophobicContact CB-CG2 3.87Å; V514-V519 HydrophobicContact CG2-CB 4.43Å; V514-V519 HydrophobicContact CG2-CG2 4.06Å; V519-L589 HydrophobicContact CB-CB 4.31Å; V519-L589 HydrophobicContact CG1-CB 4.48Å; V519-L589 HydrophobicContact CG1-CD1 4.47Å; V519-L589 HydrophobicContact CG1-CD2 3.97Å; V519-L589 PolarHBondContact O-N 3.42Å
520Y97.1Very high91.7Very high35 Ų3530.8 Ų30.814%0.13715%0.148CC..EExtended strand (participates in β ladder)trans-135.7155.2-176.9-58.7-94000111.1K484 I485 C486 I487 G517 H518 L586 V587 Q588K484-Y520 HydrophobicContact CB-CD2 3.9Å; K484-Y520 HydrophobicContact CB-CE2 3.78Å; K484-Y520 HydrophobicContact CD-CD2 4.44Å; K484-Y520 HydrophobicContact CD-CE2 3.96Å; K484-Y520 HydrophobicContact CG-CD2 4.18Å; K484-Y520 HydrophobicContact CG-CE2 3.58Å; I485-Y520 PolarHBondContact O-N 3.27Å; C486-Y520 CarbonylContact C-O 3.55Å; C486-Y520 WeakPolarHBondContact CA-O 3.3Å; I487-Y520 PolarHBondContact N-O 3.27Å; G517-Y520 WeakPolarHBondContact O-CE2 3.37Å; G517-Y520 VanDerWaalsContact O-CZ 3.27Å; G517-Y520 PolarHBondContact O-OH 3.46Å; H518-Y520 WeakPolarHBondContact O-CD2 3.39Å; H518-Y520 WeakPolarHBondContact O-CE2 3.4Å; Y520-L586 HydrophobicContact CD1-CB 4.07Å; Y520-L586 HydrophobicContact CD1-CD1 4.35Å; Y520-L586 HydrophobicContact CG-CB 4.49Å; Y520-L586 HydrophobicContact CG-CD1 4.33Å; Y520-V587 CarbonylContact C-O 3.48Å; Y520-V587 WeakPolarHBondContact CA-O 3.41Å; Y520-Q588 HydrophobicContact CD1-CB 3.71Å; Y520-Q588 HydrophobicContact CD1-CG 3.96Å; Y520-Q588 HydrophobicContact CE1-CB 3.6Å; Y520-Q588 HydrophobicContact CE1-CG 3.53Å; Y520-Q588 PolarHBondContact OH-NE2 2.99Å; Y520-Q588 VanDerWaalsContact OH-NE2 3.12Å
521V94.6Very high91.5Very high30 Ų3031.2 Ų31.218%0.18215%0.15CC..EExtended strand (participates in β ladder)trans-113.2126.2167.7176.50000108.2I487 L586 V587 L589I487-V521 HydrophobicContact CB-CG2 4.18Å; I487-V521 HydrophobicContact CD1-CG2 4.05Å; V521-L586 CarbonylContact O-C 3.59Å; V521-L586 WeakPolarHBondContact O-CA 3.49Å; V521-V587 HydrophobicContact CB-CB 4.5Å; V521-V587 PolarHBondContact N-O 2.86Å; V521-V587 PolarHBondContact O-N 3.47Å; V521-L589 HydrophobicContact CG2-CD1 3.57Å
522A93.1Very high91.2Very high4 Ų432.1 Ų32.13%0.03318%0.179CC..EExtended strand (participates in β ladder)trans-80136.5175.900000110.5I487 L488 P524 T578 L586I487-A522 PolarHBondContact O-N 3.45Å; L488-A522 HydrophobicContact CB-CB 4.4Å; L488-A522 HydrophobicContact CD1-CB 3.93Å; A522-P524 VanDerWaalsContact O-CD 3.25Å; A522-P524 WeakPolarHBondContact O-CD 3.3Å; A522-T578 HydrophobicContact CB-CG2 3.97Å; A522-L586 HydrophobicContact CB-CD2 3.84Å
523L88.4Confident90.8Very high65 Ų6542 Ų4234%0.3422%0.221SC..  trans-110.790.9178.4-62.1-179.7000110.1L539 R585 V587L523-L539 HydrophobicContact CB-CD2 3.61Å; L523-L539 HydrophobicContact CD1-CD2 4.2Å; L523-R585 HydrophobicContact CB-CB 4.31Å; L523-R585 PolarHBondContact N-O 2.69Å; L523-R585 VanDerWaalsContact N-O 3.1Å; L523-V587 HydrophobicContact CD1-CG2 3.5Å; L523-V587 VanDerWaalsContact CD1-CG2 3.5Å; L523-V587 HydrophobicContact CD2-CG2 4.32Å; L523-V587 HydrophobicContact CG-CG2 3.92Å
524P86.2Confident90.3Very high22 Ų2245.6 Ų45.614%0.14324%0.238CC..  trans-65.8152.6172.430.2-36000110.8A522 L566 M569 T578A522-P524 VanDerWaalsContact O-CD 3.25Å; A522-P524 WeakPolarHBondContact O-CD 3.3Å; P524-L566 HydrophobicContact CB-CD2 3.72Å; P524-L566 HydrophobicContact CG-CD2 3.89Å; P524-M569 HydrophobicContact CB-CE 4.46Å; P524-T578 HydrophobicContact CB-CG2 4.35Å
525P86.2Confident89.9Confident6 Ų648.4 Ų48.44%0.03926%0.255CS..  trans-71.2142.917728.9-34.7000112Y537 L539 F563 M569 T577P525-Y537 HydrophobicContact CB-CD1 4.3Å; P525-Y537 HydrophobicContact CB-CG 4.48Å; P525-Y537 HydrophobicContact CG-CD1 3.89Å; P525-Y537 HydrophobicContact CG-CG 4.28Å; P525-L539 HydrophobicContact CB-CD1 4.4Å; P525-F563 WeakPolarHBondContact O-CD2 3.36Å; P525-M569 HydrophobicContact CG-CE 3.69Å; P525-M569 WeakPolarHBondContact O-CE 3.44Å; P525-T577 HydrophobicContact CG-CG2 3.69Å
526L85.3Confident89.7Confident43 Ų4346.9 Ų46.923%0.22525%0.247CC..SBendtrans-79.9-30.6173.4-68.2-176.3000112.2A491 A538 L539 R562 F563A491-L526 HydrophobicContact CB-CD2 3.6Å; L526-A538 PolarHBondContact N-O 3.38Å; L526-L539 WeakPolarHBondContact CD1-O 3.38Å; L526-L539 WeakPolarHBondContact CG-O 3.39Å; L526-R562 WeakPolarHBondContact O-CA 3.45Å; L526-F563 PolarHBondContact O-N 3.01Å
527Y87.7Confident89.5Confident19 Ų1943.2 Ų43.28%0.07523%0.229CC..EExtended strand (participates in β ladder)trans-128.5143.4-173.9-57.5-74.9000112.4Y537 A538 E541 K544 V560 Q561 R562Y527-Y537 VanDerWaalsContact O-CA 3.28Å; Y527-Y537 WeakPolarHBondContact O-CA 3.33Å; Y527-A538 HydrophobicContact CD2-CB 4.45Å; Y527-A538 PolarHBondContact N-O 3.29Å; Y527-A538 PolarHBondContact O-N 3.36Å; Y527-E541 WeakPolarHBondContact CE2-OE2 3.37Å; Y527-E541 PolarHBondContact OH-OE2 3.04Å; Y527-K544 HydrophobicContact CD1-CD 3.78Å; Y527-K544 HydrophobicContact CD2-CB 3.85Å; Y527-K544 HydrophobicContact CD2-CD 3.92Å; Y527-K544 HydrophobicContact CD2-CG 4.42Å; Y527-K544 HydrophobicContact CE1-CD 3.92Å; Y527-K544 HydrophobicContact CE2-CB 4.37Å; Y527-K544 HydrophobicContact CE2-CD 4.05Å; Y527-K544 HydrophobicContact CG-CB 4.18Å; Y527-K544 HydrophobicContact CG-CD 3.79Å; Y527-K544 HydrophobicContact CG-CG 4.35Å; Y527-V560 HydrophobicContact CD1-CG1 4.15Å; Y527-Q561 CarbonylContact C-O 3.6Å; Y527-Q561 WeakPolarHBondContact CA-O 3.31Å; Y527-R562 HydrophobicContact CD1-CB 3.93Å; Y527-R562 HydrophobicContact CD1-CG 3.97Å; Y527-R562 HydrophobicContact CE1-CB 3.84Å; Y527-R562 HydrophobicContact CE1-CG 3.58Å
528R89.3Confident89.1Confident55 Ų5542.8 Ų42.821%0.20822%0.224CC..EExtended strand (participates in β ladder)trans-115.6131.7164173.2-178.6174.4-156.50.7108.9D530 V535 Y536 Y537 V560 Q561 F563R528-D530 IonicContact CZ-OD1 3.09Å; R528-D530 IonicContact CZ-OD2 2.72Å; R528-D530 IonicContact NE-OD1 2.88Å; R528-D530 PolarHBondContact NE-OD1 3.16Å; R528-D530 IonicContact NE-OD2 3.69Å; R528-D530 PolarHBondContact NE-OD2 2.88Å; R528-D530 IonicContact NH1-OD2 3.82Å; R528-D530 IonicContact NH2-OD1 2.77Å; R528-D530 PolarHBondContact NH2-OD1 3.39Å; R528-D530 IonicContact NH2-OD2 3.56Å; R528-D530 PolarHBondContact NH2-OD2 3.35Å; R528-V535 HydrophobicContact CG-CG1 3.82Å; R528-Y536 CarbonylContact C-O 3.55Å; R528-Y536 WeakPolarHBondContact CA-O 3.32Å; R528-Y537 HydrophobicContact CB-CD1 4.02Å; R528-Y537 HydrophobicContact CB-CE1 3.99Å; R528-Y537 HydrophobicContact CG-CD1 4.32Å; R528-Y537 HydrophobicContact CG-CE1 3.95Å; R528-V560 CarbonylContact O-C 3.58Å; R528-V560 WeakPolarHBondContact O-CA 3.48Å; R528-Q561 HydrophobicContact CB-CB 4.35Å; R528-Q561 PolarHBondContact N-O 2.86Å; R528-Q561 PolarHBondContact O-N 2.66Å; R528-F563 HydrophobicContact CB-CE2 3.57Å; R528-F563 HydrophobicContact CB-CZ 3.69Å
529I91.3Very high88.4Confident0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-122.4110.2-178.5-54.5163.7000107.6Y536 K544 V547 L548 L551 P558 N559 V560I529-Y536 PolarHBondContact N-O 2.64Å; I529-Y536 PolarHBondContact O-N 3.32Å; I529-K544 HydrophobicContact CD1-CB 4.36Å; I529-K544 HydrophobicContact CD1-CG 4.14Å; I529-V547 HydrophobicContact CB-CG1 4.4Å; I529-V547 HydrophobicContact CD1-CB 3.69Å; I529-V547 HydrophobicContact CD1-CG1 3.52Å; I529-V547 HydrophobicContact CD1-CG2 4.5Å; I529-V547 HydrophobicContact CG2-CG1 4.4Å; I529-L548 HydrophobicContact CD1-CG 4.41Å; I529-L548 HydrophobicContact CG2-CD2 4Å; I529-L551 HydrophobicContact CG2-CD1 3.54Å; I529-P558 HydrophobicContact CG2-CB 3.86Å; I529-N559 CarbonylContact C-O 3.46Å; I529-N559 WeakPolarHBondContact CA-O 3.35Å; I529-V560 HydrophobicContact CG1-CG1 4.25Å; I529-V560 HydrophobicContact CG1-CG2 4.22Å; I529-V560 HydrophobicContact CG2-CG2 4.36Å
530D90.2Very high87.6Confident24 Ų2444.4 Ų44.413%0.12824%0.236CC..EExtended strand (participates in β ladder)trans-99.7127.3179.1-60.4-69.4000110.5R528 E534 V535 P558 N559R528-D530 IonicContact CZ-OD1 3.09Å; R528-D530 IonicContact CZ-OD2 2.72Å; R528-D530 IonicContact NE-OD1 2.88Å; R528-D530 PolarHBondContact NE-OD1 3.16Å; R528-D530 IonicContact NE-OD2 3.69Å; R528-D530 PolarHBondContact NE-OD2 2.88Å; R528-D530 IonicContact NH1-OD2 3.82Å; R528-D530 IonicContact NH2-OD1 2.77Å; R528-D530 PolarHBondContact NH2-OD1 3.39Å; R528-D530 IonicContact NH2-OD2 3.56Å; R528-D530 PolarHBondContact NH2-OD2 3.35Å; D530-E534 WeakPolarHBondContact CA-O 3.28Å; D530-V535 WeakPolarHBondContact OD1-CG2 3.39Å; D530-P558 CarbonylContact O-C 3.59Å; D530-P558 WeakPolarHBondContact O-CA 3.4Å; D530-N559 HydrophobicContact CB-CB 4.39Å; D530-N559 PolarHBondContact N-O 3.28Å; D530-N559 PolarHBondContact O-N 3.21Å
531L88.8Confident86.8Confident13 Ų1346 Ų467%0.06825%0.245CC..EExtended strand (participates in β ladder)trans-126.193.4169.4-172.570.9000109.7K533 E534 L551 K554 P558L531-K533 PolarHBondContact O-N 2.98Å; L531-E534 PolarHBondContact N-O 3.48Å; L531-E534 PolarHBondContact O-N 3.14Å; L531-E534 VanDerWaalsContact O-N 3.08Å; L531-L551 HydrophobicContact CB-CD2 4.23Å; L531-L551 HydrophobicContact CD2-CB 4.3Å; L531-L551 HydrophobicContact CD2-CD2 3.55Å; L531-L551 HydrophobicContact CD2-CG 4.39Å; L531-K554 HydrophobicContact CD2-CB 3.57Å; L531-K554 HydrophobicContact CD2-CD 4.05Å; L531-K554 HydrophobicContact CD2-CG 4.41Å; L531-P558 HydrophobicContact CD1-CB 4.32Å
532G86Confident86.2Confident83 Ų8350.8 Ų50.886%0.85627%0.265SS*.THydrogen-bonded Turntrans67.3-105-176.400000111.7
533K83.7Confident85.7Confident214 Ų21453.4 Ų53.493%0.9328%0.277SS*.THydrogen-bonded Turntrans-100.2-11.3175.8-67.5-175.4178.6-178.70113.3L531L531-K533 PolarHBondContact O-N 2.98Å
534E83.3Confident85.7Confident75 Ų7552.2 Ų52.235%0.3527%0.268SS..EExtended strand (participates in β ladder)trans-85.8134.4-179.7-59.3-179.2168.300109.7D530 L531 Y536 K554D530-E534 WeakPolarHBondContact CA-O 3.28Å; L531-E534 PolarHBondContact N-O 3.48Å; L531-E534 PolarHBondContact O-N 3.14Å; L531-E534 VanDerWaalsContact O-N 3.08Å; E534-Y536 HydrophobicContact CB-CD2 4.46Å; E534-Y536 HydrophobicContact CB-CE2 3.61Å; E534-Y536 PolarHBondContact OE2-OH 3.37Å; E534-K554 IonicContact OE1-NZ 3.18Å; E534-K554 PolarHBondContact OE1-NZ 2.63Å; E534-K554 IonicContact OE2-NZ 3.33Å; E534-K554 PolarHBondContact OE2-NZ 3.01Å
535V86.7Confident85.7Confident61 Ų6157 Ų5737%0.3729%0.289SS..EExtended strand (participates in β ladder)trans-122.8126.1178.5-173.10000108.1R528 D530 Y537R528-V535 HydrophobicContact CG-CG1 3.82Å; D530-V535 WeakPolarHBondContact OD1-CG2 3.39Å; V535-Y537 HydrophobicContact CG1-CE1 4.34Å; V535-Y537 HydrophobicContact CG1-CE2 3.95Å
536Y87.4Confident85.5Confident61 Ų6158.5 Ų58.524%0.23931%0.305CS..EExtended strand (participates in β ladder)trans-117.9153.4175.7-56.3-97.4000109.4R528 I529 E534 V547 L551 K554R528-Y536 CarbonylContact C-O 3.55Å; R528-Y536 WeakPolarHBondContact CA-O 3.32Å; I529-Y536 PolarHBondContact N-O 2.64Å; I529-Y536 PolarHBondContact O-N 3.32Å; E534-Y536 HydrophobicContact CB-CD2 4.46Å; E534-Y536 HydrophobicContact CB-CE2 3.61Å; E534-Y536 PolarHBondContact OE2-OH 3.37Å; Y536-V547 HydrophobicContact CD1-CG1 4.13Å; Y536-V547 HydrophobicContact CD2-CG1 4.37Å; Y536-V547 HydrophobicContact CG-CG1 3.81Å; Y536-L551 HydrophobicContact CD2-CD1 3.97Å; Y536-L551 HydrophobicContact CD2-CD2 4.13Å; Y536-L551 HydrophobicContact CE2-CD1 4.11Å; Y536-L551 HydrophobicContact CE2-CD2 3.41Å; Y536-L551 VanDerWaalsContact CE2-CD2 3.41Å; Y536-L551 HydrophobicContact CE2-CG 4.28Å; Y536-K554 PolarHBondContact OH-NZ 3.14Å; Y536-K554 VanDerWaalsContact OH-NZ 3.13Å
537Y87.9Confident85.5Confident46 Ų4657.5 Ų57.518%0.1830%0.301CS..EExtended strand (participates in β ladder)trans-128.4139.4177.1-62.2-81000109.9P525 Y527 R528 V535 F563 T577P525-Y537 HydrophobicContact CB-CD1 4.3Å; P525-Y537 HydrophobicContact CB-CG 4.48Å; P525-Y537 HydrophobicContact CG-CD1 3.89Å; P525-Y537 HydrophobicContact CG-CG 4.28Å; Y527-Y537 VanDerWaalsContact O-CA 3.28Å; Y527-Y537 WeakPolarHBondContact O-CA 3.33Å; R528-Y537 HydrophobicContact CB-CD1 4.02Å; R528-Y537 HydrophobicContact CB-CE1 3.99Å; R528-Y537 HydrophobicContact CG-CD1 4.32Å; R528-Y537 HydrophobicContact CG-CE1 3.95Å; V535-Y537 HydrophobicContact CG1-CE1 4.34Å; V535-Y537 HydrophobicContact CG1-CE2 3.95Å; Y537-F563 HydrophobicContact CD1-CE2 4.31Å; Y537-F563 HydrophobicContact CE1-CE2 4.29Å; Y537-F563 HydrophobicContact CE1-CZ 4.41Å; Y537-T577 HydrophobicContact CD1-CG2 3.57Å; Y537-T577 HydrophobicContact CD2-CG2 3.65Å; Y537-T577 HydrophobicContact CE1-CG2 3.47Å; Y537-T577 VanDerWaalsContact CE1-CG2 3.47Å; Y537-T577 HydrophobicContact CE2-CG2 3.55Å; Y537-T577 HydrophobicContact CG-CG2 3.64Å; Y537-T577 VanDerWaalsContact CZ-CG2 3.45Å
538A84.6Confident85.5Confident0 Ų058.6 Ų58.60%031%0.308CS..EExtended strand (participates in β ladder)trans-129.4138.3177.500000110.4L526 Y527 E543 K544L526-A538 PolarHBondContact N-O 3.38Å; Y527-A538 HydrophobicContact CD2-CB 4.45Å; Y527-A538 PolarHBondContact N-O 3.29Å; Y527-A538 PolarHBondContact O-N 3.36Å; A538-E543 HydrophobicContact CB-CB 3.68Å; A538-K544 HydrophobicContact CB-CB 3.93Å
539L81.9Confident85.2Confident23 Ų2361.2 Ų61.212%0.1232%0.322CS..SBendtrans-91.6-23.3179.5-80.277.5000112.8L523 P525 L526 E543 R585L523-L539 HydrophobicContact CB-CD2 3.61Å; L523-L539 HydrophobicContact CD1-CD2 4.2Å; P525-L539 HydrophobicContact CB-CD1 4.4Å; L526-L539 WeakPolarHBondContact CD1-O 3.38Å; L526-L539 WeakPolarHBondContact CG-O 3.39Å; L539-E543 WeakPolarHBondContact CB-OE2 3.47Å; L539-E543 PolarHBondContact N-OE2 2.89Å; L539-R585 HydrophobicContact CD2-CB 4.45Å
540T79.7Confident84.8Confident54 Ų5466.4 Ų66.433%0.33135%0.347SS..SBendtrans-130.1167.7-179.6780000110.6E542 E543 K544T540-E542 VanDerWaalsContact C-N 3.31Å; T540-E542 WeakPolarHBondContact CB-OE2 3.45Å; T540-E542 PolarHBondContact OG1-N 2.79Å; T540-E542 PolarHBondContact OG1-OE2 2.86Å; T540-E543 PolarHBondContact O-N 2.93Å; T540-E543 PolarHBondContact OG1-N 3.27Å; T540-E543 VanDerWaalsContact OG1-N 3.16Å; T540-K544 PolarHBondContact O-N 2.91Å; T540-K544 VanDerWaalsContact O-N 3.09Å
541E81.3Confident84.6Confident69 Ų6965.5 Ų65.532%0.32234%0.342SS..Hα-helixtrans-64.1-39.7175.4-166.364.1-161.900110.8Y527 E543 K544 E545Y527-E541 WeakPolarHBondContact CE2-OE2 3.37Å; Y527-E541 PolarHBondContact OH-OE2 3.04Å; E541-E543 PolarHBondContact O-N 3.43Å; E541-K544 WeakPolarHBondContact O-CB 3.4Å; E541-K544 PolarHBondContact O-N 3.04Å; E541-K544 VanDerWaalsContact O-N 3.13Å; E541-K544 WeakPolarHBondContact OE1-CE 3.31Å; E541-K544 IonicContact OE1-NZ 3.37Å; E541-K544 PolarHBondContact OE1-NZ 3.24Å; E541-K544 IonicContact OE2-NZ 2.69Å; E541-E545 WeakPolarHBondContact O-CG 3.42Å; E541-E545 PolarHBondContact O-N 2.8Å
542E81Confident84.2Confident130 Ų13072 Ų7261%0.60737%0.369SS*.Hα-helixtrans-63.9-40.5177.6-53.478.9-172.400111.6T540 K544 E545 G546T540-E542 VanDerWaalsContact C-N 3.31Å; T540-E542 WeakPolarHBondContact CB-OE2 3.45Å; T540-E542 PolarHBondContact OG1-N 2.79Å; T540-E542 PolarHBondContact OG1-OE2 2.86Å; E542-K544 VanDerWaalsContact C-N 3.32Å; E542-K544 PolarHBondContact O-N 3.48Å; E542-E545 PolarHBondContact O-N 2.96Å; E542-G546 PolarHBondContact O-N 3.46Å
543E83.3Confident83.9Confident59 Ų5979 Ų7928%0.27637%0.37SS..Hα-helixtrans-63.2-40.1174.3-75.3-166.3162.100111.5A538 L539 T540 E541 G546 V547 R585A538-E543 HydrophobicContact CB-CB 3.68Å; L539-E543 WeakPolarHBondContact CB-OE2 3.47Å; L539-E543 PolarHBondContact N-OE2 2.89Å; T540-E543 PolarHBondContact O-N 2.93Å; T540-E543 PolarHBondContact OG1-N 3.27Å; T540-E543 VanDerWaalsContact OG1-N 3.16Å; E541-E543 PolarHBondContact O-N 3.43Å; E543-G546 PolarHBondContact O-N 3.36Å; E543-V547 VanDerWaalsContact O-CG2 3.3Å; E543-V547 WeakPolarHBondContact O-CG2 3.48Å; E543-V547 PolarHBondContact O-N 3.28Å; E543-R585 IonicContact OE1-CZ 2.65Å; E543-R585 IonicContact OE1-NH1 3.3Å; E543-R585 PolarHBondContact OE1-NH1 3.23Å; E543-R585 IonicContact OE1-NH2 3.7Å; E543-R585 PolarHBondContact OE1-NH2 2.81Å; E543-R585 IonicContact OE2-NH1 2.64Å; E543-R585 PolarHBondContact OE2-NH1 3.43Å; E543-R585 IonicContact OE2-NH2 3.29Å
544K87.9Confident83.8Confident39 Ų3973.2 Ų73.217%0.1735%0.345CS..Hα-helixtrans-62.9-46.8176164.1-169.5156.5-160.70110.5Y527 I529 A538 T540 E541 E542 G546 V547 L548 V560Y527-K544 HydrophobicContact CD1-CD 3.78Å; Y527-K544 HydrophobicContact CD2-CB 3.85Å; Y527-K544 HydrophobicContact CD2-CD 3.92Å; Y527-K544 HydrophobicContact CD2-CG 4.42Å; Y527-K544 HydrophobicContact CE1-CD 3.92Å; Y527-K544 HydrophobicContact CE2-CB 4.37Å; Y527-K544 HydrophobicContact CE2-CD 4.05Å; Y527-K544 HydrophobicContact CG-CB 4.18Å; Y527-K544 HydrophobicContact CG-CD 3.79Å; Y527-K544 HydrophobicContact CG-CG 4.35Å; I529-K544 HydrophobicContact CD1-CB 4.36Å; I529-K544 HydrophobicContact CD1-CG 4.14Å; A538-K544 HydrophobicContact CB-CB 3.93Å; T540-K544 PolarHBondContact O-N 2.91Å; T540-K544 VanDerWaalsContact O-N 3.09Å; E541-K544 WeakPolarHBondContact O-CB 3.4Å; E541-K544 PolarHBondContact O-N 3.04Å; E541-K544 VanDerWaalsContact O-N 3.13Å; E541-K544 WeakPolarHBondContact OE1-CE 3.31Å; E541-K544 IonicContact OE1-NZ 3.37Å; E541-K544 PolarHBondContact OE1-NZ 3.24Å; E541-K544 IonicContact OE2-NZ 2.69Å; E542-K544 VanDerWaalsContact C-N 3.32Å; E542-K544 PolarHBondContact O-N 3.48Å; K544-G546 VanDerWaalsContact C-N 3.35Å; K544-V547 PolarHBondContact O-N 2.84Å; K544-L548 HydrophobicContact CG-CD1 3.94Å; K544-L548 HydrophobicContact CG-CG 4.46Å; K544-L548 WeakPolarHBondContact O-CB 3.47Å; K544-L548 VanDerWaalsContact O-CG 3.27Å; K544-L548 WeakPolarHBondContact O-CG 3.48Å; K544-L548 PolarHBondContact O-N 2.87Å; K544-V560 HydrophobicContact CD-CG1 4.17Å
545E86.1Confident83.6Confident124 Ų12479.9 Ų79.958%0.57937%0.373SS*.Hα-helixtrans-60.8-44.3177.4-71.9-169.4163.600111.6E541 E542 V547 L548 E549E541-E545 WeakPolarHBondContact O-CG 3.42Å; E541-E545 PolarHBondContact O-N 2.8Å; E542-E545 PolarHBondContact O-N 2.96Å; E545-V547 PolarHBondContact O-N 2.89Å; E545-L548 PolarHBondContact O-N 3.35Å; E545-E549 WeakPolarHBondContact O-CB 3.14Å; E545-E549 PolarHBondContact O-N 3.43Å
546G82Confident83.4Confident36 Ų3679.4 Ų79.437%0.37138%0.381SS..Hα-helixtrans-58.5-45.7175.500000112.7E542 E543 K544 E549 Q550E542-G546 PolarHBondContact O-N 3.46Å; E543-G546 PolarHBondContact O-N 3.36Å; K544-G546 VanDerWaalsContact C-N 3.35Å; G546-E549 PolarHBondContact O-N 3.38Å; G546-Q550 WeakPolarHBondContact O-CG 3.47Å; G546-Q550 PolarHBondContact O-N 2.84Å; G546-Q550 VanDerWaalsContact O-N 3.1Å
547V85.6Confident83.2Confident23 Ų2385.9 Ų85.914%0.13941%0.41CS..Hα-helixtrans-64.6-42.5175.91730000111.1I529 Y536 E543 K544 E545 E549 Q550 L551I529-V547 HydrophobicContact CB-CG1 4.4Å; I529-V547 HydrophobicContact CD1-CB 3.69Å; I529-V547 HydrophobicContact CD1-CG1 3.52Å; I529-V547 HydrophobicContact CD1-CG2 4.5Å; I529-V547 HydrophobicContact CG2-CG1 4.4Å; Y536-V547 HydrophobicContact CD1-CG1 4.13Å; Y536-V547 HydrophobicContact CD2-CG1 4.37Å; Y536-V547 HydrophobicContact CG-CG1 3.81Å; E543-V547 VanDerWaalsContact O-CG2 3.3Å; E543-V547 WeakPolarHBondContact O-CG2 3.48Å; E543-V547 PolarHBondContact O-N 3.28Å; K544-V547 PolarHBondContact O-N 2.84Å; E545-V547 PolarHBondContact O-N 2.89Å; V547-E549 VanDerWaalsContact C-N 3.34Å; V547-E549 PolarHBondContact O-N 3.37Å; V547-Q550 PolarHBondContact O-N 3.18Å; V547-L551 HydrophobicContact CG1-CD1 3.74Å; V547-L551 HydrophobicContact CG1-CG 4.29Å; V547-L551 WeakPolarHBondContact O-CB 3.45Å; V547-L551 VanDerWaalsContact O-CG 3.23Å; V547-L551 WeakPolarHBondContact O-CG 3.28Å; V547-L551 PolarHBondContact O-N 2.9Å
548L87.2Confident83.3Confident42 Ų4285.5 Ų85.522%0.2241%0.413CS..Hα-helixtrans-63.3-39.1177.6-72.6173.5000112.1I529 K544 E545 L551 K552 P558 V560I529-L548 HydrophobicContact CD1-CG 4.41Å; I529-L548 HydrophobicContact CG2-CD2 4Å; K544-L548 HydrophobicContact CG-CD1 3.94Å; K544-L548 HydrophobicContact CG-CG 4.46Å; K544-L548 WeakPolarHBondContact O-CB 3.47Å; K544-L548 VanDerWaalsContact O-CG 3.27Å; K544-L548 WeakPolarHBondContact O-CG 3.48Å; K544-L548 PolarHBondContact O-N 2.87Å; E545-L548 PolarHBondContact O-N 3.35Å; L548-L551 PolarHBondContact O-N 3.43Å; L548-K552 PolarHBondContact O-N 2.88Å; L548-K552 VanDerWaalsContact O-N 3.08Å; L548-P558 HydrophobicContact CD2-CB 3.92Å; L548-P558 HydrophobicContact CD2-CG 3.62Å; L548-V560 HydrophobicContact CD1-CG2 4.33Å; L548-V560 HydrophobicContact CD2-CG2 3.89Å
549E84.4Confident83.6Confident109 Ų10990.4 Ų90.451%0.50944%0.439SS..Hα-helixtrans-63.8-42.3176.4-167.860.3-149.300111.6E545 G546 V547 L551 K552E545-E549 WeakPolarHBondContact O-CB 3.14Å; E545-E549 PolarHBondContact O-N 3.43Å; G546-E549 PolarHBondContact O-N 3.38Å; V547-E549 VanDerWaalsContact C-N 3.34Å; V547-E549 PolarHBondContact O-N 3.37Å; E549-L551 VanDerWaalsContact C-N 3.32Å; E549-L551 PolarHBondContact O-N 2.73Å; E549-K552 WeakPolarHBondContact O-CB 3.09Å; E549-K552 PolarHBondContact O-N 3.24Å; E549-K552 IonicContact OE1-NZ 2.83Å; E549-K552 WeakPolarHBondContact OE2-CD 3.42Å; E549-K552 VanDerWaalsContact OE2-CE 3.31Å; E549-K552 WeakPolarHBondContact OE2-CE 3.25Å; E549-K552 IonicContact OE2-NZ 3.88Å; E549-K552 PolarHBondContact OE2-NZ 3.38Å
550Q82Confident84.1Confident110 Ų11091.8 Ų91.851%0.51445%0.448SS..Hα-helixtrans-62.6-40.1173.7-70.3-177.7-4.100111.8G546 V547 K552 R553G546-Q550 WeakPolarHBondContact O-CG 3.47Å; G546-Q550 PolarHBondContact O-N 2.84Å; G546-Q550 VanDerWaalsContact O-N 3.1Å; V547-Q550 PolarHBondContact O-N 3.18Å; Q550-K552 VanDerWaalsContact C-N 3.32Å; Q550-K552 PolarHBondContact O-N 2.98Å; Q550-R553 PolarHBondContact O-N 3.22Å
551L85.9Confident84.5Confident4 Ų492.6 Ų92.62%0.02145%0.448CS..Hα-helixtrans-72.9-19.5-178.7-68.3171.3000113.8I529 L531 Y536 V547 L548 E549 R553 K554 P558I529-L551 HydrophobicContact CG2-CD1 3.54Å; L531-L551 HydrophobicContact CB-CD2 4.23Å; L531-L551 HydrophobicContact CD2-CB 4.3Å; L531-L551 HydrophobicContact CD2-CD2 3.55Å; L531-L551 HydrophobicContact CD2-CG 4.39Å; Y536-L551 HydrophobicContact CD2-CD1 3.97Å; Y536-L551 HydrophobicContact CD2-CD2 4.13Å; Y536-L551 HydrophobicContact CE2-CD1 4.11Å; Y536-L551 HydrophobicContact CE2-CD2 3.41Å; Y536-L551 VanDerWaalsContact CE2-CD2 3.41Å; Y536-L551 HydrophobicContact CE2-CG 4.28Å; V547-L551 HydrophobicContact CG1-CD1 3.74Å; V547-L551 HydrophobicContact CG1-CG 4.29Å; V547-L551 WeakPolarHBondContact O-CB 3.45Å; V547-L551 VanDerWaalsContact O-CG 3.23Å; V547-L551 WeakPolarHBondContact O-CG 3.28Å; V547-L551 PolarHBondContact O-N 2.9Å; L548-L551 PolarHBondContact O-N 3.43Å; E549-L551 VanDerWaalsContact C-N 3.32Å; E549-L551 PolarHBondContact O-N 2.73Å; L551-R553 PolarHBondContact O-N 3.13Å; L551-R553 VanDerWaalsContact O-N 3.12Å; L551-K554 HydrophobicContact CD2-CD 4.22Å; L551-K554 PolarHBondContact O-N 2.91Å; L551-P558 HydrophobicContact CD1-CB 4.23Å
552K81.3Confident84.8Confident150 Ų15094.1 Ų94.165%0.65245%0.451SS*.THydrogen-bonded Turntrans-57.3-25.6173.2-75.1177.4-175.7169.50113.1L548 E549 Q550 K554L548-K552 PolarHBondContact O-N 2.88Å; L548-K552 VanDerWaalsContact O-N 3.08Å; E549-K552 WeakPolarHBondContact O-CB 3.09Å; E549-K552 PolarHBondContact O-N 3.24Å; E549-K552 IonicContact OE1-NZ 2.83Å; E549-K552 WeakPolarHBondContact OE2-CD 3.42Å; E549-K552 VanDerWaalsContact OE2-CE 3.31Å; E549-K552 WeakPolarHBondContact OE2-CE 3.25Å; E549-K552 IonicContact OE2-NZ 3.88Å; E549-K552 PolarHBondContact OE2-NZ 3.38Å; Q550-K552 VanDerWaalsContact C-N 3.32Å; Q550-K552 PolarHBondContact O-N 2.98Å; K552-K554 VanDerWaalsContact C-N 3.3Å
553R79.5Confident85Confident231 Ų23188.4 Ų88.487%0.87242%0.424SS*.THydrogen-bonded Turntrans-76.4-17.1177-61.1-178.3-177.7176.31.5112.9Q550 L551Q550-R553 PolarHBondContact O-N 3.22Å; L551-R553 PolarHBondContact O-N 3.13Å; L551-R553 VanDerWaalsContact O-N 3.12Å
554K81.6Confident84.7Confident91 Ų9193 Ų9340%0.39644%0.444SS..SBendtrans-96.2151.7179.4-67.1-169.6179.4-1790110.9L531 E534 Y536 L551 K552 G556L531-K554 HydrophobicContact CD2-CB 3.57Å; L531-K554 HydrophobicContact CD2-CD 4.05Å; L531-K554 HydrophobicContact CD2-CG 4.41Å; E534-K554 IonicContact OE1-NZ 3.18Å; E534-K554 PolarHBondContact OE1-NZ 2.63Å; E534-K554 IonicContact OE2-NZ 3.33Å; E534-K554 PolarHBondContact OE2-NZ 3.01Å; Y536-K554 PolarHBondContact OH-NZ 3.14Å; Y536-K554 VanDerWaalsContact OH-NZ 3.13Å; L551-K554 HydrophobicContact CD2-CD 4.22Å; L551-K554 PolarHBondContact O-N 2.91Å; K552-K554 VanDerWaalsContact C-N 3.3Å; K554-G556 PolarHBondContact O-N 3.03Å
555K78.8Confident84.2Confident215 Ų21591.7 Ų91.794%0.93544%0.441SS*.SBendtrans-76118.9175.5-74.5-173.7179.1179.40110.4
556G81.2Confident84Confident52 Ų5286 Ų8654%0.53641%0.414SS..SBendtrans142.8163.4171.300000111.6K554K554-G556 PolarHBondContact O-N 3.03Å
557K85Confident83.6Confident196 Ų19686.2 Ų86.285%0.85242%0.417SS*.PPolyproline II helixtrans-95.5116.7171.6-172.9176.9179.2-178.60108.2
558P88.9Confident83.3Confident38 Ų3889.7 Ų89.725%0.24743%0.431CS..PPolyproline II helixtrans-65.3138.7175.625.5-31.7000110.1I529 D530 L531 L548 L551I529-P558 HydrophobicContact CG2-CB 3.86Å; D530-P558 CarbonylContact O-C 3.59Å; D530-P558 WeakPolarHBondContact O-CA 3.4Å; L531-P558 HydrophobicContact CD1-CB 4.32Å; L548-P558 HydrophobicContact CD2-CB 3.92Å; L548-P558 HydrophobicContact CD2-CG 3.62Å; L551-P558 HydrophobicContact CD1-CB 4.23Å
559N91.1Very high83.2Confident103 Ų10387.9 Ų87.955%0.55142%0.422SS*.EExtended strand (participates in β ladder)trans-99.2122.4171.5-178.436.1000108.8I529 D530I529-N559 CarbonylContact C-O 3.46Å; I529-N559 WeakPolarHBondContact CA-O 3.35Å; D530-N559 HydrophobicContact CB-CB 4.39Å; D530-N559 PolarHBondContact N-O 3.28Å; D530-N559 PolarHBondContact O-N 3.21Å
560V91.5Very high83.3Confident52 Ų5286 Ų8632%0.31542%0.416SS..EExtended strand (participates in β ladder)trans-107119.6-178.5-173.20000109.2Y527 R528 I529 K544 L548Y527-V560 HydrophobicContact CD1-CG1 4.15Å; R528-V560 CarbonylContact O-C 3.58Å; R528-V560 WeakPolarHBondContact O-CA 3.48Å; I529-V560 HydrophobicContact CG1-CG1 4.25Å; I529-V560 HydrophobicContact CG1-CG2 4.22Å; I529-V560 HydrophobicContact CG2-CG2 4.36Å; K544-V560 HydrophobicContact CD-CG1 4.17Å; L548-V560 HydrophobicContact CD1-CG2 4.33Å; L548-V560 HydrophobicContact CD2-CG2 3.89Å
561Q89.9Confident83.7Confident71 Ų7182.5 Ų82.533%0.33240%0.402SS..EExtended strand (participates in β ladder)trans-107.1130.1172179.8179.78.400108.7Y527 R528Y527-Q561 CarbonylContact C-O 3.6Å; Y527-Q561 WeakPolarHBondContact CA-O 3.31Å; R528-Q561 HydrophobicContact CB-CB 4.35Å; R528-Q561 PolarHBondContact N-O 2.86Å; R528-Q561 PolarHBondContact O-N 2.66Å
562R87.3Confident83.8Confident102 Ų10288.5 Ų88.539%0.38543%0.431SS..EExtended strand (participates in β ladder)trans-97.6132.3170.8-173.1177.5-174.8-169.3-3.5109.3L526 Y527 E629L526-R562 WeakPolarHBondContact O-CA 3.45Å; Y527-R562 HydrophobicContact CD1-CB 3.93Å; Y527-R562 HydrophobicContact CD1-CG 3.97Å; Y527-R562 HydrophobicContact CE1-CB 3.84Å; Y527-R562 HydrophobicContact CE1-CG 3.58Å; R562-E629 IonicContact CZ-OE1 2.66Å; R562-E629 IonicContact NH1-OE1 3.64Å; R562-E629 PolarHBondContact NH1-OE1 2.95Å; R562-E629 IonicContact NH1-OE2 3.54Å; R562-E629 PolarHBondContact NH1-OE2 3.44Å; R562-E629 IonicContact NH2-OE1 3.05Å; R562-E629 PolarHBondContact NH2-OE1 3.22Å
563F84.7Confident84.2Confident9 Ų981.9 Ų81.94%0.03940%0.403CS..  trans-88.9132.1172.6-60.5-71.4000109.5P525 L526 R528 Y537 E568 M569P525-F563 WeakPolarHBondContact O-CD2 3.36Å; L526-F563 PolarHBondContact O-N 3.01Å; R528-F563 HydrophobicContact CB-CE2 3.57Å; R528-F563 HydrophobicContact CB-CZ 3.69Å; Y537-F563 HydrophobicContact CD1-CE2 4.31Å; Y537-F563 HydrophobicContact CE1-CE2 4.29Å; Y537-F563 HydrophobicContact CE1-CZ 4.41Å; F563-E568 HydrophobicContact CD1-CB 4.45Å; F563-M569 HydrophobicContact CB-CE 4Å; F563-M569 HydrophobicContact CD1-CE 4.01Å; F563-M569 HydrophobicContact CD1-CG 3.66Å; F563-M569 HydrophobicContact CD2-CE 3.28Å; F563-M569 HydrophobicContact CE1-CE 4.28Å; F563-M569 HydrophobicContact CE1-CG 3.7Å; F563-M569 HydrophobicContact CE2-CE 3.58Å; F563-M569 HydrophobicContact CG-CE 3.49Å; F563-M569 VanDerWaalsContact CG-CE 3.49Å; F563-M569 HydrophobicContact CG-CG 4.11Å; F563-M569 HydrophobicContact CZ-CE 4.08Å; F563-M569 HydrophobicContact CZ-CG 4.17Å
564K76.6Confident84.7Confident157 Ų15771 Ų7168%0.68336%0.362SS*.SBendtrans-95.2-25.5173.9-65.4-174.9175.1-171.10113.3E568K564-E568 PolarHBondContact N-OE2 3.18Å
565G78.7Confident85.2Confident11 Ų1172.4 Ų72.411%0.11337%0.365CS..SBendtrans-160.5163.7178.400000111.4G567 E568G565-G567 PolarHBondContact O-N 2.94Å; G565-E568 PolarHBondContact O-N 3.19Å; G565-E568 VanDerWaalsContact O-N 3.09Å
566L80.6Confident85.6Confident3 Ų366.9 Ų66.92%0.01634%0.342CS..G310 helixtrans-62.5-25.8-178.1-65.9167.6000112.2A422 L488 D490 P524 E568 M569 L574A422-L566 HydrophobicContact CB-CB 3.78Å; A422-L566 HydrophobicContact CB-CD1 4.28Å; L488-L566 HydrophobicContact CD1-CD1 3.59Å; L488-L566 HydrophobicContact CD1-CD2 3.84Å; L488-L566 HydrophobicContact CD1-CG 4.38Å; L488-L566 HydrophobicContact CD2-CD1 4.32Å; L488-L566 HydrophobicContact CG-CD1 3.57Å; D490-L566 WeakPolarHBondContact OD1-CB 3.41Å; D490-L566 VanDerWaalsContact OD1-CD1 3.31Å; D490-L566 WeakPolarHBondContact OD1-CD1 3.28Å; D490-L566 WeakPolarHBondContact OD1-CG 3.46Å; D490-L566 PolarHBondContact OD1-N 2.88Å; P524-L566 HydrophobicContact CB-CD2 3.72Å; P524-L566 HydrophobicContact CG-CD2 3.89Å; L566-E568 VanDerWaalsContact C-N 3.25Å; L566-E568 PolarHBondContact O-N 3.08Å; L566-M569 PolarHBondContact O-N 3.24Å; L566-L574 HydrophobicContact CD2-CD1 3.79Å
567G74.1Confident85.9Confident41 Ų4165 Ų6542%0.42332%0.32SS..G310 helixtrans-67.3-20.1175.900000114.6G565 M569G565-G567 PolarHBondContact O-N 2.94Å; G567-M569 VanDerWaalsContact C-N 3.34Å
568E79.8Confident86.1Confident96 Ų9655.7 Ų55.745%0.44928%0.28SS..G310 helixtrans-81.3-18.3176-62.2-173.7162.600112.5F563 K564 G565 L566F563-E568 HydrophobicContact CD1-CB 4.45Å; K564-E568 PolarHBondContact N-OE2 3.18Å; G565-E568 PolarHBondContact O-N 3.19Å; G565-E568 VanDerWaalsContact O-N 3.09Å; L566-E568 VanDerWaalsContact C-N 3.25Å; L566-E568 PolarHBondContact O-N 3.08Å
569M84.2Confident86.2Confident4 Ų453.9 Ų53.92%0.0227%0.268CS..SBendtrans-79.9129.9175.2-65.6-177.6170.600110P524 P525 F563 L566 G567 Q573 L574P524-M569 HydrophobicContact CB-CE 4.46Å; P525-M569 HydrophobicContact CG-CE 3.69Å; P525-M569 WeakPolarHBondContact O-CE 3.44Å; F563-M569 HydrophobicContact CB-CE 4Å; F563-M569 HydrophobicContact CD1-CE 4.01Å; F563-M569 HydrophobicContact CD1-CG 3.66Å; F563-M569 HydrophobicContact CD2-CE 3.28Å; F563-M569 HydrophobicContact CE1-CE 4.28Å; F563-M569 HydrophobicContact CE1-CG 3.7Å; F563-M569 HydrophobicContact CE2-CE 3.58Å; F563-M569 HydrophobicContact CG-CE 3.49Å; F563-M569 VanDerWaalsContact CG-CE 3.49Å; F563-M569 HydrophobicContact CG-CG 4.11Å; F563-M569 HydrophobicContact CZ-CE 4.08Å; F563-M569 HydrophobicContact CZ-CG 4.17Å; L566-M569 PolarHBondContact O-N 3.24Å; G567-M569 VanDerWaalsContact C-N 3.34Å; M569-Q573 HydrophobicContact CB-CB 4.24Å; M569-L574 HydrophobicContact CB-CB 4.44Å; M569-L574 HydrophobicContact SD-CD1 4.23Å
570N87.3Confident86.2Confident71 Ų7151 Ų5138%0.3825%0.253SS..  trans-67.5158.4167.874.444.5000110M572 Q573 L574N570-M572 PolarHBondContact O-N 3.19Å; N570-M572 VanDerWaalsContact O-N 3.11Å; N570-M572 PolarHBondContact OD1-N 2.94Å; N570-Q573 PolarHBondContact ND2-OE1 3.39Å; N570-Q573 WeakPolarHBondContact O-CB 3.36Å; N570-Q573 PolarHBondContact O-N 3.35Å; N570-Q573 VanDerWaalsContact O-N 3.1Å; N570-Q573 WeakPolarHBondContact OD1-CG 3.36Å; N570-Q573 PolarHBondContact OD1-N 3.19Å; N570-L574 PolarHBondContact O-N 3.41Å
571P89.9Confident86.1Confident35 Ų3551.3 Ų51.323%0.22726%0.256CS..Hα-helixtrans-57.1-30.7-177.2-28.735.7000114.8Q428 A429 R575Q428-P571 HydrophobicContact CB-CB 3.85Å; Q428-P571 HydrophobicContact CB-CG 3.9Å; A429-P571 HydrophobicContact CB-CB 4.15Å; A429-P571 WeakPolarHBondContact CB-O 3.34Å; P571-R575 WeakPolarHBondContact O-CB 3.4Å; P571-R575 PolarHBondContact O-N 3.42Å
572M88.6Confident85.8Confident130 Ų13052.9 Ų52.964%0.6427%0.267SS*.Hα-helixtrans-72-41.6177.8-58.7-163.8-31.500111.7N570 L574 R575 E576N570-M572 PolarHBondContact O-N 3.19Å; N570-M572 VanDerWaalsContact O-N 3.11Å; N570-M572 PolarHBondContact OD1-N 2.94Å; M572-L574 VanDerWaalsContact C-N 3.34Å; M572-L574 PolarHBondContact O-N 3.12Å; M572-R575 WeakPolarHBondContact O-CB 3.48Å; M572-R575 PolarHBondContact O-N 3.37Å; M572-E576 WeakPolarHBondContact O-CB 3.43Å; M572-E576 WeakPolarHBondContact O-CG 3.4Å; M572-E576 PolarHBondContact O-N 2.76Å
573Q89.6Confident85.6Confident12 Ų1251.1 Ų51.16%0.05627%0.267CS..Hα-helixtrans-60.1-46.4174.1-70.9167.9-27.500110.6M569 N570 R575 E576 T577M569-Q573 HydrophobicContact CB-CB 4.24Å; N570-Q573 PolarHBondContact ND2-OE1 3.39Å; N570-Q573 WeakPolarHBondContact O-CB 3.36Å; N570-Q573 PolarHBondContact O-N 3.35Å; N570-Q573 VanDerWaalsContact O-N 3.1Å; N570-Q573 WeakPolarHBondContact OD1-CG 3.36Å; N570-Q573 PolarHBondContact OD1-N 3.19Å; Q573-R575 VanDerWaalsContact C-N 3.28Å; Q573-R575 PolarHBondContact O-N 3.41Å; Q573-E576 PolarHBondContact O-N 3.32Å; Q573-T577 VanDerWaalsContact O-CB 3.29Å; Q573-T577 WeakPolarHBondContact O-CB 3.3Å; Q573-T577 WeakPolarHBondContact O-CG2 3.42Å; Q573-T577 PolarHBondContact O-N 2.89Å; Q573-T577 PolarHBondContact O-OG1 2.81Å
574L90.3Very high85.8Confident1 Ų152.1 Ų52.11%0.00527%0.271CS..Hα-helixtrans-62-38.9178.4-17364.2000111.7A426 A429 L566 M569 N570 M572 T578 L579A426-L574 HydrophobicContact CB-CD2 3.96Å; A429-L574 HydrophobicContact CB-CB 4.19Å; A429-L574 HydrophobicContact CB-CD2 4.26Å; A429-L574 HydrophobicContact CB-CG 4.38Å; L566-L574 HydrophobicContact CD2-CD1 3.79Å; M569-L574 HydrophobicContact CB-CB 4.44Å; M569-L574 HydrophobicContact SD-CD1 4.23Å; N570-L574 PolarHBondContact O-N 3.41Å; M572-L574 VanDerWaalsContact C-N 3.34Å; M572-L574 PolarHBondContact O-N 3.12Å; L574-T578 HydrophobicContact CD1-CG2 4.45Å; L574-T578 WeakPolarHBondContact O-CB 3.19Å; L574-T578 PolarHBondContact O-N 3.41Å; L574-L579 HydrophobicContact CG-CD1 4.36Å; L574-L579 HydrophobicContact CG-CG 4.4Å; L574-L579 PolarHBondContact O-N 2.86Å; L574-L579 VanDerWaalsContact O-N 3.16Å
575R91.1Very high86.3Confident122 Ų12248.5 Ų48.546%0.4625%0.253SS..Iπ-helixtrans-60.5-56.7173.4-177.2178.7179.6159.14111.4A429 P571 M572 Q573 T577 L579 D580A429-R575 HydrophobicContact CB-CB 4.1Å; A429-R575 WeakPolarHBondContact O-CD 3.38Å; A429-R575 WeakPolarHBondContact O-CG 3.3Å; P571-R575 WeakPolarHBondContact O-CB 3.4Å; P571-R575 PolarHBondContact O-N 3.42Å; M572-R575 WeakPolarHBondContact O-CB 3.48Å; M572-R575 PolarHBondContact O-N 3.37Å; Q573-R575 VanDerWaalsContact C-N 3.28Å; Q573-R575 PolarHBondContact O-N 3.41Å; R575-T577 VanDerWaalsContact C-N 3.25Å; R575-T577 PolarHBondContact O-N 2.93Å; R575-L579 PolarHBondContact O-N 2.89Å; R575-D580 VanDerWaalsContact O-CB 3.23Å; R575-D580 WeakPolarHBondContact O-CB 3.41Å; R575-D580 PolarHBondContact O-N 3.24Å
576E87.2Confident87Confident99 Ų9950.1 Ų50.146%0.46326%0.259SS..Iπ-helixtrans-63.9-28.1-175.6-73.6173.3-175.800113.4M572 Q573 T583M572-E576 WeakPolarHBondContact O-CB 3.43Å; M572-E576 WeakPolarHBondContact O-CG 3.4Å; M572-E576 PolarHBondContact O-N 2.76Å; Q573-E576 PolarHBondContact O-N 3.32Å; E576-T583 WeakPolarHBondContact O-CB 3.35Å; E576-T583 PolarHBondContact O-OG1 3.31Å
577T86.6Confident87.5Confident12 Ų1253.4 Ų53.47%0.07428%0.279CS..Iπ-helixtrans-101.8-37-171.759.40000113.6P525 Y537 Q573 R575 R584P525-T577 HydrophobicContact CG-CG2 3.69Å; Y537-T577 HydrophobicContact CD1-CG2 3.57Å; Y537-T577 HydrophobicContact CD2-CG2 3.65Å; Y537-T577 HydrophobicContact CE1-CG2 3.47Å; Y537-T577 VanDerWaalsContact CE1-CG2 3.47Å; Y537-T577 HydrophobicContact CE2-CG2 3.55Å; Y537-T577 HydrophobicContact CG-CG2 3.64Å; Y537-T577 VanDerWaalsContact CZ-CG2 3.45Å; Q573-T577 VanDerWaalsContact O-CB 3.29Å; Q573-T577 WeakPolarHBondContact O-CB 3.3Å; Q573-T577 WeakPolarHBondContact O-CG2 3.42Å; Q573-T577 PolarHBondContact O-N 2.89Å; Q573-T577 PolarHBondContact O-OG1 2.81Å; R575-T577 VanDerWaalsContact C-N 3.25Å; R575-T577 PolarHBondContact O-N 2.93Å; T577-R584 WeakPolarHBondContact O-CA 3.47Å
578T89Confident88.6Confident0 Ų055.6 Ų55.60%028%0.278CS..Iπ-helixtrans-125.1-32.6-163.1-49.50000112.9L488 A522 P524 L574 R584L488-T578 HydrophobicContact CD1-CG2 3.63Å; A522-T578 HydrophobicContact CB-CG2 3.97Å; P524-T578 HydrophobicContact CB-CG2 4.35Å; L574-T578 HydrophobicContact CD1-CG2 4.45Å; L574-T578 WeakPolarHBondContact O-CB 3.19Å; L574-T578 PolarHBondContact O-N 3.41Å; T578-R584 VanDerWaalsContact O-CB 3.23Å; T578-R584 WeakPolarHBondContact O-CB 3.44Å
579L92Very high89.2Confident1 Ų152.2 Ų52.21%0.00526%0.263CS..Iπ-helixtrans-98.6-32.9-175.7-56.8-179.8000114.1F415 A429 R430 Q435 L488 L574 R575 P581 R584F415-L579 HydrophobicContact CD1-CD2 3.78Å; F415-L579 HydrophobicContact CD2-CD2 4.25Å; F415-L579 HydrophobicContact CE1-CD2 3.54Å; F415-L579 HydrophobicContact CE2-CD2 4.05Å; F415-L579 HydrophobicContact CG-CD2 4.13Å; F415-L579 HydrophobicContact CZ-CD2 3.69Å; A429-L579 HydrophobicContact CB-CD1 3.52Å; R430-L579 HydrophobicContact CB-CD1 4.41Å; Q435-L579 PolarHBondContact NE2-O 3.43Å; L488-L579 HydrophobicContact CD2-CD2 4.32Å; L574-L579 HydrophobicContact CG-CD1 4.36Å; L574-L579 HydrophobicContact CG-CG 4.4Å; L574-L579 PolarHBondContact O-N 2.86Å; L574-L579 VanDerWaalsContact O-N 3.16Å; R575-L579 PolarHBondContact O-N 2.89Å; L579-P581 WeakPolarHBondContact O-CD 3.43Å; L579-R584 PolarHBondContact O-NH1 2.82Å
580D90.3Very high89.6Confident43 Ų4356.2 Ų56.223%0.2329%0.287CS..  trans-69.1121.8-176.6-168.6-44.7000111.1R575 N582 T583 R584R575-D580 VanDerWaalsContact O-CB 3.23Å; R575-D580 WeakPolarHBondContact O-CB 3.41Å; R575-D580 PolarHBondContact O-N 3.24Å; D580-N582 PolarHBondContact O-N 3.45Å; D580-N582 WeakPolarHBondContact OD1-CB 3.38Å; D580-N582 PolarHBondContact OD1-N 2.74Å; D580-N582 PolarHBondContact OD1-ND2 2.87Å; D580-T583 PolarHBondContact O-N 3.37Å; D580-T583 PolarHBondContact O-OG1 2.73Å; D580-R584 VanDerWaalsContact O-CB 3.24Å; D580-R584 WeakPolarHBondContact O-CB 3.45Å; D580-R584 WeakPolarHBondContact O-CG 3.47Å; D580-R584 PolarHBondContact O-N 3.44Å
581P89.9Confident89.5Confident57 Ų5753.6 Ų53.637%0.3727%0.273SS..THydrogen-bonded Turntrans-56.4-22.6-179.9-26.935.8000115.6Y434 L579Y434-P581 HydrophobicContact CE2-CG 4.23Å; Y434-P581 WeakPolarHBondContact OH-CD 3.13Å; Y434-P581 WeakPolarHBondContact OH-CG 3.33Å; L579-P581 WeakPolarHBondContact O-CD 3.43Å
582N84.6Confident89.2Confident105 Ų10556.8 Ų56.856%0.56129%0.288SS*.THydrogen-bonded Turntrans-81.7-25.2-176.9-58.6-62.3000113.5D580D580-N582 PolarHBondContact O-N 3.45Å; D580-N582 WeakPolarHBondContact OD1-CB 3.38Å; D580-N582 PolarHBondContact OD1-N 2.74Å; D580-N582 PolarHBondContact OD1-ND2 2.87Å
583T82.8Confident88.7Confident64 Ų6456.7 Ų56.739%0.39329%0.29SS..THydrogen-bonded Turntrans-119.5-28.4-171.153.40000113.4R340 E576 D580R340-T583 PolarHBondContact NH2-O 2.81Å; E576-T583 WeakPolarHBondContact O-CB 3.35Å; E576-T583 PolarHBondContact O-OG1 3.31Å; D580-T583 PolarHBondContact O-N 3.37Å; D580-T583 PolarHBondContact O-OG1 2.73Å
584R88.8Confident88.1Confident31 Ų3165.1 Ų65.112%0.11733%0.33CS..  trans-63.3161.4-175.274-174.2-179.2-170.6-2.2113.5E413 T577 T578 L579 D580 L586E413-R584 IonicContact OE1-CZ 2.81Å; E413-R584 VanDerWaalsContact OE1-CZ 3.3Å; E413-R584 IonicContact OE1-NH1 2.7Å; E413-R584 PolarHBondContact OE1-NH1 2.85Å; E413-R584 VanDerWaalsContact OE1-NH1 3.09Å; E413-R584 IonicContact OE1-NH2 3.99Å; E413-R584 PolarHBondContact OE1-NH2 3.41Å; E413-R584 IonicContact OE2-CZ 3.17Å; E413-R584 IonicContact OE2-NH1 3.48Å; E413-R584 PolarHBondContact OE2-NH1 3.19Å; E413-R584 IonicContact OE2-NH2 3.55Å; T577-R584 WeakPolarHBondContact O-CA 3.47Å; T578-R584 VanDerWaalsContact O-CB 3.23Å; T578-R584 WeakPolarHBondContact O-CB 3.44Å; L579-R584 PolarHBondContact O-NH1 2.82Å; D580-R584 VanDerWaalsContact O-CB 3.24Å; D580-R584 WeakPolarHBondContact O-CB 3.45Å; D580-R584 WeakPolarHBondContact O-CG 3.47Å; D580-R584 PolarHBondContact O-N 3.44Å; R584-L586 HydrophobicContact CG-CG 4.39Å
585R87Confident87.6Confident81 Ų8168.2 Ų68.231%0.30635%0.346SS..  trans-120.5128.5168.3-69.1178.7178.8174.95.6109.4L523 L539 E543L523-R585 HydrophobicContact CB-CB 4.31Å; L523-R585 PolarHBondContact N-O 2.69Å; L523-R585 VanDerWaalsContact N-O 3.1Å; L539-R585 HydrophobicContact CD2-CB 4.45Å; E543-R585 IonicContact OE1-CZ 2.65Å; E543-R585 IonicContact OE1-NH1 3.3Å; E543-R585 PolarHBondContact OE1-NH1 3.23Å; E543-R585 IonicContact OE1-NH2 3.7Å; E543-R585 PolarHBondContact OE1-NH2 2.81Å; E543-R585 IonicContact OE2-NH1 2.64Å; E543-R585 PolarHBondContact OE2-NH1 3.43Å; E543-R585 IonicContact OE2-NH2 3.29Å
586L92.3Very high87.2Confident45 Ų4564 Ų6424%0.23633%0.333CS..EExtended strand (participates in β ladder)trans-122.8137.1174.5-61.6-178000108Y520 V521 A522 R584Y520-L586 HydrophobicContact CD1-CB 4.07Å; Y520-L586 HydrophobicContact CD1-CD1 4.35Å; Y520-L586 HydrophobicContact CG-CB 4.49Å; Y520-L586 HydrophobicContact CG-CD1 4.33Å; V521-L586 CarbonylContact O-C 3.59Å; V521-L586 WeakPolarHBondContact O-CA 3.49Å; A522-L586 HydrophobicContact CB-CD2 3.84Å; R584-L586 HydrophobicContact CG-CG 4.39Å
587V92.9Very high87.2Confident72 Ų7267.1 Ų67.144%0.43635%0.348SS..EExtended strand (participates in β ladder)trans-97.8120.1168179.20000107.1Y520 V521 L523Y520-V587 CarbonylContact C-O 3.48Å; Y520-V587 WeakPolarHBondContact CA-O 3.41Å; V521-V587 HydrophobicContact CB-CB 4.5Å; V521-V587 PolarHBondContact N-O 2.86Å; V521-V587 PolarHBondContact O-N 3.47Å; L523-V587 HydrophobicContact CD1-CG2 3.5Å; L523-V587 VanDerWaalsContact CD1-CG2 3.5Å; L523-V587 HydrophobicContact CD2-CG2 4.32Å; L523-V587 HydrophobicContact CG-CG2 3.92Å
588Q95.3Very high87.3Confident87 Ų8775.4 Ų75.441%0.40738%0.377SS..EExtended strand (participates in β ladder)trans-79.2132.3175.4-169.4173.534.600109.2G517 Y520 T590G517-Q588 VanDerWaalsContact CA-NE2 3.33Å; G517-Q588 PolarHBondContact O-NE2 3.01Å; Y520-Q588 HydrophobicContact CD1-CB 3.71Å; Y520-Q588 HydrophobicContact CD1-CG 3.96Å; Y520-Q588 HydrophobicContact CE1-CB 3.6Å; Y520-Q588 HydrophobicContact CE1-CG 3.53Å; Y520-Q588 PolarHBondContact OH-NE2 2.99Å; Y520-Q588 VanDerWaalsContact OH-NE2 3.12Å; Q588-T590 HydrophobicContact CG-CG2 4.29Å
589L93.3Very high87.3Confident25 Ų2577.2 Ų77.213%0.13139%0.389CS..PPolyproline II helixtrans-77.1128168.8-87.266.2000108.4C503 V514 V519 V521C503-L589 HydrophobicContact CB-CD2 4.11Å; V514-L589 HydrophobicContact CG1-CB 3.96Å; V519-L589 HydrophobicContact CB-CB 4.31Å; V519-L589 HydrophobicContact CG1-CB 4.48Å; V519-L589 HydrophobicContact CG1-CD1 4.47Å; V519-L589 HydrophobicContact CG1-CD2 3.97Å; V519-L589 PolarHBondContact O-N 3.42Å; V521-L589 HydrophobicContact CG2-CD1 3.57Å
590T92.1Very high87.2Confident88 Ų8879 Ų7954%0.5440%0.398SS..  trans-128.4150.517759.10000109.6Q588Q588-T590 HydrophobicContact CG-CG2 4.29Å
591I86.7Confident87.2Confident15 Ų1579.5 Ų79.58%0.07741%0.408CS..  trans-135.2111.4169.5-59.7167.4000105.9V507 R511 V514 D596V507-I591 HydrophobicContact CB-CD1 4.4Å; V507-I591 HydrophobicContact CG1-CD1 3.92Å; V507-I591 HydrophobicContact CG2-CD1 4.16Å; R511-I591 HydrophobicContact CG-CD1 4.26Å; V514-I591 HydrophobicContact CB-CD1 4.11Å; V514-I591 HydrophobicContact CG1-CD1 3.68Å; V514-I591 HydrophobicContact CG1-CG1 3.67Å; I591-D596 HydrophobicContact CG2-CB 4.32Å; I591-D596 WeakPolarHBondContact CG2-OD1 3.25Å
592D82.1Confident87.3Confident103 Ų10381 Ų8155%0.55141%0.411SS*.  trans-81143.2173.7-63.1-33.4000109.3E594 D595 D596D592-E594 PolarHBondContact O-N 2.89Å; D592-E594 VanDerWaalsContact O-N 3.14Å; D592-D595 CarbonylContact O-C 3.58Å; D592-D595 PolarHBondContact O-N 2.96Å; D592-D596 PolarHBondContact O-N 3.39Å
593D78.6Confident87.7Confident127 Ų12777.3 Ų77.368%0.67939%0.391SS*.THydrogen-bonded Turntrans-61.3-26.5-175.9-73.2-33.9000112.6K515 D596K515-D593 IonicContact NZ-OD1 2.61Å; K515-D593 PolarHBondContact NZ-OD1 3.02Å; D593-D596 WeakPolarHBondContact O-CB 3.3Å
594E77.6Confident88.1Confident189 Ų18976.8 Ų76.888%0.88339%0.386SS*.THydrogen-bonded Turntrans-74-33.1175.9-61.9-173.517600112.9D592D592-E594 PolarHBondContact O-N 2.89Å; D592-E594 VanDerWaalsContact O-N 3.14Å
595D79.9Confident88.3Confident66 Ų6676.1 Ų76.135%0.35338%0.384SS..THydrogen-bonded Turntrans-96.61.6-178.3-86.1-40.6000112.8D592 Q597 R598 T599D592-D595 CarbonylContact O-C 3.58Å; D592-D595 PolarHBondContact O-N 2.96Å; D595-Q597 PolarHBondContact O-N 2.97Å; D595-R598 WeakPolarHBondContact O-CB 3.45Å; D595-R598 PolarHBondContact O-N 2.97Å; D595-R598 WeakPolarHBondContact OD1-CD 3.41Å; D595-R598 IonicContact OD1-NH1 2.63Å; D595-T599 WeakPolarHBondContact O-CB 3.12Å; D595-T599 PolarHBondContact O-N 3.23Å; D595-T599 PolarHBondContact O-OG1 2.9Å
596D82.1Confident88.6Confident33 Ų3374.2 Ų74.218%0.17638%0.38CS..Hα-helixtrans-53.9-49-175.8-161.365.3000112.1R511 K515 I591 D592 D593 T599 D600R511-D596 IonicContact CZ-OD1 2.74Å; R511-D596 IonicContact CZ-OD2 3.86Å; R511-D596 IonicContact NE-OD1 3Å; R511-D596 PolarHBondContact NE-OD1 3.39Å; R511-D596 VanDerWaalsContact NE-OD1 3.17Å; R511-D596 IonicContact NE-OD2 3.86Å; R511-D596 IonicContact NH1-OD2 3.1Å; R511-D596 IonicContact NH2-OD1 3.54Å; R511-D596 PolarHBondContact NH2-OD1 2.89Å; R511-D596 IonicContact NH2-OD2 3.4Å; R511-D596 PolarHBondContact NH2-OD2 2.8Å; K515-D596 IonicContact NZ-OD1 2.7Å; I591-D596 HydrophobicContact CG2-CB 4.32Å; I591-D596 WeakPolarHBondContact CG2-OD1 3.25Å; D592-D596 PolarHBondContact O-N 3.39Å; D593-D596 WeakPolarHBondContact O-CB 3.3Å; D596-T599 PolarHBondContact O-N 3.47Å; D596-D600 PolarHBondContact O-N 3.47Å; D596-D600 VanDerWaalsContact O-N 3.08Å
597Q86.3Confident88.6Confident166 Ų16672.6 Ų72.678%0.77637%0.372SS*.Hα-helixtrans-68.5-35.7177.6-66.1-178.3900112.7D595 T599 A601D595-Q597 PolarHBondContact O-N 2.97Å; Q597-T599 VanDerWaalsContact C-N 3.35Å; Q597-A601 VanDerWaalsContact O-CB 3.31Å; Q597-A601 WeakPolarHBondContact O-CB 3.31Å; Q597-A601 PolarHBondContact O-N 3.12Å
598R88.8Confident88.5Confident185 Ų18569.3 Ų69.370%0.69835%0.352SS*.Hα-helixtrans-68.6-39.6179.3-171.1-179.1-176.4-177.60.3110.8D595 A601 M602D595-R598 WeakPolarHBondContact O-CB 3.45Å; D595-R598 PolarHBondContact O-N 2.97Å; D595-R598 WeakPolarHBondContact OD1-CD 3.41Å; D595-R598 IonicContact OD1-NH1 2.63Å; R598-A601 PolarHBondContact O-N 3.06Å; R598-M602 WeakPolarHBondContact O-CB 3.41Å; R598-M602 PolarHBondContact O-N 3.24Å
599T89.7Confident88.2Confident39 Ų3973.1 Ų73.124%0.23937%0.367CS..Hα-helixtrans-62.7-49.6175.6-58.60000110.4V507 D595 D596 Q597 A601 M602 M603V507-T599 HydrophobicContact CG1-CG2 4.32Å; D595-T599 WeakPolarHBondContact O-CB 3.12Å; D595-T599 PolarHBondContact O-N 3.23Å; D595-T599 PolarHBondContact O-OG1 2.9Å; D596-T599 PolarHBondContact O-N 3.47Å; Q597-T599 VanDerWaalsContact C-N 3.35Å; T599-A601 VanDerWaalsContact C-N 3.34Å; T599-A601 PolarHBondContact O-N 3Å; T599-M602 PolarHBondContact O-N 3.35Å; T599-M603 WeakPolarHBondContact O-CG 3.44Å; T599-M603 PolarHBondContact O-N 3.46Å
600D90.5Very high88Confident38 Ų3881 Ų8120%0.20340%0.4CS..Hα-helixtrans-61-42.3176.9-76.6-17.9000111.6W448 R511 D596 M602 M603 D604W448-D600 HydrophobicContact CZ2-CB 4.47Å; W448-D600 WeakPolarHBondContact CZ2-O 3.16Å; R511-D600 IonicContact CZ-OD1 2.59Å; R511-D600 IonicContact CZ-OD2 3.22Å; R511-D600 IonicContact NH1-OD1 3.74Å; R511-D600 IonicContact NH1-OD2 2.81Å; R511-D600 PolarHBondContact NH1-OD2 3.1Å; R511-D600 VanDerWaalsContact NH1-OD2 3.1Å; R511-D600 IonicContact NH2-OD1 2.7Å; R511-D600 PolarHBondContact NH2-OD1 2.99Å; R511-D600 IonicContact NH2-OD2 3.06Å; R511-D600 PolarHBondContact NH2-OD2 3.41Å; D596-D600 PolarHBondContact O-N 3.47Å; D596-D600 VanDerWaalsContact O-N 3.08Å; D600-M602 PolarHBondContact O-N 2.93Å; D600-M603 PolarHBondContact O-N 2.99Å; D600-D604 WeakPolarHBondContact O-CB 3.23Å; D600-D604 PolarHBondContact O-N 2.73Å
601A91Very high87.9Confident53 Ų5380 Ų8044%0.43839%0.386SS..Hα-helixtrans-64.3-36.917800000113.4Q597 R598 T599 M605 R611Q597-A601 VanDerWaalsContact O-CB 3.31Å; Q597-A601 WeakPolarHBondContact O-CB 3.31Å; Q597-A601 PolarHBondContact O-N 3.12Å; R598-A601 PolarHBondContact O-N 3.06Å; T599-A601 VanDerWaalsContact C-N 3.34Å; T599-A601 PolarHBondContact O-N 3Å; A601-M605 PolarHBondContact O-N 3.37Å; A601-M605 VanDerWaalsContact O-N 3.11Å; A601-R611 PolarHBondContact O-NH1 3.19Å; A601-R611 VanDerWaalsContact O-NH1 3.16Å
602M91.4Very high88Confident89 Ų8982.7 Ų82.744%0.43841%0.407SS..Hα-helixtrans-69.4-51.2176.3179.263.878.900111.1R598 T599 D600 D604 M605 L606R598-M602 WeakPolarHBondContact O-CB 3.41Å; R598-M602 PolarHBondContact O-N 3.24Å; T599-M602 PolarHBondContact O-N 3.35Å; D600-M602 PolarHBondContact O-N 2.93Å; M602-D604 VanDerWaalsContact C-N 3.26Å; M602-D604 PolarHBondContact O-N 2.82Å; M602-M605 WeakPolarHBondContact O-CB 3.49Å; M602-M605 PolarHBondContact O-N 3.07Å; M602-M605 HydrophobicContact SD-CE 3.62Å; M602-L606 HydrophobicContact CG-CD1 4.06Å; M602-L606 WeakPolarHBondContact O-CG 3.49Å; M602-L606 PolarHBondContact O-N 2.87Å; M602-L606 HydrophobicContact SD-CD1 4.21Å; M602-L606 HydrophobicContact SD-CG 4.32Å
603M91.8Very high88.5Confident27 Ų2784.5 Ų84.513%0.13341%0.412CS..Hα-helixtrans-59.9-39.2178.1-73.3-64.5-145.800111.6W448 C503 V507 T599 D600 L606 L607W448-M603 HydrophobicContact CD2-CB 4.15Å; W448-M603 HydrophobicContact CE3-CB 3.97Å; W448-M603 HydrophobicContact CH2-CB 3.23Å; W448-M603 HydrophobicContact CH2-CG 3.89Å; W448-M603 HydrophobicContact CZ2-CB 3.41Å; W448-M603 VanDerWaalsContact CZ2-CB 3.41Å; W448-M603 HydrophobicContact CZ3-CB 3.52Å; W448-M603 HydrophobicContact CZ3-CG 3.96Å; C503-M603 HydrophobicContact CB-CE 4.18Å; V507-M603 HydrophobicContact CB-CE 4.33Å; V507-M603 HydrophobicContact CG2-CE 3.94Å; T599-M603 WeakPolarHBondContact O-CG 3.44Å; T599-M603 PolarHBondContact O-N 3.46Å; D600-M603 PolarHBondContact O-N 2.99Å; M603-L606 PolarHBondContact O-N 2.89Å; M603-L607 VanDerWaalsContact O-CB 3.3Å; M603-L607 WeakPolarHBondContact O-CB 3.19Å; M603-L607 PolarHBondContact O-N 2.84Å; M603-L607 HydrophobicContact SD-CD1 4.34Å
604D92.8Very high89.1Confident54 Ų5481.6 Ų81.629%0.28940%0.396SS..Hα-helixtrans-63.3-42.7175.4-174.970000112.8W448 D600 M602 L606 L607 A608 R611W448-D604 HydrophobicContact CZ2-CB 4.35Å; W448-D604 PolarHBondContact NE1-OD1 2.87Å; D600-D604 WeakPolarHBondContact O-CB 3.23Å; D600-D604 PolarHBondContact O-N 2.73Å; M602-D604 VanDerWaalsContact C-N 3.26Å; M602-D604 PolarHBondContact O-N 2.82Å; D604-L606 VanDerWaalsContact C-N 3.31Å; D604-L606 PolarHBondContact O-N 3.07Å; D604-L607 PolarHBondContact O-N 3.06Å; D604-A608 WeakPolarHBondContact O-CB 3.44Å; D604-A608 PolarHBondContact O-N 2.83Å; D604-R611 WeakPolarHBondContact OD2-CD 3.49Å; D604-R611 IonicContact OD2-CZ 3.12Å; D604-R611 IonicContact OD2-NE 3.03Å; D604-R611 IonicContact OD2-NH1 3.96Å; D604-R611 PolarHBondContact OD2-NH1 3.02Å
605M92.8Very high89.8Confident16 Ų1675.5 Ų75.58%0.07937%0.365CS..Hα-helixtrans-60.2-44.4173.1-177.1-82.4-68.500110.9A601 M602 R611 D614 R615 W618A601-M605 PolarHBondContact O-N 3.37Å; A601-M605 VanDerWaalsContact O-N 3.11Å; M602-M605 WeakPolarHBondContact O-CB 3.49Å; M602-M605 PolarHBondContact O-N 3.07Å; M602-M605 HydrophobicContact SD-CE 3.62Å; M605-R611 VanDerWaalsContact N-NH1 3.17Å; M605-D614 HydrophobicContact CG-CB 3.93Å; M605-R615 HydrophobicContact SD-CB 4.14Å; M605-W618 HydrophobicContact CE-CB 3.89Å; M605-W618 HydrophobicContact CE-CD2 3.63Å; M605-W618 HydrophobicContact CE-CE3 4.28Å; M605-W618 HydrophobicContact CE-CG 3.4Å; M605-W618 VanDerWaalsContact CE-CG 3.4Å; M605-W618 HydrophobicContact SD-CB 3.81Å; M605-W618 HydrophobicContact SD-CD2 4.39Å; M605-W618 HydrophobicContact SD-CG 4Å
606L92.4Very high90.3Very high42 Ų4279.9 Ų79.922%0.2238%0.377CS..Hα-helixtrans-73.8-26.2-175.8-68.8176000114.1M602 M603 D604 R615 W618M602-L606 HydrophobicContact CG-CD1 4.06Å; M602-L606 WeakPolarHBondContact O-CG 3.49Å; M602-L606 PolarHBondContact O-N 2.87Å; M602-L606 HydrophobicContact SD-CD1 4.21Å; M602-L606 HydrophobicContact SD-CG 4.32Å; M603-L606 PolarHBondContact O-N 2.89Å; D604-L606 VanDerWaalsContact C-N 3.31Å; D604-L606 PolarHBondContact O-N 3.07Å; L606-R615 VanDerWaalsContact O-CD 3.26Å; L606-R615 WeakPolarHBondContact O-CD 3.24Å; L606-R615 PolarHBondContact O-NH1 2.71Å; L606-W618 HydrophobicContact CD2-CD2 4.38Å; L606-W618 HydrophobicContact CD2-CE3 3.91Å; L606-W618 HydrophobicContact CD2-CH2 4.11Å; L606-W618 HydrophobicContact CD2-CZ3 3.77Å
607L92.7Very high90.8Very high11 Ų1181.5 Ų81.56%0.05839%0.385CS..Hα-helixtrans-123.4-28.7-167-63.5171.9000114.5N446 W448 T500 L501 A504 M603 D604N446-L607 PolarHBondContact ND2-O 2.79Å; W448-L607 HydrophobicContact CB-CB 3.84Å; W448-L607 HydrophobicContact CB-CD1 4.22Å; W448-L607 HydrophobicContact CD2-CD1 4.42Å; W448-L607 HydrophobicContact CE3-CD1 4.31Å; W448-L607 HydrophobicContact CG-CB 4.03Å; W448-L607 HydrophobicContact CG-CD1 4.39Å; T500-L607 HydrophobicContact CG2-CD2 4.4Å; L501-L607 HydrophobicContact CD2-CD2 4.46Å; A504-L607 HydrophobicContact CB-CD1 3.22Å; M603-L607 VanDerWaalsContact O-CB 3.3Å; M603-L607 WeakPolarHBondContact O-CB 3.19Å; M603-L607 PolarHBondContact O-N 2.84Å; M603-L607 HydrophobicContact SD-CD1 4.34Å; D604-L607 PolarHBondContact O-N 3.06Å
608A91.2Very high91Very high2 Ų277.6 Ų77.62%0.01736%0.364CS..  trans-66.1137.1-17700000111.9E449 D604 K610 R611 R615E449-A608 HydrophobicContact CG-CB 4.16Å; D604-A608 WeakPolarHBondContact O-CB 3.44Å; D604-A608 PolarHBondContact O-N 2.83Å; A608-K610 VanDerWaalsContact C-N 3.31Å; A608-K610 PolarHBondContact O-N 3.2Å; A608-R611 HydrophobicContact CB-CB 4.34Å; A608-R611 HydrophobicContact CB-CG 4.23Å; A608-R611 PolarHBondContact O-N 3.29Å; A608-R615 PolarHBondContact O-NH2 2.83Å
609K89.3Confident90.9Very high168 Ų16873.6 Ų73.673%0.7336%0.355SS*.G310 helixtrans-65.6-36.5179.2-173.2177.1-178.9179.10111.6E449 R611E449-K609 VanDerWaalsContact CD-N 3.26Å; E449-K609 PolarHBondContact OE1-N 3.43Å; E449-K609 WeakPolarHBondContact OE2-CB 3.49Å; E449-K609 PolarHBondContact OE2-N 2.79Å; K609-R611 PolarHBondContact O-N 2.89Å
610K88.8Confident90.9Very high190 Ų19077.5 Ų77.583%0.82637%0.371SS*.G310 helixtrans-70.6-17.3-179.6-65.9-178.5-176172.40113.8A608A608-K610 VanDerWaalsContact C-N 3.31Å; A608-K610 PolarHBondContact O-N 3.2Å
611R89.9Confident90.7Very high66 Ų6682.6 Ų82.625%0.24939%0.394CS..G310 helixtrans-103.525.7-178.7-59.7-170.869-166.1-4.8112.8A601 D604 M605 A608 K609 E613 D614 R615A601-R611 PolarHBondContact O-NH1 3.19Å; A601-R611 VanDerWaalsContact O-NH1 3.16Å; D604-R611 WeakPolarHBondContact OD2-CD 3.49Å; D604-R611 IonicContact OD2-CZ 3.12Å; D604-R611 IonicContact OD2-NE 3.03Å; D604-R611 IonicContact OD2-NH1 3.96Å; D604-R611 PolarHBondContact OD2-NH1 3.02Å; M605-R611 VanDerWaalsContact N-NH1 3.17Å; A608-R611 HydrophobicContact CB-CB 4.34Å; A608-R611 HydrophobicContact CB-CG 4.23Å; A608-R611 PolarHBondContact O-N 3.29Å; K609-R611 PolarHBondContact O-N 2.89Å; R611-E613 PolarHBondContact O-N 3.35Å; R611-D614 HydrophobicContact CB-CB 4.3Å; R611-D614 IonicContact CZ-OD2 3.12Å; R611-D614 IonicContact NE-OD2 3.57Å; R611-D614 PolarHBondContact NE-OD2 2.78Å; R611-D614 IonicContact NH2-OD2 3.61Å; R611-D614 PolarHBondContact NH2-OD2 2.82Å; R611-D614 PolarHBondContact O-N 3.41Å; R611-R615 PolarHBondContact O-N 2.65Å
612S89.2Confident90.4Very high73 Ų7384.2 Ų84.251%0.5139%0.391SS..Hα-helixtrans-57.8-31.917758.20000113.3R616S612-R616 WeakPolarHBondContact O-CB 3.34Å; S612-R616 PolarHBondContact O-N 3.32Å; S612-R616 VanDerWaalsContact O-N 3.09Å
613E91.5Very high89.6Confident140 Ų14081.9 Ų81.965%0.65439%0.389SS*.Hα-helixtrans-70.8-48.7176.5-169.5168.5-171.400111.6R611 R615 R616 N617R611-E613 PolarHBondContact O-N 3.35Å; E613-R615 VanDerWaalsContact C-N 3.34Å; E613-R615 PolarHBondContact O-N 2.77Å; E613-R616 WeakPolarHBondContact O-CB 3.43Å; E613-R616 PolarHBondContact O-N 2.86Å; E613-R616 VanDerWaalsContact O-N 3.1Å; E613-N617 PolarHBondContact O-N 2.86Å
614D91.6Very high88.8Confident66 Ų6686.9 Ų86.935%0.35342%0.417SS..Hα-helixtrans-56.5-46.9175.2-61.4-9.6000111.9M605 R611 R616 N617 W618M605-D614 HydrophobicContact CG-CB 3.93Å; R611-D614 HydrophobicContact CB-CB 4.3Å; R611-D614 IonicContact CZ-OD2 3.12Å; R611-D614 IonicContact NE-OD2 3.57Å; R611-D614 PolarHBondContact NE-OD2 2.78Å; R611-D614 IonicContact NH2-OD2 3.61Å; R611-D614 PolarHBondContact NH2-OD2 2.82Å; R611-D614 PolarHBondContact O-N 3.41Å; D614-R616 VanDerWaalsContact C-N 3.31Å; D614-R616 PolarHBondContact O-N 2.95Å; D614-N617 PolarHBondContact O-N 3.4Å; D614-W618 WeakPolarHBondContact O-CB 3.5Å; D614-W618 PolarHBondContact O-N 3.42Å
615R91.7Very high87.9Confident62 Ų6290.4 Ų90.423%0.23443%0.433CS..Hα-helixtrans-59.8-40.8176.1176.9167.942-147.6-21.6112.4M605 L606 A608 R611 E613 L619M605-R615 HydrophobicContact SD-CB 4.14Å; L606-R615 VanDerWaalsContact O-CD 3.26Å; L606-R615 WeakPolarHBondContact O-CD 3.24Å; L606-R615 PolarHBondContact O-NH1 2.71Å; A608-R615 PolarHBondContact O-NH2 2.83Å; R611-R615 PolarHBondContact O-N 2.65Å; E613-R615 VanDerWaalsContact C-N 3.34Å; E613-R615 PolarHBondContact O-N 2.77Å; R615-L619 HydrophobicContact CG-CD1 4.18Å; R615-L619 WeakPolarHBondContact O-CB 3.44Å; R615-L619 VanDerWaalsContact O-CG 3.27Å; R615-L619 WeakPolarHBondContact O-CG 3.2Å; R615-L619 PolarHBondContact O-N 2.74Å
616R91.2Very high86.4Confident158 Ų15892.6 Ų92.660%0.59645%0.454SS*.Hα-helixtrans-65-44.7176.1175.5-179.5163.1172.1-4.2110.8S612 E613 D614 W618 L619 Q620S612-R616 WeakPolarHBondContact O-CB 3.34Å; S612-R616 PolarHBondContact O-N 3.32Å; S612-R616 VanDerWaalsContact O-N 3.09Å; E613-R616 WeakPolarHBondContact O-CB 3.43Å; E613-R616 PolarHBondContact O-N 2.86Å; E613-R616 VanDerWaalsContact O-N 3.1Å; D614-R616 VanDerWaalsContact C-N 3.31Å; D614-R616 PolarHBondContact O-N 2.95Å; R616-W618 VanDerWaalsContact C-N 3.35Å; R616-L619 PolarHBondContact O-N 3.24Å; R616-Q620 VanDerWaalsContact O-CG 3.31Å; R616-Q620 WeakPolarHBondContact O-CG 3.33Å; R616-Q620 PolarHBondContact O-N 3.46Å
617N91.4Very high84.8Confident66 Ų6699.4 Ų99.435%0.35348%0.484SS..Hα-helixtrans-62.6-44.6178-66.2-18.9000110.6E613 D614 L619 Q620 E621E613-N617 PolarHBondContact O-N 2.86Å; D614-N617 PolarHBondContact O-N 3.4Å; N617-L619 PolarHBondContact O-N 3.11Å; N617-Q620 WeakPolarHBondContact O-CB 3.28Å; N617-Q620 PolarHBondContact O-N 3.02Å; N617-Q620 VanDerWaalsContact O-N 3.09Å; N617-E621 WeakPolarHBondContact O-CG 3.45Å; N617-E621 PolarHBondContact O-N 2.92Å
618W90.4Very high82.9Confident85 Ų85105.8 Ų105.832%0.32252%0.517SS..Hα-helixtrans-59.4-45.2175.4-177.683.5000112.4M605 L606 D614 R616 Q620 E621 K622M605-W618 HydrophobicContact CE-CB 3.89Å; M605-W618 HydrophobicContact CE-CD2 3.63Å; M605-W618 HydrophobicContact CE-CE3 4.28Å; M605-W618 HydrophobicContact CE-CG 3.4Å; M605-W618 VanDerWaalsContact CE-CG 3.4Å; M605-W618 HydrophobicContact SD-CB 3.81Å; M605-W618 HydrophobicContact SD-CD2 4.39Å; M605-W618 HydrophobicContact SD-CG 4Å; L606-W618 HydrophobicContact CD2-CD2 4.38Å; L606-W618 HydrophobicContact CD2-CE3 3.91Å; L606-W618 HydrophobicContact CD2-CH2 4.11Å; L606-W618 HydrophobicContact CD2-CZ3 3.77Å; D614-W618 WeakPolarHBondContact O-CB 3.5Å; D614-W618 PolarHBondContact O-N 3.42Å; R616-W618 VanDerWaalsContact C-N 3.35Å; W618-Q620 VanDerWaalsContact C-N 3.29Å; W618-Q620 PolarHBondContact O-N 3.44Å; W618-E621 PolarHBondContact O-N 2.83Å; W618-K622 HydrophobicContact CD2-CG 4.34Å; W618-K622 HydrophobicContact CZ2-CG 4.35Å; W618-K622 VanDerWaalsContact O-CB 3.31Å; W618-K622 WeakPolarHBondContact O-CB 3.43Å; W618-K622 WeakPolarHBondContact O-CG 3.49Å; W618-K622 PolarHBondContact O-N 2.86Å
619L88.5Confident80.9Confident100 Ų100112.2 Ų112.252%0.52455%0.547SS..Hα-helixtrans-63.8-32.1174.5-73.9170.4000112.7R615 R616 N617 G623R615-L619 HydrophobicContact CG-CD1 4.18Å; R615-L619 WeakPolarHBondContact O-CB 3.44Å; R615-L619 VanDerWaalsContact O-CG 3.27Å; R615-L619 WeakPolarHBondContact O-CG 3.2Å; R615-L619 PolarHBondContact O-N 2.74Å; R616-L619 PolarHBondContact O-N 3.24Å; N617-L619 PolarHBondContact O-N 3.11Å; L619-G623 WeakPolarHBondContact O-CA 3.5Å; L619-G623 PolarHBondContact O-N 2.97Å
620Q88.8Confident78.2Confident121 Ų121114 Ų11457%0.56557%0.571SS**Hα-helixtrans-73.4-40.6175.7-74.7-179.9-26.400112R616 N617 W618 K622R616-Q620 VanDerWaalsContact O-CG 3.31Å; R616-Q620 WeakPolarHBondContact O-CG 3.33Å; R616-Q620 PolarHBondContact O-N 3.46Å; N617-Q620 WeakPolarHBondContact O-CB 3.28Å; N617-Q620 PolarHBondContact O-N 3.02Å; N617-Q620 VanDerWaalsContact O-N 3.09Å; W618-Q620 VanDerWaalsContact C-N 3.29Å; W618-Q620 PolarHBondContact O-N 3.44Å; Q620-K622 VanDerWaalsContact C-N 3.34Å
621E87.2Confident77.7Confident145 Ų145110.2 Ų110.268%0.67856%0.558SS**Hα-helixtrans-69.6-30.7177-74.3180179.200113N617 W618N617-E621 WeakPolarHBondContact O-CG 3.45Å; N617-E621 PolarHBondContact O-N 2.92Å; W618-E621 PolarHBondContact O-N 2.83Å
622K84Confident77.1Confident88 Ų88112.5 Ų112.538%0.38358%0.575SS.*SBendtrans-103.82.3-178.8-61.1-65.7-178.2-178.80113.5W618 Q620 D624 M625W618-K622 HydrophobicContact CD2-CG 4.34Å; W618-K622 HydrophobicContact CZ2-CG 4.35Å; W618-K622 VanDerWaalsContact O-CB 3.31Å; W618-K622 WeakPolarHBondContact O-CB 3.43Å; W618-K622 WeakPolarHBondContact O-CG 3.49Å; W618-K622 PolarHBondContact O-N 2.86Å; Q620-K622 VanDerWaalsContact C-N 3.34Å; K622-D624 PolarHBondContact O-N 3.33Å; K622-M625 HydrophobicContact CD-CE 3.84Å; K622-M625 HydrophobicContact CD-SD 3.67Å; K622-M625 WeakPolarHBondContact O-CB 3.33Å; K622-M625 PolarHBondContact O-N 3.05Å
623G73.7Confident76.4Confident39 Ų39114.7 Ų114.740%0.40258%0.578SS.*G310 helixtrans-65.9-23.8-173.600000113.4L619 M625 A626L619-G623 WeakPolarHBondContact O-CA 3.5Å; L619-G623 PolarHBondContact O-N 2.97Å; G623-M625 PolarHBondContact O-N 3.08Å; G623-A626 PolarHBondContact O-N 2.91Å
624D75.1Confident75.5Confident133 Ų133113.2 Ų113.271%0.71157%0.574SS**G310 helixtrans-71.3-18173.565.9-32.3000113.4K622 A626K622-D624 PolarHBondContact O-N 3.33Å; D624-A626 VanDerWaalsContact C-N 3.34Å
625M73.8Confident74.5Confident128 Ų128116.2 Ų116.263%0.63159%0.588SS**G310 helixtrans-83.6-10.5174.2-55.6-174.3176.500112.8K622 G623 E627K622-M625 HydrophobicContact CD-CE 3.84Å; K622-M625 HydrophobicContact CD-SD 3.67Å; K622-M625 WeakPolarHBondContact O-CB 3.33Å; K622-M625 PolarHBondContact O-N 3.05Å; G623-M625 PolarHBondContact O-N 3.08Å; M625-E627 PolarHBondContact O-N 2.98Å
626A62.5Low73.3Confident62 Ų62119.8 Ų119.851%0.51261%0.611SS.*SBendtrans-80.8113.9176.900000109.9G623 D624 I628G623-A626 PolarHBondContact O-N 2.91Å; D624-A626 VanDerWaalsContact C-N 3.34Å; A626-I628 PolarHBondContact O-N 3.31Å; A626-I628 VanDerWaalsContact O-N 3.12Å
627E57.5Low72.1Confident185 Ų185117.1 Ų117.186%0.86461%0.612SS**  trans-69.5107.8167.5-68.1-170.7163.200109M625 E629M625-E627 PolarHBondContact O-N 2.98Å; E627-E629 PolarHBondContact O-N 3.1Å
628I53.9Low70.6Confident144 Ų144121 Ų12174%0.73863%0.632SS**  trans-79.9112.6172.5-56174.7000107A626 V630A626-I628 PolarHBondContact O-N 3.31Å; A626-I628 VanDerWaalsContact O-N 3.12Å; I628-V630 PolarHBondContact O-N 3.35Å
629E49.1Very low68.9Low137 Ų137124 Ų12464%0.6466%0.658SS**  trans-65.1119.3166.5-70-171.5179.400109.9R562 E627R562-E629 IonicContact CZ-OE1 2.66Å; R562-E629 IonicContact NH1-OE1 3.64Å; R562-E629 PolarHBondContact NH1-OE1 2.95Å; R562-E629 IonicContact NH1-OE2 3.54Å; R562-E629 PolarHBondContact NH1-OE2 3.44Å; R562-E629 IonicContact NH2-OE1 3.05Å; R562-E629 PolarHBondContact NH2-OE1 3.22Å; E627-E629 PolarHBondContact O-N 3.1Å
630V33.1Very low67.1Low206 Ų206126.2 Ų126.2100%1.24867%0.67SS**  trans-96.20169.7-178.90000109.9I628I628-V630 PolarHBondContact O-N 3.35Å

Retrieved 630 of 630 residues in 117.6 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).