A0A077Z7I8_TRITR Loading...

28S ribosomal protein S34, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z7I8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 206 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
1M58.4Low65.7Low231 Ų231137.9 Ų137.9100%1.13872%0.717SS**  0119.60-70.6-160.5-102.100108
2P61.6Low65.9Low132 Ų132129.6 Ų129.686%0.85767%0.674SS**  trans-72128.2172.828.1-29.9000109.6K4P2-K4 PolarHBondContact O-N 3.48Å
3I70.8Confident66.5Low146 Ų146123.8 Ų123.875%0.74966%0.656SS**  trans-76.8117174.5-61.5166.7000106.9F5I3-F5 HydrophobicContact CG2-CE2 4.26Å; I3-F5 HydrophobicContact CG2-CZ 4.48Å
4K68.6Low67.4Low181 Ų181123.5 Ų123.579%0.78765%0.65SS**  trans-95.1113.2173.7-174.1177.7-179.8-179.60108.2P2P2-K4 PolarHBondContact O-N 3.48Å
5F59.6Low68.7Low147 Ų147116.5 Ų116.565%0.64562%0.619SS**  trans-70.6129.5170.2-72.8-87.3000109.1I3 Y9I3-F5 HydrophobicContact CG2-CE2 4.26Å; I3-F5 HydrophobicContact CG2-CZ 4.48Å; F5-Y9 HydrophobicContact CD1-CD2 4.35Å; F5-Y9 HydrophobicContact CE1-CD2 4.44Å; F5-Y9 HydrophobicContact CE1-CE2 4.43Å
6I69.3Low70Confident163 Ų163115.2 Ų115.284%0.83661%0.606SS**  trans-107.8121.1174.7-61.4172.1000106.5
7G66.6Low71.3Confident63 Ų63111.8 Ų111.865%0.64958%0.584SS**SBendtrans108.1172.8-176.300000113.2Y9G7-Y9 PolarHBondContact O-N 3.48Å
8N66.2Low72.4Confident167 Ų167105.6 Ų105.689%0.89355%0.552SS**  trans-66.4122.3171.9-69.7-14.5000107.9D10N8-D10 PolarHBondContact O-N 2.85Å
9Y63.7Low73.4Confident131 Ų131100.1 Ų100.151%0.51452%0.523SS..  trans-61.6113.1174.8179.5-109.1000108.7F5 G7 I11 E14F5-Y9 HydrophobicContact CD1-CD2 4.35Å; F5-Y9 HydrophobicContact CE1-CD2 4.44Å; F5-Y9 HydrophobicContact CE1-CE2 4.43Å; G7-Y9 PolarHBondContact O-N 3.48Å; Y9-I11 HydrophobicContact CD1-CB 4.34Å; Y9-I11 HydrophobicContact CD1-CG1 3.44Å; Y9-I11 VanDerWaalsContact CD1-CG1 3.44Å; Y9-I11 HydrophobicContact CE1-CB 4.2Å; Y9-I11 HydrophobicContact CE1-CG1 3.69Å; Y9-I11 HydrophobicContact CE1-CG2 4.36Å; Y9-I11 PolarHBondContact O-N 3.04Å; Y9-I11 VanDerWaalsContact O-N 3.1Å; Y9-E14 PolarHBondContact OH-OE1 3.08Å
10D68.9Low74.3Confident95 Ų9598.4 Ų98.451%0.50851%0.512SS..  trans-8190.4177.3-168.63.8000109.4N8 L12 A13N8-D10 PolarHBondContact O-N 2.85Å; D10-L12 PolarHBondContact O-N 2.63Å; D10-L12 VanDerWaalsContact O-N 3.1Å; D10-L12 VanDerWaalsContact OD1-CB 3.22Å; D10-L12 WeakPolarHBondContact OD1-CB 3.39Å; D10-L12 PolarHBondContact OD1-N 2.92Å; D10-L12 VanDerWaalsContact OD1-N 3.08Å; D10-A13 HydrophobicContact CB-CB 4.14Å; D10-A13 PolarHBondContact O-N 3.06Å
11I68.9Low75.2Confident61 Ų6194.3 Ų94.331%0.31349%0.491SS..G310 helixtrans-62.4-15.8177.5-45.3161.1000110.3Y9 A13 R41Y9-I11 HydrophobicContact CD1-CB 4.34Å; Y9-I11 HydrophobicContact CD1-CG1 3.44Å; Y9-I11 VanDerWaalsContact CD1-CG1 3.44Å; Y9-I11 HydrophobicContact CE1-CB 4.2Å; Y9-I11 HydrophobicContact CE1-CG1 3.69Å; Y9-I11 HydrophobicContact CE1-CG2 4.36Å; Y9-I11 PolarHBondContact O-N 3.04Å; Y9-I11 VanDerWaalsContact O-N 3.1Å; I11-A13 VanDerWaalsContact C-N 3.33Å; I11-R41 PolarHBondContact O-NH1 3.04Å
12L68.9Low76.9Confident38 Ų3883.3 Ų83.320%0.19944%0.437CS..G310 helixtrans-82.8-10.4178.2-50.8172.8000112.8D10 E14 I38 D92D10-L12 PolarHBondContact O-N 2.63Å; D10-L12 VanDerWaalsContact O-N 3.1Å; D10-L12 VanDerWaalsContact OD1-CB 3.22Å; D10-L12 WeakPolarHBondContact OD1-CB 3.39Å; D10-L12 PolarHBondContact OD1-N 2.92Å; D10-L12 VanDerWaalsContact OD1-N 3.08Å; L12-E14 VanDerWaalsContact C-N 3.34Å; L12-I38 HydrophobicContact CD1-CD1 4.07Å; L12-I38 HydrophobicContact CD2-CB 4.41Å; L12-I38 HydrophobicContact CD2-CD1 3.58Å; L12-I38 HydrophobicContact CD2-CG1 3.65Å; L12-I38 HydrophobicContact CD2-CG2 4.49Å; L12-I38 HydrophobicContact CG-CD1 4.37Å; L12-D92 VanDerWaalsContact O-CB 3.29Å; L12-D92 WeakPolarHBondContact O-CB 3.49Å
13A72.9Confident78.3Confident54 Ų5479.1 Ų79.145%0.44641%0.413SS..G310 helixtrans-95.422.2-176.800000113.4D10 I11 G15 C91D10-A13 HydrophobicContact CB-CB 4.14Å; D10-A13 PolarHBondContact O-N 3.06Å; I11-A13 VanDerWaalsContact C-N 3.33Å; A13-G15 VanDerWaalsContact C-N 3.27Å; A13-G15 PolarHBondContact O-N 3.06Å; A13-C91 CarbonylContact C-O 3.56Å
14E79.9Confident79.4Confident120 Ų12078.7 Ų78.756%0.56141%0.408SS*.SBendtrans-79.1-7.7179.3-67.5-176170.900113.5Y9 L12Y9-E14 PolarHBondContact OH-OE1 3.08Å; L12-E14 VanDerWaalsContact C-N 3.34Å
15G86Confident80.6Confident19 Ų1972.1 Ų72.120%0.19638%0.381CS..SBendtrans-97.7-167.8-178.300000114.5A13 C91 H94A13-G15 VanDerWaalsContact C-N 3.27Å; A13-G15 PolarHBondContact O-N 3.06Å; G15-C91 CarbonylContact C-O 3.46Å; G15-C91 VanDerWaalsContact C-O 3.32Å; G15-C91 VanDerWaalsContact CA-O 3.23Å; G15-C91 WeakPolarHBondContact CA-O 3.36Å; G15-C91 PolarHBondContact N-O 3.4Å; G15-H94 VanDerWaalsContact CA-CE1 3.49Å; G15-H94 WeakPolarHBondContact CA-CE1 3.45Å
16K90.2Very high82.2Confident95 Ų9575.3 Ų75.341%0.41339%0.389SS..BIsolated β-bridgetrans-108.7167.8170.9-63.2-174.9175.2-1620110.8E20 I21 W93K16-E20 IonicContact NZ-OE1 2.68Å; K16-I21 HydrophobicContact CB-CD1 4.02Å; K16-I21 HydrophobicContact CB-CG1 3.88Å; K16-I21 HydrophobicContact CD-CG1 4.16Å; K16-W93 PolarHBondContact N-O 2.87Å; K16-W93 VanDerWaalsContact N-O 3.07Å; K16-W93 WeakPolarHBondContact O-CB 3.1Å; K16-W93 PolarHBondContact O-N 3.07Å
17Y91Very high83.4Confident57 Ų5772.7 Ų72.722%0.22438%0.377CS..  trans-64.3143.9164.6-70.4-77.1000110.2F19 E20 I21 M64 D89 C91Y17-F19 PolarHBondContact O-N 3.32Å; Y17-E20 WeakPolarHBondContact O-CB 3.49Å; Y17-E20 PolarHBondContact O-N 3.12Å; Y17-I21 PolarHBondContact O-N 3.49Å; Y17-M64 HydrophobicContact CD1-CB 4.48Å; Y17-M64 HydrophobicContact CD1-CG 4.02Å; Y17-M64 HydrophobicContact CE1-CB 4.49Å; Y17-M64 HydrophobicContact CE1-CE 4.15Å; Y17-M64 HydrophobicContact CE1-CG 3.81Å; Y17-M64 HydrophobicContact CE1-SD 4.03Å; Y17-M64 HydrophobicContact CE2-CE 3.74Å; Y17-M64 HydrophobicContact CE2-CG 4.4Å; Y17-M64 HydrophobicContact CG-CG 4.4Å; Y17-M64 VanDerWaalsContact CZ-CE 3.44Å; Y17-M64 VanDerWaalsContact OH-CE 3.24Å; Y17-M64 WeakPolarHBondContact OH-CE 3.35Å; Y17-D89 WeakPolarHBondContact CE1-O 3.11Å; Y17-C91 WeakPolarHBondContact CE1-SG 3.48Å; Y17-C91 WeakPolarHBondContact CE2-SG 3.29Å; Y17-C91 PolarHBondContact OH-SG 2.92Å; Y17-C91 VanDerWaalsContact OH-SG 3.38Å
18L91.7Very high84.7Confident1 Ų174 Ų741%0.00537%0.365CS..Hα-helixtrans-59.2-48.8-178-179.866.7000111.6E20 I21 L22 V34 M68 L88 W93L18-E20 VanDerWaalsContact C-N 3.3Å; L18-E20 PolarHBondContact O-N 3.41Å; L18-I21 WeakPolarHBondContact O-CB 3.35Å; L18-I21 PolarHBondContact O-N 2.65Å; L18-I21 VanDerWaalsContact O-N 3.13Å; L18-L22 HydrophobicContact CD1-CD1 3.96Å; L18-L22 HydrophobicContact CD1-CG 4.16Å; L18-L22 HydrophobicContact CD2-CD1 4.09Å; L18-L22 HydrophobicContact CG-CD1 3.69Å; L18-L22 HydrophobicContact CG-CG 4.21Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 2.83Å; L18-V34 HydrophobicContact CD1-CB 4.36Å; L18-V34 HydrophobicContact CD1-CG1 3.77Å; L18-V34 HydrophobicContact CD1-CG2 4.32Å; L18-M68 HydrophobicContact CD1-SD 4.4Å; L18-M68 HydrophobicContact CD2-CB 4.41Å; L18-M68 HydrophobicContact CD2-CE 3.51Å; L18-M68 HydrophobicContact CD2-SD 3.7Å; L18-M68 HydrophobicContact CG-SD 4.5Å; L18-L88 HydrophobicContact CD2-CD1 4.1Å; L18-L88 HydrophobicContact CD2-CD2 3.27Å; L18-L88 HydrophobicContact CD2-CG 4.19Å; L18-W93 HydrophobicContact CB-CB 4.32Å; L18-W93 HydrophobicContact CB-CD2 4.2Å; L18-W93 HydrophobicContact CB-CG 3.81Å; L18-W93 HydrophobicContact CD1-CB 4.23Å; L18-W93 HydrophobicContact CD1-CD2 3.87Å; L18-W93 HydrophobicContact CD1-CE3 3.99Å; L18-W93 HydrophobicContact CD1-CG 4.01Å; L18-W93 HydrophobicContact CD2-CZ2 4.5Å; L18-W93 HydrophobicContact CG-CD2 4.45Å; L18-W93 HydrophobicContact CG-CG 4.46Å
19F92.3Very high86.1Confident1 Ų166.1 Ų66.10%0.00432%0.323CS..Hα-helixtrans-72.5-23.8-177.7-64.3-79.5000113Y17 I21 L22 A23 V55 P57 L63 H65 G66 L88Y17-F19 PolarHBondContact O-N 3.32Å; F19-I21 VanDerWaalsContact C-N 3.28Å; F19-I21 PolarHBondContact O-N 3.31Å; F19-L22 PolarHBondContact O-N 2.98Å; F19-A23 WeakPolarHBondContact O-CB 3.38Å; F19-A23 PolarHBondContact O-N 2.92Å; F19-V55 HydrophobicContact CD1-CG1 3.97Å; F19-V55 HydrophobicContact CE1-CG1 3.61Å; F19-P57 HydrophobicContact CD1-CB 3.96Å; F19-P57 HydrophobicContact CE1-CB 4.36Å; F19-L63 HydrophobicContact CB-CB 4.2Å; F19-L63 WeakPolarHBondContact CB-O 3.46Å; F19-H65 VanDerWaalsContact CE2-C 3.44Å; F19-G66 VanDerWaalsContact CE2-N 3.31Å; F19-L88 HydrophobicContact CE2-CB 4.05Å; F19-L88 HydrophobicContact CE2-CD1 3.4Å; F19-L88 VanDerWaalsContact CE2-CD1 3.4Å; F19-L88 HydrophobicContact CE2-CG 4.33Å; F19-L88 HydrophobicContact CZ-CD1 3.47Å; F19-L88 VanDerWaalsContact CZ-CD1 3.47Å
20E91.5Very high87.6Confident66 Ų6663.5 Ų63.531%0.30832%0.321SS..Hα-helixtrans-60.8-41.5168.6-167.7-162.5147.600110.7K16 Y17 L18 Q24K16-E20 IonicContact NZ-OE1 2.68Å; Y17-E20 WeakPolarHBondContact O-CB 3.49Å; Y17-E20 PolarHBondContact O-N 3.12Å; L18-E20 VanDerWaalsContact C-N 3.3Å; L18-E20 PolarHBondContact O-N 3.41Å; E20-Q24 VanDerWaalsContact O-CG 3.28Å; E20-Q24 WeakPolarHBondContact O-CG 3.43Å
21I93.3Very high88.8Confident12 Ų1261.2 Ų61.26%0.06232%0.319CS..Hα-helixtrans-67.5-51.3174.7-64.6170.7000110.7K16 Y17 L18 F19 Q24 L25 W93 L95K16-I21 HydrophobicContact CB-CD1 4.02Å; K16-I21 HydrophobicContact CB-CG1 3.88Å; K16-I21 HydrophobicContact CD-CG1 4.16Å; Y17-I21 PolarHBondContact O-N 3.49Å; L18-I21 WeakPolarHBondContact O-CB 3.35Å; L18-I21 PolarHBondContact O-N 2.65Å; L18-I21 VanDerWaalsContact O-N 3.13Å; F19-I21 VanDerWaalsContact C-N 3.28Å; F19-I21 PolarHBondContact O-N 3.31Å; I21-Q24 PolarHBondContact O-N 3.03Å; I21-L25 HydrophobicContact CG2-CD1 4.31Å; I21-L25 WeakPolarHBondContact O-CG 3.42Å; I21-W93 HydrophobicContact CD1-CB 4.01Å; I21-W93 WeakPolarHBondContact CD1-O 3.35Å; I21-L95 HydrophobicContact CG2-CB 3.74Å; I21-L95 HydrophobicContact CG2-CD1 4.08Å; I21-L95 HydrophobicContact CG2-CD2 4.19Å; I21-L95 HydrophobicContact CG2-CG 4.22Å
22L93.6Very high90.1Very high0 Ų059.9 Ų59.90%031%0.31CS..Hα-helixtrans-68.9-37.7-171.8-63.2175.9000112.3L18 F19 Q24 L25 F28 V34 V52 V55 M68L18-L22 HydrophobicContact CD1-CD1 3.96Å; L18-L22 HydrophobicContact CD1-CG 4.16Å; L18-L22 HydrophobicContact CD2-CD1 4.09Å; L18-L22 HydrophobicContact CG-CD1 3.69Å; L18-L22 HydrophobicContact CG-CG 4.21Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 2.83Å; F19-L22 PolarHBondContact O-N 2.98Å; L22-Q24 PolarHBondContact O-N 2.99Å; L22-L25 PolarHBondContact O-N 3.47Å; L22-L25 VanDerWaalsContact O-N 3.08Å; L22-F28 WeakPolarHBondContact CD2-O 3.19Å; L22-F28 CarbonylContact O-C 3.54Å; L22-F28 WeakPolarHBondContact O-CA 3.47Å; L22-V34 HydrophobicContact CD2-CG2 4.24Å; L22-V52 HydrophobicContact CD2-CG2 3.91Å; L22-V55 HydrophobicContact CD1-CG1 3.87Å; L22-V55 HydrophobicContact CD1-CG2 3.9Å; L22-M68 HydrophobicContact CD1-SD 3.91Å
23A91.3Very high91.4Very high45 Ų4558.4 Ų58.437%0.37230%0.302SS..Hα-helixtrans-67-24.1179.500000113.4F19 L25 L63F19-A23 WeakPolarHBondContact O-CB 3.38Å; F19-A23 PolarHBondContact O-N 2.92Å; A23-L25 VanDerWaalsContact C-N 3.29Å; A23-L63 HydrophobicContact CB-CD2 3.47Å; A23-L63 VanDerWaalsContact CB-CD2 3.47Å
24Q92.8Very high92.4Very high136 Ų13655.8 Ų55.864%0.63628%0.281SS*.THydrogen-bonded Turntrans-79.7-13175.3-69.4174.55.400112.8E20 I21 L22E20-Q24 VanDerWaalsContact O-CG 3.28Å; E20-Q24 WeakPolarHBondContact O-CG 3.43Å; I21-Q24 PolarHBondContact O-N 3.03Å; L22-Q24 PolarHBondContact O-N 2.99Å
25L94.2Very high93Very high43 Ų4350.1 Ų50.123%0.22526%0.255CS..SBendtrans-96.1147.1-178.9-64.3170.9000111.3I21 L22 A23 D27 F28 L95I21-L25 HydrophobicContact CG2-CD1 4.31Å; I21-L25 WeakPolarHBondContact O-CG 3.42Å; L22-L25 PolarHBondContact O-N 3.47Å; L22-L25 VanDerWaalsContact O-N 3.08Å; A23-L25 VanDerWaalsContact C-N 3.29Å; L25-D27 PolarHBondContact O-N 2.79Å; L25-F28 PolarHBondContact O-N 3.19Å; L25-L95 HydrophobicContact CD1-CD1 3.74Å; L25-L95 HydrophobicContact CD1-CD2 3.87Å; L25-L95 HydrophobicContact CD1-CG 4.48Å; L25-L95 HydrophobicContact CD2-CD2 3.94Å; L25-L95 HydrophobicContact CG-CD2 4.38Å
26R93.5Very high93.2Very high214 Ų21450.3 Ų50.381%0.80825%0.25SC*.G310 helixtrans-59.6137.7171.8-178.1178.8169165.33.3110.1F28 G29R26-F28 PolarHBondContact O-N 3.3Å; R26-G29 PolarHBondContact O-N 3.41Å
27D94.2Very high93.2Very high109 Ų10946.4 Ų46.458%0.58324%0.236SC*.G310 helixtrans52.536.9-179.6-54.2-41.4000112L25 G29 V30L25-D27 PolarHBondContact O-N 2.79Å; D27-G29 PolarHBondContact O-N 3.11Å; D27-G29 VanDerWaalsContact O-N 3.11Å; D27-V30 VanDerWaalsContact O-CG2 3.23Å; D27-V30 WeakPolarHBondContact O-CG2 3.49Å; D27-V30 PolarHBondContact O-N 2.97Å
28F94.7Very high92.9Very high90 Ų9044.8 Ų44.840%0.39523%0.231SC..G310 helixtrans54.226.8-175.4-58.3-73.1000114.8L22 L25 R26 V30 V55 P57L22-F28 WeakPolarHBondContact CD2-O 3.19Å; L22-F28 CarbonylContact O-C 3.54Å; L22-F28 WeakPolarHBondContact O-CA 3.47Å; L25-F28 PolarHBondContact O-N 3.19Å; R26-F28 PolarHBondContact O-N 3.3Å; F28-V30 VanDerWaalsContact C-N 3.32Å; F28-V30 PolarHBondContact O-N 3.19Å; F28-V55 HydrophobicContact CB-CB 3.73Å; F28-V55 HydrophobicContact CB-CG1 4.18Å; F28-V55 HydrophobicContact CB-CG2 3.94Å; F28-V55 HydrophobicContact CG-CB 4.32Å; F28-P57 HydrophobicContact CD1-CG 4.38Å; F28-P57 HydrophobicContact CE1-CG 3.79Å; F28-P57 HydrophobicContact CZ-CG 4.01Å
29G93.9Very high92.8Very high1 Ų145.2 Ų45.21%0.0123%0.233CC..G310 helixtrans71.522178.600000114.3R26 D27 G31 R32R26-G29 PolarHBondContact O-N 3.41Å; D27-G29 PolarHBondContact O-N 3.11Å; D27-G29 VanDerWaalsContact O-N 3.11Å; G29-G31 PolarHBondContact O-N 3.27Å; G29-R32 WeakPolarHBondContact O-CB 3.4Å; G29-R32 WeakPolarHBondContact O-CG 3.35Å; G29-R32 PolarHBondContact O-N 3.39Å
30V96.3Very high92.6Very high77 Ų7749.4 Ų49.447%0.46725%0.249SC..THydrogen-bonded Turntrans-52.7131.1173.9172.10000110.8D27 F28 R32 R53D27-V30 VanDerWaalsContact O-CG2 3.23Å; D27-V30 WeakPolarHBondContact O-CG2 3.49Å; D27-V30 PolarHBondContact O-N 2.97Å; F28-V30 VanDerWaalsContact C-N 3.32Å; F28-V30 PolarHBondContact O-N 3.19Å; V30-R32 VanDerWaalsContact C-N 3.29Å; V30-R32 PolarHBondContact O-N 3.2Å; V30-R53 WeakPolarHBondContact CG1-O 3.23Å
31G94.9Very high92.3Very high46 Ų4649.3 Ų49.347%0.47425%0.245SC..THydrogen-bonded Turntrans83.2-8.8-175.300000115.2G29 V52G29-G31 PolarHBondContact O-N 3.27Å; G31-V52 PolarHBondContact N-O 3.47Å
32R95.4Very high92Very high34 Ų3452.3 Ų52.313%0.12826%0.256CS..  trans-81.5158.3174.3-61.4-82.3-79.6133.64.8110.6G29 V30 V52 L95 I96 E101G29-R32 WeakPolarHBondContact O-CB 3.4Å; G29-R32 WeakPolarHBondContact O-CG 3.35Å; G29-R32 PolarHBondContact O-N 3.39Å; V30-R32 VanDerWaalsContact C-N 3.29Å; V30-R32 PolarHBondContact O-N 3.2Å; R32-V52 PolarHBondContact O-N 3.08Å; R32-L95 HydrophobicContact CB-CD1 4.25Å; R32-L95 VanDerWaalsContact NH2-CG 3.33Å; R32-I96 VanDerWaalsContact CZ-O 3.29Å; R32-I96 PolarHBondContact NH1-O 2.95Å; R32-I96 PolarHBondContact NH2-O 2.95Å; R32-E101 IonicContact CZ-OE1 3.11Å; R32-E101 IonicContact NH1-OE1 3.68Å; R32-E101 PolarHBondContact NH1-OE1 3.07Å
33M95.2Very high91.7Very high6 Ų653.1 Ų53.13%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-102.8137.3177.6-59.5-176.3160.700111.7Y49 C50 V51 I96 E101 K105M33-Y49 HydrophobicContact CE-CD2 4.1Å; M33-Y49 HydrophobicContact CE-CE2 3.63Å; M33-Y49 HydrophobicContact CG-CD2 4.37Å; M33-Y49 HydrophobicContact SD-CD2 4.01Å; M33-Y49 HydrophobicContact SD-CE2 4.09Å; M33-C50 WeakPolarHBondContact CA-O 3.49Å; M33-V51 HydrophobicContact CE-CG2 3.78Å; M33-V51 HydrophobicContact CG-CG2 4.21Å; M33-I96 HydrophobicContact CB-CB 4.09Å; M33-I96 HydrophobicContact CB-CD1 3.88Å; M33-I96 HydrophobicContact CB-CG1 4.2Å; M33-I96 PolarHBondContact O-N 2.61Å; M33-E101 HydrophobicContact CB-CG 4.29Å; M33-E101 HydrophobicContact CG-CG 4.15Å; M33-E101 HydrophobicContact SD-CB 3.97Å; M33-E101 HydrophobicContact SD-CG 3.93Å; M33-K105 HydrophobicContact CE-CD 4.03Å; M33-K105 HydrophobicContact CE-CG 3.72Å
34V94.7Very high91.5Very high0 Ų053.4 Ų53.40%026%0.257CS..EExtended strand (participates in β ladder)trans-126.2149174.7-163.50000108.8L18 L22 Y49 C50 V52 W93 H94 L95L18-V34 HydrophobicContact CD1-CB 4.36Å; L18-V34 HydrophobicContact CD1-CG1 3.77Å; L18-V34 HydrophobicContact CD1-CG2 4.32Å; L22-V34 HydrophobicContact CD2-CG2 4.24Å; V34-Y49 WeakPolarHBondContact O-CA 3.48Å; V34-C50 PolarHBondContact N-O 2.91Å; V34-C50 PolarHBondContact O-N 3.11Å; V34-V52 HydrophobicContact CG2-CG2 3.93Å; V34-W93 HydrophobicContact CB-CE3 4.39Å; V34-W93 HydrophobicContact CG1-CB 4.22Å; V34-W93 HydrophobicContact CG1-CD2 4.46Å; V34-W93 HydrophobicContact CG1-CE3 3.67Å; V34-W93 HydrophobicContact CG1-CZ3 4.41Å; V34-H94 WeakPolarHBondContact CA-O 3.32Å; V34-H94 WeakPolarHBondContact CG1-O 3.33Å; V34-L95 HydrophobicContact CG2-CD1 4.33Å
35T93.2Very high91.2Very high1 Ų154.9 Ų54.91%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-136.1151.8178.1178.30000110.5R40 S48 H94 I96T35-R40 HydrophobicContact CG2-CG 4.42Å; T35-S48 PolarHBondContact OG1-O 2.77Å; T35-S48 VanDerWaalsContact OG1-O 3.08Å; T35-H94 HydrophobicContact CG2-CB 3.99Å; T35-H94 PolarHBondContact N-O 2.92Å; T35-H94 PolarHBondContact O-N 3.19Å; T35-I96 HydrophobicContact CG2-CD1 3.98Å; T35-I96 HydrophobicContact CG2-CG1 3.79Å
36K90.4Very high90.9Very high23 Ų2354.6 Ų54.610%0.126%0.259CS..EExtended strand (participates in β ladder)trans-80.2146.9166.5-66.2-173.6-172.9171.50110.2I38 W39 E87 D92 W93 E152K36-I38 VanDerWaalsContact C-N 3.32Å; K36-W39 HydrophobicContact CB-CD2 3.64Å; K36-W39 HydrophobicContact CB-CE3 3.71Å; K36-W39 HydrophobicContact CB-CG 4.04Å; K36-W39 HydrophobicContact CB-CH2 4.46Å; K36-W39 HydrophobicContact CB-CZ2 4.42Å; K36-W39 HydrophobicContact CB-CZ3 4.13Å; K36-W39 HydrophobicContact CD-CD2 4.26Å; K36-W39 HydrophobicContact CD-CH2 3.91Å; K36-W39 HydrophobicContact CD-CZ2 3.53Å; K36-W39 HydrophobicContact CD-CZ3 4.42Å; K36-W39 HydrophobicContact CG-CD2 4.08Å; K36-W39 HydrophobicContact CG-CE3 4.01Å; K36-W39 HydrophobicContact CG-CH2 3.85Å; K36-W39 HydrophobicContact CG-CZ2 3.94Å; K36-W39 HydrophobicContact CG-CZ3 3.89Å; K36-W39 VanDerWaalsContact N-CE3 3.32Å; K36-W39 PolarHBondContact O-N 3.31Å; K36-E87 IonicContact NZ-OE2 3.66Å; K36-D92 CarbonylContact C-O 3.51Å; K36-D92 WeakPolarHBondContact CA-O 3.15Å; K36-D92 WeakPolarHBondContact CB-OD2 3.35Å; K36-W93 HydrophobicContact CD-CH2 4.3Å; K36-W93 HydrophobicContact CD-CZ2 4.3Å; K36-W93 VanDerWaalsContact CE-CH2 3.41Å; K36-W93 HydrophobicContact CG-CD2 4.14Å; K36-W93 HydrophobicContact CG-CE3 3.89Å; K36-W93 HydrophobicContact CG-CH2 3.94Å; K36-W93 HydrophobicContact CG-CZ2 4.13Å; K36-W93 HydrophobicContact CG-CZ3 3.8Å; K36-E152 IonicContact NZ-OE1 3.28Å; K36-E152 PolarHBondContact NZ-OE1 3.31Å
37G88.9Confident90.7Very high12 Ų1247.1 Ų47.112%0.12423%0.233CC..Hα-helixtrans-66.6-35.2171.700000111.6W39 R40 R41 D92G37-W39 VanDerWaalsContact C-N 3.27Å; G37-W39 PolarHBondContact O-N 3.15Å; G37-R40 PolarHBondContact O-N 2.94Å; G37-R41 PolarHBondContact O-N 3.38Å; G37-D92 WeakPolarHBondContact CA-OD1 3.38Å; G37-D92 PolarHBondContact N-O 3.08Å; G37-D92 PolarHBondContact N-OD1 3.11Å; G37-D92 VanDerWaalsContact N-OD1 3.07Å; G37-D92 PolarHBondContact N-OD2 3.27Å
38I85.8Confident90.5Very high23 Ų2342 Ų4212%0.11821%0.205CC..Hα-helixtrans-52.2-48.2174.7-42.6-150.4000110.6L12 K36 R40 R41 R42 D92L12-I38 HydrophobicContact CD1-CD1 4.07Å; L12-I38 HydrophobicContact CD2-CB 4.41Å; L12-I38 HydrophobicContact CD2-CD1 3.58Å; L12-I38 HydrophobicContact CD2-CG1 3.65Å; L12-I38 HydrophobicContact CD2-CG2 4.49Å; L12-I38 HydrophobicContact CG-CD1 4.37Å; K36-I38 VanDerWaalsContact C-N 3.32Å; I38-R40 PolarHBondContact O-N 2.83Å; I38-R41 PolarHBondContact O-N 3.24Å; I38-R42 HydrophobicContact CG2-CG 4.02Å; I38-R42 WeakPolarHBondContact O-CB 3.28Å; I38-R42 WeakPolarHBondContact O-CG 3.46Å; I38-R42 PolarHBondContact O-N 3.48Å; I38-D92 WeakPolarHBondContact CG1-OD2 3.46Å; I38-D92 PolarHBondContact N-OD1 3.13Å; I38-D92 PolarHBondContact N-OD2 3.48Å
39W88.7Confident90.4Very high10 Ų1039.1 Ų39.14%0.03819%0.192CC..Hα-helixtrans-65.1-43.4-175.3-61.6-27.7000112K36 G37 R41 W43 W72 W93K36-W39 HydrophobicContact CB-CD2 3.64Å; K36-W39 HydrophobicContact CB-CE3 3.71Å; K36-W39 HydrophobicContact CB-CG 4.04Å; K36-W39 HydrophobicContact CB-CH2 4.46Å; K36-W39 HydrophobicContact CB-CZ2 4.42Å; K36-W39 HydrophobicContact CB-CZ3 4.13Å; K36-W39 HydrophobicContact CD-CD2 4.26Å; K36-W39 HydrophobicContact CD-CH2 3.91Å; K36-W39 HydrophobicContact CD-CZ2 3.53Å; K36-W39 HydrophobicContact CD-CZ3 4.42Å; K36-W39 HydrophobicContact CG-CD2 4.08Å; K36-W39 HydrophobicContact CG-CE3 4.01Å; K36-W39 HydrophobicContact CG-CH2 3.85Å; K36-W39 HydrophobicContact CG-CZ2 3.94Å; K36-W39 HydrophobicContact CG-CZ3 3.89Å; K36-W39 VanDerWaalsContact N-CE3 3.32Å; K36-W39 PolarHBondContact O-N 3.31Å; G37-W39 VanDerWaalsContact C-N 3.27Å; G37-W39 PolarHBondContact O-N 3.15Å; W39-R41 VanDerWaalsContact C-N 3.26Å; W39-R41 PolarHBondContact O-N 3.49Å; W39-W43 CarbonylContact O-C 3.32Å; W39-W43 PolarHBondContact O-N 3.22Å; W39-W72 AromaticContact CH2-NE1 3.35Å; W39-W72 VanDerWaalsContact CH2-NE1 3.35Å; W39-W72 HydrophobicContact CZ2-CZ2 4.1Å; W39-W72 AromaticContact CZ2-NE1 3.53Å; W39-W93 HydrophobicContact CH2-CH2 4.41Å; W39-W93 HydrophobicContact CH2-CZ3 4.39Å; W39-W93 HydrophobicContact CZ3-CZ3 4.41Å
40R88.6Confident90.4Very high90 Ų9039.1 Ų39.134%0.3419%0.192SC..Hα-helixtrans-61.8-36.4176.6-71.1-172.4171-152.21.5111.9T35 G37 I38 P44 E100T35-R40 HydrophobicContact CG2-CG 4.42Å; G37-R40 PolarHBondContact O-N 2.94Å; I38-R40 PolarHBondContact O-N 2.83Å; R40-P44 VanDerWaalsContact O-CA 3.32Å; R40-P44 WeakPolarHBondContact O-CA 3.49Å; R40-P44 WeakPolarHBondContact O-CB 3.23Å; R40-E100 IonicContact NH2-OE2 3.72Å
41R85.8Confident90.3Very high64 Ų6436.5 Ų36.524%0.24218%0.176CC..Hα-helixtrans-79.9-44.6-176.9-163.7168.868-132.64.3112.9I11 G37 I38 W39 E194I11-R41 PolarHBondContact O-NH1 3.04Å; G37-R41 PolarHBondContact O-N 3.38Å; I38-R41 PolarHBondContact O-N 3.24Å; W39-R41 VanDerWaalsContact C-N 3.26Å; W39-R41 PolarHBondContact O-N 3.49Å; R41-E194 IonicContact CZ-OE1 2.95Å; R41-E194 IonicContact CZ-OE2 2.74Å; R41-E194 IonicContact NE-OE1 2.67Å; R41-E194 PolarHBondContact NE-OE1 3.33Å; R41-E194 IonicContact NE-OE2 2.61Å; R41-E194 PolarHBondContact NE-OE2 3.37Å; R41-E194 IonicContact NH2-OE1 3.97Å; R41-E194 PolarHBondContact NH2-OE1 2.97Å; R41-E194 IonicContact NH2-OE2 3.14Å; R41-E194 PolarHBondContact NH2-OE2 2.99Å
42R86.6Confident90.4Very high74 Ų7434.3 Ų34.328%0.27915%0.153SC..Hα-helixtrans-66.2-49.5177.2-70.7-171.4-177.5176.72.8111.4I38 P44 Y191 G192 K193 E194I38-R42 HydrophobicContact CG2-CG 4.02Å; I38-R42 WeakPolarHBondContact O-CB 3.28Å; I38-R42 WeakPolarHBondContact O-CG 3.46Å; I38-R42 PolarHBondContact O-N 3.48Å; R42-P44 WeakPolarHBondContact O-CD 3.28Å; R42-Y191 WeakPolarHBondContact CG-O 3.43Å; R42-G192 CarbonylContact O-C 3.58Å; R42-G192 VanDerWaalsContact O-CA 3.3Å; R42-G192 WeakPolarHBondContact O-CA 3.46Å; R42-K193 PolarHBondContact O-N 3.15Å; R42-E194 HydrophobicContact CG-CB 4.38Å
43W87.3Confident90.4Very high17 Ų1739.8 Ų39.86%0.06417%0.174CC..  trans-128.374.3-174.6-55.1-77.9000112.5W39 K45 E46 R75 D189 F190W39-W43 CarbonylContact O-C 3.32Å; W39-W43 PolarHBondContact O-N 3.22Å; W43-K45 PolarHBondContact O-N 2.93Å; W43-K45 VanDerWaalsContact O-N 3.15Å; W43-E46 HydrophobicContact CB-CB 4.1Å; W43-E46 CarbonylContact O-C 3.56Å; W43-E46 PolarHBondContact O-N 3.07Å; W43-E46 VanDerWaalsContact O-N 3.13Å; W43-E46 VanDerWaalsContact O-O 3.09Å; W43-R75 HydrophobicContact CD2-CG 4.28Å; W43-R75 HydrophobicContact CE3-CG 4.38Å; W43-R75 HydrophobicContact CG-CG 4.48Å; W43-R75 VanDerWaalsContact NE1-CZ 3.26Å; W43-D189 PolarHBondContact NE1-O 3.37Å; W43-F190 WeakPolarHBondContact CZ2-O 3.45Å
44P86.9Confident90.5Very high52 Ų5244.2 Ų44.234%0.33819%0.193SC..THydrogen-bonded Turntrans-66.9-19.7-17625.4-35.1000114.3R40 R42 K193R40-P44 VanDerWaalsContact O-CA 3.32Å; R40-P44 WeakPolarHBondContact O-CA 3.49Å; R40-P44 WeakPolarHBondContact O-CB 3.23Å; R42-P44 WeakPolarHBondContact O-CD 3.28Å; P44-K193 HydrophobicContact CG-CD 3.82Å
45K86.3Confident90.5Very high166 Ų16644.9 Ų44.972%0.72220%0.197SC*.THydrogen-bonded Turntrans-91.7-17.3177.6-66-174.4177.8-177.80112.9W43W43-K45 PolarHBondContact O-N 2.93Å; W43-K45 VanDerWaalsContact O-N 3.15Å
46E87Confident90.5Very high38 Ų3848.7 Ų48.718%0.17822%0.215CC..SBendtrans-120.694.1-173.2-57.9172.9-155.500108.7W43 S48 R75 V108 P111W43-E46 HydrophobicContact CB-CB 4.1Å; W43-E46 CarbonylContact O-C 3.56Å; W43-E46 PolarHBondContact O-N 3.07Å; W43-E46 VanDerWaalsContact O-N 3.13Å; W43-E46 VanDerWaalsContact O-O 3.09Å; E46-S48 PolarHBondContact O-N 2.68Å; E46-R75 HydrophobicContact CB-CB 4.21Å; E46-R75 HydrophobicContact CB-CG 4.48Å; E46-R75 VanDerWaalsContact CD-NH2 3.32Å; E46-R75 IonicContact OE1-NH2 3.14Å; E46-R75 PolarHBondContact OE1-NH2 2.98Å; E46-R75 VanDerWaalsContact OE1-NH2 3.11Å; E46-R75 WeakPolarHBondContact OE2-CB 3.45Å; E46-R75 IonicContact OE2-CZ 2.78Å; E46-R75 IonicContact OE2-NE 2.71Å; E46-R75 PolarHBondContact OE2-NE 3.48Å; E46-R75 IonicContact OE2-NH2 3.36Å; E46-R75 PolarHBondContact OE2-NH2 3.32Å; E46-V108 HydrophobicContact CG-CG1 4.29Å; E46-P111 WeakPolarHBondContact OE2-CG 3.43Å
47F88.9Confident90.5Very high57 Ų5750.2 Ų50.225%0.2523%0.227CC..  trans-67.8133.8-171.8-61.6-61.5000111.6Y49 G76 F104F47-Y49 HydrophobicContact CB-CD1 4.49Å; F47-G76 PolarHBondContact O-N 3.42Å; F47-F104 HydrophobicContact CB-CD1 3.59Å; F47-F104 HydrophobicContact CB-CE1 3.98Å; F47-F104 HydrophobicContact CB-CG 4.36Å; F47-F104 AromaticContact CD1-CD1 3.79Å; F47-F104 HydrophobicContact CD1-CD1 3.79Å; F47-F104 AromaticContact CD1-CE1 3.43Å; F47-F104 HydrophobicContact CD1-CE1 3.43Å; F47-F104 VanDerWaalsContact CD1-CE1 3.43Å; F47-F104 HydrophobicContact CD1-CG 4.42Å; F47-F104 AromaticContact CD1-CZ 3.81Å; F47-F104 HydrophobicContact CD1-CZ 3.81Å; F47-F104 HydrophobicContact CE1-CE1 4.2Å; F47-F104 HydrophobicContact CE1-CZ 4.12Å; F47-F104 AromaticContact CG-CD1 3.77Å; F47-F104 HydrophobicContact CG-CD1 3.77Å; F47-F104 AromaticContact CG-CE1 3.92Å; F47-F104 HydrophobicContact CG-CE1 3.92Å; F47-F104 HydrophobicContact CG-CG 4.28Å
48S90.2Very high90.6Very high2 Ų255.7 Ų55.71%0.01425%0.25CC..  trans-121.9130.3171.5-500000108.1T35 E46 V73 R75T35-S48 PolarHBondContact OG1-O 2.77Å; T35-S48 VanDerWaalsContact OG1-O 3.08Å; E46-S48 PolarHBondContact O-N 2.68Å; S48-V73 CarbonylContact C-O 3.59Å; S48-V73 WeakPolarHBondContact CA-O 3.44Å; S48-R75 PolarHBondContact OG-N 2.81Å
49Y93.2Very high90.6Very high29 Ų2964.2 Ų64.211%0.11429%0.291CS..EExtended strand (participates in β ladder)trans-156.2159.9-17462.3-93000111.1M33 V34 F47 V51 V73 F104M33-Y49 HydrophobicContact CE-CD2 4.1Å; M33-Y49 HydrophobicContact CE-CE2 3.63Å; M33-Y49 HydrophobicContact CG-CD2 4.37Å; M33-Y49 HydrophobicContact SD-CD2 4.01Å; M33-Y49 HydrophobicContact SD-CE2 4.09Å; V34-Y49 WeakPolarHBondContact O-CA 3.48Å; F47-Y49 HydrophobicContact CB-CD1 4.49Å; Y49-V51 HydrophobicContact CD2-CG2 3.94Å; Y49-V51 HydrophobicContact CE2-CG2 3.71Å; Y49-V73 HydrophobicContact CD1-CB 4.27Å; Y49-V73 HydrophobicContact CD1-CG1 4.49Å; Y49-V73 HydrophobicContact CD2-CB 4.38Å; Y49-V73 HydrophobicContact CD2-CG2 4.43Å; Y49-V73 HydrophobicContact CE1-CB 3.96Å; Y49-V73 HydrophobicContact CE1-CG1 3.92Å; Y49-V73 HydrophobicContact CE1-CG2 4.37Å; Y49-V73 HydrophobicContact CE2-CB 4.05Å; Y49-V73 HydrophobicContact CE2-CG2 3.76Å; Y49-V73 HydrophobicContact CG-CB 4.48Å; Y49-V73 PolarHBondContact N-O 3.03Å; Y49-V73 PolarHBondContact O-N 3.41Å; Y49-F104 HydrophobicContact CD1-CB 4.11Å; Y49-F104 HydrophobicContact CD1-CD1 4.03Å; Y49-F104 HydrophobicContact CE1-CB 4.27Å; Y49-F104 WeakPolarHBondContact CE1-O 3.49Å; Y49-F104 HydrophobicContact CG-CD1 4.49Å
50C93.5Very high90.4Very high0 Ų066 Ų660%030%0.302CS..EExtended strand (participates in β ladder)trans-117.5126.7176.6-62.70000109.2M33 V34 A70 D71M33-C50 WeakPolarHBondContact CA-O 3.49Å; V34-C50 PolarHBondContact N-O 2.91Å; V34-C50 PolarHBondContact O-N 3.11Å; C50-A70 HydrophobicContact CB-CB 3.9Å; C50-D71 CarbonylContact C-O 3.55Å; C50-D71 WeakPolarHBondContact CA-O 3.45Å
51V95.3Very high90.3Very high23 Ų2371.8 Ų71.814%0.13932%0.323CS..EExtended strand (participates in β ladder)trans-93.9114.9171.4-169.80000108.8M33 Y49 R53 A70 D71M33-V51 HydrophobicContact CE-CG2 3.78Å; M33-V51 HydrophobicContact CG-CG2 4.21Å; Y49-V51 HydrophobicContact CD2-CG2 3.94Å; Y49-V51 HydrophobicContact CE2-CG2 3.71Å; V51-R53 PolarHBondContact O-N 3.37Å; V51-A70 CarbonylContact O-C 3.6Å; V51-A70 WeakPolarHBondContact O-CA 3.49Å; V51-A70 VanDerWaalsContact O-CB 3.23Å; V51-A70 WeakPolarHBondContact O-CB 3.18Å; V51-D71 HydrophobicContact CB-CB 4.16Å; V51-D71 HydrophobicContact CG2-CB 4.48Å; V51-D71 PolarHBondContact N-O 2.8Å; V51-D71 PolarHBondContact O-N 2.87Å
52V96Very high90.3Very high0 Ų076.8 Ų76.80%034%0.342CS..EExtended strand (participates in β ladder)trans-67.1126.1-176-176.30000110.1L22 G31 R32 V34 V55 M68L22-V52 HydrophobicContact CD2-CG2 3.91Å; G31-V52 PolarHBondContact N-O 3.47Å; R32-V52 PolarHBondContact O-N 3.08Å; V34-V52 HydrophobicContact CG2-CG2 3.93Å; V52-V55 HydrophobicContact CG1-CG2 3.29Å; V52-M68 HydrophobicContact CG1-SD 4.42Å; V52-M68 HydrophobicContact CG2-SD 3.95Å
53R96.3Very high90.3Very high148 Ų14876.4 Ų76.456%0.55835%0.345SS*.EExtended strand (participates in β ladder)trans-108-43.2176.5-69.8-66.4-172.4178-2.1112.5V30 V51 W69 D71V30-R53 WeakPolarHBondContact CG1-O 3.23Å; V51-R53 PolarHBondContact O-N 3.37Å; R53-W69 WeakPolarHBondContact CA-O 3.33Å; R53-W69 WeakPolarHBondContact CB-O 3.38Å; R53-W69 PolarHBondContact N-O 2.93Å; R53-D71 IonicContact CZ-OD2 2.77Å; R53-D71 IonicContact NE-OD1 2.64Å; R53-D71 IonicContact NE-OD2 3.11Å; R53-D71 PolarHBondContact NE-OD2 2.86Å; R53-D71 IonicContact NH2-OD2 3.62Å; R53-D71 PolarHBondContact NH2-OD2 2.71Å
54K95.9Very high90.1Very high100 Ų10077.9 Ų77.944%0.43535%0.354SS..EExtended strand (participates in β ladder)trans-151144.8178.7-174.5-177.9175.1-162.10109.3E56 W69K54-E56 WeakPolarHBondContact CE-OE1 3.23Å; K54-E56 IonicContact NZ-OE1 3.9Å; K54-E56 PolarHBondContact NZ-OE1 2.88Å; K54-W69 HydrophobicContact CB-CB 4.14Å; K54-W69 HydrophobicContact CB-CD2 4.25Å; K54-W69 HydrophobicContact CB-CE3 3.74Å; K54-W69 HydrophobicContact CB-CG 4.46Å; K54-W69 HydrophobicContact CD-CD2 4.34Å; K54-W69 HydrophobicContact CD-CE3 3.83Å; K54-W69 HydrophobicContact CD-CZ3 3.97Å; K54-W69 HydrophobicContact CG-CE3 3.75Å; K54-W69 HydrophobicContact CG-CZ3 4.08Å; K54-W69 PolarHBondContact N-O 3.38Å; K54-W69 VanDerWaalsContact N-O 3.11Å; K54-W69 PolarHBondContact O-N 2.91Å
55V95Very high90.2Very high14 Ų1478.8 Ų78.89%0.08535%0.353CS..EExtended strand (participates in β ladder)trans-135.1132179.6-170.90000108.3F19 L22 F28 V52 M68F19-V55 HydrophobicContact CD1-CG1 3.97Å; F19-V55 HydrophobicContact CE1-CG1 3.61Å; L22-V55 HydrophobicContact CD1-CG1 3.87Å; L22-V55 HydrophobicContact CD1-CG2 3.9Å; F28-V55 HydrophobicContact CB-CB 3.73Å; F28-V55 HydrophobicContact CB-CG1 4.18Å; F28-V55 HydrophobicContact CB-CG2 3.94Å; F28-V55 HydrophobicContact CG-CB 4.32Å; V52-V55 HydrophobicContact CG1-CG2 3.29Å; V55-M68 HydrophobicContact CG2-CG 4.36Å
56E93.5Very high90.4Very high81 Ų8171.3 Ų71.338%0.37932%0.323SS..EExtended strand (participates in β ladder)trans-125.589.5171.7-75.1177.7-172.700107.6K54 G66 K67 W69K54-E56 WeakPolarHBondContact CE-OE1 3.23Å; K54-E56 IonicContact NZ-OE1 3.9Å; K54-E56 PolarHBondContact NZ-OE1 2.88Å; E56-G66 CarbonylContact O-C 3.47Å; E56-G66 WeakPolarHBondContact O-CA 3.1Å; E56-K67 HydrophobicContact CB-CB 4.31Å; E56-K67 PolarHBondContact N-O 2.86Å; E56-K67 PolarHBondContact O-N 3.29Å; E56-W69 HydrophobicContact CB-CH2 4.49Å; E56-W69 HydrophobicContact CB-CZ3 4.05Å; E56-W69 HydrophobicContact CG-CH2 4.15Å; E56-W69 HydrophobicContact CG-CZ3 3.75Å; E56-W69 WeakPolarHBondContact OE2-CH2 3.48Å
57P91.2Very high90.7Very high55 Ų5574.1 Ų74.136%0.35734%0.335SS..EExtended strand (participates in β ladder)trans-66.4143175.928.7-33.1000110.3F19 F28F19-P57 HydrophobicContact CD1-CB 3.96Å; F19-P57 HydrophobicContact CE1-CB 4.36Å; F28-P57 HydrophobicContact CD1-CG 4.38Å; F28-P57 HydrophobicContact CE1-CG 3.79Å; F28-P57 HydrophobicContact CZ-CG 4.01Å
58E90.1Very high90.9Very high127 Ų12771.4 Ų71.459%0.59332%0.323SS*.  trans-80.3152.1168.6-168.6166.5-177.200109.8D60 H65E58-D60 PolarHBondContact O-N 3.33Å; E58-H65 HydrophobicContact CB-CB 4.16Å; E58-H65 WeakPolarHBondContact CB-O 3.4Å; E58-H65 PolarHBondContact N-O 2.85Å
59M86.3Confident91.1Very high202 Ų20274.2 Ų74.2100%0.99533%0.333SS*.  trans-76.967.6176-72.8-118-93.900110.7
60D84.9Confident91.1Very high47 Ų4772.9 Ų72.925%0.25133%0.328SS..  trans-102144.5174.3176.934.2000111.3E58 W62 L63 M64 H65E58-D60 PolarHBondContact O-N 3.33Å; D60-W62 PolarHBondContact O-N 2.82Å; D60-W62 PolarHBondContact OD2-N 3.34Å; D60-L63 PolarHBondContact O-N 2.88Å; D60-L63 PolarHBondContact OD2-N 2.84Å; D60-M64 PolarHBondContact OD2-N 3.27Å; D60-H65 IonicContact OD2-CD2 2.65Å
61R86Confident91.1Very high212 Ų21274.6 Ų74.680%0.834%0.337SS*.THydrogen-bonded Turntrans-63.4-31.3-179.7-176.7175.2-176.2178.71.2112.2
62W85.5Confident90.9Very high168 Ų16873.5 Ų73.564%0.63633%0.331SS*.THydrogen-bonded Turntrans-102.6-0-174.9-57106.8000113.6D60 M64D60-W62 PolarHBondContact O-N 2.82Å; D60-W62 PolarHBondContact OD2-N 3.34Å; W62-M64 HydrophobicContact CB-CE 3.69Å; W62-M64 HydrophobicContact CB-CG 3.82Å; W62-M64 HydrophobicContact CB-SD 4.17Å; W62-M64 HydrophobicContact CG-CE 4.15Å; W62-M64 PolarHBondContact O-N 2.64Å
63L86.1Confident90.6Very high66 Ų6674.3 Ų74.335%0.34634%0.335SS..SBendtrans5144.7-175-67.282.4000111.7F19 A23 D60F19-L63 HydrophobicContact CB-CB 4.2Å; F19-L63 WeakPolarHBondContact CB-O 3.46Å; A23-L63 HydrophobicContact CB-CD2 3.47Å; A23-L63 VanDerWaalsContact CB-CD2 3.47Å; D60-L63 PolarHBondContact O-N 2.88Å; D60-L63 PolarHBondContact OD2-N 2.84Å
64M85.2Confident90.1Very high48 Ų4867.5 Ų67.524%0.23631%0.31CS..  trans-89.3-31.6176.9-65.1-174-178.300111.9Y17 D60 W62Y17-M64 HydrophobicContact CD1-CB 4.48Å; Y17-M64 HydrophobicContact CD1-CG 4.02Å; Y17-M64 HydrophobicContact CE1-CB 4.49Å; Y17-M64 HydrophobicContact CE1-CE 4.15Å; Y17-M64 HydrophobicContact CE1-CG 3.81Å; Y17-M64 HydrophobicContact CE1-SD 4.03Å; Y17-M64 HydrophobicContact CE2-CE 3.74Å; Y17-M64 HydrophobicContact CE2-CG 4.4Å; Y17-M64 HydrophobicContact CG-CG 4.4Å; Y17-M64 VanDerWaalsContact CZ-CE 3.44Å; Y17-M64 VanDerWaalsContact OH-CE 3.24Å; Y17-M64 WeakPolarHBondContact OH-CE 3.35Å; D60-M64 PolarHBondContact OD2-N 3.27Å; W62-M64 HydrophobicContact CB-CE 3.69Å; W62-M64 HydrophobicContact CB-CG 3.82Å; W62-M64 HydrophobicContact CB-SD 4.17Å; W62-M64 HydrophobicContact CG-CE 4.15Å; W62-M64 PolarHBondContact O-N 2.64Å
65H87.9Confident89.7Confident72 Ų7262.9 Ų62.933%0.33329%0.29SS..  trans-112.8154.6-167.3-52.9-53.8000113.7F19 E58 D60 D89F19-H65 VanDerWaalsContact CE2-C 3.44Å; E58-H65 HydrophobicContact CB-CB 4.16Å; E58-H65 WeakPolarHBondContact CB-O 3.4Å; E58-H65 PolarHBondContact N-O 2.85Å; D60-H65 IonicContact OD2-CD2 2.65Å; H65-D89 IonicContact CE1-OD1 3.84Å; H65-D89 PolarHBondContact CE1-OD1 2.88Å; H65-D89 IonicContact CE1-OD2 3.4Å; H65-D89 IonicContact ND1-OD1 3.85Å; H65-D89 PolarHBondContact ND1-OD1 3.13Å; H65-D89 IonicContact ND1-OD2 2.89Å
66G90.5Very high89.2Confident8 Ų863.5 Ų63.58%0.08230%0.299CS..EExtended strand (participates in β ladder)trans158.4-168.6175.500000111.8F19 E56F19-G66 VanDerWaalsContact CE2-N 3.31Å; E56-G66 CarbonylContact O-C 3.47Å; E56-G66 WeakPolarHBondContact O-CA 3.1Å
67K92.9Very high88.8Confident97 Ų9762.3 Ų62.342%0.42229%0.292SS..EExtended strand (participates in β ladder)trans-122.9134.4178.6-64.5175.9-172.4172.80110.3E56 W69 L83 F84E56-K67 HydrophobicContact CB-CB 4.31Å; E56-K67 PolarHBondContact N-O 2.86Å; E56-K67 PolarHBondContact O-N 3.29Å; K67-W69 HydrophobicContact CB-CH2 4.03Å; K67-W69 HydrophobicContact CB-CZ3 4.01Å; K67-W69 HydrophobicContact CD-CH2 4.41Å; K67-L83 HydrophobicContact CB-CD1 4.01Å; K67-F84 WeakPolarHBondContact CA-O 3.4Å
68M92.9Very high88.5Confident0 Ų064.9 Ų64.90%031%0.309CS..EExtended strand (participates in β ladder)trans-128.6127.4173.9178.6-17967.400110.4L18 L22 V52 V55 A70 L83 F84 L88L18-M68 HydrophobicContact CD1-SD 4.4Å; L18-M68 HydrophobicContact CD2-CB 4.41Å; L18-M68 HydrophobicContact CD2-CE 3.51Å; L18-M68 HydrophobicContact CD2-SD 3.7Å; L18-M68 HydrophobicContact CG-SD 4.5Å; L22-M68 HydrophobicContact CD1-SD 3.91Å; V52-M68 HydrophobicContact CG1-SD 4.42Å; V52-M68 HydrophobicContact CG2-SD 3.95Å; V55-M68 HydrophobicContact CG2-CG 4.36Å; M68-A70 HydrophobicContact CE-CB 4.06Å; M68-A70 HydrophobicContact CG-CB 4.28Å; M68-A70 HydrophobicContact SD-CB 4.27Å; M68-L83 CarbonylContact O-C 3.46Å; M68-L83 WeakPolarHBondContact O-CA 3.46Å; M68-F84 HydrophobicContact CB-CB 4.39Å; M68-F84 HydrophobicContact CE-CB 4.33Å; M68-F84 HydrophobicContact CE-CD2 3.42Å; M68-F84 VanDerWaalsContact CE-CD2 3.42Å; M68-F84 HydrophobicContact CE-CE2 3.95Å; M68-F84 HydrophobicContact CE-CG 3.98Å; M68-F84 PolarHBondContact N-O 2.78Å; M68-F84 PolarHBondContact O-N 3.15Å; M68-L88 HydrophobicContact CB-CD1 4.45Å
69W94.7Very high88.3Confident62 Ų6260.6 Ų60.624%0.23529%0.29CS..EExtended strand (participates in β ladder)trans-95.4123.1164.5-62.4-98.5000108.5R53 K54 E56 K67 V81 F82 L83R53-W69 WeakPolarHBondContact CA-O 3.33Å; R53-W69 WeakPolarHBondContact CB-O 3.38Å; R53-W69 PolarHBondContact N-O 2.93Å; K54-W69 HydrophobicContact CB-CB 4.14Å; K54-W69 HydrophobicContact CB-CD2 4.25Å; K54-W69 HydrophobicContact CB-CE3 3.74Å; K54-W69 HydrophobicContact CB-CG 4.46Å; K54-W69 HydrophobicContact CD-CD2 4.34Å; K54-W69 HydrophobicContact CD-CE3 3.83Å; K54-W69 HydrophobicContact CD-CZ3 3.97Å; K54-W69 HydrophobicContact CG-CE3 3.75Å; K54-W69 HydrophobicContact CG-CZ3 4.08Å; K54-W69 PolarHBondContact N-O 3.38Å; K54-W69 VanDerWaalsContact N-O 3.11Å; K54-W69 PolarHBondContact O-N 2.91Å; E56-W69 HydrophobicContact CB-CH2 4.49Å; E56-W69 HydrophobicContact CB-CZ3 4.05Å; E56-W69 HydrophobicContact CG-CH2 4.15Å; E56-W69 HydrophobicContact CG-CZ3 3.75Å; E56-W69 WeakPolarHBondContact OE2-CH2 3.48Å; K67-W69 HydrophobicContact CB-CH2 4.03Å; K67-W69 HydrophobicContact CB-CZ3 4.01Å; K67-W69 HydrophobicContact CD-CH2 4.41Å; W69-V81 HydrophobicContact CB-CG1 4.35Å; W69-F82 WeakPolarHBondContact CA-O 3.1Å; W69-L83 HydrophobicContact CD2-CD1 3.9Å; W69-L83 HydrophobicContact CE3-CD1 4.41Å; W69-L83 HydrophobicContact CG-CD1 4.28Å; W69-L83 HydrophobicContact CH2-CD1 4.35Å; W69-L83 HydrophobicContact CZ2-CD1 3.84Å
70A93.8Very high88.4Confident0 Ų052.7 Ų52.70%026%0.26CS..EExtended strand (participates in β ladder)trans-140.7147.2177.700000111.5C50 V51 M68 W72 V81 F82 F84C50-A70 HydrophobicContact CB-CB 3.9Å; V51-A70 CarbonylContact O-C 3.6Å; V51-A70 WeakPolarHBondContact O-CA 3.49Å; V51-A70 VanDerWaalsContact O-CB 3.23Å; V51-A70 WeakPolarHBondContact O-CB 3.18Å; M68-A70 HydrophobicContact CE-CB 4.06Å; M68-A70 HydrophobicContact CG-CB 4.28Å; M68-A70 HydrophobicContact SD-CB 4.27Å; A70-W72 PolarHBondContact O-N 3.07Å; A70-V81 WeakPolarHBondContact O-CA 3.44Å; A70-F82 PolarHBondContact N-O 3.13Å; A70-F82 PolarHBondContact O-N 3.47Å; A70-F84 HydrophobicContact CB-CD2 4.41Å; A70-F84 HydrophobicContact CB-CE2 4.1Å
71D93.1Very high88.7Confident36 Ų3654.3 Ų54.319%0.19327%0.272CS..EExtended strand (participates in β ladder)trans-73.6116165.5-61.5-24.7000107.1C50 V51 R53 G80 V81C50-D71 CarbonylContact C-O 3.55Å; C50-D71 WeakPolarHBondContact CA-O 3.45Å; V51-D71 HydrophobicContact CB-CB 4.16Å; V51-D71 HydrophobicContact CG2-CB 4.48Å; V51-D71 PolarHBondContact N-O 2.8Å; V51-D71 PolarHBondContact O-N 2.87Å; R53-D71 IonicContact CZ-OD2 2.77Å; R53-D71 IonicContact NE-OD1 2.64Å; R53-D71 IonicContact NE-OD2 3.11Å; R53-D71 PolarHBondContact NE-OD2 2.86Å; R53-D71 IonicContact NH2-OD2 3.62Å; R53-D71 PolarHBondContact NH2-OD2 2.71Å; D71-G80 WeakPolarHBondContact CA-O 3.49Å; D71-V81 VanDerWaalsContact OD1-CG2 3.28Å; D71-V81 WeakPolarHBondContact OD1-CG2 3.37Å
72W90.4Very high88.8Confident1 Ų144.4 Ų44.40%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-101.6128.1-176.3-175.124.5000110.4W39 A70 L74 L79 G80 F82 F84 E152W39-W72 AromaticContact CH2-NE1 3.35Å; W39-W72 VanDerWaalsContact CH2-NE1 3.35Å; W39-W72 HydrophobicContact CZ2-CZ2 4.1Å; W39-W72 AromaticContact CZ2-NE1 3.53Å; A70-W72 PolarHBondContact O-N 3.07Å; W72-L74 HydrophobicContact CH2-CD2 4.29Å; W72-L74 HydrophobicContact CZ2-CB 4.17Å; W72-L74 HydrophobicContact CZ2-CD1 4.07Å; W72-L74 HydrophobicContact CZ2-CD2 4.07Å; W72-L74 HydrophobicContact CZ2-CG 4.33Å; W72-L79 HydrophobicContact CD2-CD1 3.77Å; W72-L79 HydrophobicContact CE3-CB 4.45Å; W72-L79 HydrophobicContact CE3-CD1 3.55Å; W72-L79 HydrophobicContact CG-CD1 4.44Å; W72-L79 HydrophobicContact CH2-CD1 3.53Å; W72-L79 HydrophobicContact CZ2-CD1 3.95Å; W72-L79 HydrophobicContact CZ3-CD1 3.4Å; W72-L79 VanDerWaalsContact CZ3-CD1 3.4Å; W72-L79 PolarHBondContact O-N 3.46Å; W72-G80 PolarHBondContact N-O 3.43Å; W72-F82 HydrophobicContact CB-CB 4.37Å; W72-F82 HydrophobicContact CE3-CB 4.25Å; W72-F82 HydrophobicContact CE3-CD2 4.37Å; W72-F82 HydrophobicContact CE3-CG 4.23Å; W72-F84 HydrophobicContact CB-CZ 4.45Å; W72-F84 HydrophobicContact CD2-CZ 4.13Å; W72-F84 HydrophobicContact CE3-CZ 4.37Å; W72-F84 HydrophobicContact CG-CZ 4.16Å; W72-E152 HydrophobicContact CH2-CB 3.25Å; W72-E152 HydrophobicContact CH2-CG 3.23Å; W72-E152 HydrophobicContact CZ2-CB 4.04Å; W72-E152 HydrophobicContact CZ2-CG 3.71Å; W72-E152 WeakPolarHBondContact CZ2-OE2 3.28Å; W72-E152 HydrophobicContact CZ3-CB 3.99Å; W72-E152 HydrophobicContact CZ3-CG 3.87Å
73V89.7Confident89Confident16 Ų1639.2 Ų39.210%0.09722%0.219CC..EExtended strand (participates in β ladder)trans-116.9120.1175.1-178.40000107.4S48 Y49 K77S48-V73 CarbonylContact C-O 3.59Å; S48-V73 WeakPolarHBondContact CA-O 3.44Å; Y49-V73 HydrophobicContact CD1-CB 4.27Å; Y49-V73 HydrophobicContact CD1-CG1 4.49Å; Y49-V73 HydrophobicContact CD2-CB 4.38Å; Y49-V73 HydrophobicContact CD2-CG2 4.43Å; Y49-V73 HydrophobicContact CE1-CB 3.96Å; Y49-V73 HydrophobicContact CE1-CG1 3.92Å; Y49-V73 HydrophobicContact CE1-CG2 4.37Å; Y49-V73 HydrophobicContact CE2-CB 4.05Å; Y49-V73 HydrophobicContact CE2-CG2 3.76Å; Y49-V73 HydrophobicContact CG-CB 4.48Å; Y49-V73 PolarHBondContact N-O 3.03Å; Y49-V73 PolarHBondContact O-N 3.41Å; V73-K77 CarbonylContact C-O 3.58Å; V73-K77 WeakPolarHBondContact CA-O 3.43Å
74L87.2Confident89.1Confident5 Ų536.1 Ų36.13%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-116.8122.9179.7-178.968.8000109.2W72 G76 K77 L79 A156 L158W72-L74 HydrophobicContact CH2-CD2 4.29Å; W72-L74 HydrophobicContact CZ2-CB 4.17Å; W72-L74 HydrophobicContact CZ2-CD1 4.07Å; W72-L74 HydrophobicContact CZ2-CD2 4.07Å; W72-L74 HydrophobicContact CZ2-CG 4.33Å; L74-G76 PolarHBondContact O-N 3.37Å; L74-G76 VanDerWaalsContact O-N 3.15Å; L74-K77 PolarHBondContact N-O 3.24Å; L74-K77 WeakPolarHBondContact O-CB 3.34Å; L74-K77 PolarHBondContact O-N 2.98Å; L74-L79 HydrophobicContact CB-CD1 3.67Å; L74-L79 HydrophobicContact CB-CG 4.26Å; L74-L79 HydrophobicContact CD2-CD1 4.15Å; L74-A156 HydrophobicContact CD2-CB 4.17Å; L74-L158 HydrophobicContact CD2-CD1 3.71Å; L74-L158 HydrophobicContact CD2-CD2 4.34Å
75R86.4Confident89.1Confident4 Ų436.8 Ų36.82%0.01521%0.209CC..THydrogen-bonded Turntrans48.143.3-180-59-178.770.6-176.1-6.5112.2W43 E46 S48 K77 P111 D189W43-R75 HydrophobicContact CD2-CG 4.28Å; W43-R75 HydrophobicContact CE3-CG 4.38Å; W43-R75 HydrophobicContact CG-CG 4.48Å; W43-R75 VanDerWaalsContact NE1-CZ 3.26Å; E46-R75 HydrophobicContact CB-CB 4.21Å; E46-R75 HydrophobicContact CB-CG 4.48Å; E46-R75 VanDerWaalsContact CD-NH2 3.32Å; E46-R75 IonicContact OE1-NH2 3.14Å; E46-R75 PolarHBondContact OE1-NH2 2.98Å; E46-R75 VanDerWaalsContact OE1-NH2 3.11Å; E46-R75 WeakPolarHBondContact OE2-CB 3.45Å; E46-R75 IonicContact OE2-CZ 2.78Å; E46-R75 IonicContact OE2-NE 2.71Å; E46-R75 PolarHBondContact OE2-NE 3.48Å; E46-R75 IonicContact OE2-NH2 3.36Å; E46-R75 PolarHBondContact OE2-NH2 3.32Å; S48-R75 PolarHBondContact OG-N 2.81Å; R75-K77 VanDerWaalsContact C-N 3.28Å; R75-K77 PolarHBondContact O-N 3.5Å; R75-P111 HydrophobicContact CB-CG 4.06Å; R75-P111 VanDerWaalsContact CZ-CG 3.46Å; R75-P111 WeakPolarHBondContact O-CD 3.16Å; R75-D189 IonicContact CZ-OD2 3.46Å; R75-D189 IonicContact NH1-OD2 3.13Å; R75-D189 PolarHBondContact NH1-OD2 3.23Å; R75-D189 IonicContact NH2-OD1 2.7Å; R75-D189 PolarHBondContact NH2-OD1 3.34Å; R75-D189 IonicContact NH2-OD2 3.07Å; R75-D189 PolarHBondContact NH2-OD2 3.05Å
76G85.1Confident88.4Confident26 Ų2641.6 Ų41.627%0.26823%0.23SC..THydrogen-bonded Turntrans77.9-9.9-176.600000116.8F47 L74F47-G76 PolarHBondContact O-N 3.42Å; L74-G76 PolarHBondContact O-N 3.37Å; L74-G76 VanDerWaalsContact O-N 3.15Å
77K84Confident87.4Confident57 Ų5743.4 Ų43.425%0.24824%0.236CC..EExtended strand (participates in β ladder)trans-86.7126.4175.4-66.5-167.9178.5-173.10111.5V73 L74 R75 L79 P110 L158 C159V73-K77 CarbonylContact C-O 3.58Å; V73-K77 WeakPolarHBondContact CA-O 3.43Å; L74-K77 PolarHBondContact N-O 3.24Å; L74-K77 WeakPolarHBondContact O-CB 3.34Å; L74-K77 PolarHBondContact O-N 2.98Å; R75-K77 VanDerWaalsContact C-N 3.28Å; R75-K77 PolarHBondContact O-N 3.5Å; K77-L79 PolarHBondContact O-N 3.27Å; K77-P110 HydrophobicContact CD-CB 3.96Å; K77-P110 HydrophobicContact CG-CB 3.32Å; K77-P110 HydrophobicContact CG-CG 4.17Å; K77-L158 HydrophobicContact CD-CD2 4.29Å; K77-C159 PolarHBondContact NZ-SG 3.03Å
78P86.6Confident86.3Confident109 Ų10938.8 Ų38.871%0.70822%0.216SC*.EExtended strand (participates in β ladder)trans-73.2120170.129.7-31.9000110.2
79L84.9Confident85.3Confident36 Ų3642.3 Ų42.319%0.18823%0.234CC..EExtended strand (participates in β ladder)trans-91.1-10.5176-61179.1000112.6W72 L74 K77 A156W72-L79 HydrophobicContact CD2-CD1 3.77Å; W72-L79 HydrophobicContact CE3-CB 4.45Å; W72-L79 HydrophobicContact CE3-CD1 3.55Å; W72-L79 HydrophobicContact CG-CD1 4.44Å; W72-L79 HydrophobicContact CH2-CD1 3.53Å; W72-L79 HydrophobicContact CZ2-CD1 3.95Å; W72-L79 HydrophobicContact CZ3-CD1 3.4Å; W72-L79 VanDerWaalsContact CZ3-CD1 3.4Å; W72-L79 PolarHBondContact O-N 3.46Å; L74-L79 HydrophobicContact CB-CD1 3.67Å; L74-L79 HydrophobicContact CB-CG 4.26Å; L74-L79 HydrophobicContact CD2-CD1 4.15Å; K77-L79 PolarHBondContact O-N 3.27Å; L79-A156 HydrophobicContact CD1-CB 3.78Å; L79-A156 HydrophobicContact CD2-CB 3.52Å; L79-A156 HydrophobicContact CG-CB 4.32Å
80G88.1Confident84.7Confident37 Ų3747.2 Ų47.238%0.38125%0.253SS..EExtended strand (participates in β ladder)trans90.6-160.7-176.800000112.9D71 W72 F82D71-G80 WeakPolarHBondContact CA-O 3.49Å; W72-G80 PolarHBondContact N-O 3.43Å; G80-F82 PolarHBondContact O-N 3.42Å
81V91Very high84.4Confident81 Ų8148.8 Ų48.849%0.49126%0.263SS..EExtended strand (participates in β ladder)trans-81.2118.3-175.4-176.80000110.2W69 A70 D71 R155W69-V81 HydrophobicContact CB-CG1 4.35Å; A70-V81 WeakPolarHBondContact O-CA 3.44Å; D71-V81 VanDerWaalsContact OD1-CG2 3.28Å; D71-V81 WeakPolarHBondContact OD1-CG2 3.37Å; V81-R155 PolarHBondContact O-NH1 2.94Å
82F88.5Confident84.2Confident4 Ų447.3 Ų47.32%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-110.2144.9176.2-169.9-95.3000111.9W69 A70 W72 G80 F84 E151W69-F82 WeakPolarHBondContact CA-O 3.1Å; A70-F82 PolarHBondContact N-O 3.13Å; A70-F82 PolarHBondContact O-N 3.47Å; W72-F82 HydrophobicContact CB-CB 4.37Å; W72-F82 HydrophobicContact CE3-CB 4.25Å; W72-F82 HydrophobicContact CE3-CD2 4.37Å; W72-F82 HydrophobicContact CE3-CG 4.23Å; G80-F82 PolarHBondContact O-N 3.42Å; F82-F84 HydrophobicContact CB-CE2 4.06Å; F82-F84 HydrophobicContact CB-CZ 4.31Å; F82-F84 HydrophobicContact CD1-CB 4.45Å; F82-F84 AromaticContact CD1-CD1 3.58Å; F82-F84 HydrophobicContact CD1-CD1 3.58Å; F82-F84 AromaticContact CD1-CD2 3.66Å; F82-F84 HydrophobicContact CD1-CD2 3.66Å; F82-F84 AromaticContact CD1-CE1 3.53Å; F82-F84 HydrophobicContact CD1-CE1 3.53Å; F82-F84 AromaticContact CD1-CE2 3.61Å; F82-F84 HydrophobicContact CD1-CE2 3.61Å; F82-F84 AromaticContact CD1-CG 3.65Å; F82-F84 HydrophobicContact CD1-CG 3.65Å; F82-F84 AromaticContact CD1-CZ 3.55Å; F82-F84 HydrophobicContact CD1-CZ 3.55Å; F82-F84 AromaticContact CE1-CD1 3.6Å; F82-F84 HydrophobicContact CE1-CD1 3.6Å; F82-F84 HydrophobicContact CE1-CD2 4.43Å; F82-F84 AromaticContact CE1-CE1 3.76Å; F82-F84 HydrophobicContact CE1-CE1 3.76Å; F82-F84 AromaticContact CE1-CG 3.96Å; F82-F84 HydrophobicContact CE1-CG 3.96Å; F82-F84 HydrophobicContact CE1-CZ 4.25Å; F82-F84 HydrophobicContact CG-CE2 4.28Å; F82-F84 HydrophobicContact CG-CZ 4.24Å; F82-E151 HydrophobicContact CE2-CB 4.14Å; F82-E151 HydrophobicContact CZ-CB 3.94Å; F82-E151 WeakPolarHBondContact CZ-OE2 3.3Å
83L90.8Very high84.3Confident59 Ų5947.5 Ų47.531%0.30926%0.256SS..EExtended strand (participates in β ladder)trans-101.7100.7173.9172.657.1000108.9K67 M68 W69 T85K67-L83 HydrophobicContact CB-CD1 4.01Å; M68-L83 CarbonylContact O-C 3.46Å; M68-L83 WeakPolarHBondContact O-CA 3.46Å; W69-L83 HydrophobicContact CD2-CD1 3.9Å; W69-L83 HydrophobicContact CE3-CD1 4.41Å; W69-L83 HydrophobicContact CG-CD1 4.28Å; W69-L83 HydrophobicContact CH2-CD1 4.35Å; W69-L83 HydrophobicContact CZ2-CD1 3.84Å; L83-T85 PolarHBondContact O-N 3.42Å
84F87.5Confident84.5Confident0 Ų049.5 Ų49.50%027%0.265CS..EExtended strand (participates in β ladder)trans-77.5120.7172.1-63-84.5000109.4K67 M68 A70 W72 F82 E87 L88 W93K67-F84 WeakPolarHBondContact CA-O 3.4Å; M68-F84 HydrophobicContact CB-CB 4.39Å; M68-F84 HydrophobicContact CE-CB 4.33Å; M68-F84 HydrophobicContact CE-CD2 3.42Å; M68-F84 VanDerWaalsContact CE-CD2 3.42Å; M68-F84 HydrophobicContact CE-CE2 3.95Å; M68-F84 HydrophobicContact CE-CG 3.98Å; M68-F84 PolarHBondContact N-O 2.78Å; M68-F84 PolarHBondContact O-N 3.15Å; A70-F84 HydrophobicContact CB-CD2 4.41Å; A70-F84 HydrophobicContact CB-CE2 4.1Å; W72-F84 HydrophobicContact CB-CZ 4.45Å; W72-F84 HydrophobicContact CD2-CZ 4.13Å; W72-F84 HydrophobicContact CE3-CZ 4.37Å; W72-F84 HydrophobicContact CG-CZ 4.16Å; F82-F84 HydrophobicContact CB-CE2 4.06Å; F82-F84 HydrophobicContact CB-CZ 4.31Å; F82-F84 HydrophobicContact CD1-CB 4.45Å; F82-F84 AromaticContact CD1-CD1 3.58Å; F82-F84 HydrophobicContact CD1-CD1 3.58Å; F82-F84 AromaticContact CD1-CD2 3.66Å; F82-F84 HydrophobicContact CD1-CD2 3.66Å; F82-F84 AromaticContact CD1-CE1 3.53Å; F82-F84 HydrophobicContact CD1-CE1 3.53Å; F82-F84 AromaticContact CD1-CE2 3.61Å; F82-F84 HydrophobicContact CD1-CE2 3.61Å; F82-F84 AromaticContact CD1-CG 3.65Å; F82-F84 HydrophobicContact CD1-CG 3.65Å; F82-F84 AromaticContact CD1-CZ 3.55Å; F82-F84 HydrophobicContact CD1-CZ 3.55Å; F82-F84 AromaticContact CE1-CD1 3.6Å; F82-F84 HydrophobicContact CE1-CD1 3.6Å; F82-F84 HydrophobicContact CE1-CD2 4.43Å; F82-F84 AromaticContact CE1-CE1 3.76Å; F82-F84 HydrophobicContact CE1-CE1 3.76Å; F82-F84 AromaticContact CE1-CG 3.96Å; F82-F84 HydrophobicContact CE1-CG 3.96Å; F82-F84 HydrophobicContact CE1-CZ 4.25Å; F82-F84 HydrophobicContact CG-CE2 4.28Å; F82-F84 HydrophobicContact CG-CZ 4.24Å; F84-E87 HydrophobicContact CD1-CB 4.41Å; F84-E87 WeakPolarHBondContact CD1-OE2 3.44Å; F84-E87 WeakPolarHBondContact CE1-OE2 3.44Å; F84-L88 HydrophobicContact CB-CD1 3.88Å; F84-L88 HydrophobicContact CB-CD2 3.51Å; F84-L88 HydrophobicContact CB-CG 3.84Å; F84-L88 HydrophobicContact CD1-CD2 4.36Å; F84-L88 HydrophobicContact CG-CD2 4.12Å; F84-L88 WeakPolarHBondContact O-CD1 2.94Å; F84-W93 HydrophobicContact CE1-CH2 4.46Å
85T84.8Confident84.9Confident62 Ų6251.4 Ų51.438%0.3828%0.275SS..SBendtrans-123.3-62.5175-52.40000111L83L83-T85 PolarHBondContact O-N 3.42Å
86K74.4Confident85.3Confident174 Ų17451.2 Ų51.276%0.75727%0.274SS*.SBendtrans-89.5-21.5-173.4-62.7-179.3-177.9173.30114.2L88K86-L88 PolarHBondContact O-N 3.28Å
87E69.1Low85.8Confident46 Ų4654.9 Ų54.922%0.21528%0.284CS..THydrogen-bonded Turntrans-80.73.3-173.5-60178.2178.800113.7K36 F84K36-E87 IonicContact NZ-OE2 3.66Å; F84-E87 HydrophobicContact CD1-CB 4.41Å; F84-E87 WeakPolarHBondContact CD1-OE2 3.44Å; F84-E87 WeakPolarHBondContact CE1-OE2 3.44Å
88L69.4Low86.2Confident0 Ų059.4 Ų59.40%030%0.304CS..THydrogen-bonded Turntrans-91.6-10.5-168-60.3-176.8000114L18 F19 M68 F84 K86 R90 W93L18-L88 HydrophobicContact CD2-CD1 4.1Å; L18-L88 HydrophobicContact CD2-CD2 3.27Å; L18-L88 HydrophobicContact CD2-CG 4.19Å; F19-L88 HydrophobicContact CE2-CB 4.05Å; F19-L88 HydrophobicContact CE2-CD1 3.4Å; F19-L88 VanDerWaalsContact CE2-CD1 3.4Å; F19-L88 HydrophobicContact CE2-CG 4.33Å; F19-L88 HydrophobicContact CZ-CD1 3.47Å; F19-L88 VanDerWaalsContact CZ-CD1 3.47Å; M68-L88 HydrophobicContact CB-CD1 4.45Å; F84-L88 HydrophobicContact CB-CD1 3.88Å; F84-L88 HydrophobicContact CB-CD2 3.51Å; F84-L88 HydrophobicContact CB-CG 3.84Å; F84-L88 HydrophobicContact CD1-CD2 4.36Å; F84-L88 HydrophobicContact CG-CD2 4.12Å; F84-L88 WeakPolarHBondContact O-CD1 2.94Å; K86-L88 PolarHBondContact O-N 3.28Å; L88-R90 PolarHBondContact O-N 2.88Å; L88-W93 HydrophobicContact CD2-CZ2 3.77Å
89D72.6Confident86.5Confident73 Ų7360.6 Ų60.639%0.3930%0.299SS..  trans-80.25-169.8-59.8-14.3000114Y17 H65Y17-D89 WeakPolarHBondContact CE1-O 3.11Å; H65-D89 IonicContact CE1-OD1 3.84Å; H65-D89 PolarHBondContact CE1-OD1 2.88Å; H65-D89 IonicContact CE1-OD2 3.4Å; H65-D89 IonicContact ND1-OD1 3.85Å; H65-D89 PolarHBondContact ND1-OD1 3.13Å; H65-D89 IonicContact ND1-OD2 2.89Å
90R82.4Confident86.9Confident165 Ų16561.5 Ų61.562%0.62330%0.303SS*.SBendtrans-102.5137.5177.6-71.4-164.7178.3-177.92.2112.8L88 D92 W93L88-R90 PolarHBondContact O-N 2.88Å; R90-D92 PolarHBondContact O-N 2.93Å; R90-W93 VanDerWaalsContact O-CD1 3.29Å
91C86.5Confident87.2Confident33 Ų3360.8 Ų60.822%0.22329%0.289CS..SBendtrans-74.753.8174.7-57.30000113.7A13 G15 Y17A13-C91 CarbonylContact C-O 3.56Å; G15-C91 CarbonylContact C-O 3.46Å; G15-C91 VanDerWaalsContact C-O 3.32Å; G15-C91 VanDerWaalsContact CA-O 3.23Å; G15-C91 WeakPolarHBondContact CA-O 3.36Å; G15-C91 PolarHBondContact N-O 3.4Å; Y17-C91 WeakPolarHBondContact CE1-SG 3.48Å; Y17-C91 WeakPolarHBondContact CE2-SG 3.29Å; Y17-C91 PolarHBondContact OH-SG 2.92Å; Y17-C91 VanDerWaalsContact OH-SG 3.38Å
92D89.9Confident87.2Confident6 Ų662.1 Ų62.13%0.03229%0.294CS..  trans-119.53.1-178-170.841.3000112.8L12 K36 G37 I38 R90 H94L12-D92 VanDerWaalsContact O-CB 3.29Å; L12-D92 WeakPolarHBondContact O-CB 3.49Å; K36-D92 CarbonylContact C-O 3.51Å; K36-D92 WeakPolarHBondContact CA-O 3.15Å; K36-D92 WeakPolarHBondContact CB-OD2 3.35Å; G37-D92 WeakPolarHBondContact CA-OD1 3.38Å; G37-D92 PolarHBondContact N-O 3.08Å; G37-D92 PolarHBondContact N-OD1 3.11Å; G37-D92 VanDerWaalsContact N-OD1 3.07Å; G37-D92 PolarHBondContact N-OD2 3.27Å; I38-D92 WeakPolarHBondContact CG1-OD2 3.46Å; I38-D92 PolarHBondContact N-OD1 3.13Å; I38-D92 PolarHBondContact N-OD2 3.48Å; R90-D92 PolarHBondContact O-N 2.93Å; D92-H94 PolarHBondContact O-CE1 2.74Å; D92-H94 PolarHBondContact O-ND1 2.7Å
93W92.4Very high87.3Confident4 Ų464.8 Ų64.82%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-84.7141.4-173.2-64.594.9000112.1K16 L18 I21 V34 K36 W39 F84 L88 R90K16-W93 PolarHBondContact N-O 2.87Å; K16-W93 VanDerWaalsContact N-O 3.07Å; K16-W93 WeakPolarHBondContact O-CB 3.1Å; K16-W93 PolarHBondContact O-N 3.07Å; L18-W93 HydrophobicContact CB-CB 4.32Å; L18-W93 HydrophobicContact CB-CD2 4.2Å; L18-W93 HydrophobicContact CB-CG 3.81Å; L18-W93 HydrophobicContact CD1-CB 4.23Å; L18-W93 HydrophobicContact CD1-CD2 3.87Å; L18-W93 HydrophobicContact CD1-CE3 3.99Å; L18-W93 HydrophobicContact CD1-CG 4.01Å; L18-W93 HydrophobicContact CD2-CZ2 4.5Å; L18-W93 HydrophobicContact CG-CD2 4.45Å; L18-W93 HydrophobicContact CG-CG 4.46Å; I21-W93 HydrophobicContact CD1-CB 4.01Å; I21-W93 WeakPolarHBondContact CD1-O 3.35Å; V34-W93 HydrophobicContact CB-CE3 4.39Å; V34-W93 HydrophobicContact CG1-CB 4.22Å; V34-W93 HydrophobicContact CG1-CD2 4.46Å; V34-W93 HydrophobicContact CG1-CE3 3.67Å; V34-W93 HydrophobicContact CG1-CZ3 4.41Å; K36-W93 HydrophobicContact CD-CH2 4.3Å; K36-W93 HydrophobicContact CD-CZ2 4.3Å; K36-W93 VanDerWaalsContact CE-CH2 3.41Å; K36-W93 HydrophobicContact CG-CD2 4.14Å; K36-W93 HydrophobicContact CG-CE3 3.89Å; K36-W93 HydrophobicContact CG-CH2 3.94Å; K36-W93 HydrophobicContact CG-CZ2 4.13Å; K36-W93 HydrophobicContact CG-CZ3 3.8Å; W39-W93 HydrophobicContact CH2-CH2 4.41Å; W39-W93 HydrophobicContact CH2-CZ3 4.39Å; W39-W93 HydrophobicContact CZ3-CZ3 4.41Å; F84-W93 HydrophobicContact CE1-CH2 4.46Å; L88-W93 HydrophobicContact CD2-CZ2 3.77Å; R90-W93 VanDerWaalsContact O-CD1 3.29Å
94H94Very high87.1Confident58 Ų5862.7 Ų62.727%0.26930%0.297SS..EExtended strand (participates in β ladder)trans-133.6129.6-179.3-65.475.1000110G15 V34 T35 D92G15-H94 VanDerWaalsContact CA-CE1 3.49Å; G15-H94 WeakPolarHBondContact CA-CE1 3.45Å; V34-H94 WeakPolarHBondContact CA-O 3.32Å; V34-H94 WeakPolarHBondContact CG1-O 3.33Å; T35-H94 HydrophobicContact CG2-CB 3.99Å; T35-H94 PolarHBondContact N-O 2.92Å; T35-H94 PolarHBondContact O-N 3.19Å; D92-H94 PolarHBondContact O-CE1 2.74Å; D92-H94 PolarHBondContact O-ND1 2.7Å
95L95.4Very high87.1Confident45 Ų4568.1 Ų68.124%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-77.3127.6172.4-174.663000109.9I21 L25 R32 V34I21-L95 HydrophobicContact CG2-CB 3.74Å; I21-L95 HydrophobicContact CG2-CD1 4.08Å; I21-L95 HydrophobicContact CG2-CD2 4.19Å; I21-L95 HydrophobicContact CG2-CG 4.22Å; L25-L95 HydrophobicContact CD1-CD1 3.74Å; L25-L95 HydrophobicContact CD1-CD2 3.87Å; L25-L95 HydrophobicContact CD1-CG 4.48Å; L25-L95 HydrophobicContact CD2-CD2 3.94Å; L25-L95 HydrophobicContact CG-CD2 4.38Å; R32-L95 HydrophobicContact CB-CD1 4.25Å; R32-L95 VanDerWaalsContact NH2-CG 3.33Å; V34-L95 HydrophobicContact CG2-CD1 4.33Å
96I94.8Very high87.2Confident0 Ų072.6 Ų72.60%033%0.33CS..PPolyproline II helixtrans-79.5130.7174.3-51.4-174.3000108.7R32 M33 T35 E100 E101 F104R32-I96 VanDerWaalsContact CZ-O 3.29Å; R32-I96 PolarHBondContact NH1-O 2.95Å; R32-I96 PolarHBondContact NH2-O 2.95Å; M33-I96 HydrophobicContact CB-CB 4.09Å; M33-I96 HydrophobicContact CB-CD1 3.88Å; M33-I96 HydrophobicContact CB-CG1 4.2Å; M33-I96 PolarHBondContact O-N 2.61Å; T35-I96 HydrophobicContact CG2-CD1 3.98Å; T35-I96 HydrophobicContact CG2-CG1 3.79Å; I96-E100 HydrophobicContact CG2-CB 3.84Å; I96-E101 HydrophobicContact CB-CG 4.43Å; I96-E101 HydrophobicContact CG2-CG 4.01Å; I96-F104 HydrophobicContact CD1-CD1 3.58Å; I96-F104 HydrophobicContact CD1-CD2 3.97Å; I96-F104 HydrophobicContact CD1-CE1 3.72Å; I96-F104 HydrophobicContact CD1-CE2 4.08Å; I96-F104 HydrophobicContact CD1-CG 3.76Å; I96-F104 HydrophobicContact CD1-CZ 3.99Å; I96-F104 HydrophobicContact CG2-CD2 3.81Å; I96-F104 HydrophobicContact CG2-CE2 3.95Å; I96-F104 HydrophobicContact CG2-CG 4.49Å
97H94.6Very high87.3Confident104 Ų10470.8 Ų70.848%0.48134%0.336SS..PPolyproline II helixtrans-71.4146.2176.3-71.6-76.2000110.9H99 E100 E101H97-H99 WeakPolarHBondContact CB-CE1 3.24Å; H97-H99 PolarHBondContact O-N 3.1Å; H97-E100 HydrophobicContact CB-CG 4.29Å; H97-E100 WeakPolarHBondContact O-CB 3.46Å; H97-E100 PolarHBondContact O-N 3.06Å; H97-E101 PolarHBondContact O-N 3.08Å; H97-E101 VanDerWaalsContact O-N 3.08Å
98K93.3Very high87.7Confident152 Ų15270.5 Ų70.566%0.66134%0.337SS*.THydrogen-bonded Turntrans-54.6-32.8-173.9-67.8-171179.3-176.40114.5
99H93.4Very high88.1Confident133 Ų13379 Ų7962%0.61638%0.377SS*.THydrogen-bonded Turntrans-75.1-31179.260.6-87.4000112.3H97H97-H99 WeakPolarHBondContact CB-CE1 3.24Å; H97-H99 PolarHBondContact O-N 3.1Å
100E93Very high88.1Confident56 Ų5678.5 Ų78.526%0.26238%0.378SS..THydrogen-bonded Turntrans-78.7-24.8176.1-58.3178.9175.300112R40 I96 H97 N102 D103 F104R40-E100 IonicContact NH2-OE2 3.72Å; I96-E100 HydrophobicContact CG2-CB 3.84Å; H97-E100 HydrophobicContact CB-CG 4.29Å; H97-E100 WeakPolarHBondContact O-CB 3.46Å; H97-E100 PolarHBondContact O-N 3.06Å; E100-N102 PolarHBondContact O-N 2.93Å; E100-D103 WeakPolarHBondContact O-CA 3.39Å; E100-D103 WeakPolarHBondContact O-CB 3.36Å; E100-D103 PolarHBondContact O-N 3.49Å; E100-F104 WeakPolarHBondContact O-CD2 3.38Å; E100-F104 PolarHBondContact O-N 3Å
101E93.2Very high87.5Confident22 Ų2271.6 Ų71.610%0.10335%0.354CS..Hα-helixtrans-53.4-31.9-179.6-71.1179.8-170.800112.7R32 M33 I96 H97 D103 F104 K105R32-E101 IonicContact CZ-OE1 3.11Å; R32-E101 IonicContact NH1-OE1 3.68Å; R32-E101 PolarHBondContact NH1-OE1 3.07Å; M33-E101 HydrophobicContact CB-CG 4.29Å; M33-E101 HydrophobicContact CG-CG 4.15Å; M33-E101 HydrophobicContact SD-CB 3.97Å; M33-E101 HydrophobicContact SD-CG 3.93Å; I96-E101 HydrophobicContact CB-CG 4.43Å; I96-E101 HydrophobicContact CG2-CG 4.01Å; H97-E101 PolarHBondContact O-N 3.08Å; H97-E101 VanDerWaalsContact O-N 3.08Å; E101-D103 VanDerWaalsContact C-N 3.31Å; E101-D103 PolarHBondContact O-N 3.07Å; E101-F104 PolarHBondContact O-N 3.1Å; E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 3.03Å; E101-K105 VanDerWaalsContact O-N 3.12Å
102N91.9Very high86.7Confident108 Ų10877.2 Ų77.258%0.57838%0.375SS*.Hα-helixtrans-68.3-29.6177-67.7-26.5000112.9E100E100-N102 PolarHBondContact O-N 2.93Å
103D90.1Very high85.6Confident61 Ų6177.2 Ų77.233%0.32638%0.375SS..Hα-helixtrans-73.1-39.1176.2-63.3-37.9000111.1E100 E101 K105 R106E100-D103 WeakPolarHBondContact O-CA 3.39Å; E100-D103 WeakPolarHBondContact O-CB 3.36Å; E100-D103 PolarHBondContact O-N 3.49Å; E101-D103 VanDerWaalsContact C-N 3.31Å; E101-D103 PolarHBondContact O-N 3.07Å; D103-K105 VanDerWaalsContact C-N 3.33Å; D103-K105 PolarHBondContact O-N 2.86Å; D103-R106 WeakPolarHBondContact O-CB 3.05Å; D103-R106 WeakPolarHBondContact O-CG 3.49Å; D103-R106 PolarHBondContact O-N 2.82Å; D103-R106 IonicContact OD1-CZ 3.13Å; D103-R106 IonicContact OD1-NE 3.48Å; D103-R106 PolarHBondContact OD1-NE 3.08Å; D103-R106 IonicContact OD1-NH1 3.91Å; D103-R106 IonicContact OD1-NH2 2.63Å; D103-R106 PolarHBondContact OD1-NH2 3.02Å
104F87.5Confident84.6Confident15 Ų1583.1 Ų83.17%0.06640%0.397CS..Hα-helixtrans-66.9-33.2176.4-80.2-99.1000112.7F47 Y49 I96 E100 E101 R106F47-F104 HydrophobicContact CB-CD1 3.59Å; F47-F104 HydrophobicContact CB-CE1 3.98Å; F47-F104 HydrophobicContact CB-CG 4.36Å; F47-F104 AromaticContact CD1-CD1 3.79Å; F47-F104 HydrophobicContact CD1-CD1 3.79Å; F47-F104 AromaticContact CD1-CE1 3.43Å; F47-F104 HydrophobicContact CD1-CE1 3.43Å; F47-F104 VanDerWaalsContact CD1-CE1 3.43Å; F47-F104 HydrophobicContact CD1-CG 4.42Å; F47-F104 AromaticContact CD1-CZ 3.81Å; F47-F104 HydrophobicContact CD1-CZ 3.81Å; F47-F104 HydrophobicContact CE1-CE1 4.2Å; F47-F104 HydrophobicContact CE1-CZ 4.12Å; F47-F104 AromaticContact CG-CD1 3.77Å; F47-F104 HydrophobicContact CG-CD1 3.77Å; F47-F104 AromaticContact CG-CE1 3.92Å; F47-F104 HydrophobicContact CG-CE1 3.92Å; F47-F104 HydrophobicContact CG-CG 4.28Å; Y49-F104 HydrophobicContact CD1-CB 4.11Å; Y49-F104 HydrophobicContact CD1-CD1 4.03Å; Y49-F104 HydrophobicContact CE1-CB 4.27Å; Y49-F104 WeakPolarHBondContact CE1-O 3.49Å; Y49-F104 HydrophobicContact CG-CD1 4.49Å; I96-F104 HydrophobicContact CD1-CD1 3.58Å; I96-F104 HydrophobicContact CD1-CD2 3.97Å; I96-F104 HydrophobicContact CD1-CE1 3.72Å; I96-F104 HydrophobicContact CD1-CE2 4.08Å; I96-F104 HydrophobicContact CD1-CG 3.76Å; I96-F104 HydrophobicContact CD1-CZ 3.99Å; I96-F104 HydrophobicContact CG2-CD2 3.81Å; I96-F104 HydrophobicContact CG2-CE2 3.95Å; I96-F104 HydrophobicContact CG2-CG 4.49Å; E100-F104 WeakPolarHBondContact O-CD2 3.38Å; E100-F104 PolarHBondContact O-N 3Å; E101-F104 PolarHBondContact O-N 3.1Å; F104-R106 VanDerWaalsContact C-N 3.26Å; F104-R106 PolarHBondContact O-N 2.81Å
105K87.1Confident83.6Confident113 Ų11381.4 Ų81.449%0.49139%0.39SS..THydrogen-bonded Turntrans-76.2-6.5177.8-73.5177.4-173.6173.90114.3M33 E101 D103M33-K105 HydrophobicContact CE-CD 4.03Å; M33-K105 HydrophobicContact CE-CG 3.72Å; E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 3.03Å; E101-K105 VanDerWaalsContact O-N 3.12Å; D103-K105 VanDerWaalsContact C-N 3.33Å; D103-K105 PolarHBondContact O-N 2.86Å
106R85.7Confident82.6Confident156 Ų15680.3 Ų80.359%0.58939%0.385SS*.SBendtrans-58.7136179.6-70.1-179.8-174.9172.14.8109.1D103 F104 V108D103-R106 WeakPolarHBondContact O-CB 3.05Å; D103-R106 WeakPolarHBondContact O-CG 3.49Å; D103-R106 PolarHBondContact O-N 2.82Å; D103-R106 IonicContact OD1-CZ 3.13Å; D103-R106 IonicContact OD1-NE 3.48Å; D103-R106 PolarHBondContact OD1-NE 3.08Å; D103-R106 IonicContact OD1-NH1 3.91Å; D103-R106 IonicContact OD1-NH2 2.63Å; D103-R106 PolarHBondContact OD1-NH2 3.02Å; F104-R106 VanDerWaalsContact C-N 3.26Å; F104-R106 PolarHBondContact O-N 2.81Å; R106-V108 PolarHBondContact O-N 2.8Å
107P76.9Confident81.7Confident136 Ų13681.9 Ų81.988%0.88340%0.398SS*.  trans-61.2117.5176.325.2-32.2000108.5
108V78.7Confident80.9Confident40 Ų4083.1 Ų83.124%0.24240%0.402CS..  trans-106.5130.5172.2-179.70000106.7E46 R106 P110E46-V108 HydrophobicContact CG-CG1 4.29Å; R106-V108 PolarHBondContact O-N 2.8Å; V108-P110 WeakPolarHBondContact O-CD 3.38Å
109E76.1Confident80.4Confident179 Ų17977.4 Ų77.484%0.83638%0.378SS*.PPolyproline II helixtrans-63122.8171.1-71.6-175.1-17800108.6
110P72.8Confident80Confident62 Ų6271.8 Ų71.840%0.40335%0.354SS..PPolyproline II helixtrans-69.3141.2-177.129.1-35.1000110.4K77 V108 K112K77-P110 HydrophobicContact CD-CB 3.96Å; K77-P110 HydrophobicContact CG-CB 3.32Å; K77-P110 HydrophobicContact CG-CG 4.17Å; V108-P110 WeakPolarHBondContact O-CD 3.38Å; P110-K112 PolarHBondContact O-N 2.81Å
111P70.7Confident79.6Confident20 Ų2069.6 Ų69.613%0.1334%0.344CS..PPolyproline II helixtrans-63132.2179.529-37.8000110E46 R75 L113 C159E46-P111 WeakPolarHBondContact OE2-CG 3.43Å; R75-P111 HydrophobicContact CB-CG 4.06Å; R75-P111 VanDerWaalsContact CZ-CG 3.46Å; R75-P111 WeakPolarHBondContact O-CD 3.16Å; P111-L113 PolarHBondContact O-N 3.04Å; P111-C159 PolarHBondContact O-SG 3.03Å
112K69.8Low79.2Confident152 Ų15271.1 Ų71.166%0.66136%0.356SS*.  trans-86.382.8168-62179.8-173.8176.90107.5P110P110-K112 PolarHBondContact O-N 2.81Å
113L67.2Low78.9Confident5 Ų571 Ų713%0.02636%0.361CS..  trans-66.3145.4166.1-56.6154.8000107.6P111 C159 D189P111-L113 PolarHBondContact O-N 3.04Å; L113-C159 CarbonylContact C-O 3.57Å; L113-C159 HydrophobicContact CB-CB 3.51Å; L113-C159 HydrophobicContact CD1-CB 4.28Å; L113-C159 HydrophobicContact CG-CB 4.26Å; L113-C159 CarbonylContact O-C 3.6Å; L113-C159 VanDerWaalsContact O-CB 3.24Å; L113-C159 WeakPolarHBondContact O-CB 3.29Å; L113-D189 HydrophobicContact CD2-CB 4.2Å; L113-D189 VanDerWaalsContact CD2-OD2 3.28Å; L113-D189 WeakPolarHBondContact CD2-OD2 3.27Å
114R70.3Confident78.7Confident128 Ų12873.9 Ų73.948%0.48338%0.376SS..BIsolated β-bridgetrans-117.898171.6-61.4175174-176.2-4.9107.8D186R114-D186 WeakPolarHBondContact CB-OD2 3.44Å; R114-D186 PolarHBondContact N-OD2 3.14Å; R114-D186 VanDerWaalsContact N-OD2 3.08Å
115M72.8Confident78.6Confident23 Ų2376.9 Ų76.911%0.11339%0.39CS..  trans-104.4135.2176.9-63.9-65-9100109.1A117 C159 F160 F182M115-A117 PolarHBondContact O-N 3.27Å; M115-C159 PolarHBondContact N-O 3.21Å; M115-F160 HydrophobicContact CB-CD1 3.55Å; M115-F160 HydrophobicContact CB-CE1 3.47Å; M115-F160 VanDerWaalsContact CB-CE1 3.47Å; M115-F160 HydrophobicContact CB-CZ 4.49Å; M115-F160 HydrophobicContact CG-CE1 4.34Å; M115-F182 HydrophobicContact CE-CD1 3.99Å; M115-F182 HydrophobicContact CE-CE1 3.4Å; M115-F182 VanDerWaalsContact CE-CE1 3.4Å; M115-F182 HydrophobicContact CE-CZ 4.39Å; M115-F182 HydrophobicContact SD-CD1 3.8Å; M115-F182 HydrophobicContact SD-CE1 3.71Å
116P75.1Confident78.5Confident22 Ų2276 Ų7614%0.14338%0.384CS..  trans-62.5136.3175.228.5-35.4000109.1K118 N145 C181 F182P116-K118 PolarHBondContact O-N 3.35Å; P116-N145 WeakPolarHBondContact O-CB 3.47Å; P116-N145 PolarHBondContact O-ND2 3.32Å; P116-C181 HydrophobicContact CB-CB 4.35Å; P116-C181 HydrophobicContact CG-CB 4.07Å; P116-F182 HydrophobicContact CG-CD1 4.04Å; P116-F182 HydrophobicContact CG-CE1 3.67Å; P116-F182 HydrophobicContact CG-CE2 4.24Å; P116-F182 HydrophobicContact CG-CG 4.48Å; P116-F182 HydrophobicContact CG-CZ 3.79Å
117A75.1Confident78.5Confident33 Ų3375.5 Ų75.527%0.27338%0.383SS..SBendtrans-69.8-20.317800000112.5M115 R144 N145 E162M115-A117 PolarHBondContact O-N 3.27Å; A117-R144 CarbonylContact O-C 3.55Å; A117-R144 WeakPolarHBondContact O-CA 3.34Å; A117-N145 PolarHBondContact O-N 3.4Å; A117-E162 HydrophobicContact CB-CG 4.35Å
118K78.9Confident79.1Confident130 Ų13072.6 Ų72.657%0.56536%0.359SS*.EExtended strand (participates in β ladder)trans-134.4143.2-178.3-64.1-178.7-172.5170.70110.9P116 E142 I143P116-K118 PolarHBondContact O-N 3.35Å; K118-E142 HydrophobicContact CB-CB 4.17Å; K118-E142 HydrophobicContact CD-CB 4.47Å; K118-E142 WeakPolarHBondContact CD-OE2 3.22Å; K118-I143 CarbonylContact C-O 3.53Å; K118-I143 VanDerWaalsContact CA-O 3.25Å; K118-I143 WeakPolarHBondContact CA-O 3.48Å
119I82.7Confident79.4Confident31 Ų3172.5 Ų72.516%0.15936%0.356CS..EExtended strand (participates in β ladder)trans-123.7144176.7-67.4166.9000108.2L121 E142 I143 N145 V178 F182I119-L121 PolarHBondContact O-N 2.67Å; I119-E142 CarbonylContact O-C 3.51Å; I119-E142 WeakPolarHBondContact O-CA 3.34Å; I119-I143 PolarHBondContact N-O 3.43Å; I119-I143 PolarHBondContact O-N 3.28Å; I119-N145 HydrophobicContact CD1-CB 3.68Å; I119-N145 VanDerWaalsContact CD1-OD1 3.27Å; I119-N145 WeakPolarHBondContact CD1-OD1 3.25Å; I119-N145 HydrophobicContact CG1-CB 3.87Å; I119-V178 HydrophobicContact CG2-CB 4.14Å; I119-V178 HydrophobicContact CG2-CG1 3.68Å; I119-V178 HydrophobicContact CG2-CG2 3.61Å; I119-F182 HydrophobicContact CD1-CE2 4.15Å; I119-F182 HydrophobicContact CD1-CZ 3.78Å; I119-F182 HydrophobicContact CG1-CE2 4.26Å; I119-F182 HydrophobicContact CG1-CZ 4.12Å
120P83.9Confident79.9Confident15 Ų1570 Ų7010%0.09735%0.345CS..EExtended strand (participates in β ladder)trans-56.2138.8170.721.7-33.6000111.7V178P120-V178 HydrophobicContact CG-CG2 3.92Å
121L84.2Confident80.7Confident10 Ų1071.6 Ų71.65%0.05235%0.353CS..  trans-44.5131.4174.3-95.5167.3000112.2I119 E125 R126 V139 P140 K141 I143I119-L121 PolarHBondContact O-N 2.67Å; L121-E125 HydrophobicContact CD2-CB 3.88Å; L121-E125 WeakPolarHBondContact CD2-OE2 3.23Å; L121-R126 HydrophobicContact CB-CG 3.73Å; L121-R126 HydrophobicContact CD1-CG 4.28Å; L121-R126 PolarHBondContact O-NE 3.18Å; L121-R126 VanDerWaalsContact O-NE 3.08Å; L121-V139 HydrophobicContact CD1-CG1 4.17Å; L121-P140 WeakPolarHBondContact CD1-O 3.27Å; L121-K141 PolarHBondContact N-O 3.27Å; L121-I143 HydrophobicContact CD2-CD1 3.38Å; L121-I143 HydrophobicContact CD2-CG1 3.87Å; L121-I143 HydrophobicContact CG-CD1 4.14Å; L121-I143 HydrophobicContact CG-CG1 4.19Å
122P85.2Confident81.6Confident54 Ų5479 Ų7935%0.35138%0.378SS..  trans-51.9144.2172-27.133.6000112.3L124 E125 R126P122-L124 PolarHBondContact O-N 3.41Å; P122-L124 VanDerWaalsContact O-N 3.16Å; P122-E125 HydrophobicContact CB-CG 4.39Å; P122-E125 WeakPolarHBondContact CD-OE2 3.32Å; P122-E125 HydrophobicContact CG-CG 4.49Å; P122-E125 PolarHBondContact O-N 3.32Å; P122-E125 VanDerWaalsContact O-N 3.12Å; P122-R126 PolarHBondContact O-N 2.85Å; P122-R126 VanDerWaalsContact O-N 3.15Å
123P85.5Confident82.1Confident106 Ų10674.8 Ų74.869%0.68838%0.378SS*.Hα-helixtrans-56-35.6-178.5-25.833.6000113.9Y127P123-Y127 PolarHBondContact O-N 3.19Å
124L86.6Confident82.7Confident121 Ų12178.3 Ų78.363%0.63439%0.394SS*.Hα-helixtrans-68.9-40.2179.7-177.6134.9000112.3P122 Y127 L128P122-L124 PolarHBondContact O-N 3.41Å; P122-L124 VanDerWaalsContact O-N 3.16Å; L124-Y127 WeakPolarHBondContact O-CB 3.08Å; L124-Y127 PolarHBondContact O-N 3.34Å; L124-L128 HydrophobicContact CD2-CD1 3.68Å; L124-L128 HydrophobicContact CD2-CG 4.28Å; L124-L128 WeakPolarHBondContact O-CG 3.24Å; L124-L128 PolarHBondContact O-N 2.9Å
125E85.9Confident83.1Confident78 Ų7876.6 Ų76.636%0.36440%0.395SS..Hα-helixtrans-67.2-40.5176.8-68.7-174163.400111.2L121 P122 Y127 L128 Q129 I143L121-E125 HydrophobicContact CD2-CB 3.88Å; L121-E125 WeakPolarHBondContact CD2-OE2 3.23Å; P122-E125 HydrophobicContact CB-CG 4.39Å; P122-E125 WeakPolarHBondContact CD-OE2 3.32Å; P122-E125 HydrophobicContact CG-CG 4.49Å; P122-E125 PolarHBondContact O-N 3.32Å; P122-E125 VanDerWaalsContact O-N 3.12Å; E125-Y127 VanDerWaalsContact C-N 3.26Å; E125-Y127 PolarHBondContact O-N 3.38Å; E125-L128 PolarHBondContact O-N 3.17Å; E125-Q129 VanDerWaalsContact O-CG 3.23Å; E125-Q129 WeakPolarHBondContact O-CG 3.38Å; E125-Q129 PolarHBondContact O-N 3.02Å; E125-I143 WeakPolarHBondContact OE2-CD1 3.2Å
126R84.6Confident83Confident96 Ų9680.2 Ų80.236%0.36242%0.418SS..Hα-helixtrans-56.3-42.4171.6-65.3-179.1177.9172.9-0.9111.7L121 P122 Q130L121-R126 HydrophobicContact CB-CG 3.73Å; L121-R126 HydrophobicContact CD1-CG 4.28Å; L121-R126 PolarHBondContact O-NE 3.18Å; L121-R126 VanDerWaalsContact O-NE 3.08Å; P122-R126 PolarHBondContact O-N 2.85Å; P122-R126 VanDerWaalsContact O-N 3.15Å; R126-Q130 WeakPolarHBondContact O-CG 3.34Å; R126-Q130 PolarHBondContact O-N 3Å
127Y86Confident83.1Confident145 Ų14586.4 Ų86.457%0.56945%0.45SS*.Hα-helixtrans-67-44.9177.3179.8-100.3000112.2P123 L124 E125 Q129 Q130 V131P123-Y127 PolarHBondContact O-N 3.19Å; L124-Y127 WeakPolarHBondContact O-CB 3.08Å; L124-Y127 PolarHBondContact O-N 3.34Å; E125-Y127 VanDerWaalsContact C-N 3.26Å; E125-Y127 PolarHBondContact O-N 3.38Å; Y127-Q129 VanDerWaalsContact C-N 3.27Å; Y127-Q129 PolarHBondContact O-N 2.93Å; Y127-Q130 WeakPolarHBondContact O-CB 3.29Å; Y127-Q130 PolarHBondContact O-N 3.5Å; Y127-Q130 VanDerWaalsContact O-N 3.15Å; Y127-V131 HydrophobicContact CD1-CG2 4.12Å; Y127-V131 HydrophobicContact CE1-CG2 3.67Å; Y127-V131 HydrophobicContact CE2-CG2 4.33Å; Y127-V131 WeakPolarHBondContact O-CG2 3.26Å; Y127-V131 PolarHBondContact O-N 3.47Å
128L89.3Confident83.1Confident75 Ų7592.9 Ų92.939%0.39347%0.472SS..Hα-helixtrans-60.8-36.2177.6-72.8176.6000112.4L124 E125 V131 R132L124-L128 HydrophobicContact CD2-CD1 3.68Å; L124-L128 HydrophobicContact CD2-CG 4.28Å; L124-L128 WeakPolarHBondContact O-CG 3.24Å; L124-L128 PolarHBondContact O-N 2.9Å; E125-L128 PolarHBondContact O-N 3.17Å; L128-V131 PolarHBondContact O-N 3.44Å; L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 VanDerWaalsContact O-CG 3.27Å; L128-R132 WeakPolarHBondContact O-CG 3.46Å; L128-R132 PolarHBondContact O-N 3.38Å
129Q85.8Confident82.8Confident38 Ų3887.8 Ų87.818%0.17845%0.451CS..Hα-helixtrans-66-40.9175.3-69.6162.4-10.900112E125 Y127 R132 G133 E134 V139E125-Q129 VanDerWaalsContact O-CG 3.23Å; E125-Q129 WeakPolarHBondContact O-CG 3.38Å; E125-Q129 PolarHBondContact O-N 3.02Å; Y127-Q129 VanDerWaalsContact C-N 3.27Å; Y127-Q129 PolarHBondContact O-N 2.93Å; Q129-R132 PolarHBondContact O-N 2.93Å; Q129-G133 PolarHBondContact O-N 2.74Å; Q129-E134 PolarHBondContact O-N 2.99Å; Q129-E134 VanDerWaalsContact O-N 3.16Å; Q129-V139 VanDerWaalsContact CD-CG1 3.4Å; Q129-V139 HydrophobicContact CG-CG1 4.38Å
130Q85.9Confident82.7Confident127 Ų12790.4 Ų90.459%0.59347%0.47SS*.Hα-helixtrans-61.3-44173.4-70.21731.500111.5R126 Y127 R132 G133R126-Q130 WeakPolarHBondContact O-CG 3.34Å; R126-Q130 PolarHBondContact O-N 3Å; Y127-Q130 WeakPolarHBondContact O-CB 3.29Å; Y127-Q130 PolarHBondContact O-N 3.5Å; Y127-Q130 VanDerWaalsContact O-N 3.15Å; Q130-R132 VanDerWaalsContact C-N 3.3Å; Q130-R132 PolarHBondContact O-N 3.3Å; Q130-G133 PolarHBondContact O-N 2.66Å; Q130-G133 VanDerWaalsContact O-N 3.12Å
131V89.1Confident82.5Confident95 Ų9596.9 Ų96.958%0.57650%0.497SS*.Hα-helixtrans-63.5-36177.11730000111.8Y127 L128 G133Y127-V131 HydrophobicContact CD1-CG2 4.12Å; Y127-V131 HydrophobicContact CE1-CG2 3.67Å; Y127-V131 HydrophobicContact CE2-CG2 4.33Å; Y127-V131 WeakPolarHBondContact O-CG2 3.26Å; Y127-V131 PolarHBondContact O-N 3.47Å; L128-V131 PolarHBondContact O-N 3.44Å; V131-G133 PolarHBondContact O-N 2.81Å
132R89.3Confident82.4Confident176 Ų176100.8 Ų100.866%0.66452%0.515SS*.Hα-helixtrans-73.5-10.6176.2-72.7172.8-177.8-177.82.1113.8L128 Q129 Q130 E134L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 VanDerWaalsContact O-CG 3.27Å; L128-R132 WeakPolarHBondContact O-CG 3.46Å; L128-R132 PolarHBondContact O-N 3.38Å; Q129-R132 PolarHBondContact O-N 2.93Å; Q130-R132 VanDerWaalsContact C-N 3.3Å; Q130-R132 PolarHBondContact O-N 3.3Å; R132-E134 VanDerWaalsContact C-N 3.31Å; R132-E134 HydrophobicContact CB-CG 4.07Å; R132-E134 WeakPolarHBondContact CD-OE1 3.05Å; R132-E134 IonicContact NH1-OE1 2.71Å
133G81.8Confident82.2Confident63 Ų63101.7 Ų101.765%0.64952%0.516SS*.THydrogen-bonded Turntrans70.626.2-17700000113.3Q129 Q130 V131Q129-G133 PolarHBondContact O-N 2.74Å; Q130-G133 PolarHBondContact O-N 2.66Å; Q130-G133 VanDerWaalsContact O-N 3.12Å; V131-G133 PolarHBondContact O-N 2.81Å
134E78.8Confident81.8Confident78 Ų78105 Ų10536%0.36452%0.515SS..  trans-71137.1175.8-67.7175.1-162.300110.2Q129 R132 T136 V139Q129-E134 PolarHBondContact O-N 2.99Å; Q129-E134 VanDerWaalsContact O-N 3.16Å; R132-E134 VanDerWaalsContact C-N 3.31Å; R132-E134 HydrophobicContact CB-CG 4.07Å; R132-E134 WeakPolarHBondContact CD-OE1 3.05Å; R132-E134 IonicContact NH1-OE1 2.71Å; E134-T136 PolarHBondContact O-N 3.06Å; E134-V139 HydrophobicContact CB-CG2 3.96Å
135D78.5Confident81.2Confident93 Ų93100.3 Ų100.350%0.49749%0.491SS..  trans-59.7112.9176.7-70.5-36.5000109.8N137 K138 V139D135-N137 PolarHBondContact O-N 2.93Å; D135-K138 HydrophobicContact CB-CB 4.19Å; D135-K138 HydrophobicContact CB-CD 4Å; D135-K138 HydrophobicContact CB-CG 3.99Å; D135-K138 PolarHBondContact O-N 2.94Å; D135-K138 WeakPolarHBondContact OD2-CD 3.47Å; D135-K138 VanDerWaalsContact OD2-CE 3.25Å; D135-K138 WeakPolarHBondContact OD2-CE 3.38Å; D135-K138 IonicContact OD2-NZ 3.93Å; D135-K138 PolarHBondContact OD2-NZ 2.77Å; D135-V139 PolarHBondContact O-N 2.61Å
136T70.7Confident80.3Confident99 Ų9998.4 Ų98.461%0.60749%0.485SS*.THydrogen-bonded Turntrans-53.5-21.3179.553.10000114.3E134E134-T136 PolarHBondContact O-N 3.06Å
137N76.7Confident79.2Confident151 Ų15195.7 Ų95.781%0.80748%0.48SS*.THydrogen-bonded Turntrans-82.7-24176.8-68.2-22.1000114.2D135D135-N137 PolarHBondContact O-N 2.93Å
138K76.3Confident77.8Confident170 Ų17093.4 Ų93.474%0.73948%0.478SS*.THydrogen-bonded Turntrans-90.1-20.8-178.7-69.7-179.6-177.3153.50112.8D135D135-K138 HydrophobicContact CB-CB 4.19Å; D135-K138 HydrophobicContact CB-CD 4Å; D135-K138 HydrophobicContact CB-CG 3.99Å; D135-K138 PolarHBondContact O-N 2.94Å; D135-K138 WeakPolarHBondContact OD2-CD 3.47Å; D135-K138 VanDerWaalsContact OD2-CE 3.25Å; D135-K138 WeakPolarHBondContact OD2-CE 3.38Å; D135-K138 IonicContact OD2-NZ 3.93Å; D135-K138 PolarHBondContact OD2-NZ 2.77Å
139V73.1Confident76.2Confident22 Ų2297.7 Ų97.713%0.13350%0.5CS..SBendtrans-80.1135.8-176.5-176.80000110.3L121 Q129 E134 D135 K141L121-V139 HydrophobicContact CD1-CG1 4.17Å; Q129-V139 VanDerWaalsContact CD-CG1 3.4Å; Q129-V139 HydrophobicContact CG-CG1 4.38Å; E134-V139 HydrophobicContact CB-CG2 3.96Å; D135-V139 PolarHBondContact O-N 2.61Å; V139-K141 PolarHBondContact O-N 2.91Å
140P78.8Confident74.9Confident86 Ų8699.6 Ų99.656%0.55851%0.511SS*.  trans-59.2130.4173.125.4-35.4000110.4L121 E142L121-P140 WeakPolarHBondContact CD1-O 3.27Å; P140-E142 PolarHBondContact O-N 3.44Å
141K80.9Confident73.8Confident152 Ų15298.1 Ų98.166%0.66150%0.504SS*.SBendtrans-76.5-15.8179-66179-178.1173.90113.3L121 V139L121-K141 PolarHBondContact N-O 3.27Å; V139-K141 PolarHBondContact O-N 2.91Å
142E82.4Confident72.3Confident92 Ų9294.6 Ų94.643%0.4348%0.482SS..EExtended strand (participates in β ladder)trans-134.4149.9-172.5-64.9169.7-170.700110K118 I119 P140K118-E142 HydrophobicContact CB-CB 4.17Å; K118-E142 HydrophobicContact CD-CB 4.47Å; K118-E142 WeakPolarHBondContact CD-OE2 3.22Å; I119-E142 CarbonylContact O-C 3.51Å; I119-E142 WeakPolarHBondContact O-CA 3.34Å; P140-E142 PolarHBondContact O-N 3.44Å
143I80.5Confident70.9Confident72 Ų7287.5 Ų87.537%0.36946%0.456SS..EExtended strand (participates in β ladder)trans-116.1149.7173.7-61.3166.8000108.2K118 I119 L121 E125 N145K118-I143 CarbonylContact C-O 3.53Å; K118-I143 VanDerWaalsContact CA-O 3.25Å; K118-I143 WeakPolarHBondContact CA-O 3.48Å; I119-I143 PolarHBondContact N-O 3.43Å; I119-I143 PolarHBondContact O-N 3.28Å; L121-I143 HydrophobicContact CD2-CD1 3.38Å; L121-I143 HydrophobicContact CD2-CG1 3.87Å; L121-I143 HydrophobicContact CG-CD1 4.14Å; L121-I143 HydrophobicContact CG-CG1 4.19Å; E125-I143 WeakPolarHBondContact OE2-CD1 3.2Å; I143-N145 PolarHBondContact O-N 3.06Å
144R77.7Confident69.9Low177 Ų17789.5 Ų89.567%0.66845%0.448SS*.EExtended strand (participates in β ladder)trans-58.3128.5170.6-173.1178.7170.5-164.9-3.6109.5A117 C146A117-R144 CarbonylContact O-C 3.55Å; A117-R144 WeakPolarHBondContact O-CA 3.34Å; R144-C146 VanDerWaalsContact C-N 3.28Å; R144-C146 WeakPolarHBondContact CD-SG 3.21Å; R144-C146 VanDerWaalsContact CG-SG 3.53Å; R144-C146 PolarHBondContact NE-SG 2.86Å; R144-C146 PolarHBondContact O-N 3.44Å
145N74.1Confident69Low22 Ų2291.4 Ų91.412%0.11845%0.452CS..  trans-72.688.4170.5-173.112.6000108.9P116 A117 I119 I143 F160P116-N145 WeakPolarHBondContact O-CB 3.47Å; P116-N145 PolarHBondContact O-ND2 3.32Å; A117-N145 PolarHBondContact O-N 3.4Å; I119-N145 HydrophobicContact CD1-CB 3.68Å; I119-N145 VanDerWaalsContact CD1-OD1 3.27Å; I119-N145 WeakPolarHBondContact CD1-OD1 3.25Å; I119-N145 HydrophobicContact CG1-CB 3.87Å; I143-N145 PolarHBondContact O-N 3.06Å; N145-F160 HydrophobicContact CB-CE1 4.4Å; N145-F160 WeakPolarHBondContact O-CE1 3.4Å
146C66.5Low67.9Low38 Ų3887 Ų8726%0.25743%0.429SS..  trans-106.9111.1168.1-65.40000108R144 D148R144-C146 VanDerWaalsContact C-N 3.28Å; R144-C146 WeakPolarHBondContact CD-SG 3.21Å; R144-C146 VanDerWaalsContact CG-SG 3.53Å; R144-C146 PolarHBondContact NE-SG 2.86Å; R144-C146 PolarHBondContact O-N 3.44Å; C146-D148 HydrophobicContact CB-CB 4.37Å; C146-D148 WeakPolarHBondContact CB-OD1 3.34Å; C146-D148 WeakPolarHBondContact CB-OD2 3.04Å; C146-D148 PolarHBondContact O-N 3.25Å
147P61.2Low67.2Low38 Ų3888.4 Ų88.425%0.24743%0.433CS..  trans-7163.816430.4-33.1000108.5L149 F153 F160P147-L149 PolarHBondContact O-N 3.45Å; P147-F153 HydrophobicContact CB-CB 4.32Å; P147-F153 HydrophobicContact CG-CB 4.16Å; P147-F153 VanDerWaalsContact O-CB 3.26Å; P147-F153 WeakPolarHBondContact O-CB 3.34Å; P147-F160 HydrophobicContact CG-CE2 4.37Å; P147-F160 HydrophobicContact CG-CZ 3.79Å
148D57.2Low66Low98 Ų9882 Ų8252%0.52440%0.398SS..THydrogen-bonded Turntrans-72.65-177.6-72.7-32.7000113C146 Q154C146-D148 HydrophobicContact CB-CB 4.37Å; C146-D148 WeakPolarHBondContact CB-OD1 3.34Å; C146-D148 WeakPolarHBondContact CB-OD2 3.04Å; C146-D148 PolarHBondContact O-N 3.25Å; D148-Q154 PolarHBondContact O-NE2 2.82Å
149L55.2Low64.7Low164 Ų16474.2 Ų74.286%0.85937%0.365SS*.THydrogen-bonded Turntrans-69.2-36.4-172.8-99.4121.9000113.2P147P147-L149 PolarHBondContact O-N 3.45Å
150D58.5Low63.7Low78 Ų7875.9 Ų75.942%0.41737%0.371SS..SBendtrans-118.9136176.6-54.6-46.8000109.9E152 F153 Q154D150-E152 HydrophobicContact CB-CB 4.01Å; D150-E152 PolarHBondContact O-N 3.25Å; D150-F153 HydrophobicContact CB-CD2 3.68Å; D150-F153 HydrophobicContact CB-CE2 4.07Å; D150-F153 PolarHBondContact O-N 3.4Å; D150-F153 VanDerWaalsContact OD2-CE2 3.29Å; D150-F153 WeakPolarHBondContact OD2-CE2 3.21Å; D150-Q154 PolarHBondContact O-N 3.18Å
151E62.8Low62.3Low96 Ų9676.4 Ų76.445%0.44937%0.366SS..Hα-helixtrans-54.3-28.5174-64.8-177.1-174.100111F82 F153 Q154 R155F82-E151 HydrophobicContact CE2-CB 4.14Å; F82-E151 HydrophobicContact CZ-CB 3.94Å; F82-E151 WeakPolarHBondContact CZ-OE2 3.3Å; E151-F153 VanDerWaalsContact C-N 3.31Å; E151-F153 PolarHBondContact O-N 2.89Å; E151-Q154 PolarHBondContact O-N 3.06Å; E151-R155 PolarHBondContact O-N 2.93Å
152E58.4Low60.8Low21 Ų2175.7 Ų75.710%0.09837%0.365CS..Hα-helixtrans-48.2-48.1169.1-71.7-155.8-172.600113.1K36 W72 D150 A156K36-E152 IonicContact NZ-OE1 3.28Å; K36-E152 PolarHBondContact NZ-OE1 3.31Å; W72-E152 HydrophobicContact CH2-CB 3.25Å; W72-E152 HydrophobicContact CH2-CG 3.23Å; W72-E152 HydrophobicContact CZ2-CB 4.04Å; W72-E152 HydrophobicContact CZ2-CG 3.71Å; W72-E152 WeakPolarHBondContact CZ2-OE2 3.28Å; W72-E152 HydrophobicContact CZ3-CB 3.99Å; W72-E152 HydrophobicContact CZ3-CG 3.87Å; D150-E152 HydrophobicContact CB-CB 4.01Å; D150-E152 PolarHBondContact O-N 3.25Å; E152-A156 WeakPolarHBondContact O-CB 3.05Å; E152-A156 PolarHBondContact O-N 3.35Å
153F58.3Low59.1Low27 Ų2776.7 Ų76.712%0.11837%0.365CS..Hα-helixtrans-86.5-15.1-177.9-64-60.8000113.9P147 D150 E151 L158 F190P147-F153 HydrophobicContact CB-CB 4.32Å; P147-F153 HydrophobicContact CG-CB 4.16Å; P147-F153 VanDerWaalsContact O-CB 3.26Å; P147-F153 WeakPolarHBondContact O-CB 3.34Å; D150-F153 HydrophobicContact CB-CD2 3.68Å; D150-F153 HydrophobicContact CB-CE2 4.07Å; D150-F153 PolarHBondContact O-N 3.4Å; D150-F153 VanDerWaalsContact OD2-CE2 3.29Å; D150-F153 WeakPolarHBondContact OD2-CE2 3.21Å; E151-F153 VanDerWaalsContact C-N 3.31Å; E151-F153 PolarHBondContact O-N 2.89Å; F153-L158 HydrophobicContact CD1-CD1 3.78Å; F153-L158 HydrophobicContact CE1-CD1 3.93Å; F153-F190 HydrophobicContact CD1-CE2 4.03Å; F153-F190 HydrophobicContact CD1-CZ 4.12Å; F153-F190 HydrophobicContact CD2-CZ 4.49Å; F153-F190 AromaticContact CE1-CE2 3.36Å; F153-F190 HydrophobicContact CE1-CE2 3.36Å; F153-F190 AromaticContact CE1-CZ 3.39Å; F153-F190 HydrophobicContact CE1-CZ 3.39Å; F153-F190 AromaticContact CE2-CZ 3.83Å; F153-F190 HydrophobicContact CE2-CZ 3.83Å; F153-F190 HydrophobicContact CZ-CE1 4.18Å; F153-F190 AromaticContact CZ-CE2 3.74Å; F153-F190 HydrophobicContact CZ-CE2 3.74Å; F153-F190 AromaticContact CZ-CZ 3.24Å; F153-F190 HydrophobicContact CZ-CZ 3.24Å
154Q62Low57.4Low106 Ų10681 Ų8150%0.49538%0.383SS..Hα-helixtrans-72.2-39.1174.8-68.2-177.8400112D148 D150 E151D148-Q154 PolarHBondContact O-NE2 2.82Å; D150-Q154 PolarHBondContact O-N 3.18Å; E151-Q154 PolarHBondContact O-N 3.06Å
155R59.3Low55.7Low118 Ų11877.2 Ų77.245%0.44538%0.376SS..Hα-helixtrans-87.6-35.4179.6-69.4-169.5-174.4-165.93113V81 E151 D157V81-R155 PolarHBondContact O-NH1 2.94Å; E151-R155 PolarHBondContact O-N 2.93Å; R155-D157 PolarHBondContact O-N 3.2Å
156A55.9Low54.3Low1 Ų180.7 Ų80.71%0.00840%0.402CS..  trans-74.186.8168.700000104.2L74 L79 E152 L158L74-A156 HydrophobicContact CD2-CB 4.17Å; L79-A156 HydrophobicContact CD1-CB 3.78Å; L79-A156 HydrophobicContact CD2-CB 3.52Å; L79-A156 HydrophobicContact CG-CB 4.32Å; E152-A156 WeakPolarHBondContact O-CB 3.05Å; E152-A156 PolarHBondContact O-N 3.35Å; A156-L158 HydrophobicContact CB-CB 4.48Å; A156-L158 HydrophobicContact CB-CD1 3.72Å; A156-L158 HydrophobicContact CB-CD2 3.81Å; A156-L158 HydrophobicContact CB-CG 3.33Å; A156-L158 PolarHBondContact O-N 3.49Å
157D56Low53.1Low128 Ų12886 Ų8668%0.68443%0.427SS*.  trans-59.152.9157.4-77.3-36.9000107.8R155 C159R155-D157 PolarHBondContact O-N 3.2Å; D157-C159 VanDerWaalsContact C-N 3.26Å; D157-C159 PolarHBondContact O-N 3.07Å
158L50.5Low51.9Low15 Ų1591 Ų918%0.07945%0.452CS..  trans-66.697.4-175.2-70.6173.7000104L74 K77 F153 A156 F160L74-L158 HydrophobicContact CD2-CD1 3.71Å; L74-L158 HydrophobicContact CD2-CD2 4.34Å; K77-L158 HydrophobicContact CD-CD2 4.29Å; F153-L158 HydrophobicContact CD1-CD1 3.78Å; F153-L158 HydrophobicContact CE1-CD1 3.93Å; A156-L158 HydrophobicContact CB-CB 4.48Å; A156-L158 HydrophobicContact CB-CD1 3.72Å; A156-L158 HydrophobicContact CB-CD2 3.81Å; A156-L158 HydrophobicContact CB-CG 3.33Å; A156-L158 PolarHBondContact O-N 3.49Å; L158-F160 PolarHBondContact O-N 3.27Å
159C49.2Very low51.2Low7 Ų790 Ų905%0.04745%0.452CS..  trans62.331.8141.6-56.10000112.4K77 P111 L113 M115 D157 Q161K77-C159 PolarHBondContact NZ-SG 3.03Å; P111-C159 PolarHBondContact O-SG 3.03Å; L113-C159 CarbonylContact C-O 3.57Å; L113-C159 HydrophobicContact CB-CB 3.51Å; L113-C159 HydrophobicContact CD1-CB 4.28Å; L113-C159 HydrophobicContact CG-CB 4.26Å; L113-C159 CarbonylContact O-C 3.6Å; L113-C159 VanDerWaalsContact O-CB 3.24Å; L113-C159 WeakPolarHBondContact O-CB 3.29Å; M115-C159 PolarHBondContact N-O 3.21Å; D157-C159 VanDerWaalsContact C-N 3.26Å; D157-C159 PolarHBondContact O-N 3.07Å; C159-Q161 PolarHBondContact O-N 3.36Å
160F52.3Low50.6Low58 Ų5890 Ų9025%0.25445%0.453SS..BIsolated β-bridgetrans-73.266.6145.4-52.8-73.8000106.1M115 N145 P147 L158 E162M115-F160 HydrophobicContact CB-CD1 3.55Å; M115-F160 HydrophobicContact CB-CE1 3.47Å; M115-F160 VanDerWaalsContact CB-CE1 3.47Å; M115-F160 HydrophobicContact CB-CZ 4.49Å; M115-F160 HydrophobicContact CG-CE1 4.34Å; N145-F160 HydrophobicContact CB-CE1 4.4Å; N145-F160 WeakPolarHBondContact O-CE1 3.4Å; P147-F160 HydrophobicContact CG-CE2 4.37Å; P147-F160 HydrophobicContact CG-CZ 3.79Å; L158-F160 PolarHBondContact O-N 3.27Å; F160-E162 PolarHBondContact O-N 2.96Å
161Q49.4Very low49.9Very low96 Ų9692.8 Ų92.845%0.44947%0.468SS..  trans-64.2106.6146.6-71.9-170.1-20.100102.6C159 R163C159-Q161 PolarHBondContact O-N 3.36Å; Q161-R163 PolarHBondContact O-N 3.34Å
162E48.8Very low49.3Very low137 Ų13794 Ų9464%0.6449%0.487SS*.  trans-44.8119.7164.4-65.1-175.9163.500105.1A117 F160 E164A117-E162 HydrophobicContact CB-CG 4.35Å; F160-E162 PolarHBondContact O-N 2.96Å; E162-E164 PolarHBondContact O-N 2.79Å
163R46.6Very low49Very low114 Ų11497.3 Ų97.343%0.4351%0.513SS..  trans-62.599.7165.3-172.4-179.6-175159.6-1.4104Q161 D165 S166 D183Q161-R163 PolarHBondContact O-N 3.34Å; R163-D165 HydrophobicContact CG-CB 3.86Å; R163-D165 IonicContact NE-OD2 3.55Å; R163-D165 PolarHBondContact NE-OD2 3.13Å; R163-D165 PolarHBondContact O-N 3.08Å; R163-S166 PolarHBondContact O-N 3.23Å; R163-S166 PolarHBondContact O-OG 3.06Å; R163-D183 IonicContact NH1-OD1 3.77Å; R163-D183 IonicContact NH1-OD2 2.66Å
164E45.7Very low48.8Very low162 Ų162100.7 Ų100.776%0.75754%0.538SS*.G310 helixtrans-50.9-29.6176.8-68177172.200109.7E162 S166 L167E162-E164 PolarHBondContact O-N 2.79Å; E164-S166 PolarHBondContact O-N 3.21Å; E164-L167 PolarHBondContact O-N 2.93Å
165D42.5Very low48.6Very low97 Ų9797.8 Ų97.852%0.51953%0.529SS..G310 helixtrans-63.7-10178.2-41.2-29.4000115.9R163 L167R163-D165 HydrophobicContact CG-CB 3.86Å; R163-D165 IonicContact NE-OD2 3.55Å; R163-D165 PolarHBondContact NE-OD2 3.13Å; R163-D165 PolarHBondContact O-N 3.08Å; D165-L167 VanDerWaalsContact C-N 3.27Å; D165-L167 PolarHBondContact O-N 3.35Å
166S44.3Very low48.9Very low96 Ų96101.3 Ų101.367%0.67155%0.547SS*.G310 helixtrans-82.5-0.4174.266.40000114.3R163 E164R163-S166 PolarHBondContact O-N 3.23Å; R163-S166 PolarHBondContact O-OG 3.06Å; E164-S166 PolarHBondContact O-N 3.21Å
167L40.3Very low49.7Very low148 Ų148103.2 Ų103.278%0.77556%0.561SS**THydrogen-bonded Turntrans-94.8-20.8172.6-79.9165.9000114E164 D165E164-L167 PolarHBondContact O-N 2.93Å; D165-L167 VanDerWaalsContact C-N 3.27Å; D165-L167 PolarHBondContact O-N 3.35Å
168D37.7Very low50.6Low145 Ų14599.5 Ų99.578%0.77554%0.543SS*.THydrogen-bonded Turntrans-116.10.4-168.9-72.4-16.4000115.4D170D168-D170 PolarHBondContact O-N 2.81Å
169S41.6Very low51.8Low76 Ų76107.7 Ų107.753%0.53157%0.574SS.*  trans-87.4100.1166.866.70000110.1D171S169-D171 PolarHBondContact O-N 3.32Å
170D42.4Very low53.2Low164 Ų164113.5 Ų113.588%0.87760%0.6SS**  trans-60.322.7164.2-82.5-36.8000113.7D168 S172D168-D170 PolarHBondContact O-N 2.81Å; D170-S172 VanDerWaalsContact C-N 3.3Å; D170-S172 PolarHBondContact O-N 2.96Å
171D43.2Very low54.2Low137 Ų137112.2 Ų112.273%0.73360%0.598SS**  trans-78.487.6170.9-77.9-21.2000108.4S169 S173S169-D171 PolarHBondContact O-N 3.32Å; D171-S173 PolarHBondContact O-N 2.83Å
172S50.1Low55.5Low121 Ų121108.7 Ų108.785%0.84658%0.581SS**  trans-63.433.2-174.673.50000116D170D170-S172 VanDerWaalsContact C-N 3.3Å; D170-S172 PolarHBondContact O-N 2.96Å
173S52.5Low57.1Low90 Ų90104.6 Ų104.663%0.62956%0.563SS**SBendtrans-125110.516959.90000109.4D171 S175D171-S173 PolarHBondContact O-N 2.83Å; S173-S175 PolarHBondContact O-N 2.92Å
174P55.2Low58.7Low99 Ų99103.6 Ų103.664%0.64357%0.572SS**  trans-55.512117124.3-32.4000107K176P174-K176 PolarHBondContact O-N 2.85Å
175S57.6Low60.5Low44 Ų4499.6 Ų99.631%0.30856%0.562SS.*  trans-47115.8175.250.80000108.1S173 S177 C181S173-S175 PolarHBondContact O-N 2.92Å; S175-S177 PolarHBondContact O-N 3.48Å; S175-S177 VanDerWaalsContact O-N 3.1Å; S175-C181 PolarHBondContact OG-SG 2.97Å
176K65.7Low62.2Low193 Ų19396.5 Ų96.584%0.83955%0.545SS*.SBendtrans-64.8-22.2-167.1-72.6178.3-179.5173.30112.2P174P174-K176 PolarHBondContact O-N 2.85Å
177S72.1Confident63.8Low41 Ų4196.1 Ų96.129%0.28753%0.53SS..SBendtrans-120.4140.8-17662.80000112.1S175 Y179 Q180S175-S177 PolarHBondContact O-N 3.48Å; S175-S177 VanDerWaalsContact O-N 3.1Å; S177-Y179 PolarHBondContact O-N 2.75Å; S177-Q180 PolarHBondContact O-N 3.01Å; S177-Q180 VanDerWaalsContact O-N 3.13Å; S177-Q180 WeakPolarHBondContact OG-CG 2.85Å
178V75.5Confident65.7Low50 Ų5093.5 Ų93.530%0.30352%0.516SS..G310 helixtrans-49.4-41.3172.5176.30000111.2I119 P120 Q180 C181 F182I119-V178 HydrophobicContact CG2-CB 4.14Å; I119-V178 HydrophobicContact CG2-CG1 3.68Å; I119-V178 HydrophobicContact CG2-CG2 3.61Å; P120-V178 HydrophobicContact CG-CG2 3.92Å; V178-Q180 VanDerWaalsContact C-N 3.25Å; V178-Q180 PolarHBondContact O-N 3.19Å; V178-C181 WeakPolarHBondContact O-CB 3.19Å; V178-C181 PolarHBondContact O-N 3.1Å; V178-C181 VanDerWaalsContact O-N 3.08Å; V178-F182 HydrophobicContact CG1-CD2 4.19Å; V178-F182 HydrophobicContact CG1-CE2 3.62Å; V178-F182 WeakPolarHBondContact O-CD2 3.23Å
179Y75.5Confident67.8Low187 Ų18789.1 Ų89.173%0.73349%0.493SS*.G310 helixtrans-65-21.7-176.6-55.6-68.2000114.9S177 C181S177-Y179 PolarHBondContact O-N 2.75Å; Y179-C181 VanDerWaalsContact C-N 3.31Å
180Q77.6Confident69.4Low129 Ų12987.5 Ų87.560%0.60348%0.476SS*.G310 helixtrans-78.3-19.9176-75.7172.7-9.800112.4S177 V178 F182S177-Q180 PolarHBondContact O-N 3.01Å; S177-Q180 VanDerWaalsContact O-N 3.13Å; S177-Q180 WeakPolarHBondContact OG-CG 2.85Å; V178-Q180 VanDerWaalsContact C-N 3.25Å; V178-Q180 PolarHBondContact O-N 3.19Å; Q180-F182 VanDerWaalsContact C-N 3.3Å
181C74.7Confident71.1Confident31 Ų3182.8 Ų82.821%0.20945%0.447CS..SBendtrans-80.2-13.7178.6-50.90000112.8P116 S175 V178 Y179P116-C181 HydrophobicContact CB-CB 4.35Å; P116-C181 HydrophobicContact CG-CB 4.07Å; S175-C181 PolarHBondContact OG-SG 2.97Å; V178-C181 WeakPolarHBondContact O-CB 3.19Å; V178-C181 PolarHBondContact O-N 3.1Å; V178-C181 VanDerWaalsContact O-N 3.08Å; Y179-C181 VanDerWaalsContact C-N 3.31Å
182F76.6Confident72.8Confident22 Ų2277.3 Ų77.310%0.09642%0.422CS..SBendtrans-106.6134.4-177.1-69.8-81.5000110.9M115 P116 I119 V178 Q180 P184 Y187M115-F182 HydrophobicContact CE-CD1 3.99Å; M115-F182 HydrophobicContact CE-CE1 3.4Å; M115-F182 VanDerWaalsContact CE-CE1 3.4Å; M115-F182 HydrophobicContact CE-CZ 4.39Å; M115-F182 HydrophobicContact SD-CD1 3.8Å; M115-F182 HydrophobicContact SD-CE1 3.71Å; P116-F182 HydrophobicContact CG-CD1 4.04Å; P116-F182 HydrophobicContact CG-CE1 3.67Å; P116-F182 HydrophobicContact CG-CE2 4.24Å; P116-F182 HydrophobicContact CG-CG 4.48Å; P116-F182 HydrophobicContact CG-CZ 3.79Å; I119-F182 HydrophobicContact CD1-CE2 4.15Å; I119-F182 HydrophobicContact CD1-CZ 3.78Å; I119-F182 HydrophobicContact CG1-CE2 4.26Å; I119-F182 HydrophobicContact CG1-CZ 4.12Å; V178-F182 HydrophobicContact CG1-CD2 4.19Å; V178-F182 HydrophobicContact CG1-CE2 3.62Å; V178-F182 WeakPolarHBondContact O-CD2 3.23Å; Q180-F182 VanDerWaalsContact C-N 3.3Å; F182-P184 WeakPolarHBondContact O-CD 3.39Å; F182-Y187 HydrophobicContact CD1-CD2 4.12Å; F182-Y187 HydrophobicContact CG-CD2 4.32Å
183D81Confident74.3Confident50 Ų5079 Ų7927%0.26741%0.414SS..  trans-69.8121.9163.5-70.7-24.4000108R163 S185 D186 Y187R163-D183 IonicContact NH1-OD1 3.77Å; R163-D183 IonicContact NH1-OD2 2.66Å; D183-S185 PolarHBondContact O-N 2.85Å; D183-S185 VanDerWaalsContact O-N 3.17Å; D183-D186 HydrophobicContact CB-CB 4.26Å; D183-D186 PolarHBondContact O-N 3.47Å; D183-D186 VanDerWaalsContact O-N 3.14Å; D183-Y187 PolarHBondContact O-N 3.15Å
184P81.1Confident75.2Confident93 Ų9376.7 Ų76.760%0.60439%0.393SS*.Hα-helixtrans-59.1-30.8-177.3-26.635000113.2F182 L188F182-P184 WeakPolarHBondContact O-CD 3.39Å; P184-L188 VanDerWaalsContact O-CB 3.29Å; P184-L188 WeakPolarHBondContact O-CB 3.48Å; P184-L188 WeakPolarHBondContact O-CD1 3.38Å; P184-L188 WeakPolarHBondContact O-CG 3.41Å; P184-L188 PolarHBondContact O-N 3Å
185S82.7Confident75.7Confident79 Ų7977.8 Ų77.855%0.55239%0.393SS*.Hα-helixtrans-62.5-48.2175.8500000112.2D183 L188 D189D183-S185 PolarHBondContact O-N 2.85Å; D183-S185 VanDerWaalsContact O-N 3.17Å; S185-L188 PolarHBondContact O-N 3.43Å; S185-D189 WeakPolarHBondContact O-CB 3.49Å; S185-D189 PolarHBondContact O-N 3.01Å
186D79.8Confident75.9Confident32 Ų3279.9 Ų79.917%0.17141%0.406CS..Hα-helixtrans-73.7-38.1-174-68.321.7000110.1R114 D183 D189 F190R114-D186 WeakPolarHBondContact CB-OD2 3.44Å; R114-D186 PolarHBondContact N-OD2 3.14Å; R114-D186 VanDerWaalsContact N-OD2 3.08Å; D183-D186 HydrophobicContact CB-CB 4.26Å; D183-D186 PolarHBondContact O-N 3.47Å; D183-D186 VanDerWaalsContact O-N 3.14Å; D186-D189 PolarHBondContact O-N 3.08Å; D186-F190 PolarHBondContact O-N 2.89Å
187Y76.6Confident75.7Confident87 Ų8775.6 Ų75.634%0.34140%0.399SS..Hα-helixtrans-63.5-42173.4-171.3-101.8000112F182 D183 F190 Y191F182-Y187 HydrophobicContact CD1-CD2 4.12Å; F182-Y187 HydrophobicContact CG-CD2 4.32Å; D183-Y187 PolarHBondContact O-N 3.15Å; Y187-F190 WeakPolarHBondContact O-CB 3.42Å; Y187-F190 PolarHBondContact O-N 3.44Å; Y187-Y191 HydrophobicContact CD1-CE2 4.21Å; Y187-Y191 HydrophobicContact CE1-CD2 4.47Å; Y187-Y191 AromaticContact CE1-CE2 3.64Å; Y187-Y191 HydrophobicContact CE1-CE2 3.64Å; Y187-Y191 AromaticContact CZ-CE2 3.81Å; Y187-Y191 WeakPolarHBondContact O-CD2 3.25Å; Y187-Y191 PolarHBondContact OH-OH 3.12Å
188L80.7Confident75Confident93 Ų9383 Ų8349%0.48743%0.426SS..Hα-helixtrans-69.3-34.9175.3-73.6170.9000112.1P184 S185 F190 Y191 G192 L195P184-L188 VanDerWaalsContact O-CB 3.29Å; P184-L188 WeakPolarHBondContact O-CB 3.48Å; P184-L188 WeakPolarHBondContact O-CD1 3.38Å; P184-L188 WeakPolarHBondContact O-CG 3.41Å; P184-L188 PolarHBondContact O-N 3Å; S185-L188 PolarHBondContact O-N 3.43Å; L188-F190 PolarHBondContact O-N 2.86Å; L188-Y191 PolarHBondContact O-N 3.16Å; L188-G192 PolarHBondContact O-N 2.9Å; L188-G192 VanDerWaalsContact O-N 3.13Å; L188-L195 HydrophobicContact CD2-CD2 4.06Å
189D81.7Confident74.1Confident53 Ų5388.1 Ų88.128%0.28345%0.45SS..Hα-helixtrans-61.9-28175.1-17457.7000112.5W43 R75 L113 S185 D186 Y191 G192W43-D189 PolarHBondContact NE1-O 3.37Å; R75-D189 IonicContact CZ-OD2 3.46Å; R75-D189 IonicContact NH1-OD2 3.13Å; R75-D189 PolarHBondContact NH1-OD2 3.23Å; R75-D189 IonicContact NH2-OD1 2.7Å; R75-D189 PolarHBondContact NH2-OD1 3.34Å; R75-D189 IonicContact NH2-OD2 3.07Å; R75-D189 PolarHBondContact NH2-OD2 3.05Å; L113-D189 HydrophobicContact CD2-CB 4.2Å; L113-D189 VanDerWaalsContact CD2-OD2 3.28Å; L113-D189 WeakPolarHBondContact CD2-OD2 3.27Å; S185-D189 WeakPolarHBondContact O-CB 3.49Å; S185-D189 PolarHBondContact O-N 3.01Å; D186-D189 PolarHBondContact O-N 3.08Å; D189-Y191 VanDerWaalsContact C-N 3.28Å; D189-Y191 PolarHBondContact O-N 2.98Å; D189-G192 PolarHBondContact O-N 3.22Å
190F76.2Confident73.5Confident43 Ų4387.1 Ų87.119%0.18945%0.452CS..Hα-helixtrans-65.2-28.3172-171.3-94.9000113.7W43 F153 D186 Y187 L188W43-F190 WeakPolarHBondContact CZ2-O 3.45Å; F153-F190 HydrophobicContact CD1-CE2 4.03Å; F153-F190 HydrophobicContact CD1-CZ 4.12Å; F153-F190 HydrophobicContact CD2-CZ 4.49Å; F153-F190 AromaticContact CE1-CE2 3.36Å; F153-F190 HydrophobicContact CE1-CE2 3.36Å; F153-F190 AromaticContact CE1-CZ 3.39Å; F153-F190 HydrophobicContact CE1-CZ 3.39Å; F153-F190 AromaticContact CE2-CZ 3.83Å; F153-F190 HydrophobicContact CE2-CZ 3.83Å; F153-F190 HydrophobicContact CZ-CE1 4.18Å; F153-F190 AromaticContact CZ-CE2 3.74Å; F153-F190 HydrophobicContact CZ-CE2 3.74Å; F153-F190 AromaticContact CZ-CZ 3.24Å; F153-F190 HydrophobicContact CZ-CZ 3.24Å; D186-F190 PolarHBondContact O-N 2.89Å; Y187-F190 WeakPolarHBondContact O-CB 3.42Å; Y187-F190 PolarHBondContact O-N 3.44Å; L188-F190 PolarHBondContact O-N 2.86Å
191Y76.4Confident72.8Confident65 Ų6589.6 Ų89.626%0.25546%0.461SS..Hα-helixtrans-85.1-17.3170.8-68-78.2000112R42 Y187 L188 D189 P196R42-Y191 WeakPolarHBondContact CG-O 3.43Å; Y187-Y191 HydrophobicContact CD1-CE2 4.21Å; Y187-Y191 HydrophobicContact CE1-CD2 4.47Å; Y187-Y191 AromaticContact CE1-CE2 3.64Å; Y187-Y191 HydrophobicContact CE1-CE2 3.64Å; Y187-Y191 AromaticContact CZ-CE2 3.81Å; Y187-Y191 WeakPolarHBondContact O-CD2 3.25Å; Y187-Y191 PolarHBondContact OH-OH 3.12Å; L188-Y191 PolarHBondContact O-N 3.16Å; D189-Y191 VanDerWaalsContact C-N 3.28Å; D189-Y191 PolarHBondContact O-N 2.98Å; Y191-P196 HydrophobicContact CD1-CG 4.45Å; Y191-P196 HydrophobicContact CE1-CG 4.33Å
192G79.8Confident72.2Confident21 Ų2199.1 Ų99.122%0.21649%0.492CS..THydrogen-bonded Turntrans66.7-147.4-175.100000111.2R42 L188 D189 E194R42-G192 CarbonylContact O-C 3.58Å; R42-G192 VanDerWaalsContact O-CA 3.3Å; R42-G192 WeakPolarHBondContact O-CA 3.46Å; L188-G192 PolarHBondContact O-N 2.9Å; L188-G192 VanDerWaalsContact O-N 3.13Å; D189-G192 PolarHBondContact O-N 3.22Å; G192-E194 PolarHBondContact O-N 3.21Å
193K80.6Confident71.8Confident157 Ų157104.8 Ų104.868%0.68352%0.524SS*.THydrogen-bonded Turntrans-75.5-5-179.1-68.2-172.5-178.8-177.60114.5R42 P44R42-K193 PolarHBondContact O-N 3.15Å; P44-K193 HydrophobicContact CG-CD 3.82Å
194E73.3Confident70.7Confident41 Ų41105.5 Ų105.519%0.19254%0.537CS..  trans-113110.7-176.3-175.1179.1-157.100110.3R41 R42 G192R41-E194 IonicContact CZ-OE1 2.95Å; R41-E194 IonicContact CZ-OE2 2.74Å; R41-E194 IonicContact NE-OE1 2.67Å; R41-E194 PolarHBondContact NE-OE1 3.33Å; R41-E194 IonicContact NE-OE2 2.61Å; R41-E194 PolarHBondContact NE-OE2 3.37Å; R41-E194 IonicContact NH2-OE1 3.97Å; R41-E194 PolarHBondContact NH2-OE1 2.97Å; R41-E194 IonicContact NH2-OE2 3.14Å; R41-E194 PolarHBondContact NH2-OE2 2.99Å; R42-E194 HydrophobicContact CG-CB 4.38Å; G192-E194 PolarHBondContact O-N 3.21Å
195L65.2Low69.9Low123 Ų123107 Ų10764%0.64455%0.547SS*.  trans-71.7142.6168.2-68.1169000109.3L188 C197L188-L195 HydrophobicContact CD2-CD2 4.06Å; L195-C197 PolarHBondContact O-N 2.71Å
196P62.1Low69.2Low87 Ų87112.1 Ų112.157%0.56558%0.582SS**  trans-54144.3171.922.2-30.8000110Y191Y191-P196 HydrophobicContact CD1-CG 4.45Å; Y191-P196 HydrophobicContact CE1-CG 4.33Å
197C60.7Low68.6Low103 Ų103116.2 Ų116.270%0.69660%0.603SS**  trans-39.2142.3-175.6-66.20000112.4L195 I199L195-C197 PolarHBondContact O-N 2.71Å; C197-I199 PolarHBondContact O-N 3.04Å
198K57Low68.2Low198 Ų198117.7 Ų117.786%0.86162%0.617SS**  trans-48112.3176-136.7-180-174.4-176.80108.6E200K198-E200 VanDerWaalsContact C-N 3.26Å; K198-E200 PolarHBondContact O-N 3.16Å
199I56.9Low67.5Low157 Ų157119.1 Ų119.181%0.80562%0.624SS**  trans-69.596.9166.5-58.2171.5000104.1C197 K201C197-I199 PolarHBondContact O-N 3.04Å; I199-K201 PolarHBondContact O-N 3.12Å
200E62.3Low66.7Low166 Ų166122.9 Ų122.978%0.77664%0.644SS**  trans-57.9122.9162.6-66.8-167.6161.700105.7K198 W202K198-E200 VanDerWaalsContact C-N 3.26Å; K198-E200 PolarHBondContact O-N 3.16Å; E200-W202 PolarHBondContact O-N 3.2Å
201K63.5Low66.1Low181 Ų181127.9 Ų127.979%0.78767%0.672SS**  trans-56.1115.4170.6-73.1-178.8178.5179.50105.1I199 D203I199-K201 PolarHBondContact O-N 3.12Å; K201-D203 PolarHBondContact O-N 3.38Å
202W62.1Low65.4Low230 Ų230132.1 Ų132.187%0.87170%0.7SS**  trans-65.694.3170.4-176.8-79.1000106.1E200 A204E200-W202 PolarHBondContact O-N 3.2Å; W202-A204 PolarHBondContact O-N 3.43Å
203D67.6Low64.4Low142 Ų142140.1 Ų140.176%0.75974%0.735SS**  trans-71.787.9166.8-68.6-25.1000105.3K201K201-D203 PolarHBondContact O-N 3.38Å
204A59.3Low63.1Low65 Ų65138.8 Ų138.854%0.53774%0.739SS.*  trans-56.6127.5169.700000106.7W202 S206W202-A204 PolarHBondContact O-N 3.43Å; A204-S206 PolarHBondContact O-N 3.27Å
205P63.2Low62.3Low125 Ų125146.9 Ų146.981%0.81278%0.784SS**  trans-57.9118.2171.623.5-30.3000107.3
206S67.4Low62Low186 Ų186149.1 Ų149.1100%1.30180%0.797SS**  trans-59.10175.856.90000111.9A204A204-S206 PolarHBondContact O-N 3.27Å

Retrieved 206 of 206 residues in 118 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).