A0A087X770_POEFO Loading...

Junctophilin 2

AlphaFold DB , UniProt , Accession A0A087X770, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 806 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
1M50.8Low85.5Confident195 Ų19593.9 Ų93.996%0.96152%0.515SS*.  0148.60-62.366.9153.500108.3G3M1-G3 PolarHBondContact O-N 3.15Å
2S76Confident86Confident89 Ų8986.3 Ų86.362%0.62248%0.475SS*.  trans-86.754.6166.950.20000110.6W18S2-W18 VanDerWaalsContact CB-O 3.31Å; S2-W18 WeakPolarHBondContact CB-O 3.12Å; S2-W18 WeakPolarHBondContact O-CA 3.43Å; S2-W18 WeakPolarHBondContact O-CB 3.48Å; S2-W18 PolarHBondContact O-N 3.19Å; S2-W18 PolarHBondContact OG-O 2.83Å
3G84.1Confident86.6Confident28 Ų2880.2 Ų80.229%0.28944%0.443SS..EExtended strand (participates in β ladder)trans-101156.5177.700000111.7M1 G16M1-G3 PolarHBondContact O-N 3.15Å; G3-G16 CarbonylContact C-O 3.55Å; G3-G16 WeakPolarHBondContact CA-O 3.42Å
4G90.8Very high87.2Confident23 Ų2374.6 Ų74.624%0.23741%0.411CS..EExtended strand (participates in β ladder)trans-176.8165.5177.300000114.1G16 W18G4-G16 PolarHBondContact N-O 3.01Å; G4-G16 PolarHBondContact O-N 2.93Å; G4-W18 PolarHBondContact O-NE1 2.76Å; G4-W18 VanDerWaalsContact O-NE1 3.09Å
5R93.1Very high87.8Confident111 Ų11169.6 Ų69.642%0.41938%0.384SS..EExtended strand (participates in β ladder)trans-99.9140.2172.5-177.7172.3174-97.3-5.6110.1E7 Y14 C15 S431R5-E7 IonicContact CZ-OE1 3.34Å; R5-E7 IonicContact NH1-OE1 2.65Å; R5-E7 PolarHBondContact NH1-OE1 3.46Å; R5-E7 IonicContact NH2-OE1 3.38Å; R5-E7 PolarHBondContact NH2-OE1 3.47Å; R5-Y14 CarbonylContact C-O 3.55Å; R5-Y14 VanDerWaalsContact CA-O 3.29Å; R5-Y14 WeakPolarHBondContact CA-O 3.34Å; R5-C15 HydrophobicContact CB-CB 4.47Å; R5-C15 HydrophobicContact CG-CB 4.45Å; R5-S431 WeakPolarHBondContact CD-OG 3.47Å
6F92.3Very high88.3Confident103 Ų10365.3 Ų65.345%0.45236%0.36SS..EExtended strand (participates in β ladder)trans-133.8137176-175.6-90.1000109F8 A13 Y14 W18F6-F8 AromaticContact CD1-CD1 3.8Å; F6-F8 HydrophobicContact CD1-CD1 3.8Å; F6-F8 AromaticContact CD1-CE1 3.65Å; F6-F8 HydrophobicContact CD1-CE1 3.65Å; F6-F8 HydrophobicContact CD1-CG 4.47Å; F6-F8 HydrophobicContact CD1-CZ 4.21Å; F6-F8 AromaticContact CE1-CD1 3.56Å; F6-F8 HydrophobicContact CE1-CD1 3.56Å; F6-F8 AromaticContact CE1-CE1 3.68Å; F6-F8 HydrophobicContact CE1-CE1 3.68Å; F6-F8 HydrophobicContact CE1-CG 4.45Å; F6-A13 CarbonylContact O-C 3.53Å; F6-A13 VanDerWaalsContact O-CA 3.26Å; F6-A13 WeakPolarHBondContact O-CA 3.44Å; F6-A13 WeakPolarHBondContact O-CB 3.28Å; F6-Y14 PolarHBondContact N-O 3.21Å; F6-Y14 PolarHBondContact O-N 3.15Å; F6-W18 HydrophobicContact CB-CH2 3.92Å; F6-W18 HydrophobicContact CB-CZ2 3.55Å; F6-W18 HydrophobicContact CD2-CH2 4.42Å; F6-W18 HydrophobicContact CG-CH2 4.1Å; F6-W18 HydrophobicContact CG-CZ2 4.24Å
7E92.8Very high88.7Confident123 Ų12362.4 Ų62.458%0.57535%0.349SS*.EExtended strand (participates in β ladder)trans-104.8137.8177.4-63.3-179.1159.100108.9R5R5-E7 IonicContact CZ-OE1 3.34Å; R5-E7 IonicContact NH1-OE1 2.65Å; R5-E7 PolarHBondContact NH1-OE1 3.46Å; R5-E7 IonicContact NH2-OE1 3.38Å; R5-E7 PolarHBondContact NH2-OE1 3.47Å
8F90.1Very high89Confident53 Ų5362.2 Ų62.223%0.23234%0.342CS..  trans-96.4147.3176.8-59.7-67.7000110.4F6 D10 G11 G12 L210F6-F8 AromaticContact CD1-CD1 3.8Å; F6-F8 HydrophobicContact CD1-CD1 3.8Å; F6-F8 AromaticContact CD1-CE1 3.65Å; F6-F8 HydrophobicContact CD1-CE1 3.65Å; F6-F8 HydrophobicContact CD1-CG 4.47Å; F6-F8 HydrophobicContact CD1-CZ 4.21Å; F6-F8 AromaticContact CE1-CD1 3.56Å; F6-F8 HydrophobicContact CE1-CD1 3.56Å; F6-F8 AromaticContact CE1-CE1 3.68Å; F6-F8 HydrophobicContact CE1-CE1 3.68Å; F6-F8 HydrophobicContact CE1-CG 4.45Å; F8-D10 WeakPolarHBondContact CB-OD1 3.29Å; F8-D10 PolarHBondContact O-N 3.46Å; F8-G11 PolarHBondContact O-N 3.48Å; F8-G12 PolarHBondContact N-O 3.48Å; F8-L210 HydrophobicContact CE1-CD2 4.19Å; F8-L210 HydrophobicContact CZ-CD2 4.33Å
9D91.4Very high89.2Confident183 Ų18363.4 Ų63.498%0.97934%0.344SS*.THydrogen-bonded Turntrans-58.8-18179.3-61.1-41.2000114G11D9-G11 VanDerWaalsContact C-N 3.34Å
10D90.6Very high89.3Confident78 Ų7864 Ų6442%0.41737%0.366SS..THydrogen-bonded Turntrans-86.9-0.7176.8709.7000114.1F8 G12 P32 K33F8-D10 WeakPolarHBondContact CB-OD1 3.29Å; F8-D10 PolarHBondContact O-N 3.46Å; D10-G12 PolarHBondContact OD1-N 3.43Å; D10-P32 HydrophobicContact CB-CB 4.08Å; D10-P32 WeakPolarHBondContact OD2-CG 3.31Å; D10-K33 PolarHBondContact O-N 2.97Å
11G88Confident89.3Confident47 Ų4763.3 Ų63.349%0.48537%0.374SS..SBendtrans83.210-178.100000115.1F8 D9 K33 G34F8-G11 PolarHBondContact O-N 3.48Å; D9-G11 VanDerWaalsContact C-N 3.34Å; G11-K33 CarbonylContact O-C 3.52Å; G11-G34 PolarHBondContact O-N 3.12Å
12G92.3Very high91.3Very high3 Ų356.8 Ų56.83%0.03134%0.34CS..  trans-78.4173.3159.800000112F8 D10 T30 G31F8-G12 PolarHBondContact N-O 3.48Å; D10-G12 PolarHBondContact OD1-N 3.43Å; G12-T30 WeakPolarHBondContact CA-O 3.47Å; G12-G31 VanDerWaalsContact CA-O 3.24Å; G12-G31 WeakPolarHBondContact CA-O 3.46Å
13A94Very high92.2Very high7 Ų752.5 Ų52.56%0.05831%0.31CS..EExtended strand (participates in β ladder)trans-154.4148.3173.300000112.7F6 C29 T30 F434F6-A13 CarbonylContact O-C 3.53Å; F6-A13 VanDerWaalsContact O-CA 3.26Å; F6-A13 WeakPolarHBondContact O-CA 3.44Å; F6-A13 WeakPolarHBondContact O-CB 3.28Å; A13-C29 WeakPolarHBondContact O-CA 3.42Å; A13-T30 PolarHBondContact N-O 3.47Å; A13-T30 PolarHBondContact N-OG1 3.27Å; A13-T30 PolarHBondContact O-N 3.3Å; A13-T30 PolarHBondContact O-OG1 2.96Å; A13-F434 HydrophobicContact CB-CE2 3.94Å
14Y95.1Very high92.7Very high1 Ų153.8 Ų53.80%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-104.1141.6169-179.7-95.6000110.9R5 F6 G17 W18 A23 I28 C29 W42R5-Y14 CarbonylContact C-O 3.55Å; R5-Y14 VanDerWaalsContact CA-O 3.29Å; R5-Y14 WeakPolarHBondContact CA-O 3.34Å; F6-Y14 PolarHBondContact N-O 3.21Å; F6-Y14 PolarHBondContact O-N 3.15Å; Y14-G17 PolarHBondContact OH-N 3.04Å; Y14-G17 PolarHBondContact OH-O 2.96Å; Y14-G17 VanDerWaalsContact OH-O 3.13Å; Y14-W18 AromaticContact CD1-CE2 3.7Å; Y14-W18 HydrophobicContact CD1-CH2 4.31Å; Y14-W18 AromaticContact CD1-CZ2 3.44Å; Y14-W18 HydrophobicContact CD1-CZ2 3.44Å; Y14-W18 VanDerWaalsContact CD1-CZ2 3.44Å; Y14-W18 AromaticContact CD1-NE1 3.78Å; Y14-W18 AromaticContact CE1-CE2 3.82Å; Y14-W18 HydrophobicContact CE1-CZ2 4.01Å; Y14-W18 AromaticContact CE1-NE1 3.68Å; Y14-W18 HydrophobicContact CG-CZ2 4.3Å; Y14-A23 HydrophobicContact CD2-CB 4.33Å; Y14-A23 HydrophobicContact CE1-CB 4.03Å; Y14-A23 HydrophobicContact CE2-CB 3.72Å; Y14-I28 CarbonylContact C-O 3.56Å; Y14-I28 VanDerWaalsContact CA-O 3.31Å; Y14-I28 WeakPolarHBondContact CA-O 3.43Å; Y14-I28 VanDerWaalsContact CD2-O 3.25Å; Y14-I28 WeakPolarHBondContact CD2-O 3.31Å; Y14-C29 HydrophobicContact CD2-CB 4.13Å; Y14-W42 HydrophobicContact CD2-CZ2 4.21Å; Y14-W42 HydrophobicContact CE2-CD2 4Å; Y14-W42 AromaticContact CE2-CE2 3.63Å; Y14-W42 HydrophobicContact CE2-CG 4.3Å; Y14-W42 AromaticContact CE2-CZ2 3.96Å; Y14-W42 HydrophobicContact CE2-CZ2 3.96Å; Y14-W42 AromaticContact CE2-NE1 3.71Å
15C95.7Very high92.9Very high0 Ų053.6 Ų53.60%031%0.307CS..EExtended strand (participates in β ladder)trans-140.8117.8167.6-167.10000110.2R5 G27 I28 A427 F434R5-C15 HydrophobicContact CB-CB 4.47Å; R5-C15 HydrophobicContact CG-CB 4.45Å; C15-G27 CarbonylContact O-C 3.55Å; C15-G27 VanDerWaalsContact O-CA 3.27Å; C15-G27 WeakPolarHBondContact O-CA 3.45Å; C15-I28 PolarHBondContact N-O 3.36Å; C15-I28 PolarHBondContact O-N 3.28Å; C15-A427 HydrophobicContact CB-CB 4.12Å; C15-F434 HydrophobicContact CB-CD1 3.84Å; C15-F434 HydrophobicContact CB-CD2 4.14Å; C15-F434 HydrophobicContact CB-CE1 3.85Å; C15-F434 HydrophobicContact CB-CE2 4.14Å; C15-F434 HydrophobicContact CB-CG 3.98Å; C15-F434 HydrophobicContact CB-CZ 3.99Å
16G95.9Very high93.1Very high0 Ų051.1 Ų51.10%030%0.299CS..EExtended strand (participates in β ladder)trans167.6-161.5-173.600000113.6G3 G4 H26 L430G3-G16 CarbonylContact C-O 3.55Å; G3-G16 WeakPolarHBondContact CA-O 3.42Å; G4-G16 PolarHBondContact N-O 3.01Å; G4-G16 PolarHBondContact O-N 2.93Å; G16-H26 WeakPolarHBondContact CA-O 3.47Å; G16-L430 WeakPolarHBondContact O-CD1 3.49Å
17G94.4Very high93.3Very high16 Ų1646.2 Ų46.217%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-76.6151.5178.100000114.5Y14 A23 H24 H26Y14-G17 PolarHBondContact OH-N 3.04Å; Y14-G17 PolarHBondContact OH-O 2.96Å; Y14-G17 VanDerWaalsContact OH-O 3.13Å; G17-A23 WeakPolarHBondContact O-CA 3.34Å; G17-H24 CarbonylContact C-O 3.49Å; G17-H24 WeakPolarHBondContact CA-O 3.34Å; G17-H24 PolarHBondContact O-N 2.97Å; G17-H24 VanDerWaalsContact O-O 3.11Å; G17-H26 PolarHBondContact N-O 2.91Å; G17-H26 VanDerWaalsContact N-O 3.15Å
18W94.1Very high93.5Very high59 Ų5940.3 Ų40.322%0.22325%0.251CS..EExtended strand (participates in β ladder)trans-132136.8178-63.681.2000111.3S2 G4 F6 Y14 K22S2-W18 VanDerWaalsContact CB-O 3.31Å; S2-W18 WeakPolarHBondContact CB-O 3.12Å; S2-W18 WeakPolarHBondContact O-CA 3.43Å; S2-W18 WeakPolarHBondContact O-CB 3.48Å; S2-W18 PolarHBondContact O-N 3.19Å; S2-W18 PolarHBondContact OG-O 2.83Å; G4-W18 PolarHBondContact O-NE1 2.76Å; G4-W18 VanDerWaalsContact O-NE1 3.09Å; F6-W18 HydrophobicContact CB-CH2 3.92Å; F6-W18 HydrophobicContact CB-CZ2 3.55Å; F6-W18 HydrophobicContact CD2-CH2 4.42Å; F6-W18 HydrophobicContact CG-CH2 4.1Å; F6-W18 HydrophobicContact CG-CZ2 4.24Å; Y14-W18 AromaticContact CD1-CE2 3.7Å; Y14-W18 HydrophobicContact CD1-CH2 4.31Å; Y14-W18 AromaticContact CD1-CZ2 3.44Å; Y14-W18 HydrophobicContact CD1-CZ2 3.44Å; Y14-W18 VanDerWaalsContact CD1-CZ2 3.44Å; Y14-W18 AromaticContact CD1-NE1 3.78Å; Y14-W18 AromaticContact CE1-CE2 3.82Å; Y14-W18 HydrophobicContact CE1-CZ2 4.01Å; Y14-W18 AromaticContact CE1-NE1 3.68Å; Y14-W18 HydrophobicContact CG-CZ2 4.3Å; W18-K22 CarbonylContact C-O 3.52Å; W18-K22 WeakPolarHBondContact CA-O 3.47Å
19E94.1Very high93.7Very high85 Ų8537.9 Ų37.940%0.39724%0.24SC..EExtended strand (participates in β ladder)trans-140.7134.7170.6-164.6-172.913700109.8G21 K22 H24 Y44E19-G21 PolarHBondContact O-N 2.8Å; E19-G21 VanDerWaalsContact O-N 3.14Å; E19-K22 PolarHBondContact N-O 3.05Å; E19-K22 PolarHBondContact O-N 3.29Å; E19-K22 VanDerWaalsContact O-O 3.08Å; E19-H24 HydrophobicContact CB-CB 3.68Å; E19-H24 IonicContact OE2-CD2 3.85Å; E19-H24 IonicContact OE2-CE1 2.76Å; E19-H24 IonicContact OE2-CG 2.68Å; E19-H24 IonicContact OE2-ND1 2.74Å; E19-H24 IonicContact OE2-NE2 3.98Å; E19-Y44 HydrophobicContact CB-CE1 4.11Å; E19-Y44 VanDerWaalsContact CD-CE1 3.5Å; E19-Y44 VanDerWaalsContact CD-OH 3.3Å; E19-Y44 HydrophobicContact CG-CE1 3.95Å; E19-Y44 WeakPolarHBondContact OE1-CE1 3.27Å; E19-Y44 VanDerWaalsContact OE1-CZ 3.25Å; E19-Y44 PolarHBondContact OE1-OH 3.31Å
20G89.8Confident93.9Very high75 Ų7529.6 Ų29.677%0.77320%0.196SC*.THydrogen-bonded Turntrans58.427.5179.100000114.9K22G20-K22 VanDerWaalsContact C-N 3.33Å
21G89.9Confident93.8Very high51 Ų5126 Ų2653%0.52618%0.177SC..THydrogen-bonded Turntrans75.815.7-175.200000114.7E19E19-G21 PolarHBondContact O-N 2.8Å; E19-G21 VanDerWaalsContact O-N 3.14Å
22K93.3Very high93.9Very high57 Ų5726.8 Ų26.825%0.24817%0.174CC..EExtended strand (participates in β ladder)trans-129.5151.5-178.1-71.5162.5147-67.10110.9W18 E19 G20 H24 Y44 L210W18-K22 CarbonylContact C-O 3.52Å; W18-K22 WeakPolarHBondContact CA-O 3.47Å; E19-K22 PolarHBondContact N-O 3.05Å; E19-K22 PolarHBondContact O-N 3.29Å; E19-K22 VanDerWaalsContact O-O 3.08Å; G20-K22 VanDerWaalsContact C-N 3.33Å; K22-H24 PolarHBondContact O-N 3.27Å; K22-Y44 WeakPolarHBondContact CD-O 3.42Å; K22-Y44 PolarHBondContact NZ-O 2.98Å; K22-L210 PolarHBondContact NZ-O 3.27Å
23A93.9Very high93.6Very high0 Ų034.8 Ų34.80%021%0.207CC..EExtended strand (participates in β ladder)trans-58.5129.5173.300000111.2Y14 G17 W42 Y44 G45 L210Y14-A23 HydrophobicContact CD2-CB 4.33Å; Y14-A23 HydrophobicContact CE1-CB 4.03Å; Y14-A23 HydrophobicContact CE2-CB 3.72Å; G17-A23 WeakPolarHBondContact O-CA 3.34Å; A23-W42 HydrophobicContact CB-CB 4.37Å; A23-W42 HydrophobicContact CB-CD2 4.15Å; A23-W42 HydrophobicContact CB-CE3 3.97Å; A23-W42 HydrophobicContact CB-CG 4.34Å; A23-Y44 CarbonylContact O-C 3.59Å; A23-Y44 PolarHBondContact O-N 3.38Å; A23-G45 PolarHBondContact O-N 3.25Å; A23-L210 HydrophobicContact CB-CD1 3.81Å
24H95.3Very high93Very high54 Ų5435.2 Ų35.225%0.2521%0.213CC..EExtended strand (participates in β ladder)trans-151143.9-177.6-171.5103.2000110.9G17 E19 K22 Y44G17-H24 CarbonylContact C-O 3.49Å; G17-H24 WeakPolarHBondContact CA-O 3.34Å; G17-H24 PolarHBondContact O-N 2.97Å; G17-H24 VanDerWaalsContact O-O 3.11Å; E19-H24 HydrophobicContact CB-CB 3.68Å; E19-H24 IonicContact OE2-CD2 3.85Å; E19-H24 IonicContact OE2-CE1 2.76Å; E19-H24 IonicContact OE2-CG 2.68Å; E19-H24 IonicContact OE2-ND1 2.74Å; E19-H24 IonicContact OE2-NE2 3.98Å; K22-H24 PolarHBondContact O-N 3.27Å; H24-Y44 AromaticContact CE1-CE2 3.98Å; H24-Y44 AromaticContact ND1-CE1 3.94Å; H24-Y44 AromaticContact ND1-CE2 3.92Å; H24-Y44 AromaticContact ND1-CZ 3.87Å
25G95.8Very high92.6Very high20 Ų2040 Ų4021%0.20624%0.235CC..EExtended strand (participates in β ladder)trans73.1-150.1-174.700000111.1W42G25-W42 PolarHBondContact N-O 3.23Å; G25-W42 WeakPolarHBondContact O-CB 3.3Å; G25-W42 PolarHBondContact O-N 3.26Å
26H97.1Very high92.5Very high58 Ų5840 Ų4027%0.26924%0.235SC..EExtended strand (participates in β ladder)trans-80.6138.3-174-45.795.3000112.1G16 G17 G40 E419 I422 A423 V426G16-H26 WeakPolarHBondContact CA-O 3.47Å; G17-H26 PolarHBondContact N-O 2.91Å; G17-H26 VanDerWaalsContact N-O 3.15Å; H26-G40 WeakPolarHBondContact CA-O 3.24Å; H26-E419 IonicContact CD2-OE2 3.76Å; H26-E419 PolarHBondContact CD2-OE2 2.87Å; H26-E419 IonicContact NE2-OE2 3.04Å; H26-E419 PolarHBondContact NE2-OE2 2.87Å; H26-I422 HydrophobicContact CB-CG2 4.07Å; H26-I422 VanDerWaalsContact CG-CG2 3.49Å; H26-A423 HydrophobicContact CB-CB 4.1Å; H26-V426 HydrophobicContact CB-CG2 4.33Å
27G96Very high92.4Very high0 Ų040 Ų400%024%0.235CC..EExtended strand (participates in β ladder)trans-175.3162.9176.200000114.9C15 G40 W42C15-G27 CarbonylContact O-C 3.55Å; C15-G27 VanDerWaalsContact O-CA 3.27Å; C15-G27 WeakPolarHBondContact O-CA 3.45Å; G27-G40 PolarHBondContact N-O 3.16Å; G27-G40 PolarHBondContact O-N 3.31Å; G27-W42 PolarHBondContact O-NE1 2.84Å
28I96.5Very high92.6Very high0 Ų039.2 Ų39.20%023%0.227CC..EExtended strand (participates in β ladder)trans-106.4139.8175.8-59.5179.6000109.3Y14 C15 E37 Y38 A423 R424 A427 F434 Q436Y14-I28 CarbonylContact C-O 3.56Å; Y14-I28 VanDerWaalsContact CA-O 3.31Å; Y14-I28 WeakPolarHBondContact CA-O 3.43Å; Y14-I28 VanDerWaalsContact CD2-O 3.25Å; Y14-I28 WeakPolarHBondContact CD2-O 3.31Å; C15-I28 PolarHBondContact N-O 3.36Å; C15-I28 PolarHBondContact O-N 3.28Å; I28-E37 HydrophobicContact CG2-CG 3.56Å; I28-Y38 CarbonylContact C-O 3.51Å; I28-Y38 VanDerWaalsContact CA-O 3.27Å; I28-Y38 WeakPolarHBondContact CA-O 3.45Å; I28-Y38 WeakPolarHBondContact CG2-O 3.44Å; I28-A423 HydrophobicContact CG1-CB 4.44Å; I28-R424 HydrophobicContact CD1-CG 3.92Å; I28-A427 HydrophobicContact CD1-CB 3.79Å; I28-A427 HydrophobicContact CG1-CB 4.09Å; I28-F434 HydrophobicContact CB-CE1 3.85Å; I28-F434 HydrophobicContact CB-CZ 4.4Å; I28-F434 HydrophobicContact CD1-CE1 4.19Å; I28-F434 HydrophobicContact CG2-CE1 3.75Å; I28-F434 HydrophobicContact CG2-CZ 4.09Å; I28-Q436 HydrophobicContact CD1-CG 3.77Å
29C95.2Very high92.7Very high2 Ų236.4 Ų36.41%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-125.9123.3167.3-172.50000109.3A13 Y14 E37 Y38 W42A13-C29 WeakPolarHBondContact O-CA 3.42Å; Y14-C29 HydrophobicContact CD2-CB 4.13Å; C29-E37 WeakPolarHBondContact O-CA 3.21Å; C29-Y38 PolarHBondContact N-O 3.09Å; C29-Y38 PolarHBondContact O-N 3.33Å; C29-W42 HydrophobicContact CB-CH2 3.66Å; C29-W42 HydrophobicContact CB-CZ2 3.47Å; C29-W42 VanDerWaalsContact CB-CZ2 3.47Å
30T94.7Very high92.9Very high9 Ų932.4 Ų32.46%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-92.2140.916958.30000110.5G12 A13 G36 E37 F434 P437G12-T30 WeakPolarHBondContact CA-O 3.47Å; A13-T30 PolarHBondContact N-O 3.47Å; A13-T30 PolarHBondContact N-OG1 3.27Å; A13-T30 PolarHBondContact O-N 3.3Å; A13-T30 PolarHBondContact O-OG1 2.96Å; T30-G36 WeakPolarHBondContact CA-O 3.47Å; T30-E37 HydrophobicContact CG2-CG 4.32Å; T30-F434 HydrophobicContact CG2-CZ 4.28Å; T30-P437 HydrophobicContact CG2-CG 3.85Å
31G89.3Confident93.2Very high1 Ų129.9 Ų29.91%0.0117%0.168CC..  trans-70177.617800000113.3G12 K33 G34 Q35 G36G12-G31 VanDerWaalsContact CA-O 3.24Å; G12-G31 WeakPolarHBondContact CA-O 3.46Å; G31-K33 PolarHBondContact O-N 3.37Å; G31-G34 CarbonylContact O-C 3.59Å; G31-G34 VanDerWaalsContact O-CA 3.24Å; G31-G34 WeakPolarHBondContact O-CA 3.39Å; G31-G34 PolarHBondContact O-N 2.81Å; G31-Q35 WeakPolarHBondContact CA-O 3.42Å; G31-Q35 PolarHBondContact O-N 2.8Å; G31-G36 PolarHBondContact N-O 3.37Å
32P89.3Confident93.5Very high64 Ų6427.8 Ų27.842%0.41615%0.145SC..G310 helixtrans-49.6135.1-178.8-23.829000112.1D10 G34 Q35D10-P32 HydrophobicContact CB-CB 4.08Å; D10-P32 WeakPolarHBondContact OD2-CG 3.31Å; P32-G34 PolarHBondContact O-N 3.34Å; P32-Q35 VanDerWaalsContact O-CB 3.25Å; P32-Q35 WeakPolarHBondContact O-CB 3.19Å; P32-Q35 WeakPolarHBondContact O-CG 3.46Å; P32-Q35 PolarHBondContact O-N 2.94Å
33K87.2Confident93.6Very high171 Ų17128.9 Ų28.974%0.74315%0.153SC*.G310 helixtrans53.934.5-174-47.8177.4-176.7-179.70113.7D10 G11 G31 Q35D10-K33 PolarHBondContact O-N 2.97Å; G11-K33 CarbonylContact O-C 3.52Å; G31-K33 PolarHBondContact O-N 3.37Å; K33-Q35 HydrophobicContact CB-CG 4.36Å; K33-Q35 PolarHBondContact O-N 3.06Å; K33-Q35 PolarHBondContact O-NE2 3.08Å
34G80.8Confident93.6Very high17 Ų1733.7 Ų33.718%0.17517%0.172CC..G310 helixtrans62.918.6-174.100000114.9G11 G31 P32 G36 Y441G11-G34 PolarHBondContact O-N 3.12Å; G31-G34 CarbonylContact O-C 3.59Å; G31-G34 VanDerWaalsContact O-CA 3.24Å; G31-G34 WeakPolarHBondContact O-CA 3.39Å; G31-G34 PolarHBondContact O-N 2.81Å; P32-G34 PolarHBondContact O-N 3.34Å; G34-G36 PolarHBondContact O-N 3.06Å; G34-Y441 PolarHBondContact O-OH 3.4Å; G34-Y441 VanDerWaalsContact O-OH 3.06Å
35Q87.4Confident93.5Very high100 Ų10031.1 Ų31.147%0.46716%0.16SC..  trans-85.3106.5-174-64.1-58-59.900112.4G31 P32 K33 P55G31-Q35 WeakPolarHBondContact CA-O 3.42Å; G31-Q35 PolarHBondContact O-N 2.8Å; P32-Q35 VanDerWaalsContact O-CB 3.25Å; P32-Q35 WeakPolarHBondContact O-CB 3.19Å; P32-Q35 WeakPolarHBondContact O-CG 3.46Å; P32-Q35 PolarHBondContact O-N 2.94Å; K33-Q35 HydrophobicContact CB-CG 4.36Å; K33-Q35 PolarHBondContact O-N 3.06Å; K33-Q35 PolarHBondContact O-NE2 3.08Å; Q35-P55 HydrophobicContact CB-CG 4.12Å
36G92.1Very high93.4Very high0 Ų033.9 Ų33.90%017%0.167CC..SBendtrans81.9159-177.500000112T30 G31 G34 T53 Y441T30-G36 WeakPolarHBondContact CA-O 3.47Å; G31-G36 PolarHBondContact N-O 3.37Å; G34-G36 PolarHBondContact O-N 3.06Å; G36-T53 VanDerWaalsContact CA-O 3.29Å; G36-T53 WeakPolarHBondContact CA-O 3.39Å; G36-Y441 PolarHBondContact N-OH 2.94Å
37E95.4Very high93.3Very high0 Ų031.3 Ų31.30%016%0.155CC..EExtended strand (participates in β ladder)trans-143.1124.5-170.2-171.3-171.589.900110.6I28 C29 T30 Y52 T53 R424 Q436 P437 G438I28-E37 HydrophobicContact CG2-CG 3.56Å; C29-E37 WeakPolarHBondContact O-CA 3.21Å; T30-E37 HydrophobicContact CG2-CG 4.32Å; E37-Y52 CarbonylContact O-C 3.54Å; E37-Y52 VanDerWaalsContact O-CA 3.27Å; E37-Y52 WeakPolarHBondContact O-CA 3.29Å; E37-T53 PolarHBondContact N-O 2.91Å; E37-T53 PolarHBondContact O-N 2.9Å; E37-R424 IonicContact OE1-CZ 3.48Å; E37-R424 IonicContact OE1-NH1 3.22Å; E37-R424 PolarHBondContact OE1-NH1 2.88Å; E37-R424 IonicContact OE1-NH2 2.69Å; E37-R424 PolarHBondContact OE1-NH2 2.81Å; E37-R424 IonicContact OE2-NH1 3.15Å; E37-Q436 VanDerWaalsContact OE2-CA 3.26Å; E37-Q436 WeakPolarHBondContact OE2-CA 3.4Å; E37-P437 HydrophobicContact CB-CG 4.37Å; E37-P437 WeakPolarHBondContact OE2-CD 3.48Å; E37-P437 VanDerWaalsContact OE2-N 3.09Å; E37-G438 WeakPolarHBondContact OE1-CA 3.36Å; E37-G438 PolarHBondContact OE2-N 3.01Å
38Y96.8Very high93.4Very high1 Ų134 Ų340%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-91.3137.8159.4-178.5-89000109.7I28 C29 S41 W42 E47 V49 V51 Y52 W64I28-Y38 CarbonylContact C-O 3.51Å; I28-Y38 VanDerWaalsContact CA-O 3.27Å; I28-Y38 WeakPolarHBondContact CA-O 3.45Å; I28-Y38 WeakPolarHBondContact CG2-O 3.44Å; C29-Y38 PolarHBondContact N-O 3.09Å; C29-Y38 PolarHBondContact O-N 3.33Å; Y38-S41 PolarHBondContact OH-O 3.05Å; Y38-W42 AromaticContact CD1-CE2 3.61Å; Y38-W42 HydrophobicContact CD1-CH2 4.26Å; Y38-W42 AromaticContact CD1-CZ2 3.33Å; Y38-W42 HydrophobicContact CD1-CZ2 3.33Å; Y38-W42 AromaticContact CD1-NE1 3.67Å; Y38-W42 HydrophobicContact CE1-CD2 4.45Å; Y38-W42 AromaticContact CE1-CE2 3.65Å; Y38-W42 AromaticContact CE1-CZ2 3.84Å; Y38-W42 HydrophobicContact CE1-CZ2 3.84Å; Y38-W42 AromaticContact CE1-NE1 3.51Å; Y38-W42 HydrophobicContact CG-CZ2 4.11Å; Y38-E47 HydrophobicContact CD1-CG 4.48Å; Y38-E47 HydrophobicContact CD2-CB 4.4Å; Y38-E47 HydrophobicContact CD2-CG 4.05Å; Y38-E47 HydrophobicContact CE1-CB 4.32Å; Y38-E47 HydrophobicContact CE1-CG 4.31Å; Y38-E47 HydrophobicContact CE2-CB 3.72Å; Y38-E47 HydrophobicContact CE2-CG 3.88Å; Y38-E47 HydrophobicContact CG-CG 4.34Å; Y38-V49 VanDerWaalsContact OH-C 3.27Å; Y38-V49 PolarHBondContact OH-O 3.45Å; Y38-V49 VanDerWaalsContact OH-O 3.06Å; Y38-V51 CarbonylContact C-O 3.28Å; Y38-Y52 HydrophobicContact CD2-CD2 4.5Å; Y38-W64 HydrophobicContact CD2-CZ2 4.2Å; Y38-W64 AromaticContact CE2-CD1 3.82Å; Y38-W64 HydrophobicContact CE2-CD2 4.03Å; Y38-W64 AromaticContact CE2-CE2 3.73Å; Y38-W64 HydrophobicContact CE2-CG 4.09Å; Y38-W64 HydrophobicContact CE2-CZ2 4.24Å; Y38-W64 AromaticContact CE2-NE1 3.61Å
39S97.3Very high93.4Very high0 Ų034.9 Ų34.90%018%0.176CC..EExtended strand (participates in β ladder)trans-141.2119.8174.754.40000110.5G50 V51 S420 R424S39-G50 WeakPolarHBondContact O-CA 3.5Å; S39-V51 PolarHBondContact N-O 3.31Å; S39-V51 PolarHBondContact O-N 2.91Å; S39-V51 PolarHBondContact OG-O 3.25Å; S39-S420 WeakPolarHBondContact CB-OG 3.46Å; S39-S420 WeakPolarHBondContact O-CB 3.26Å; S39-S420 PolarHBondContact OG-OG 2.87Å; S39-R424 PolarHBondContact OG-NH2 3.14Å
40G97.3Very high93.5Very high0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans159.4-149.8-177.900000114H26 G27H26-G40 WeakPolarHBondContact CA-O 3.24Å; G27-G40 PolarHBondContact N-O 3.16Å; G27-G40 PolarHBondContact O-N 3.31Å
41S97.3Very high93.7Very high22 Ų2234.6 Ų34.615%0.15418%0.175CC..EExtended strand (participates in β ladder)trans-95.9135.3-173.7-114.20000113.7Y38 V48 V49 E419Y38-S41 PolarHBondContact OH-O 3.05Å; S41-V48 PolarHBondContact O-N 3.03Å; S41-V49 PolarHBondContact N-O 3.49Å; S41-E419 WeakPolarHBondContact CB-OE2 3.4Å; S41-E419 PolarHBondContact OG-OE2 2.83Å
42W96.3Very high94Very high7 Ų735.7 Ų35.73%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-120.2147.5-175.9-62.678.4000111.7Y14 A23 G25 G27 C29 Y38 F46 E47Y14-W42 HydrophobicContact CD2-CZ2 4.21Å; Y14-W42 HydrophobicContact CE2-CD2 4Å; Y14-W42 AromaticContact CE2-CE2 3.63Å; Y14-W42 HydrophobicContact CE2-CG 4.3Å; Y14-W42 AromaticContact CE2-CZ2 3.96Å; Y14-W42 HydrophobicContact CE2-CZ2 3.96Å; Y14-W42 AromaticContact CE2-NE1 3.71Å; A23-W42 HydrophobicContact CB-CB 4.37Å; A23-W42 HydrophobicContact CB-CD2 4.15Å; A23-W42 HydrophobicContact CB-CE3 3.97Å; A23-W42 HydrophobicContact CB-CG 4.34Å; G25-W42 PolarHBondContact N-O 3.23Å; G25-W42 WeakPolarHBondContact O-CB 3.3Å; G25-W42 PolarHBondContact O-N 3.26Å; G27-W42 PolarHBondContact O-NE1 2.84Å; C29-W42 HydrophobicContact CB-CH2 3.66Å; C29-W42 HydrophobicContact CB-CZ2 3.47Å; C29-W42 VanDerWaalsContact CB-CZ2 3.47Å; Y38-W42 AromaticContact CD1-CE2 3.61Å; Y38-W42 HydrophobicContact CD1-CH2 4.26Å; Y38-W42 AromaticContact CD1-CZ2 3.33Å; Y38-W42 HydrophobicContact CD1-CZ2 3.33Å; Y38-W42 AromaticContact CD1-NE1 3.67Å; Y38-W42 HydrophobicContact CE1-CD2 4.45Å; Y38-W42 AromaticContact CE1-CE2 3.65Å; Y38-W42 AromaticContact CE1-CZ2 3.84Å; Y38-W42 HydrophobicContact CE1-CZ2 3.84Å; Y38-W42 AromaticContact CE1-NE1 3.51Å; Y38-W42 HydrophobicContact CG-CZ2 4.11Å; W42-F46 CarbonylContact C-O 3.55Å; W42-F46 VanDerWaalsContact CA-O 3.31Å; W42-F46 WeakPolarHBondContact CA-O 3.34Å; W42-E47 HydrophobicContact CE3-CG 4.39Å; W42-E47 HydrophobicContact CH2-CG 3.99Å; W42-E47 HydrophobicContact CZ2-CG 4.49Å; W42-E47 HydrophobicContact CZ3-CG 3.93Å
43N95.7Very high94.3Very high80 Ų8032.7 Ų32.743%0.42816%0.159SC..EExtended strand (participates in β ladder)trans-136.4107.5174.8-17322.4000110.8G45 F46 V48N43-G45 PolarHBondContact O-N 3.43Å; N43-G45 VanDerWaalsContact O-N 3.14Å; N43-F46 PolarHBondContact N-O 3.45Å; N43-F46 PolarHBondContact O-N 2.91Å; N43-V48 HydrophobicContact CB-CG2 3.54Å
44Y93.4Very high94.7Very high102 Ų10228.3 Ų28.340%0.414%0.138SC..THydrogen-bonded Turntrans47.839.4178.8-60.6-70000115.1E19 K22 A23 H24E19-Y44 HydrophobicContact CB-CE1 4.11Å; E19-Y44 VanDerWaalsContact CD-CE1 3.5Å; E19-Y44 VanDerWaalsContact CD-OH 3.3Å; E19-Y44 HydrophobicContact CG-CE1 3.95Å; E19-Y44 WeakPolarHBondContact OE1-CE1 3.27Å; E19-Y44 VanDerWaalsContact OE1-CZ 3.25Å; E19-Y44 PolarHBondContact OE1-OH 3.31Å; K22-Y44 WeakPolarHBondContact CD-O 3.42Å; K22-Y44 PolarHBondContact NZ-O 2.98Å; A23-Y44 CarbonylContact O-C 3.59Å; A23-Y44 PolarHBondContact O-N 3.38Å; H24-Y44 AromaticContact CE1-CE2 3.98Å; H24-Y44 AromaticContact ND1-CE1 3.94Å; H24-Y44 AromaticContact ND1-CE2 3.92Å; H24-Y44 AromaticContact ND1-CZ 3.87Å
45G92.8Very high95.2Very high0 Ų029.9 Ų29.90%015%0.145CC..THydrogen-bonded Turntrans95.115.317500000115.9A23 N43 L210A23-G45 PolarHBondContact O-N 3.25Å; N43-G45 PolarHBondContact O-N 3.43Å; N43-G45 VanDerWaalsContact O-N 3.14Å; G45-L210 PolarHBondContact O-N 3.38Å
46F94.1Very high95.4Very high78 Ų7828.5 Ų28.534%0.34215%0.146SC..EExtended strand (participates in β ladder)trans-126.9148.5172.9-60.8-77.5000111.3W42 N43 A209W42-F46 CarbonylContact C-O 3.55Å; W42-F46 VanDerWaalsContact CA-O 3.31Å; W42-F46 WeakPolarHBondContact CA-O 3.34Å; N43-F46 PolarHBondContact N-O 3.45Å; N43-F46 PolarHBondContact O-N 2.91Å; F46-A209 HydrophobicContact CD1-CB 4.34Å; F46-A209 HydrophobicContact CE1-CB 3.72Å
47E95.6Very high95.3Very high3 Ų328.5 Ų28.51%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-73143.9173.2-44.293.9142.300110.8Y38 W42 W64 G67 F208Y38-E47 HydrophobicContact CD1-CG 4.48Å; Y38-E47 HydrophobicContact CD2-CB 4.4Å; Y38-E47 HydrophobicContact CD2-CG 4.05Å; Y38-E47 HydrophobicContact CE1-CB 4.32Å; Y38-E47 HydrophobicContact CE1-CG 4.31Å; Y38-E47 HydrophobicContact CE2-CB 3.72Å; Y38-E47 HydrophobicContact CE2-CG 3.88Å; Y38-E47 HydrophobicContact CG-CG 4.34Å; W42-E47 HydrophobicContact CE3-CG 4.39Å; W42-E47 HydrophobicContact CH2-CG 3.99Å; W42-E47 HydrophobicContact CZ2-CG 4.49Å; W42-E47 HydrophobicContact CZ3-CG 3.93Å; E47-W64 HydrophobicContact CB-CB 3.64Å; E47-W64 HydrophobicContact CB-CD2 4.39Å; E47-W64 HydrophobicContact CB-CG 3.96Å; E47-G67 VanDerWaalsContact OE1-CA 3.29Å; E47-G67 WeakPolarHBondContact OE1-CA 3.43Å; E47-G67 WeakPolarHBondContact OE2-CA 3.35Å; E47-G67 PolarHBondContact OE2-N 3.21Å; E47-F208 WeakPolarHBondContact OE1-CB 3.28Å; E47-F208 WeakPolarHBondContact OE1-CD2 3.2Å
48V96.1Very high95.2Very high57 Ų5729.9 Ų29.935%0.34515%0.154SC..EExtended strand (participates in β ladder)trans-125.3-55.1-179.1-169.40000112.6S41 N43 Y63 W64S41-V48 PolarHBondContact O-N 3.03Å; N43-V48 HydrophobicContact CB-CG2 3.54Å; V48-Y63 WeakPolarHBondContact O-CA 3.38Å; V48-W64 PolarHBondContact O-N 2.87Å
49V97.6Very high95.2Very high18 Ų1830.3 Ų30.311%0.10916%0.156CC..EExtended strand (participates in β ladder)trans-144126.1179.6172.90000107.7Y38 S41 Y63 S416 E419Y38-V49 VanDerWaalsContact OH-C 3.27Å; Y38-V49 PolarHBondContact OH-O 3.45Å; Y38-V49 VanDerWaalsContact OH-O 3.06Å; S41-V49 PolarHBondContact N-O 3.49Å; V49-Y63 HydrophobicContact CG2-CD1 3.44Å; V49-Y63 VanDerWaalsContact CG2-CD1 3.44Å; V49-Y63 HydrophobicContact CG2-CE1 3.44Å; V49-Y63 VanDerWaalsContact CG2-CE1 3.44Å; V49-Y63 HydrophobicContact CG2-CG 4.35Å; V49-S416 WeakPolarHBondContact CG1-OG 3.19Å; V49-E419 HydrophobicContact CB-CG 4.35Å; V49-E419 HydrophobicContact CG1-CB 4.41Å; V49-E419 HydrophobicContact CG1-CG 3.81Å
50G97.1Very high95.2Very high0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans168.4174.8-177.800000114.8S39 G62 W64S39-G50 WeakPolarHBondContact O-CA 3.5Å; G50-G62 PolarHBondContact N-O 3.4Å; G50-G62 PolarHBondContact O-N 3.05Å; G50-W64 PolarHBondContact O-NE1 3.14Å
51V98Very high95.2Very high6 Ų631.8 Ų31.84%0.03616%0.164CC..EExtended strand (participates in β ladder)trans-102.3128.5-176.8-175.90000109.8Y38 S39 Y60 E61Y38-V51 CarbonylContact C-O 3.28Å; S39-V51 PolarHBondContact N-O 3.31Å; S39-V51 PolarHBondContact O-N 2.91Å; S39-V51 PolarHBondContact OG-O 3.25Å; V51-Y60 CarbonylContact C-O 3.57Å; V51-Y60 WeakPolarHBondContact CA-O 3.47Å; V51-E61 HydrophobicContact CB-CG 4.28Å; V51-E61 HydrophobicContact CG1-CG 3.75Å; V51-E61 HydrophobicContact CG2-CB 4.41Å; V51-E61 HydrophobicContact CG2-CG 3.84Å
52Y96.8Very high95.2Very high24 Ų2430.8 Ų30.89%0.09416%0.156CC..EExtended strand (participates in β ladder)trans-109.5126.2166.8-171.2-80.2000110.7E37 Y38 W54 T59 Y60 W64 F208E37-Y52 CarbonylContact O-C 3.54Å; E37-Y52 VanDerWaalsContact O-CA 3.27Å; E37-Y52 WeakPolarHBondContact O-CA 3.29Å; Y38-Y52 HydrophobicContact CD2-CD2 4.5Å; Y52-W54 AromaticContact CD1-CD2 3.76Å; Y52-W54 HydrophobicContact CD1-CD2 3.76Å; Y52-W54 AromaticContact CD1-CE2 3.69Å; Y52-W54 HydrophobicContact CD1-CE3 4.11Å; Y52-W54 HydrophobicContact CD1-CG 4.19Å; Y52-W54 HydrophobicContact CD1-CH2 4.28Å; Y52-W54 AromaticContact CD1-CZ2 3.96Å; Y52-W54 HydrophobicContact CD1-CZ2 3.96Å; Y52-W54 HydrophobicContact CD1-CZ3 4.37Å; Y52-W54 AromaticContact CE1-CD1 3.62Å; Y52-W54 AromaticContact CE1-CD2 3.8Å; Y52-W54 HydrophobicContact CE1-CD2 3.8Å; Y52-W54 AromaticContact CE1-CE2 3.64Å; Y52-W54 AromaticContact CE1-CG 3.77Å; Y52-W54 HydrophobicContact CE1-CG 3.77Å; Y52-W54 HydrophobicContact CE1-CZ2 4.26Å; Y52-W54 AromaticContact CE1-NE1 3.52Å; Y52-T59 CarbonylContact O-C 3.59Å; Y52-T59 WeakPolarHBondContact O-CA 3.13Å; Y52-Y60 PolarHBondContact N-O 2.93Å; Y52-Y60 PolarHBondContact O-N 3.49Å; Y52-W64 HydrophobicContact CD2-CH2 4.26Å; Y52-W64 HydrophobicContact CG-CH2 4.02Å; Y52-W64 HydrophobicContact CG-CZ2 4.35Å; Y52-F208 AromaticContact CE2-CE2 3.99Å; Y52-F208 HydrophobicContact CE2-CE2 3.99Å; Y52-F208 HydrophobicContact CE2-CZ 4.49Å
53T96.2Very high95.3Very high1 Ų135.3 Ų35.31%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-110.9122.9176.1-52.40000109.8G36 E37 Y441 L442G36-T53 VanDerWaalsContact CA-O 3.29Å; G36-T53 WeakPolarHBondContact CA-O 3.39Å; E37-T53 PolarHBondContact N-O 2.91Å; E37-T53 PolarHBondContact O-N 2.9Å; T53-Y441 HydrophobicContact CG2-CD2 4.12Å; T53-L442 HydrophobicContact CG2-CD2 4.02Å; T53-L442 HydrophobicContact CG2-CG 4.13Å
54W94.1Very high95.4Very high79 Ų7932.7 Ų32.730%0.29916%0.158SC..  trans-79.1157.8174.1-76-83.9000111.5Y52 S56 G57 N58Y52-W54 AromaticContact CD1-CD2 3.76Å; Y52-W54 HydrophobicContact CD1-CD2 3.76Å; Y52-W54 AromaticContact CD1-CE2 3.69Å; Y52-W54 HydrophobicContact CD1-CE3 4.11Å; Y52-W54 HydrophobicContact CD1-CG 4.19Å; Y52-W54 HydrophobicContact CD1-CH2 4.28Å; Y52-W54 AromaticContact CD1-CZ2 3.96Å; Y52-W54 HydrophobicContact CD1-CZ2 3.96Å; Y52-W54 HydrophobicContact CD1-CZ3 4.37Å; Y52-W54 AromaticContact CE1-CD1 3.62Å; Y52-W54 AromaticContact CE1-CD2 3.8Å; Y52-W54 HydrophobicContact CE1-CD2 3.8Å; Y52-W54 AromaticContact CE1-CE2 3.64Å; Y52-W54 AromaticContact CE1-CG 3.77Å; Y52-W54 HydrophobicContact CE1-CG 3.77Å; Y52-W54 HydrophobicContact CE1-CZ2 4.26Å; Y52-W54 AromaticContact CE1-NE1 3.52Å; W54-S56 PolarHBondContact O-N 2.78Å; W54-G57 WeakPolarHBondContact O-CA 3.29Å; W54-G57 PolarHBondContact O-N 2.87Å; W54-N58 HydrophobicContact CB-CB 4.35Å; W54-N58 HydrophobicContact CE3-CB 3.87Å; W54-N58 PolarHBondContact N-O 2.9Å
55P92.3Very high95.4Very high49 Ų4930.2 Ų30.232%0.31816%0.156SC..THydrogen-bonded Turntrans-56.9-16.1174.9-27.135.3000116Q35 G57 Y441Q35-P55 HydrophobicContact CB-CG 4.12Å; P55-G57 VanDerWaalsContact C-N 3.33Å; P55-Y441 HydrophobicContact CB-CD1 4.45Å; P55-Y441 HydrophobicContact CB-CE1 3.96Å; P55-Y441 HydrophobicContact CB-CE2 4.46Å; P55-Y441 HydrophobicContact CG-CE2 4.37Å
56S90.3Very high95.4Very high71 Ų7135.8 Ų35.850%0.49718%0.182SC..THydrogen-bonded Turntrans-89.58.417368.50000113.8W54 N58W54-S56 PolarHBondContact O-N 2.78Å; S56-N58 PolarHBondContact O-N 2.84Å; S56-N58 VanDerWaalsContact O-N 3.16Å; S56-N58 PolarHBondContact OG-ND2 3.28Å
57G90.6Very high95.2Very high0 Ų032.4 Ų32.40%017%0.169CC..SBendtrans68.75.2-177.100000116.1W54 P55 Y441 R445W54-G57 WeakPolarHBondContact O-CA 3.29Å; W54-G57 PolarHBondContact O-N 2.87Å; P55-G57 VanDerWaalsContact C-N 3.33Å; G57-Y441 WeakPolarHBondContact CA-O 3.3Å; G57-R445 WeakPolarHBondContact O-CD 3.42Å
58N94.1Very high95.1Very high30 Ų3035.8 Ų35.816%0.1618%0.184CC..  trans-63.1148.7166.9-66.7-31.5000109.4W54 S56 T76 K77 G78W54-N58 HydrophobicContact CB-CB 4.35Å; W54-N58 HydrophobicContact CE3-CB 3.87Å; W54-N58 PolarHBondContact N-O 2.9Å; S56-N58 PolarHBondContact O-N 2.84Å; S56-N58 VanDerWaalsContact O-N 3.16Å; S56-N58 PolarHBondContact OG-ND2 3.28Å; N58-T76 WeakPolarHBondContact CA-O 3.3Å; N58-T76 VanDerWaalsContact CB-O 3.31Å; N58-T76 WeakPolarHBondContact CB-O 3.39Å; N58-K77 WeakPolarHBondContact OD1-CA 3.31Å; N58-G78 PolarHBondContact OD1-N 2.99Å
59T96.3Very high95.1Very high9 Ų934.6 Ų34.66%0.05517%0.173CC..EExtended strand (participates in β ladder)trans-123.5153178.664.40000112.9Y52 E61 E75 T76 L442Y52-T59 CarbonylContact O-C 3.59Å; Y52-T59 WeakPolarHBondContact O-CA 3.13Å; T59-E61 VanDerWaalsContact CB-OE1 3.28Å; T59-E61 WeakPolarHBondContact CB-OE1 3.35Å; T59-E61 PolarHBondContact OG1-OE1 3.42Å; T59-E75 WeakPolarHBondContact O-CA 3.49Å; T59-T76 PolarHBondContact N-O 3.39Å; T59-T76 PolarHBondContact O-N 3Å; T59-T76 WeakPolarHBondContact OG1-CB 3.47Å; T59-T76 PolarHBondContact OG1-OG1 3.13Å; T59-L442 HydrophobicContact CG2-CD2 3.57Å
60Y97.4Very high95Very high0 Ų036.6 Ų36.60%018%0.181CC..EExtended strand (participates in β ladder)trans-130.1130.7155.7174.2-92.6000110.1V51 Y52 Y63 W64 R69 H70 V74 E75 W86V51-Y60 CarbonylContact C-O 3.57Å; V51-Y60 WeakPolarHBondContact CA-O 3.47Å; Y52-Y60 PolarHBondContact N-O 2.93Å; Y52-Y60 PolarHBondContact O-N 3.49Å; Y60-Y63 PolarHBondContact OH-O 3.31Å; Y60-W64 AromaticContact CD1-CE2 3.64Å; Y60-W64 HydrophobicContact CD1-CH2 4.13Å; Y60-W64 AromaticContact CD1-CZ2 3.37Å; Y60-W64 HydrophobicContact CD1-CZ2 3.37Å; Y60-W64 AromaticContact CD1-NE1 3.84Å; Y60-W64 HydrophobicContact CE1-CD2 4.4Å; Y60-W64 AromaticContact CE1-CE2 3.75Å; Y60-W64 AromaticContact CE1-CZ2 3.96Å; Y60-W64 HydrophobicContact CE1-CZ2 3.96Å; Y60-W64 AromaticContact CE1-NE1 3.73Å; Y60-W64 HydrophobicContact CG-CZ2 4.38Å; Y60-R69 HydrophobicContact CD1-CB 4.36Å; Y60-R69 HydrophobicContact CD1-CG 3.7Å; Y60-R69 HydrophobicContact CD2-CB 4.42Å; Y60-R69 VanDerWaalsContact CD2-CD 3.44Å; Y60-R69 HydrophobicContact CD2-CG 4.01Å; Y60-R69 HydrophobicContact CE1-CB 3.85Å; Y60-R69 HydrophobicContact CE1-CG 3.7Å; Y60-R69 HydrophobicContact CE2-CB 3.93Å; Y60-R69 HydrophobicContact CE2-CG 4.02Å; Y60-R69 VanDerWaalsContact CG-CD 3.48Å; Y60-R69 HydrophobicContact CG-CG 3.82Å; Y60-H70 PolarHBondContact OH-O 2.81Å; Y60-V74 CarbonylContact C-O 3.24Å; Y60-V74 VanDerWaalsContact CA-O 3.28Å; Y60-V74 WeakPolarHBondContact CA-O 3.34Å; Y60-V74 WeakPolarHBondContact CD2-O 3.02Å; Y60-E75 HydrophobicContact CD2-CB 4.33Å; Y60-W86 HydrophobicContact CD2-CZ2 4.24Å; Y60-W86 AromaticContact CE2-CD1 3.77Å; Y60-W86 AromaticContact CE2-CD2 3.85Å; Y60-W86 HydrophobicContact CE2-CD2 3.85Å; Y60-W86 AromaticContact CE2-CE2 3.58Å; Y60-W86 AromaticContact CE2-CG 3.95Å; Y60-W86 HydrophobicContact CE2-CG 3.95Å; Y60-W86 HydrophobicContact CE2-CZ2 4.07Å; Y60-W86 AromaticContact CE2-NE1 3.55Å
61E97.9Very high94.9Very high32 Ų3238 Ų3815%0.1520%0.196CC..EExtended strand (participates in β ladder)trans-130.8108.4-171.3-63.2156-12300107.7V51 T59 G73 V74 A413 N417V51-E61 HydrophobicContact CB-CG 4.28Å; V51-E61 HydrophobicContact CG1-CG 3.75Å; V51-E61 HydrophobicContact CG2-CB 4.41Å; V51-E61 HydrophobicContact CG2-CG 3.84Å; T59-E61 VanDerWaalsContact CB-OE1 3.28Å; T59-E61 WeakPolarHBondContact CB-OE1 3.35Å; T59-E61 PolarHBondContact OG1-OE1 3.42Å; E61-G73 CarbonylContact O-C 3.56Å; E61-G73 WeakPolarHBondContact O-CA 3.36Å; E61-V74 PolarHBondContact N-O 3.26Å; E61-V74 PolarHBondContact O-N 3.3Å; E61-A413 HydrophobicContact CB-CB 3.7Å; E61-N417 PolarHBondContact OE2-ND2 2.62Å
62G97.6Very high94.9Very high0 Ų039.8 Ų39.80%021%0.205CC..EExtended strand (participates in β ladder)trans164.9-156.3-177.200000114.6G50 W64 L72 S416G50-G62 PolarHBondContact N-O 3.4Å; G50-G62 PolarHBondContact O-N 3.05Å; G62-W64 PolarHBondContact O-NE1 2.9Å; G62-L72 WeakPolarHBondContact CA-O 3.26Å; G62-S416 WeakPolarHBondContact CA-OG 3.34Å; G62-S416 PolarHBondContact N-OG 3.32Å; G62-S416 PolarHBondContact O-OG 3.11Å
63Y97.7Very high95Very high102 Ų10238.6 Ų38.640%0.420%0.2SC..EExtended strand (participates in β ladder)trans-81150-179.6-67.8-86.4000112.8V48 V49 Y60 H70 L72 A412V48-Y63 WeakPolarHBondContact O-CA 3.38Å; V49-Y63 HydrophobicContact CG2-CD1 3.44Å; V49-Y63 VanDerWaalsContact CG2-CD1 3.44Å; V49-Y63 HydrophobicContact CG2-CE1 3.44Å; V49-Y63 VanDerWaalsContact CG2-CE1 3.44Å; V49-Y63 HydrophobicContact CG2-CG 4.35Å; Y60-Y63 PolarHBondContact OH-O 3.31Å; Y63-H70 CarbonylContact C-O 3.31Å; Y63-H70 WeakPolarHBondContact CB-O 3.28Å; Y63-H70 PolarHBondContact O-N 3.3Å; Y63-L72 HydrophobicContact CD2-CB 4.25Å; Y63-L72 WeakPolarHBondContact CD2-O 3.48Å; Y63-L72 PolarHBondContact N-O 2.83Å; Y63-A412 HydrophobicContact CD2-CB 3.89Å; Y63-A412 HydrophobicContact CE2-CB 3.59Å
64W96.8Very high95.1Very high26 Ų2638.9 Ų38.910%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-128.7154.7-178.9-65.679.4000111.4Y38 E47 V48 G50 Y52 Y60 G62 K68 R69Y38-W64 HydrophobicContact CD2-CZ2 4.2Å; Y38-W64 AromaticContact CE2-CD1 3.82Å; Y38-W64 HydrophobicContact CE2-CD2 4.03Å; Y38-W64 AromaticContact CE2-CE2 3.73Å; Y38-W64 HydrophobicContact CE2-CG 4.09Å; Y38-W64 HydrophobicContact CE2-CZ2 4.24Å; Y38-W64 AromaticContact CE2-NE1 3.61Å; E47-W64 HydrophobicContact CB-CB 3.64Å; E47-W64 HydrophobicContact CB-CD2 4.39Å; E47-W64 HydrophobicContact CB-CG 3.96Å; V48-W64 PolarHBondContact O-N 2.87Å; G50-W64 PolarHBondContact O-NE1 3.14Å; Y52-W64 HydrophobicContact CD2-CH2 4.26Å; Y52-W64 HydrophobicContact CG-CH2 4.02Å; Y52-W64 HydrophobicContact CG-CZ2 4.35Å; Y60-W64 AromaticContact CD1-CE2 3.64Å; Y60-W64 HydrophobicContact CD1-CH2 4.13Å; Y60-W64 AromaticContact CD1-CZ2 3.37Å; Y60-W64 HydrophobicContact CD1-CZ2 3.37Å; Y60-W64 AromaticContact CD1-NE1 3.84Å; Y60-W64 HydrophobicContact CE1-CD2 4.4Å; Y60-W64 AromaticContact CE1-CE2 3.75Å; Y60-W64 AromaticContact CE1-CZ2 3.96Å; Y60-W64 HydrophobicContact CE1-CZ2 3.96Å; Y60-W64 AromaticContact CE1-NE1 3.73Å; Y60-W64 HydrophobicContact CG-CZ2 4.38Å; G62-W64 PolarHBondContact O-NE1 2.9Å; W64-K68 WeakPolarHBondContact CA-O 3.32Å; W64-R69 HydrophobicContact CH2-CG 4.18Å; W64-R69 HydrophobicContact CZ3-CG 4.21Å
65S94.6Very high95.2Very high49 Ų4935.6 Ų35.634%0.34319%0.19SC..EExtended strand (participates in β ladder)trans-156.4125.2172.9-172.20000110G67 K68S65-G67 VanDerWaalsContact C-N 3.3Å; S65-G67 PolarHBondContact O-N 3.05Å; S65-K68 PolarHBondContact N-O 3.17Å; S65-K68 PolarHBondContact O-N 2.86Å
66Q91.4Very high95.3Very high117 Ų11734.3 Ų34.355%0.54718%0.181SC..THydrogen-bonded Turntrans52.145.1179-53.9177.2-5.600112.9K68Q66-K68 VanDerWaalsContact C-N 3.25Å; Q66-K68 PolarHBondContact O-N 3.12Å
67G90Very high95.3Very high8 Ų835 Ų358%0.08218%0.175CC..THydrogen-bonded Turntrans67.517.1-177.100000116.4E47 S65 G207E47-G67 VanDerWaalsContact OE1-CA 3.29Å; E47-G67 WeakPolarHBondContact OE1-CA 3.43Å; E47-G67 WeakPolarHBondContact OE2-CA 3.35Å; E47-G67 PolarHBondContact OE2-N 3.21Å; S65-G67 VanDerWaalsContact C-N 3.3Å; S65-G67 PolarHBondContact O-N 3.05Å; G67-G207 VanDerWaalsContact CA-CA 3.46Å; G67-G207 WeakPolarHBondContact O-CA 3.32Å
68K94Very high95.2Very high74 Ų7436.5 Ų36.532%0.32219%0.191SC..EExtended strand (participates in β ladder)trans-127.9143.7-179.5-62.7164.3-164.1146.60111W64 S65 Q66 H70W64-K68 WeakPolarHBondContact CA-O 3.32Å; S65-K68 PolarHBondContact N-O 3.17Å; S65-K68 PolarHBondContact O-N 2.86Å; Q66-K68 VanDerWaalsContact C-N 3.25Å; Q66-K68 PolarHBondContact O-N 3.12Å; K68-H70 PolarHBondContact O-N 3.31Å
69R95.4Very high94.7Very high31 Ų3139.1 Ų39.112%0.11720%0.202CC..EExtended strand (participates in β ladder)trans-51.9127.3168-54.5-177.8-69-171.56.4110.1Y60 W64 E75 W86 G89Y60-R69 HydrophobicContact CD1-CB 4.36Å; Y60-R69 HydrophobicContact CD1-CG 3.7Å; Y60-R69 HydrophobicContact CD2-CB 4.42Å; Y60-R69 VanDerWaalsContact CD2-CD 3.44Å; Y60-R69 HydrophobicContact CD2-CG 4.01Å; Y60-R69 HydrophobicContact CE1-CB 3.85Å; Y60-R69 HydrophobicContact CE1-CG 3.7Å; Y60-R69 HydrophobicContact CE2-CB 3.93Å; Y60-R69 HydrophobicContact CE2-CG 4.02Å; Y60-R69 VanDerWaalsContact CG-CD 3.48Å; Y60-R69 HydrophobicContact CG-CG 3.82Å; W64-R69 HydrophobicContact CH2-CG 4.18Å; W64-R69 HydrophobicContact CZ3-CG 4.21Å; R69-E75 IonicContact CZ-OE1 2.68Å; R69-E75 IonicContact NH1-OE1 3.22Å; R69-E75 PolarHBondContact NH1-OE1 3.43Å; R69-E75 IonicContact NH2-OE1 2.67Å; R69-W86 HydrophobicContact CB-CB 4.47Å; R69-W86 HydrophobicContact CB-CD2 4.32Å; R69-W86 HydrophobicContact CB-CE3 4.04Å; R69-G89 PolarHBondContact NE-O 2.81Å; R69-G89 PolarHBondContact NH2-O 2.96Å; R69-G89 PolarHBondContact O-N 2.55Å
70H95.7Very high94.4Very high61 Ų6143 Ų4328%0.28222%0.215SC..EExtended strand (participates in β ladder)trans-148.7168.7-172.8-155.795.5000111Y60 Y63 K68 L72 W86Y60-H70 PolarHBondContact OH-O 2.81Å; Y63-H70 CarbonylContact C-O 3.31Å; Y63-H70 WeakPolarHBondContact CB-O 3.28Å; Y63-H70 PolarHBondContact O-N 3.3Å; K68-H70 PolarHBondContact O-N 3.31Å; H70-L72 PolarHBondContact O-N 3.44Å; H70-W86 CarbonylContact C-O 3.56Å; H70-W86 WeakPolarHBondContact CA-O 3.48Å
71G96.5Very high94.3Very high30 Ų3044.4 Ų44.431%0.30922%0.223SC..EExtended strand (participates in β ladder)trans67.7-117.2170.400000112.3E85 W86G71-E85 CarbonylContact O-C 3.58Å; G71-E85 WeakPolarHBondContact O-CA 3.26Å; G71-W86 PolarHBondContact N-O 3.35Å; G71-W86 PolarHBondContact O-N 2.87Å
72L98.1Very high94.2Very high42 Ų4243 Ų4322%0.2222%0.216CC..EExtended strand (participates in β ladder)trans-117.8145.5175.5-64.5173.9000109.8G62 Y63 H70 G84 E85 K405 A409 A412G62-L72 WeakPolarHBondContact CA-O 3.26Å; Y63-L72 HydrophobicContact CD2-CB 4.25Å; Y63-L72 WeakPolarHBondContact CD2-O 3.48Å; Y63-L72 PolarHBondContact N-O 2.83Å; H70-L72 PolarHBondContact O-N 3.44Å; L72-G84 WeakPolarHBondContact CA-O 3.34Å; L72-E85 HydrophobicContact CD2-CG 4.1Å; L72-K405 HydrophobicContact CD2-CD 4.13Å; L72-A409 HydrophobicContact CB-CB 4.31Å; L72-A412 HydrophobicContact CB-CB 4.03Å
73G97.4Very high94.2Very high0 Ų046.3 Ų46.30%023%0.228CC..EExtended strand (participates in β ladder)trans177166.7175.400000114.7E61 G84 W86E61-G73 CarbonylContact O-C 3.56Å; E61-G73 WeakPolarHBondContact O-CA 3.36Å; G73-G84 PolarHBondContact N-O 2.98Å; G73-G84 PolarHBondContact O-N 3.45Å; G73-W86 PolarHBondContact O-NE1 3.13Å
74V98.1Very high94.2Very high7 Ų741.4 Ų41.44%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-106.6135.9-179.5179.90000109.5Y60 E61 I81 Y82 R83 A409 A413Y60-V74 CarbonylContact C-O 3.24Å; Y60-V74 VanDerWaalsContact CA-O 3.28Å; Y60-V74 WeakPolarHBondContact CA-O 3.34Å; Y60-V74 WeakPolarHBondContact CD2-O 3.02Å; E61-V74 PolarHBondContact N-O 3.26Å; E61-V74 PolarHBondContact O-N 3.3Å; V74-I81 HydrophobicContact CG1-CG2 3.63Å; V74-Y82 CarbonylContact C-O 3.58Å; V74-Y82 VanDerWaalsContact CA-O 3.26Å; V74-Y82 WeakPolarHBondContact CA-O 3.34Å; V74-R83 HydrophobicContact CG1-CG 4.2Å; V74-R83 HydrophobicContact CG2-CB 4.26Å; V74-R83 HydrophobicContact CG2-CG 3.98Å; V74-A409 HydrophobicContact CG2-CB 4.44Å; V74-A413 HydrophobicContact CB-CB 4.08Å; V74-A413 HydrophobicContact CG2-CB 3.7Å
75E96.4Very high94.2Very high9 Ų941.9 Ų41.94%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-117.2122.5169.3173.6-169.4-116.100108.8T59 Y60 R69 K77 I81 Y82 W86 K91T59-E75 WeakPolarHBondContact O-CA 3.49Å; Y60-E75 HydrophobicContact CD2-CB 4.33Å; R69-E75 IonicContact CZ-OE1 2.68Å; R69-E75 IonicContact NH1-OE1 3.22Å; R69-E75 PolarHBondContact NH1-OE1 3.43Å; R69-E75 IonicContact NH2-OE1 2.67Å; E75-K77 HydrophobicContact CG-CB 4.25Å; E75-I81 CarbonylContact O-C 3.6Å; E75-I81 WeakPolarHBondContact O-CA 3.3Å; E75-Y82 PolarHBondContact N-O 3.01Å; E75-Y82 PolarHBondContact O-N 3.46Å; E75-W86 HydrophobicContact CB-CH2 3.92Å; E75-W86 HydrophobicContact CB-CZ2 3.56Å; E75-W86 HydrophobicContact CG-CH2 4.37Å; E75-W86 HydrophobicContact CG-CZ2 4.49Å; E75-K91 WeakPolarHBondContact OE2-CE 3.25Å; E75-K91 IonicContact OE2-NZ 3.15Å; E75-K91 PolarHBondContact OE2-NZ 3.03Å
76T95Very high94.2Very high23 Ų2339.6 Ų39.614%0.14120%0.197CC..EExtended strand (participates in β ladder)trans-104.3117.7170.9-54.90000108.6N58 T59 I81N58-T76 WeakPolarHBondContact CA-O 3.3Å; N58-T76 VanDerWaalsContact CB-O 3.31Å; N58-T76 WeakPolarHBondContact CB-O 3.39Å; T59-T76 PolarHBondContact N-O 3.39Å; T59-T76 PolarHBondContact O-N 3Å; T59-T76 WeakPolarHBondContact OG1-CB 3.47Å; T59-T76 PolarHBondContact OG1-OG1 3.13Å; T76-I81 HydrophobicContact CG2-CG1 4.24Å
77K90.6Very high94.3Very high86 Ų8637.4 Ų37.437%0.37419%0.191SC..  trans-139.893.6-172.1-177.5168176.9162.80111.6N58 E75 W80 S171N58-K77 WeakPolarHBondContact OD1-CA 3.31Å; E75-K77 HydrophobicContact CG-CB 4.25Å; K77-W80 PolarHBondContact N-O 3.49Å; K77-W80 PolarHBondContact O-N 3.29Å; K77-S171 PolarHBondContact NZ-O 3.33Å
78G87.9Confident94.3Very high31 Ų3142.2 Ų42.232%0.3221%0.211SC..SBendtrans55-146.4-162.500000110.5N58 W80N58-G78 PolarHBondContact OD1-N 2.99Å; G78-W80 PolarHBondContact O-N 3.36Å
79H84.9Confident94.2Very high84 Ų8439.4 Ų39.439%0.38920%0.204SC..SBendtrans-71.627.5177.4-24.7-71.3000114.6S99 V100 E449 E452H79-S99 CarbonylContact O-C 3.55Å; H79-S99 WeakPolarHBondContact O-CA 3.3Å; H79-V100 HydrophobicContact CB-CB 4.28Å; H79-V100 PolarHBondContact O-N 3.15Å; H79-E449 IonicContact CE1-OE1 2.67Å; H79-E449 IonicContact ND1-OE1 3.8Å; H79-E449 PolarHBondContact ND1-OE1 2.93Å; H79-E452 IonicContact CE1-OE2 2.67Å
80W89.7Confident93.9Very high90 Ų9043.4 Ų43.434%0.34122%0.222SC..EExtended strand (participates in β ladder)trans-123.9125.1176.7-62.6104.7000111.5K77 G78 R97 S99 L166K77-W80 PolarHBondContact N-O 3.49Å; K77-W80 PolarHBondContact O-N 3.29Å; G78-W80 PolarHBondContact O-N 3.36Å; W80-R97 HydrophobicContact CE3-CG 3.91Å; W80-S99 VanDerWaalsContact CZ3-CB 3.4Å; W80-L166 HydrophobicContact CH2-CD2 3.52Å; W80-L166 HydrophobicContact CZ3-CD1 3.82Å; W80-L166 HydrophobicContact CZ3-CD2 3.44Å; W80-L166 VanDerWaalsContact CZ3-CD2 3.44Å; W80-L166 HydrophobicContact CZ3-CG 4.28Å
81I95.1Very high93.7Very high31 Ų3141.4 Ų41.416%0.15921%0.212CC..EExtended strand (participates in β ladder)trans-110.4129.5169.3-58.9174.2000108.5V74 E75 T76 R83 R97 V98 V100V74-I81 HydrophobicContact CG1-CG2 3.63Å; E75-I81 CarbonylContact O-C 3.6Å; E75-I81 WeakPolarHBondContact O-CA 3.3Å; T76-I81 HydrophobicContact CG2-CG1 4.24Å; I81-R83 HydrophobicContact CG2-CG 3.84Å; I81-R97 CarbonylContact O-C 3.59Å; I81-R97 VanDerWaalsContact O-CA 3.28Å; I81-R97 WeakPolarHBondContact O-CA 3.44Å; I81-V98 PolarHBondContact N-O 2.97Å; I81-V98 PolarHBondContact O-N 2.74Å; I81-V100 HydrophobicContact CD1-CG2 3.83Å; I81-V100 HydrophobicContact CG1-CG2 3.82Å
82Y96.3Very high93.5Very high2 Ų240.3 Ų40.31%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-112.3131.5167.5173.9-88.1000109.9V74 E75 E85 W86 K91 Y94 V96 R97 W110V74-Y82 CarbonylContact C-O 3.58Å; V74-Y82 VanDerWaalsContact CA-O 3.26Å; V74-Y82 WeakPolarHBondContact CA-O 3.34Å; E75-Y82 PolarHBondContact N-O 3.01Å; E75-Y82 PolarHBondContact O-N 3.46Å; Y82-E85 PolarHBondContact OH-O 2.93Å; Y82-W86 AromaticContact CD1-CE2 3.78Å; Y82-W86 HydrophobicContact CD1-CH2 4.36Å; Y82-W86 AromaticContact CD1-CZ2 3.45Å; Y82-W86 HydrophobicContact CD1-CZ2 3.45Å; Y82-W86 VanDerWaalsContact CD1-CZ2 3.45Å; Y82-W86 AromaticContact CD1-NE1 3.83Å; Y82-W86 AromaticContact CE1-CE2 3.73Å; Y82-W86 AromaticContact CE1-CZ2 3.82Å; Y82-W86 HydrophobicContact CE1-CZ2 3.82Å; Y82-W86 AromaticContact CE1-NE1 3.65Å; Y82-W86 HydrophobicContact CG-CZ2 4.45Å; Y82-K91 HydrophobicContact CD1-CD 4.06Å; Y82-K91 HydrophobicContact CD1-CG 4.08Å; Y82-K91 HydrophobicContact CD2-CD 3.77Å; Y82-K91 HydrophobicContact CD2-CG 4.45Å; Y82-K91 HydrophobicContact CE1-CB 4.21Å; Y82-K91 HydrophobicContact CE1-CD 4.12Å; Y82-K91 HydrophobicContact CE1-CG 3.76Å; Y82-K91 HydrophobicContact CE2-CB 4.33Å; Y82-K91 HydrophobicContact CE2-CD 3.83Å; Y82-K91 HydrophobicContact CE2-CG 4.17Å; Y82-K91 HydrophobicContact CG-CD 3.87Å; Y82-K91 HydrophobicContact CG-CG 4.4Å; Y82-Y94 PolarHBondContact OH-O 2.81Å; Y82-V96 CarbonylContact C-O 3.55Å; Y82-V96 WeakPolarHBondContact CA-O 3.39Å; Y82-V96 WeakPolarHBondContact CD2-O 3.46Å; Y82-R97 HydrophobicContact CD2-CB 4.44Å; Y82-W110 HydrophobicContact CD2-CH2 4.11Å; Y82-W110 AromaticContact CD2-CZ2 3.84Å; Y82-W110 HydrophobicContact CD2-CZ2 3.84Å; Y82-W110 HydrophobicContact CE2-CD2 4.07Å; Y82-W110 AromaticContact CE2-CE2 3.62Å; Y82-W110 HydrophobicContact CE2-CG 4.49Å; Y82-W110 HydrophobicContact CE2-CH2 4.24Å; Y82-W110 AromaticContact CE2-CZ2 3.71Å; Y82-W110 HydrophobicContact CE2-CZ2 3.71Å; Y82-W110 AromaticContact CE2-NE1 3.85Å
83R97.6Very high93.3Very high69 Ų6946.2 Ų46.226%0.2622%0.221SC..EExtended strand (participates in β ladder)trans-127119.7-179.8-49.5-172.7-177.4-163.9-1108.8V74 I81 G95 V96 S406 A409 E410V74-R83 HydrophobicContact CG1-CG 4.2Å; V74-R83 HydrophobicContact CG2-CB 4.26Å; V74-R83 HydrophobicContact CG2-CG 3.98Å; I81-R83 HydrophobicContact CG2-CG 3.84Å; R83-G95 CarbonylContact O-C 3.57Å; R83-G95 VanDerWaalsContact O-CA 3.29Å; R83-G95 WeakPolarHBondContact O-CA 3.48Å; R83-V96 PolarHBondContact N-O 2.81Å; R83-V96 PolarHBondContact O-N 2.94Å; R83-S406 VanDerWaalsContact CB-OG 3.31Å; R83-S406 WeakPolarHBondContact CB-OG 3.37Å; R83-A409 HydrophobicContact CB-CB 4.42Å; R83-E410 WeakPolarHBondContact CD-OE2 3.34Å; R83-E410 IonicContact CZ-OE1 3.63Å; R83-E410 IonicContact CZ-OE2 3.6Å; R83-E410 IonicContact NE-OE2 2.68Å; R83-E410 PolarHBondContact NE-OE2 2.99Å; R83-E410 IonicContact NH1-OE1 3.72Å; R83-E410 PolarHBondContact NH1-OE1 3.38Å; R83-E410 IonicContact NH1-OE2 2.73Å; R83-E410 PolarHBondContact NH1-OE2 3.29Å; R83-E410 IonicContact NH2-OE1 2.96Å
84G96.9Very high93.3Very high0 Ų047.4 Ų47.40%023%0.225CC..EExtended strand (participates in β ladder)trans161.9-148.9178.600000115.1L72 G73 A409L72-G84 WeakPolarHBondContact CA-O 3.34Å; G73-G84 PolarHBondContact N-O 2.98Å; G73-G84 PolarHBondContact O-N 3.45Å; G84-A409 VanDerWaalsContact N-CB 3.32Å
85E96.4Very high93.2Very high35 Ų3547.1 Ų47.116%0.16422%0.223CC..EExtended strand (participates in β ladder)trans-77.5149.7-177.4-63.6-177.5145.400112.9G71 L72 Y82 G92 R93 Y94 K405G71-E85 CarbonylContact O-C 3.58Å; G71-E85 WeakPolarHBondContact O-CA 3.26Å; L72-E85 HydrophobicContact CD2-CG 4.1Å; Y82-E85 PolarHBondContact OH-O 2.93Å; E85-G92 PolarHBondContact O-N 3.08Å; E85-R93 PolarHBondContact OE2-N 2.93Å; E85-R93 VanDerWaalsContact OE2-N 3.15Å; E85-Y94 PolarHBondContact N-O 3.47Å; E85-Y94 WeakPolarHBondContact OE2-CD2 3.4Å; E85-Y94 PolarHBondContact OE2-N 2.87Å; E85-K405 HydrophobicContact CG-CB 4.47Å; E85-K405 HydrophobicContact CG-CD 3.88Å; E85-K405 HydrophobicContact CG-CG 4.35Å; E85-K405 VanDerWaalsContact OE1-CE 3.24Å; E85-K405 WeakPolarHBondContact OE1-CE 3.37Å; E85-K405 IonicContact OE1-NZ 3.05Å; E85-K405 PolarHBondContact OE1-NZ 3.25Å
86W95.1Very high93.2Very high2 Ų247.1 Ų47.11%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-136.2138.3175.9-69.687.6000111.3Y60 R69 H70 G71 G73 E75 Y82 F90 K91Y60-W86 HydrophobicContact CD2-CZ2 4.24Å; Y60-W86 AromaticContact CE2-CD1 3.77Å; Y60-W86 AromaticContact CE2-CD2 3.85Å; Y60-W86 HydrophobicContact CE2-CD2 3.85Å; Y60-W86 AromaticContact CE2-CE2 3.58Å; Y60-W86 AromaticContact CE2-CG 3.95Å; Y60-W86 HydrophobicContact CE2-CG 3.95Å; Y60-W86 HydrophobicContact CE2-CZ2 4.07Å; Y60-W86 AromaticContact CE2-NE1 3.55Å; R69-W86 HydrophobicContact CB-CB 4.47Å; R69-W86 HydrophobicContact CB-CD2 4.32Å; R69-W86 HydrophobicContact CB-CE3 4.04Å; H70-W86 CarbonylContact C-O 3.56Å; H70-W86 WeakPolarHBondContact CA-O 3.48Å; G71-W86 PolarHBondContact N-O 3.35Å; G71-W86 PolarHBondContact O-N 2.87Å; G73-W86 PolarHBondContact O-NE1 3.13Å; E75-W86 HydrophobicContact CB-CH2 3.92Å; E75-W86 HydrophobicContact CB-CZ2 3.56Å; E75-W86 HydrophobicContact CG-CH2 4.37Å; E75-W86 HydrophobicContact CG-CZ2 4.49Å; Y82-W86 AromaticContact CD1-CE2 3.78Å; Y82-W86 HydrophobicContact CD1-CH2 4.36Å; Y82-W86 AromaticContact CD1-CZ2 3.45Å; Y82-W86 HydrophobicContact CD1-CZ2 3.45Å; Y82-W86 VanDerWaalsContact CD1-CZ2 3.45Å; Y82-W86 AromaticContact CD1-NE1 3.83Å; Y82-W86 AromaticContact CE1-CE2 3.73Å; Y82-W86 AromaticContact CE1-CZ2 3.82Å; Y82-W86 HydrophobicContact CE1-CZ2 3.82Å; Y82-W86 AromaticContact CE1-NE1 3.65Å; Y82-W86 HydrophobicContact CG-CZ2 4.45Å; W86-F90 CarbonylContact C-O 3.55Å; W86-F90 WeakPolarHBondContact CA-O 3.48Å; W86-F90 VanDerWaalsContact CE3-C 3.5Å; W86-K91 HydrophobicContact CE3-CG 4.19Å; W86-K91 HydrophobicContact CH2-CD 4.21Å; W86-K91 VanDerWaalsContact CH2-CE 3.43Å; W86-K91 HydrophobicContact CH2-CG 3.55Å; W86-K91 HydrophobicContact CZ2-CG 3.99Å; W86-K91 HydrophobicContact CZ3-CG 3.63Å
87T92.9Very high93.2Very high70 Ų7047 Ų4743%0.42922%0.221SC..EExtended strand (participates in β ladder)trans-141.6112.5-176.3-63.60000109.5G89 F90T87-G89 PolarHBondContact O-N 2.96Å; T87-F90 PolarHBondContact N-O 3.09Å; T87-F90 PolarHBondContact O-N 2.97Å
88H90Very high93.4Very high109 Ų10945.2 Ų45.251%0.50522%0.217SC..THydrogen-bonded Turntrans52.435.1178.3-58.899.4000114.7
89G91.3Very high93.5Very high16 Ų1644.2 Ų44.217%0.16521%0.205CC..THydrogen-bonded Turntrans94.2-13.2-178.800000115.3R69 T87R69-G89 PolarHBondContact NE-O 2.81Å; R69-G89 PolarHBondContact NH2-O 2.96Å; R69-G89 PolarHBondContact O-N 2.55Å; T87-G89 PolarHBondContact O-N 2.96Å
90F90.3Very high93.5Very high114 Ų11444 Ų4450%0.521%0.21SC..EExtended strand (participates in β ladder)trans-99157.5177.9-58.2-83.6000111.8W86 T87 N172W86-F90 CarbonylContact C-O 3.55Å; W86-F90 WeakPolarHBondContact CA-O 3.48Å; W86-F90 VanDerWaalsContact CE3-C 3.5Å; T87-F90 PolarHBondContact N-O 3.09Å; T87-F90 PolarHBondContact O-N 2.97Å; F90-N172 HydrophobicContact CD1-CB 4.35Å; F90-N172 HydrophobicContact CE1-CB 4.47Å
91K90.9Very high93Very high20 Ų2043.2 Ų43.29%0.08723%0.229CC..EExtended strand (participates in β ladder)trans-64.5132.3172.2-68.8174.8177169.70109.4E75 Y82 W86E75-K91 WeakPolarHBondContact OE2-CE 3.25Å; E75-K91 IonicContact OE2-NZ 3.15Å; E75-K91 PolarHBondContact OE2-NZ 3.03Å; Y82-K91 HydrophobicContact CD1-CD 4.06Å; Y82-K91 HydrophobicContact CD1-CG 4.08Å; Y82-K91 HydrophobicContact CD2-CD 3.77Å; Y82-K91 HydrophobicContact CD2-CG 4.45Å; Y82-K91 HydrophobicContact CE1-CB 4.21Å; Y82-K91 HydrophobicContact CE1-CD 4.12Å; Y82-K91 HydrophobicContact CE1-CG 3.76Å; Y82-K91 HydrophobicContact CE2-CB 4.33Å; Y82-K91 HydrophobicContact CE2-CD 3.83Å; Y82-K91 HydrophobicContact CE2-CG 4.17Å; Y82-K91 HydrophobicContact CG-CD 3.87Å; Y82-K91 HydrophobicContact CG-CG 4.4Å; W86-K91 HydrophobicContact CE3-CG 4.19Å; W86-K91 HydrophobicContact CH2-CD 4.21Å; W86-K91 VanDerWaalsContact CH2-CE 3.43Å; W86-K91 HydrophobicContact CH2-CG 3.55Å; W86-K91 HydrophobicContact CZ2-CG 3.99Å; W86-K91 HydrophobicContact CZ3-CG 3.63Å
92G92.2Very high92.3Very high7 Ų743.7 Ų43.77%0.07224%0.236CC..EExtended strand (participates in β ladder)trans-75.1-161.6-176.500000112.7E85 W110E85-G92 PolarHBondContact O-N 3.08Å; G92-W110 WeakPolarHBondContact O-CB 3.45Å
93R94.6Very high91.5Very high166 Ų16646 Ų4663%0.62626%0.26SS*.EExtended strand (participates in β ladder)trans-75.1-35.9-175.6-178.6172.7-66.1-153.91.1112.1E85 T109 W110E85-R93 PolarHBondContact OE2-N 2.93Å; E85-R93 VanDerWaalsContact OE2-N 3.15Å; R93-T109 HydrophobicContact CG-CG2 4.45Å; R93-T109 CarbonylContact O-C 3.6Å; R93-T109 VanDerWaalsContact O-CA 3.26Å; R93-T109 WeakPolarHBondContact O-CA 3.47Å; R93-W110 PolarHBondContact O-N 3.05Å
94Y96.8Very high91.1Very high25 Ų2542.8 Ų42.810%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-122.5138.6-173.9-61.8-77.9000112.2Y82 E85 T109 R398 H401 A402Y82-Y94 PolarHBondContact OH-O 2.81Å; E85-Y94 PolarHBondContact N-O 3.47Å; E85-Y94 WeakPolarHBondContact OE2-CD2 3.4Å; E85-Y94 PolarHBondContact OE2-N 2.87Å; Y94-T109 HydrophobicContact CD1-CG2 3.78Å; Y94-T109 HydrophobicContact CE1-CG2 3.49Å; Y94-T109 VanDerWaalsContact CE1-CG2 3.49Å; Y94-R398 PolarHBondContact OH-NH1 2.85Å; Y94-H401 AromaticContact CD1-CD2 3.75Å; Y94-H401 AromaticContact CD2-CD2 3.57Å; Y94-H401 AromaticContact CD2-NE2 3.85Å; Y94-H401 AromaticContact CE1-CD2 3.75Å; Y94-H401 AromaticContact CE2-CD2 3.56Å; Y94-H401 AromaticContact CE2-NE2 3.76Å; Y94-H401 AromaticContact CG-CD2 3.65Å; Y94-H401 AromaticContact CZ-CD2 3.64Å; Y94-A402 HydrophobicContact CD1-CB 4.49Å
95G96.3Very high90.9Very high0 Ų046.2 Ų46.20%026%0.263CS..EExtended strand (participates in β ladder)trans176.7171.2172.200000112.8R83 G108 W110R83-G95 CarbonylContact O-C 3.57Å; R83-G95 VanDerWaalsContact O-CA 3.29Å; R83-G95 WeakPolarHBondContact O-CA 3.48Å; G95-G108 PolarHBondContact N-O 2.85Å; G95-G108 PolarHBondContact O-N 2.77Å; G95-W110 PolarHBondContact O-NE1 2.84Å
96V97.2Very high90.9Very high10 Ų1044.5 Ų44.56%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-111.8140.9178177.10000108.7Y82 R83 V98 Y106 E107Y82-V96 CarbonylContact C-O 3.55Å; Y82-V96 WeakPolarHBondContact CA-O 3.39Å; Y82-V96 WeakPolarHBondContact CD2-O 3.46Å; R83-V96 PolarHBondContact N-O 2.81Å; R83-V96 PolarHBondContact O-N 2.94Å; V96-V98 HydrophobicContact CG1-CG2 3.84Å; V96-Y106 CarbonylContact C-O 3.56Å; V96-Y106 VanDerWaalsContact CA-O 3.26Å; V96-Y106 WeakPolarHBondContact CA-O 3.37Å; V96-E107 HydrophobicContact CB-CG 4.49Å; V96-E107 HydrophobicContact CG1-CG 3.94Å; V96-E107 HydrophobicContact CG2-CB 4.16Å; V96-E107 HydrophobicContact CG2-CG 3.9Å
97R95.1Very high91Very high21 Ų2145.5 Ų45.58%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-119.6137.9164.2173.8174.444.4157.6-15.4109.3W80 I81 Y82 K105 Y106 W110 L166 R167W80-R97 HydrophobicContact CE3-CG 3.91Å; I81-R97 CarbonylContact O-C 3.59Å; I81-R97 VanDerWaalsContact O-CA 3.28Å; I81-R97 WeakPolarHBondContact O-CA 3.44Å; Y82-R97 HydrophobicContact CD2-CB 4.44Å; R97-K105 CarbonylContact O-C 3.6Å; R97-K105 VanDerWaalsContact O-CA 3.25Å; R97-K105 WeakPolarHBondContact O-CA 3.37Å; R97-Y106 PolarHBondContact N-O 3.45Å; R97-Y106 PolarHBondContact O-N 3.29Å; R97-W110 HydrophobicContact CB-CH2 3.79Å; R97-W110 HydrophobicContact CB-CZ2 3.83Å; R97-L166 HydrophobicContact CB-CD1 4.22Å; R97-L166 HydrophobicContact CG-CD1 3.87Å; R97-L166 PolarHBondContact NH2-O 2.87Å; R97-R167 PolarHBondContact NH1-O 2.73Å
98V93.9Very high91.2Very high48 Ų4842.2 Ų42.229%0.29124%0.239SC..EExtended strand (participates in β ladder)trans-128.9140.9178.7-169.90000109I81 V96 K105I81-V98 PolarHBondContact N-O 2.97Å; I81-V98 PolarHBondContact O-N 2.74Å; V96-V98 HydrophobicContact CG1-CG2 3.84Å; V98-K105 HydrophobicContact CG2-CB 4.33Å
99S89.6Confident91.5Very high9 Ų937.8 Ų37.86%0.06322%0.22CC..EExtended strand (participates in β ladder)trans-82.7130.7165.1-170.40000109.7H79 W80 S102 A104H79-S99 CarbonylContact O-C 3.55Å; H79-S99 WeakPolarHBondContact O-CA 3.3Å; W80-S99 VanDerWaalsContact CZ3-CB 3.4Å; S99-S102 WeakPolarHBondContact CB-OG 3.47Å; S99-S102 PolarHBondContact OG-N 2.86Å; S99-S102 PolarHBondContact OG-OG 3.37Å; S99-A104 WeakPolarHBondContact CB-O 3.27Å; S99-A104 PolarHBondContact N-O 3.45Å
100V84.5Confident91.5Very high81 Ų8137.6 Ų37.649%0.49121%0.214SC..THydrogen-bonded Turntrans-66.9-50.2-179.2-1790000110.9H79 I81H79-V100 HydrophobicContact CB-CB 4.28Å; H79-V100 PolarHBondContact O-N 3.15Å; I81-V100 HydrophobicContact CD1-CG2 3.83Å; I81-V100 HydrophobicContact CG1-CG2 3.82Å
101G80Confident91.5Very high73 Ų7335.9 Ų35.975%0.75321%0.21SC*.THydrogen-bonded Turntrans-85.4-38.1-179.200000115.2
102S80.9Confident91.3Very high41 Ų4141.5 Ų41.529%0.28724%0.241SC..THydrogen-bonded Turntrans-93.41-169.273.70000115.8S99 A104 A124S99-S102 WeakPolarHBondContact CB-OG 3.47Å; S99-S102 PolarHBondContact OG-N 2.86Å; S99-S102 PolarHBondContact OG-OG 3.37Å; S102-A104 PolarHBondContact O-N 3.17Å; S102-A124 VanDerWaalsContact O-CA 3.32Å; S102-A124 WeakPolarHBondContact O-CA 3.17Å; S102-A124 VanDerWaalsContact O-CB 3.29Å; S102-A124 WeakPolarHBondContact O-CB 3.29Å
103G80.1Confident90.9Very high51 Ų5141.3 Ų41.353%0.52624%0.24SC..  trans65.5-16.7-177.800000116.2K105G103-K105 PolarHBondContact O-N 3.39Å
104A88.1Confident90.6Very high0 Ų035 Ų350%022%0.218CC..  trans-59.8133.8-178.700000111.6S99 S102 T122 A124 T164 L166S99-A104 WeakPolarHBondContact CB-O 3.27Å; S99-A104 PolarHBondContact N-O 3.45Å; S102-A104 PolarHBondContact O-N 3.17Å; A104-T122 CarbonylContact C-O 3.57Å; A104-T122 WeakPolarHBondContact CA-O 3.33Å; A104-A124 HydrophobicContact CB-CB 4.15Å; A104-T164 HydrophobicContact CB-CG2 4.27Å; A104-L166 HydrophobicContact CB-CD2 3.5Å; A104-L166 HydrophobicContact CB-CG 4.42Å
105K93.8Very high90.3Very high72 Ų7233.9 Ų33.931%0.31321%0.214SC..EExtended strand (participates in β ladder)trans-138.9156.4-173.260.1164.9-175.8163.50113.1R97 V98 G103 E107 T122R97-K105 CarbonylContact O-C 3.6Å; R97-K105 VanDerWaalsContact O-CA 3.25Å; R97-K105 WeakPolarHBondContact O-CA 3.37Å; V98-K105 HydrophobicContact CG2-CB 4.33Å; G103-K105 PolarHBondContact O-N 3.39Å; K105-E107 WeakPolarHBondContact CE-OE2 3.41Å; K105-E107 IonicContact NZ-OE2 3.79Å; K105-E107 PolarHBondContact NZ-OE2 2.93Å; K105-T122 WeakPolarHBondContact CE-OG1 3.34Å; K105-T122 PolarHBondContact N-O 3.17Å; K105-T122 PolarHBondContact O-N 3.14Å
106Y95.8Very high90.2Very high0 Ų035.9 Ų35.90%022%0.224CC..EExtended strand (participates in β ladder)trans-135.5130.3170.8175.2-92.2000110.1V96 R97 T109 W110 Q115 T120 E121 F133V96-Y106 CarbonylContact C-O 3.56Å; V96-Y106 VanDerWaalsContact CA-O 3.26Å; V96-Y106 WeakPolarHBondContact CA-O 3.37Å; R97-Y106 PolarHBondContact N-O 3.45Å; R97-Y106 PolarHBondContact O-N 3.29Å; Y106-T109 PolarHBondContact OH-O 2.96Å; Y106-T109 VanDerWaalsContact OH-O 3.11Å; Y106-W110 AromaticContact CD1-CE2 3.8Å; Y106-W110 HydrophobicContact CD1-CH2 4.34Å; Y106-W110 AromaticContact CD1-CZ2 3.58Å; Y106-W110 HydrophobicContact CD1-CZ2 3.58Å; Y106-W110 AromaticContact CD1-NE1 3.98Å; Y106-W110 HydrophobicContact CE1-CD2 4.45Å; Y106-W110 AromaticContact CE1-CE2 3.81Å; Y106-W110 HydrophobicContact CE1-CZ2 4.08Å; Y106-W110 AromaticContact CE1-NE1 3.74Å; Y106-Q115 HydrophobicContact CD1-CG 3.9Å; Y106-Q115 HydrophobicContact CD2-CG 4.12Å; Y106-Q115 HydrophobicContact CE1-CB 4.21Å; Y106-Q115 HydrophobicContact CE1-CG 3.74Å; Y106-Q115 HydrophobicContact CE2-CB 4.13Å; Y106-Q115 HydrophobicContact CE2-CG 3.95Å; Y106-Q115 HydrophobicContact CG-CG 4.08Å; Y106-T120 WeakPolarHBondContact CA-O 3.44Å; Y106-E121 HydrophobicContact CD2-CB 4.26Å; Y106-F133 HydrophobicContact CD2-CE1 4.36Å; Y106-F133 HydrophobicContact CD2-CZ 4.14Å; Y106-F133 HydrophobicContact CE2-CD1 4.16Å; Y106-F133 AromaticContact CE2-CD2 3.95Å; Y106-F133 HydrophobicContact CE2-CD2 3.95Å; Y106-F133 AromaticContact CE2-CE1 3.92Å; Y106-F133 HydrophobicContact CE2-CE1 3.92Å; Y106-F133 AromaticContact CE2-CE2 3.7Å; Y106-F133 HydrophobicContact CE2-CE2 3.7Å; Y106-F133 HydrophobicContact CE2-CG 4.18Å; Y106-F133 AromaticContact CE2-CZ 3.68Å; Y106-F133 HydrophobicContact CE2-CZ 3.68Å
107E97.1Very high90.1Very high23 Ų2336.6 Ų36.611%0.10723%0.234CC..EExtended strand (participates in β ladder)trans-126.8115.2-179.7-54.917867.300107.8V96 K105 G119 T120 T399V96-E107 HydrophobicContact CB-CG 4.49Å; V96-E107 HydrophobicContact CG1-CG 3.94Å; V96-E107 HydrophobicContact CG2-CB 4.16Å; V96-E107 HydrophobicContact CG2-CG 3.9Å; K105-E107 WeakPolarHBondContact CE-OE2 3.41Å; K105-E107 IonicContact NZ-OE2 3.79Å; K105-E107 PolarHBondContact NZ-OE2 2.93Å; E107-G119 CarbonylContact O-C 3.54Å; E107-G119 VanDerWaalsContact O-CA 3.3Å; E107-G119 WeakPolarHBondContact O-CA 3.36Å; E107-T120 PolarHBondContact N-O 3.4Å; E107-T120 PolarHBondContact O-N 3.07Å; E107-T399 HydrophobicContact CB-CG2 3.68Å; E107-T399 HydrophobicContact CG-CG2 4.5Å; E107-T399 PolarHBondContact O-OG1 3.32Å; E107-T399 VanDerWaalsContact O-OG1 3.08Å
108G96.4Very high90.3Very high0 Ų038 Ų380%024%0.24CC..EExtended strand (participates in β ladder)trans166-154.3-175.600000115.9G95 W110G95-G108 PolarHBondContact N-O 2.85Å; G95-G108 PolarHBondContact O-N 2.77Å; G108-W110 VanDerWaalsContact O-CD1 3.31Å
109T96.1Very high90.4Very high16 Ų1635.8 Ų35.810%0.09823%0.226CC..EExtended strand (participates in β ladder)trans-94.1146.6-178.9560000114.2R93 Y94 Y106 D116 Y118 R398R93-T109 HydrophobicContact CG-CG2 4.45Å; R93-T109 CarbonylContact O-C 3.6Å; R93-T109 VanDerWaalsContact O-CA 3.26Å; R93-T109 WeakPolarHBondContact O-CA 3.47Å; Y94-T109 HydrophobicContact CD1-CG2 3.78Å; Y94-T109 HydrophobicContact CE1-CG2 3.49Å; Y94-T109 VanDerWaalsContact CE1-CG2 3.49Å; Y106-T109 PolarHBondContact OH-O 2.96Å; Y106-T109 VanDerWaalsContact OH-O 3.11Å; T109-D116 CarbonylContact C-O 3.55Å; T109-D116 WeakPolarHBondContact CB-O 3.46Å; T109-D116 PolarHBondContact O-N 2.8Å; T109-D116 VanDerWaalsContact O-N 3.13Å; T109-D116 VanDerWaalsContact O-O 3.08Å; T109-D116 PolarHBondContact OG1-O 3.13Å; T109-Y118 PolarHBondContact N-O 3.16Å; T109-Y118 PolarHBondContact OG1-N 3.35Å; T109-Y118 PolarHBondContact OG1-O 2.86Å; T109-Y118 VanDerWaalsContact OG1-O 3.12Å; T109-R398 HydrophobicContact CG2-CB 4.47Å
110W92.8Very high90.8Very high13 Ų1336 Ų365%0.04923%0.227CC..EExtended strand (participates in β ladder)trans-129.1150.8-174.9-60.179.3000111.5Y82 G92 R93 G95 R97 Y106 G108 L114 Q115Y82-W110 HydrophobicContact CD2-CH2 4.11Å; Y82-W110 AromaticContact CD2-CZ2 3.84Å; Y82-W110 HydrophobicContact CD2-CZ2 3.84Å; Y82-W110 HydrophobicContact CE2-CD2 4.07Å; Y82-W110 AromaticContact CE2-CE2 3.62Å; Y82-W110 HydrophobicContact CE2-CG 4.49Å; Y82-W110 HydrophobicContact CE2-CH2 4.24Å; Y82-W110 AromaticContact CE2-CZ2 3.71Å; Y82-W110 HydrophobicContact CE2-CZ2 3.71Å; Y82-W110 AromaticContact CE2-NE1 3.85Å; G92-W110 WeakPolarHBondContact O-CB 3.45Å; R93-W110 PolarHBondContact O-N 3.05Å; G95-W110 PolarHBondContact O-NE1 2.84Å; R97-W110 HydrophobicContact CB-CH2 3.79Å; R97-W110 HydrophobicContact CB-CZ2 3.83Å; Y106-W110 AromaticContact CD1-CE2 3.8Å; Y106-W110 HydrophobicContact CD1-CH2 4.34Å; Y106-W110 AromaticContact CD1-CZ2 3.58Å; Y106-W110 HydrophobicContact CD1-CZ2 3.58Å; Y106-W110 AromaticContact CD1-NE1 3.98Å; Y106-W110 HydrophobicContact CE1-CD2 4.45Å; Y106-W110 AromaticContact CE1-CE2 3.81Å; Y106-W110 HydrophobicContact CE1-CZ2 4.08Å; Y106-W110 AromaticContact CE1-NE1 3.74Å; G108-W110 VanDerWaalsContact O-CD1 3.31Å; W110-L114 CarbonylContact C-O 3.14Å; W110-L114 VanDerWaalsContact CA-O 3.26Å; W110-L114 WeakPolarHBondContact CA-O 2.96Å; W110-Q115 HydrophobicContact CE3-CG 4.36Å; W110-Q115 HydrophobicContact CH2-CG 4.4Å; W110-Q115 HydrophobicContact CZ3-CG 4.17Å
111N90Very high91.3Very high78 Ų7832.1 Ų32.142%0.41720%0.204SC..EExtended strand (participates in β ladder)trans-147.4125.8177.9-172.86.8000109.1G113 L114 D116N111-G113 PolarHBondContact O-N 3.27Å; N111-L114 PolarHBondContact N-O 3.37Å; N111-L114 WeakPolarHBondContact O-CA 3.11Å; N111-L114 WeakPolarHBondContact O-CB 2.99Å; N111-L114 PolarHBondContact O-N 2.84Å; N111-D116 HydrophobicContact CB-CB 3.44Å; N111-D116 VanDerWaalsContact CB-CB 3.44Å; N111-D116 WeakPolarHBondContact CB-OD1 3.44Å; N111-D116 PolarHBondContact ND2-OD1 2.84Å
112N85.9Confident91.9Very high137 Ų13729.7 Ų29.773%0.73317%0.174SC*.THydrogen-bonded Turntrans5225.2-175.3-60.8-34.5000115.2L114N112-L114 VanDerWaalsContact C-N 3.3Å
113G84.1Confident92.2Very high4 Ų428.6 Ų28.64%0.04116%0.164CC..THydrogen-bonded Turntrans811.9-174.200000115.3N111N111-G113 PolarHBondContact O-N 3.27Å
114L87.9Confident92.4Very high34 Ų3428.1 Ų28.118%0.17816%0.155CC..EExtended strand (participates in β ladder)trans-96158.7170-52.6179.9000111.3W110 N111 N112 S168W110-L114 CarbonylContact C-O 3.14Å; W110-L114 VanDerWaalsContact CA-O 3.26Å; W110-L114 WeakPolarHBondContact CA-O 2.96Å; N111-L114 PolarHBondContact N-O 3.37Å; N111-L114 WeakPolarHBondContact O-CA 3.11Å; N111-L114 WeakPolarHBondContact O-CB 2.99Å; N111-L114 PolarHBondContact O-N 2.84Å; N112-L114 VanDerWaalsContact C-N 3.3Å; L114-S168 VanDerWaalsContact CA-OG 3.27Å; L114-S168 WeakPolarHBondContact CA-OG 3.24Å; L114-S168 WeakPolarHBondContact CD2-O 3.38Å; L114-S168 VanDerWaalsContact CD2-OG 3.28Å; L114-S168 WeakPolarHBondContact CD2-OG 3.47Å
115Q90.6Very high92Very high0 Ų030.4 Ų30.40%017%0.167CC..EExtended strand (participates in β ladder)trans-76.5126.9170.6-59.1154.1-50.900109.6Y106 W110 F133 G135 G136 L166 S168Y106-Q115 HydrophobicContact CD1-CG 3.9Å; Y106-Q115 HydrophobicContact CD2-CG 4.12Å; Y106-Q115 HydrophobicContact CE1-CB 4.21Å; Y106-Q115 HydrophobicContact CE1-CG 3.74Å; Y106-Q115 HydrophobicContact CE2-CB 4.13Å; Y106-Q115 HydrophobicContact CE2-CG 3.95Å; Y106-Q115 HydrophobicContact CG-CG 4.08Å; W110-Q115 HydrophobicContact CE3-CG 4.36Å; W110-Q115 HydrophobicContact CH2-CG 4.4Å; W110-Q115 HydrophobicContact CZ3-CG 4.17Å; Q115-F133 HydrophobicContact CB-CB 4.4Å; Q115-F133 HydrophobicContact CB-CD1 4.13Å; Q115-F133 HydrophobicContact CB-CG 4.44Å; Q115-G135 PolarHBondContact O-N 3.03Å; Q115-G136 PolarHBondContact O-N 2.83Å; Q115-L166 PolarHBondContact NE2-O 3.09Å; Q115-L166 PolarHBondContact OE1-O 2.86Å; Q115-S168 PolarHBondContact N-OG 2.93Å
116D94.4Very high91.6Very high42 Ų4229 Ų2923%0.22517%0.174CC..EExtended strand (participates in β ladder)trans-159.6132.3-168.9-157.9-126.2000110.2T109 N111 T134 G135T109-D116 CarbonylContact C-O 3.55Å; T109-D116 WeakPolarHBondContact CB-O 3.46Å; T109-D116 PolarHBondContact O-N 2.8Å; T109-D116 VanDerWaalsContact O-N 3.13Å; T109-D116 VanDerWaalsContact O-O 3.08Å; T109-D116 PolarHBondContact OG1-O 3.13Å; N111-D116 HydrophobicContact CB-CB 3.44Å; N111-D116 VanDerWaalsContact CB-CB 3.44Å; N111-D116 WeakPolarHBondContact CB-OD1 3.44Å; N111-D116 PolarHBondContact ND2-OD1 2.84Å; D116-T134 WeakPolarHBondContact OD2-CA 3.21Å; D116-G135 PolarHBondContact OD2-N 2.86Å; D116-G135 VanDerWaalsContact OD2-N 3.08Å
117G96.3Very high91.3Very high26 Ų2629.1 Ų29.127%0.26817%0.174SC..EExtended strand (participates in β ladder)trans100.5-107-175.400000112.8Q132 F133G117-Q132 VanDerWaalsContact O-CA 3.31Å; G117-Q132 WeakPolarHBondContact O-CA 3.4Å; G117-F133 PolarHBondContact N-O 2.92Å; G117-F133 PolarHBondContact O-N 2.73Å
118Y98Very high91.2Very high51 Ų5129.5 Ų29.520%0.218%0.178CC..EExtended strand (participates in β ladder)trans-137.1143.3-175-66.7-99.1000111.8T109 G131 Q132 K391 I394 A395T109-Y118 PolarHBondContact N-O 3.16Å; T109-Y118 PolarHBondContact OG1-N 3.35Å; T109-Y118 PolarHBondContact OG1-O 2.86Å; T109-Y118 VanDerWaalsContact OG1-O 3.12Å; Y118-G131 WeakPolarHBondContact CA-O 3.5Å; Y118-Q132 HydrophobicContact CD1-CG 3.83Å; Y118-Q132 HydrophobicContact CE1-CG 3.52Å; Y118-K391 HydrophobicContact CE1-CB 4.4Å; Y118-K391 HydrophobicContact CE1-CD 3.64Å; Y118-K391 WeakPolarHBondContact OH-CD 3.49Å; Y118-K391 PolarHBondContact OH-NZ 3.16Å; Y118-I394 HydrophobicContact CD1-CB 4.19Å; Y118-I394 HydrophobicContact CD1-CG2 3.66Å; Y118-I394 HydrophobicContact CD2-CG2 4.3Å; Y118-I394 HydrophobicContact CE1-CB 4.07Å; Y118-I394 HydrophobicContact CE1-CG2 3.61Å; Y118-I394 HydrophobicContact CE2-CG2 4.28Å; Y118-I394 HydrophobicContact CG-CG2 4.01Å; Y118-A395 HydrophobicContact CD1-CB 4.48Å
119G97Very high91.2Very high0 Ų029.5 Ų29.50%018%0.178CC..EExtended strand (participates in β ladder)trans-177.5-179.3173.800000114.3E107 G131E107-G119 CarbonylContact O-C 3.54Å; E107-G119 VanDerWaalsContact O-CA 3.3Å; E107-G119 WeakPolarHBondContact O-CA 3.36Å; G119-G131 PolarHBondContact N-O 2.77Å; G119-G131 VanDerWaalsContact N-O 3.07Å; G119-G131 PolarHBondContact O-N 2.86Å
120T97.4Very high91.3Very high13 Ų1331.9 Ų31.98%0.0819%0.188CC..EExtended strand (participates in β ladder)trans-110.7129.6173.2-57.20000109.5Y106 E107 Y129 Q130 T399Y106-T120 WeakPolarHBondContact CA-O 3.44Å; E107-T120 PolarHBondContact N-O 3.4Å; E107-T120 PolarHBondContact O-N 3.07Å; T120-Y129 CarbonylContact C-O 3.54Å; T120-Y129 WeakPolarHBondContact CA-O 3.45Å; T120-Q130 HydrophobicContact CG2-CG 4.04Å; T120-T399 WeakPolarHBondContact CB-OG1 3.29Å; T120-T399 PolarHBondContact N-OG1 3.34Å; T120-T399 PolarHBondContact OG1-OG1 2.57Å
121E94.6Very high91.5Very high0 Ų031.3 Ų31.30%019%0.186CC..EExtended strand (participates in β ladder)trans-110.9135.9169.8178.6174.4-135.800108.4Y106 Y123 T128 Y129 F133 R138 S165 L166Y106-E121 HydrophobicContact CD2-CB 4.26Å; E121-Y123 HydrophobicContact CG-CD1 4.16Å; E121-Y123 HydrophobicContact CG-CE1 3.6Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.37Å; E121-Y123 VanDerWaalsContact OE2-CZ 3.25Å; E121-Y123 PolarHBondContact OE2-OH 2.79Å; E121-T128 CarbonylContact O-C 3.59Å; E121-T128 VanDerWaalsContact O-CA 3.29Å; E121-T128 WeakPolarHBondContact O-CA 3.19Å; E121-Y129 PolarHBondContact N-O 3.06Å; E121-Y129 PolarHBondContact O-N 2.75Å; E121-F133 HydrophobicContact CB-CZ 3.85Å; E121-R138 IonicContact OE2-NH1 3.93Å; E121-R138 PolarHBondContact OE2-NH1 3.12Å; E121-S165 VanDerWaalsContact OE1-CA 3.23Å; E121-S165 WeakPolarHBondContact OE1-CA 3.35Å; E121-S165 WeakPolarHBondContact OE1-CB 3.17Å; E121-S165 PolarHBondContact OE1-OG 2.58Å; E121-L166 PolarHBondContact OE1-N 2.8Å
122T93.3Very high91.9Very high23 Ų2329.6 Ų29.614%0.14118%0.176CC..EExtended strand (participates in β ladder)trans-120.7125.8167.9-53.60000107.8A104 K105 G127 T128A104-T122 CarbonylContact C-O 3.57Å; A104-T122 WeakPolarHBondContact CA-O 3.33Å; K105-T122 WeakPolarHBondContact CE-OG1 3.34Å; K105-T122 PolarHBondContact N-O 3.17Å; K105-T122 PolarHBondContact O-N 3.14Å; T122-G127 CarbonylContact C-O 3.49Å; T122-G127 VanDerWaalsContact CA-O 3.29Å; T122-G127 WeakPolarHBondContact CA-O 3.23Å; T122-T128 HydrophobicContact CG2-CG2 4.18Å
123Y87.6Confident92.4Very high18 Ų1823.2 Ų23.27%0.07114%0.141CC..  trans-80.5166.5-178.2-57.6-61.7000111.4E121 D125 G126 G127 Y129 R138E121-Y123 HydrophobicContact CG-CD1 4.16Å; E121-Y123 HydrophobicContact CG-CE1 3.6Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.37Å; E121-Y123 VanDerWaalsContact OE2-CZ 3.25Å; E121-Y123 PolarHBondContact OE2-OH 2.79Å; Y123-D125 WeakPolarHBondContact CB-OD1 3.45Å; Y123-D125 PolarHBondContact O-N 2.96Å; Y123-G126 PolarHBondContact O-N 3.19Å; Y123-G127 VanDerWaalsContact CD2-O 3.31Å; Y123-G127 WeakPolarHBondContact CD2-O 3.43Å; Y123-G127 PolarHBondContact N-O 3.04Å; Y123-Y129 VanDerWaalsContact OH-CB 3.25Å; Y123-Y129 WeakPolarHBondContact OH-CB 3.33Å; Y123-R138 WeakPolarHBondContact OH-CD 3.35Å; Y123-R138 PolarHBondContact OH-NH1 3.1Å
124A84.3Confident92.9Very high40 Ų4026.3 Ų26.333%0.33116%0.159SC..THydrogen-bonded Turntrans-64.9-21.4178.400000113.7S102 A104 G126 T164S102-A124 VanDerWaalsContact O-CA 3.32Å; S102-A124 WeakPolarHBondContact O-CA 3.17Å; S102-A124 VanDerWaalsContact O-CB 3.29Å; S102-A124 WeakPolarHBondContact O-CB 3.29Å; A104-A124 HydrophobicContact CB-CB 4.15Å; A124-G126 VanDerWaalsContact C-N 3.29Å; A124-T164 HydrophobicContact CB-CG2 4.26Å
125D79.3Confident92.9Very high49 Ų4926.3 Ų26.326%0.26217%0.168SC..THydrogen-bonded Turntrans-80.5-8.7173.467.8-7.7000113.1Y123 G127 V147Y123-D125 WeakPolarHBondContact CB-OD1 3.45Å; Y123-D125 PolarHBondContact O-N 2.96Å; D125-G127 PolarHBondContact OD1-N 3.11Å; D125-V147 HydrophobicContact CB-CG2 4.1Å; D125-V147 WeakPolarHBondContact O-CG1 3.3Å
126G84.4Confident92.9Very high43 Ų4326.5 Ų26.544%0.44317%0.17SC..SBendtrans95-5.2-173.500000114.9Y123 A124 V147Y123-G126 PolarHBondContact O-N 3.19Å; A124-G126 VanDerWaalsContact C-N 3.29Å; G126-V147 VanDerWaalsContact C-CG1 3.41Å
127G90Very high92.7Very high2 Ų227.6 Ų27.62%0.02118%0.175CC..  trans-67.8159.8178.200000111.6T122 Y123 D125 Q145 V147T122-G127 CarbonylContact C-O 3.49Å; T122-G127 VanDerWaalsContact CA-O 3.29Å; T122-G127 WeakPolarHBondContact CA-O 3.23Å; Y123-G127 VanDerWaalsContact CD2-O 3.31Å; Y123-G127 WeakPolarHBondContact CD2-O 3.43Å; Y123-G127 PolarHBondContact N-O 3.04Å; D125-G127 PolarHBondContact OD1-N 3.11Å; G127-Q145 WeakPolarHBondContact CA-O 3.32Å; G127-V147 VanDerWaalsContact N-CG1 3.27Å
128T94.8Very high92.5Very high30 Ų3027.1 Ų27.118%0.18417%0.165CC..EExtended strand (participates in β ladder)trans-131.4153.6-176.870.30000114.3E121 T122 R144 Q145E121-T128 CarbonylContact O-C 3.59Å; E121-T128 VanDerWaalsContact O-CA 3.29Å; E121-T128 WeakPolarHBondContact O-CA 3.19Å; T122-T128 HydrophobicContact CG2-CG2 4.18Å; T128-R144 CarbonylContact O-C 3.54Å; T128-R144 VanDerWaalsContact O-CA 3.3Å; T128-R144 WeakPolarHBondContact O-CA 3.09Å; T128-Q145 PolarHBondContact N-O 3.1Å; T128-Q145 PolarHBondContact O-N 2.79Å
129Y96.6Very high92.4Very high0 Ų027.7 Ų27.70%017%0.169CC..EExtended strand (participates in β ladder)trans-131.2135.4164.2174.1-98000110.6T120 E121 Y123 Q132 F133 R138 V143 R144 W303T120-Y129 CarbonylContact C-O 3.54Å; T120-Y129 WeakPolarHBondContact CA-O 3.45Å; E121-Y129 PolarHBondContact N-O 3.06Å; E121-Y129 PolarHBondContact O-N 2.75Å; Y123-Y129 VanDerWaalsContact OH-CB 3.25Å; Y123-Y129 WeakPolarHBondContact OH-CB 3.33Å; Y129-Q132 PolarHBondContact OH-N 2.84Å; Y129-Q132 PolarHBondContact OH-O 2.83Å; Y129-F133 HydrophobicContact CD1-CE1 4.48Å; Y129-F133 AromaticContact CD1-CE2 3.63Å; Y129-F133 HydrophobicContact CD1-CE2 3.63Å; Y129-F133 AromaticContact CD1-CZ 3.51Å; Y129-F133 HydrophobicContact CD1-CZ 3.51Å; Y129-F133 HydrophobicContact CE1-CD2 4.23Å; Y129-F133 AromaticContact CE1-CE2 3.56Å; Y129-F133 HydrophobicContact CE1-CE2 3.56Å; Y129-F133 AromaticContact CE1-CZ 3.77Å; Y129-F133 HydrophobicContact CE1-CZ 3.77Å; Y129-R138 HydrophobicContact CD1-CG 3.73Å; Y129-R138 HydrophobicContact CE1-CB 3.98Å; Y129-R138 HydrophobicContact CE1-CG 3.66Å; Y129-R138 HydrophobicContact CE2-CB 4.43Å; Y129-R138 HydrophobicContact CE2-CG 4.45Å; Y129-R138 HydrophobicContact CG-CG 4.15Å; Y129-V143 CarbonylContact C-O 3.57Å; Y129-V143 WeakPolarHBondContact CA-O 3.16Å; Y129-V143 VanDerWaalsContact CD2-O 3.28Å; Y129-V143 WeakPolarHBondContact CD2-O 3.47Å; Y129-R144 HydrophobicContact CD2-CB 4.25Å; Y129-W303 HydrophobicContact CD2-CZ2 4.26Å; Y129-W303 AromaticContact CE2-CD1 3.85Å; Y129-W303 HydrophobicContact CE2-CD2 4.02Å; Y129-W303 AromaticContact CE2-CE2 3.66Å; Y129-W303 HydrophobicContact CE2-CG 4.12Å; Y129-W303 HydrophobicContact CE2-CZ2 4.19Å; Y129-W303 AromaticContact CE2-NE1 3.54Å
130Q98Very high92.4Very high67 Ų6728.6 Ų28.631%0.31318%0.178SC..EExtended strand (participates in β ladder)trans-128.7119.4176.6-60.2-179.720.400109T120 G142 V143 A392T120-Q130 HydrophobicContact CG2-CG 4.04Å; Q130-G142 CarbonylContact O-C 3.52Å; Q130-G142 VanDerWaalsContact O-CA 3.3Å; Q130-G142 WeakPolarHBondContact O-CA 3.1Å; Q130-V143 PolarHBondContact N-O 3.47Å; Q130-V143 PolarHBondContact O-N 3.32Å; Q130-A392 HydrophobicContact CB-CB 3.77Å
131G97.4Very high92.5Very high0 Ų030.7 Ų30.70%019%0.185CC..EExtended strand (participates in β ladder)trans159.7-141.7-179.400000113.6Y118 G119Y118-G131 WeakPolarHBondContact CA-O 3.5Å; G119-G131 PolarHBondContact N-O 2.77Å; G119-G131 VanDerWaalsContact N-O 3.07Å; G119-G131 PolarHBondContact O-N 2.86Å
132Q97.9Very high92.6Very high43 Ų4330.7 Ų30.720%0.20119%0.185CC..EExtended strand (participates in β ladder)trans-97.4141.5-170.1-68.6-175.1-93.100113.2G117 Y118 Y129 H139 Y141G117-Q132 VanDerWaalsContact O-CA 3.31Å; G117-Q132 WeakPolarHBondContact O-CA 3.4Å; Y118-Q132 HydrophobicContact CD1-CG 3.83Å; Y118-Q132 HydrophobicContact CE1-CG 3.52Å; Y129-Q132 PolarHBondContact OH-N 2.84Å; Y129-Q132 PolarHBondContact OH-O 2.83Å; Q132-H139 CarbonylContact C-O 3.58Å; Q132-H139 VanDerWaalsContact C-O 3.31Å; Q132-H139 WeakPolarHBondContact CB-O 3Å; Q132-H139 PolarHBondContact O-N 2.93Å; Q132-H139 VanDerWaalsContact O-O 3.08Å; Q132-Y141 PolarHBondContact N-O 3.45Å; Q132-Y141 VanDerWaalsContact OE1-N 3.07Å
133F95.8Very high92.9Very high3 Ų330.6 Ų30.61%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-125148.2178.9-74.1-98.2000110.5Y106 Q115 G117 E121 Y129 M137 R138Y106-F133 HydrophobicContact CD2-CE1 4.36Å; Y106-F133 HydrophobicContact CD2-CZ 4.14Å; Y106-F133 HydrophobicContact CE2-CD1 4.16Å; Y106-F133 AromaticContact CE2-CD2 3.95Å; Y106-F133 HydrophobicContact CE2-CD2 3.95Å; Y106-F133 AromaticContact CE2-CE1 3.92Å; Y106-F133 HydrophobicContact CE2-CE1 3.92Å; Y106-F133 AromaticContact CE2-CE2 3.7Å; Y106-F133 HydrophobicContact CE2-CE2 3.7Å; Y106-F133 HydrophobicContact CE2-CG 4.18Å; Y106-F133 AromaticContact CE2-CZ 3.68Å; Y106-F133 HydrophobicContact CE2-CZ 3.68Å; Q115-F133 HydrophobicContact CB-CB 4.4Å; Q115-F133 HydrophobicContact CB-CD1 4.13Å; Q115-F133 HydrophobicContact CB-CG 4.44Å; G117-F133 PolarHBondContact N-O 2.92Å; G117-F133 PolarHBondContact O-N 2.73Å; E121-F133 HydrophobicContact CB-CZ 3.85Å; Y129-F133 HydrophobicContact CD1-CE1 4.48Å; Y129-F133 AromaticContact CD1-CE2 3.63Å; Y129-F133 HydrophobicContact CD1-CE2 3.63Å; Y129-F133 AromaticContact CD1-CZ 3.51Å; Y129-F133 HydrophobicContact CD1-CZ 3.51Å; Y129-F133 HydrophobicContact CE1-CD2 4.23Å; Y129-F133 AromaticContact CE1-CE2 3.56Å; Y129-F133 HydrophobicContact CE1-CE2 3.56Å; Y129-F133 AromaticContact CE1-CZ 3.77Å; Y129-F133 HydrophobicContact CE1-CZ 3.77Å; F133-M137 CarbonylContact C-O 3.55Å; F133-M137 WeakPolarHBondContact CA-O 3.27Å; F133-R138 HydrophobicContact CE1-CG 3.91Å; F133-R138 HydrophobicContact CZ-CG 4.19Å
134T95.2Very high93.3Very high68 Ų6830.3 Ų30.342%0.41718%0.183SC..EExtended strand (participates in β ladder)trans-146.1119172.3-570000109.5D116 G136 M137D116-T134 WeakPolarHBondContact OD2-CA 3.21Å; T134-G136 VanDerWaalsContact C-N 3.33Å; T134-G136 PolarHBondContact O-N 2.63Å; T134-M137 PolarHBondContact N-O 3.41Å; T134-M137 PolarHBondContact O-N 3.18Å
135G89.3Confident93.8Very high35 Ų3533.1 Ų33.136%0.36119%0.189SC..THydrogen-bonded Turntrans55.738.9176.500000115.3Q115 D116Q115-G135 PolarHBondContact O-N 3.03Å; D116-G135 PolarHBondContact OD2-N 2.86Å; D116-G135 VanDerWaalsContact OD2-N 3.08Å
136G89.4Confident94.2Very high4 Ų431.1 Ų31.14%0.04118%0.18CC..THydrogen-bonded Turntrans81.812.7179.800000115.7Q115 T134Q115-G136 PolarHBondContact O-N 2.83Å; T134-G136 VanDerWaalsContact C-N 3.33Å; T134-G136 PolarHBondContact O-N 2.63Å
137M89.4Confident94.4Very high65 Ų6530 Ų3032%0.3216%0.164SC..EExtended strand (participates in β ladder)trans-129151.8175.7-66.5172.3-76.200111.7F133 T134 H139 N305 D306F133-M137 CarbonylContact C-O 3.55Å; F133-M137 WeakPolarHBondContact CA-O 3.27Å; T134-M137 PolarHBondContact N-O 3.41Å; T134-M137 PolarHBondContact O-N 3.18Å; M137-H139 PolarHBondContact O-N 2.97Å; M137-N305 HydrophobicContact SD-CB 3.85Å; M137-D306 WeakPolarHBondContact CA-OD1 3.35Å
138R93.9Very high94.3Very high15 Ų1532 Ų326%0.05718%0.177CC..EExtended strand (participates in β ladder)trans-67.6126.4169.1-56.5-178.6-70.8-82.34.6109.7E121 Y123 Y129 F133 S165 W303 N305 D306E121-R138 IonicContact OE2-NH1 3.93Å; E121-R138 PolarHBondContact OE2-NH1 3.12Å; Y123-R138 WeakPolarHBondContact OH-CD 3.35Å; Y123-R138 PolarHBondContact OH-NH1 3.1Å; Y129-R138 HydrophobicContact CD1-CG 3.73Å; Y129-R138 HydrophobicContact CE1-CB 3.98Å; Y129-R138 HydrophobicContact CE1-CG 3.66Å; Y129-R138 HydrophobicContact CE2-CB 4.43Å; Y129-R138 HydrophobicContact CE2-CG 4.45Å; Y129-R138 HydrophobicContact CG-CG 4.15Å; F133-R138 HydrophobicContact CE1-CG 3.91Å; F133-R138 HydrophobicContact CZ-CG 4.19Å; R138-S165 PolarHBondContact NH1-OG 3.32Å; R138-W303 HydrophobicContact CB-CE3 4.4Å; R138-N305 PolarHBondContact O-N 2.95Å; R138-D306 IonicContact CZ-OD1 3.76Å; R138-D306 PolarHBondContact N-OD1 3.48Å; R138-D306 IonicContact NE-OD1 3.59Å; R138-D306 IonicContact NH1-OD1 3.5Å; R138-D306 PolarHBondContact NH2-O 2.99Å; R138-D306 PolarHBondContact O-N 3.15Å
139H95.1Very high93.5Very high64 Ų6431.5 Ų31.530%0.29617%0.171SC..EExtended strand (participates in β ladder)trans-158.4140.6-172-164.4108.4000111Q132 M137 W303 N305Q132-H139 CarbonylContact C-O 3.58Å; Q132-H139 VanDerWaalsContact C-O 3.31Å; Q132-H139 WeakPolarHBondContact CB-O 3Å; Q132-H139 PolarHBondContact O-N 2.93Å; Q132-H139 VanDerWaalsContact O-O 3.08Å; M137-H139 PolarHBondContact O-N 2.97Å; H139-W303 CarbonylContact C-O 3.53Å; H139-W303 WeakPolarHBondContact CA-O 3.29Å; H139-N305 PolarHBondContact ND1-OD1 3Å; H139-N305 VanDerWaalsContact ND1-OD1 3.08Å
140G97.8Very high92.3Very high19 Ų1932.4 Ų32.420%0.19618%0.181CC..EExtended strand (participates in β ladder)trans89.1-136.7-174.800000110.9E302 W303G140-E302 CarbonylContact O-C 3.58Å; G140-E302 WeakPolarHBondContact O-CA 3.1Å; G140-W303 PolarHBondContact N-O 3.05Å; G140-W303 PolarHBondContact O-N 3.23Å
141Y98.6Very high91.1Very high57 Ų5735.2 Ų35.222%0.22420%0.195CC..EExtended strand (participates in β ladder)trans-104.5141.3-177.1-67.5-98.9000111.6Q132 E302 A384 I387Q132-Y141 PolarHBondContact N-O 3.45Å; Q132-Y141 VanDerWaalsContact OE1-N 3.07Å; Y141-E302 HydrophobicContact CD1-CG 3.79Å; Y141-E302 HydrophobicContact CE1-CG 3.27Å; Y141-E302 HydrophobicContact CE2-CG 4.19Å; Y141-E302 HydrophobicContact CG-CG 4.43Å; Y141-E302 VanDerWaalsContact CZ-CG 3.48Å; Y141-E302 VanDerWaalsContact OH-CD 3.27Å; Y141-E302 PolarHBondContact OH-OE2 3.03Å; Y141-A384 HydrophobicContact CE1-CB 4.03Å; Y141-I387 HydrophobicContact CD1-CB 3.79Å; Y141-I387 HydrophobicContact CD1-CG2 3.51Å; Y141-I387 HydrophobicContact CD2-CG2 3.88Å; Y141-I387 HydrophobicContact CE1-CB 3.99Å; Y141-I387 HydrophobicContact CE1-CD1 4.15Å; Y141-I387 HydrophobicContact CE1-CG2 3.86Å; Y141-I387 HydrophobicContact CE2-CG2 4.23Å; Y141-I387 HydrophobicContact CG-CB 4.32Å; Y141-I387 HydrophobicContact CG-CG2 3.53Å
142G97.8Very high89.4Confident0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-175.7166.1175.500000114.5Q130 G301 W303Q130-G142 CarbonylContact O-C 3.52Å; Q130-G142 VanDerWaalsContact O-CA 3.3Å; Q130-G142 WeakPolarHBondContact O-CA 3.1Å; G142-G301 PolarHBondContact N-O 3.49Å; G142-G301 VanDerWaalsContact N-O 3.11Å; G142-G301 PolarHBondContact O-N 3.27Å; G142-W303 PolarHBondContact O-NE1 3.47Å
143V98.2Very high87.2Confident20 Ų2035.8 Ų35.812%0.12121%0.207CC..EExtended strand (participates in β ladder)trans-107.5132-179.4178.50000108.9Y129 Q130 V298 Y299 M300 A388 A392Y129-V143 CarbonylContact C-O 3.57Å; Y129-V143 WeakPolarHBondContact CA-O 3.16Å; Y129-V143 VanDerWaalsContact CD2-O 3.28Å; Y129-V143 WeakPolarHBondContact CD2-O 3.47Å; Q130-V143 PolarHBondContact N-O 3.47Å; Q130-V143 PolarHBondContact O-N 3.32Å; V143-V298 HydrophobicContact CG1-CG1 4.18Å; V143-Y299 CarbonylContact C-O 3.53Å; V143-Y299 VanDerWaalsContact CA-O 3.27Å; V143-Y299 WeakPolarHBondContact CA-O 3.48Å; V143-M300 HydrophobicContact CB-CE 4.47Å; V143-M300 HydrophobicContact CG1-CE 3.67Å; V143-M300 HydrophobicContact CG1-CG 4.14Å; V143-M300 HydrophobicContact CG2-CE 3.9Å; V143-M300 HydrophobicContact CG2-CG 4.07Å; V143-A388 HydrophobicContact CG2-CB 4.25Å; V143-A392 HydrophobicContact CB-CB 4.19Å; V143-A392 HydrophobicContact CG2-CB 3.82Å
144R96.4Very high84.9Confident13 Ų1341.5 Ų41.55%0.04924%0.243CC..EExtended strand (participates in β ladder)trans-115.1140.2168.9178.5-178.6-176.6-101.319.6109.2T128 Y129 S266 D267 V298 Y299 W303T128-R144 CarbonylContact O-C 3.54Å; T128-R144 VanDerWaalsContact O-CA 3.3Å; T128-R144 WeakPolarHBondContact O-CA 3.09Å; Y129-R144 HydrophobicContact CD2-CB 4.25Å; R144-S266 PolarHBondContact NH1-OG 2.93Å; R144-S266 PolarHBondContact NH2-O 2.92Å; R144-D267 IonicContact CZ-OD1 2.73Å; R144-D267 IonicContact CZ-OD2 3.91Å; R144-D267 IonicContact NE-OD1 2.69Å; R144-D267 VanDerWaalsContact NH2-CG 3.3Å; R144-D267 IonicContact NH2-OD1 2.69Å; R144-D267 PolarHBondContact NH2-OD1 3.17Å; R144-D267 IonicContact NH2-OD2 3.89Å; R144-V298 CarbonylContact O-C 3.56Å; R144-V298 VanDerWaalsContact O-CA 3.3Å; R144-V298 WeakPolarHBondContact O-CA 3.25Å; R144-Y299 PolarHBondContact N-O 2.95Å; R144-Y299 PolarHBondContact O-N 3.02Å; R144-W303 HydrophobicContact CB-CH2 4.09Å; R144-W303 HydrophobicContact CB-CZ2 3.67Å
145Q94.3Very high82.7Confident98 Ų9840.9 Ų40.946%0.45824%0.238SC..EExtended strand (participates in β ladder)trans-124.7122.1169.4177.3174500108.2G127 T128 V298G127-Q145 WeakPolarHBondContact CA-O 3.32Å; T128-Q145 PolarHBondContact N-O 3.1Å; T128-Q145 PolarHBondContact O-N 2.79Å; Q145-V298 HydrophobicContact CB-CG2 4.37Å; Q145-V298 HydrophobicContact CG-CG2 4.14Å
146S89.1Confident80.4Confident8 Ų847 Ų476%0.05625%0.251CS..PPolyproline II helixtrans-76.9160.8172.379.20000111.3E297S146-E297 PolarHBondContact N-O 2.92Å; S146-E297 PolarHBondContact OG-N 3.25Å
147V88.4Confident77.5Confident18 Ų1851.2 Ų51.211%0.10928%0.28CS..PPolyproline II helixtrans-70.1169.5156.7-63.30000111.2D125 G126 G127 M151 A152D125-V147 HydrophobicContact CB-CG2 4.1Å; D125-V147 WeakPolarHBondContact O-CG1 3.3Å; G126-V147 VanDerWaalsContact C-CG1 3.41Å; G127-V147 VanDerWaalsContact N-CG1 3.27Å; V147-M151 HydrophobicContact CG2-CB 4.18Å; V147-A152 HydrophobicContact CG2-CB 4.09Å
148P86.3Confident75.1Confident45 Ų4554.2 Ų54.229%0.29230%0.304SS..PPolyproline II helixtrans-53.9139.4172.2-30.238.8000112.5G150 M151 A152 A293 T295 T296P148-G150 PolarHBondContact O-N 3.42Å; P148-G150 VanDerWaalsContact O-N 3.15Å; P148-M151 HydrophobicContact CB-CG 4.42Å; P148-M151 WeakPolarHBondContact O-CB 3.29Å; P148-M151 PolarHBondContact O-N 3.34Å; P148-A152 PolarHBondContact O-N 2.79Å; P148-A293 CarbonylContact C-O 3.57Å; P148-A293 WeakPolarHBondContact CB-O 3.44Å; P148-T295 CarbonylContact C-O 3.52Å; P148-T295 WeakPolarHBondContact CA-O 3.29Å; P148-T296 HydrophobicContact CB-CG2 4.46Å; P148-T296 HydrophobicContact CG-CG2 3.96Å
149Y78.6Confident72.3Confident19 Ų1958.6 Ų58.68%0.07533%0.328CS..THydrogen-bonded Turntrans-60.6-27.4-174.5-78.4-67.1000113.2A152 A153 A265 I291 A293 T295 E297 R316Y149-A152 CarbonylContact O-C 3.6Å; Y149-A152 PolarHBondContact O-N 2.82Å; Y149-A153 WeakPolarHBondContact O-CB 3.39Å; Y149-A153 PolarHBondContact O-N 2.87Å; Y149-A265 HydrophobicContact CE1-CB 4.35Å; Y149-I291 HydrophobicContact CD2-CG2 3.28Å; Y149-I291 HydrophobicContact CE2-CG2 3.73Å; Y149-I291 HydrophobicContact CG-CG2 3.85Å; Y149-A293 PolarHBondContact N-O 3.22Å; Y149-T295 HydrophobicContact CD2-CG2 3.72Å; Y149-T295 WeakPolarHBondContact CD2-O 3.43Å; Y149-T295 HydrophobicContact CE2-CG2 3.83Å; Y149-T295 PolarHBondContact N-O 3.03Å; Y149-E297 PolarHBondContact OH-OE2 3.42Å; Y149-R316 HydrophobicContact CE2-CG 4.47Å
150G72.1Confident69.6Low19 Ų1965.6 Ų65.620%0.19635%0.351CS..THydrogen-bonded Turntrans-62.6-47.8171.800000111.8P148 A152 A153 V154 A293P148-G150 PolarHBondContact O-N 3.42Å; P148-G150 VanDerWaalsContact O-N 3.15Å; G150-A152 VanDerWaalsContact C-N 3.32Å; G150-A152 PolarHBondContact O-N 3.13Å; G150-A153 PolarHBondContact O-N 2.89Å; G150-V154 WeakPolarHBondContact O-CG2 3.28Å; G150-V154 PolarHBondContact O-N 2.89Å; G150-A293 PolarHBondContact N-O 2.89Å
151M72.1Confident66.5Low126 Ų12667.4 Ų67.462%0.62136%0.359SS*.Hα-helixtrans-63.7-38.2174.3-61.1-60.5168.100111.3V147 P148 A153 V155V147-M151 HydrophobicContact CG2-CB 4.18Å; P148-M151 HydrophobicContact CB-CG 4.42Å; P148-M151 WeakPolarHBondContact O-CB 3.29Å; P148-M151 PolarHBondContact O-N 3.34Å; M151-A153 PolarHBondContact O-N 3.33Å; M151-V155 WeakPolarHBondContact O-CG2 3.47Å
152A63Low63.5Low20 Ų2067.3 Ų67.317%0.16537%0.366CS..Hα-helixtrans-71.7-9.217300000114.6V147 P148 Y149 G150V147-A152 HydrophobicContact CG2-CB 4.09Å; P148-A152 PolarHBondContact O-N 2.79Å; Y149-A152 CarbonylContact O-C 3.6Å; Y149-A152 PolarHBondContact O-N 2.82Å; G150-A152 VanDerWaalsContact C-N 3.32Å; G150-A152 PolarHBondContact O-N 3.13Å
153A50.9Low60.7Low35 Ų3572.7 Ų72.729%0.28940%0.395SS..Hα-helixtrans-110.8-27.9-176.300000114.1Y149 G150 M151 V155 R156Y149-A153 WeakPolarHBondContact O-CB 3.39Å; Y149-A153 PolarHBondContact O-N 2.87Å; G150-A153 PolarHBondContact O-N 2.89Å; M151-A153 PolarHBondContact O-N 3.33Å; A153-V155 PolarHBondContact O-N 2.89Å; A153-R156 WeakPolarHBondContact O-CB 3.38Å; A153-R156 VanDerWaalsContact O-CD 3.31Å; A153-R156 WeakPolarHBondContact O-CD 3.35Å; A153-R156 WeakPolarHBondContact O-CG 3.3Å
154V47.3Very low58.1Low124 Ų12473.1 Ų73.175%0.75240%0.397SS*.Hα-helixtrans-61.1-26.4165.5169.90000110.9G150 R156G150-V154 WeakPolarHBondContact O-CG2 3.28Å; G150-V154 PolarHBondContact O-N 2.89Å; V154-R156 PolarHBondContact O-N 2.89Å
155V49.5Very low55.6Low54 Ų5473.1 Ų73.133%0.32740%0.4SS..  trans-7357176.2176.10000110.7M151 A153 T161M151-V155 WeakPolarHBondContact O-CG2 3.47Å; A153-V155 PolarHBondContact O-N 2.89Å; V155-T161 HydrophobicContact CG1-CG2 4.11Å; V155-T161 WeakPolarHBondContact CG1-OG1 3.25Å
156R39.8Very low53.4Low164 Ų16468.5 Ų68.562%0.61938%0.378SS*.  trans-144.246.3-173.2-72.1-173.5-179.9153.42.5114.9A153 V154A153-R156 WeakPolarHBondContact O-CB 3.38Å; A153-R156 VanDerWaalsContact O-CD 3.31Å; A153-R156 WeakPolarHBondContact O-CD 3.35Å; A153-R156 WeakPolarHBondContact O-CG 3.3Å; V154-R156 PolarHBondContact O-N 2.89Å
157S28.3Very low51.5Low93 Ų9373.5 Ų73.565%0.6540%0.395SS*.SBendtrans-111167154.971.50000109.1L159S157-L159 PolarHBondContact O-N 3.21Å
158P39.8Very low49.4Very low127 Ų12773.1 Ų73.183%0.82539%0.394SS*.SBendtrans-74.98-153.628-34.5000117.3
159L34.8Very low47.4Very low108 Ų10878 Ų7857%0.56541%0.413SS*.SBendtrans-107.878.3-177.2-68.5176.9000114.3S157 T161S157-L159 PolarHBondContact O-N 3.21Å; L159-T161 PolarHBondContact O-N 2.89Å
160R37.7Very low45.4Very low210 Ų21083.2 Ų83.279%0.79244%0.437SS*.  trans54.159.5140.5-161.6-152.5-176.4160.52.9117.5
161T33.4Very low43.9Very low58 Ų5884 Ų8436%0.35644%0.44SS..  trans-118.2164172.638.20000110.9V155 L159 L163V155-T161 HydrophobicContact CG1-CG2 4.11Å; V155-T161 WeakPolarHBondContact CG1-OG1 3.25Å; L159-T161 PolarHBondContact O-N 2.89Å; T161-L163 PolarHBondContact O-N 2.94Å; T161-L163 VanDerWaalsContact O-N 3.16Å
162S35.6Very low42.4Very low54 Ų5480 Ų8038%0.37842%0.421SS..SBendtrans67.6-21-160.579.90000117.5
163L39Very low41.1Very low114 Ų11482.5 Ų82.560%0.59745%0.449SS*.  trans-94.11.7171.9-74.2-178000114.9T161 S165T161-L163 PolarHBondContact O-N 2.94Å; T161-L163 VanDerWaalsContact O-N 3.16Å; L163-S165 PolarHBondContact O-N 3.16Å
164T43Very low40.1Very low28 Ų2886.8 Ų86.817%0.17247%0.472CS..  trans-76.138.7172.7-28.70000112.6A104 A124A104-T164 HydrophobicContact CB-CG2 4.27Å; A124-T164 HydrophobicContact CB-CG2 4.26Å
165S45.8Very low39.2Very low14 Ų1487.3 Ų87.310%0.09848%0.475CS..  trans-56.9139.9153.2173.20000107.5E121 R138 L163 R167E121-S165 VanDerWaalsContact OE1-CA 3.23Å; E121-S165 WeakPolarHBondContact OE1-CA 3.35Å; E121-S165 WeakPolarHBondContact OE1-CB 3.17Å; E121-S165 PolarHBondContact OE1-OG 2.58Å; R138-S165 PolarHBondContact NH1-OG 3.32Å; L163-S165 PolarHBondContact O-N 3.16Å; S165-R167 PolarHBondContact O-N 2.88Å
166L48.1Very low38.2Very low1 Ų191.9 Ų91.91%0.00550%0.497CS..  trans-75.261.3-178.6-74.2-135.8000110.4W80 R97 A104 Q115 E121 S168W80-L166 HydrophobicContact CH2-CD2 3.52Å; W80-L166 HydrophobicContact CZ3-CD1 3.82Å; W80-L166 HydrophobicContact CZ3-CD2 3.44Å; W80-L166 VanDerWaalsContact CZ3-CD2 3.44Å; W80-L166 HydrophobicContact CZ3-CG 4.28Å; R97-L166 HydrophobicContact CB-CD1 4.22Å; R97-L166 HydrophobicContact CG-CD1 3.87Å; R97-L166 PolarHBondContact NH2-O 2.87Å; A104-L166 HydrophobicContact CB-CD2 3.5Å; A104-L166 HydrophobicContact CB-CG 4.42Å; Q115-L166 PolarHBondContact NE2-O 3.09Å; Q115-L166 PolarHBondContact OE1-O 2.86Å; E121-L166 PolarHBondContact OE1-N 2.8Å; L166-S168 PolarHBondContact O-N 2.9Å
167R48.3Very low37.7Very low112 Ų11292 Ų9242%0.42350%0.504SS..  trans-61.4129174.7-69.3-166.6-179.1131.41.5109.5R97 S165 E169 D306R97-R167 PolarHBondContact NH1-O 2.73Å; S165-R167 PolarHBondContact O-N 2.88Å; R167-E169 VanDerWaalsContact C-N 3.26Å; R167-E169 PolarHBondContact O-N 2.82Å; R167-D306 IonicContact CZ-OD2 3.83Å; R167-D306 IonicContact NE-OD2 3.74Å; R167-D306 PolarHBondContact NE-OD2 2.97Å; R167-D306 IonicContact NH2-OD2 3.79Å; R167-D306 PolarHBondContact NH2-OD2 2.9Å
168S44.8Very low37.8Very low11 Ų1196.2 Ų96.28%0.07751%0.513CS..  trans-77.881.4170.247.90000108.5L114 Q115 L166L114-S168 VanDerWaalsContact CA-OG 3.27Å; L114-S168 WeakPolarHBondContact CA-OG 3.24Å; L114-S168 WeakPolarHBondContact CD2-O 3.38Å; L114-S168 VanDerWaalsContact CD2-OG 3.28Å; L114-S168 WeakPolarHBondContact CD2-OG 3.47Å; Q115-S168 PolarHBondContact N-OG 2.93Å; L166-S168 PolarHBondContact O-N 2.9Å
169E43.4Very low37.2Very low146 Ų14697.1 Ų97.168%0.68251%0.511SS*.  trans-49.5146154.9-72-58.6147.400108.8R167 S171R167-E169 VanDerWaalsContact C-N 3.26Å; R167-E169 PolarHBondContact O-N 2.82Å; E169-S171 PolarHBondContact O-N 3.28Å
170H36.7Very low37.1Very low129 Ų12997.8 Ų97.860%0.59752%0.52SS*.  trans-69.371.6-166-63.888.7000112.8N172H170-N172 PolarHBondContact O-N 3.07Å
171S41.4Very low36.8Very low36 Ų3692.8 Ų92.825%0.25252%0.515SS..THydrogen-bonded Turntrans-65.7-8.7-166.758.70000115.1K77 E169K77-S171 PolarHBondContact NZ-O 3.33Å; E169-S171 PolarHBondContact O-N 3.28Å
172N40.3Very low36.8Very low42 Ų4296.2 Ų96.223%0.22554%0.535CS..THydrogen-bonded Turntrans-108.348.8-180-65.7-39.7000113.2F90 H170F90-N172 HydrophobicContact CD1-CB 4.35Å; F90-N172 HydrophobicContact CE1-CB 4.47Å; H170-N172 PolarHBondContact O-N 3.07Å
173G35Very low36.8Very low72 Ų72100.6 Ų100.674%0.74255%0.553SS**THydrogen-bonded Turntrans73.759.4146.300000118.5
174T29.1Very low36.8Very low126 Ų12699 Ų9977%0.77355%0.548SS*.  trans-125.3125.9146.2-32.60000108.3L176T174-L176 PolarHBondContact O-N 3.17Å; T174-L176 VanDerWaalsContact O-N 3.12Å
175V29.6Very low36.6Very low135 Ų135103.1 Ų103.182%0.81857%0.573SS**  trans-69.4109.5179.1176.60000108.9
176L27.4Very low36.3Very low150 Ų150107 Ų10779%0.78560%0.597SS**  trans-77.3134.1149.1-75.5178.7000107.7T174 Q178T174-L176 PolarHBondContact O-N 3.17Å; T174-L176 VanDerWaalsContact O-N 3.12Å; L176-Q178 PolarHBondContact O-N 3.39Å; L176-Q178 VanDerWaalsContact O-N 3.09Å
177Q29.7Very low36.4Very low166 Ų166112.9 Ų112.978%0.77663%0.628SS**  trans-67.3103.6-175.4-179.3175-15.500109.7
178Q30.4Very low36.3Very low181 Ų181113.4 Ų113.485%0.84666%0.656SS**  trans-67.7133.4158-81.3179.6-66.900108.1L176 V180L176-Q178 PolarHBondContact O-N 3.39Å; L176-Q178 VanDerWaalsContact O-N 3.09Å; Q178-V180 PolarHBondContact O-N 3.01Å; Q178-V180 VanDerWaalsContact O-N 3.11Å
179D28.6Very low36.7Very low146 Ų146117.9 Ų117.978%0.78169%0.687SS**  trans-67.2108.8176.2-67-60.8000109.7
180V32.8Very low37Very low123 Ų123113.9 Ų113.975%0.74569%0.685SS**  trans-70.7125.9172179.20000107.8Q178 V182Q178-V180 PolarHBondContact O-N 3.01Å; Q178-V180 VanDerWaalsContact O-N 3.11Å; V180-V182 PolarHBondContact O-N 2.79Å
181P31.6Very low37.1Very low105 Ų105115.8 Ų115.868%0.68269%0.694SS**  trans-61.9121.7175.625.4-33.2000109.7I183P181-I183 PolarHBondContact O-N 3.16Å; P181-I183 VanDerWaalsContact O-N 3.08Å
182V32.8Very low36.8Very low129 Ų129120.7 Ų120.778%0.78271%0.713SS**  trans-73.9101.7177.91790000108.4V180 T184V180-V182 PolarHBondContact O-N 2.79Å; V182-T184 PolarHBondContact O-N 2.87Å
183I35.9Very low36.7Very low147 Ų147124.6 Ų124.675%0.75474%0.739SS**  trans-78.498.5173.8-56.4177.3000108.3P181 T185P181-I183 PolarHBondContact O-N 3.16Å; P181-I183 VanDerWaalsContact O-N 3.08Å; I183-T185 HydrophobicContact CG2-CG2 4.22Å
184T38.3Very low36.7Very low79 Ų79127.5 Ų127.549%0.48575%0.745SS.*  trans-87.9114.6170.4-51.50000109.6V182 E192V182-T184 PolarHBondContact O-N 2.87Å; T184-E192 HydrophobicContact CG2-CG 4.13Å
185T39.4Very low36.9Very low116 Ų116128 Ų12871%0.71275%0.747SS**  trans-98.9115.2172.554.10000110.3I183I183-T185 HydrophobicContact CG2-CG2 4.22Å
186T39.6Very low36.9Very low96 Ų96126.2 Ų126.259%0.58975%0.747SS**  trans-85.9127.9177.6450000111.4E192T186-E192 HydrophobicContact CG2-CG 4.37Å
187N50.4Low37Very low124 Ų124125.1 Ų125.166%0.66375%0.746SS**  trans-84.5158.5169.8-71.3-13.4000110.4S189 G190N187-S189 PolarHBondContact O-N 3.08Å; N187-G190 PolarHBondContact O-N 2.79Å
188A45.8Very low37Very low122 Ų122123.2 Ų123.2100%1.00875%0.748SS**THydrogen-bonded Turntrans-66.418.4-170.800000116.9
189S52.9Low37Very low105 Ų105120.3 Ų120.373%0.73474%0.743SS**THydrogen-bonded Turntrans-127.21.6173.264.20000114.3N187N187-S189 PolarHBondContact O-N 3.08Å
190G49.9Very low36.9Very low62 Ų62122.8 Ų122.864%0.63975%0.75SS**  trans80.122.716200000118.5N187N187-G190 PolarHBondContact O-N 2.79Å
191E38.4Very low36.8Very low169 Ų169124.9 Ų124.979%0.7976%0.756SS**  trans-110.5138169.1-71.8-167.6126.300112
192E34.8Very low36.6Very low139 Ų139122.7 Ų122.765%0.6575%0.753SS**  trans-107131.2178.7-61.2-176.7160.300110.8T184 T186T184-E192 HydrophobicContact CG2-CG 4.13Å; T186-E192 HydrophobicContact CG2-CG 4.37Å
193T38.7Very low36.6Very low125 Ų125122.9 Ų122.977%0.76776%0.757SS**  trans-142.1130.6173.447.50000112.7
194P34.7Very low36.5Very low133 Ų133121.9 Ų121.986%0.86476%0.763SS**  trans-89.1136.6176.533.5-33000112.2
195V32.3Very low36.2Very low135 Ų135129.6 Ų129.682%0.81878%0.783SS**  trans-109.5137.8177.5179.90000110.4
196A30.8Very low35.8Very low98 Ų98127.1 Ų127.181%0.8178%0.78SS**  trans-124.7126179.100000111.8
197T28.6Very low35.7Very low127 Ų127124.3 Ų124.378%0.77977%0.771SS**  trans-110.6127.7-175.3-300000111
198P31.4Very low35.2Very low126 Ų126121.3 Ų121.382%0.81875%0.752SS**  trans-95.4113.4-176.634-31.7000113.2
199T29.3Very low34.5Very low121 Ų121118 Ų11874%0.74273%0.725SS**  trans-121128.1168.1-56.70000109.6
200Q27.5Very low33.7Very low197 Ų197115.2 Ų115.292%0.92170%0.701SS**PPolyproline II helixtrans-84.2127178.4-66.6-169.4-41.900111.1
201L29.3Very low32.7Very low167 Ų167117.6 Ų117.687%0.87470%0.703SS**PPolyproline II helixtrans-85.9133.6165.9-78.487.6000110.4
202G28.7Very low32.3Very low60 Ų60116.5 Ų116.562%0.61970%0.702SS**PPolyproline II helixtrans-76.9167.5162.100000112S204G202-S204 PolarHBondContact O-N 3.24Å
203P32.2Very low32.1Very low132 Ų132119 Ų11986%0.85771%0.714SS**  trans-72.6112.9-174.929-34.4000112.3R205P203-R205 PolarHBondContact O-N 2.81Å
204S33Very low31.7Very low126 Ų126119.5 Ų119.588%0.88172%0.717SS**  trans-68.8114.4168.542.60000110.7G202G202-S204 PolarHBondContact O-N 3.24Å
205R33.5Very low31.4Very low242 Ų242120.5 Ų120.591%0.91372%0.715SS**  trans-147.5115.5177-163.9169.3-177.6136.6-2.9109.7P203P203-R205 PolarHBondContact O-N 2.81Å
206G30.4Very low31.6Very low63 Ų63119.7 Ų119.765%0.64971%0.712SS**  trans-77.3141-168.800000115
207G36.6Very low31.6Very low38 Ų38124.1 Ų124.139%0.39272%0.716SS.*  trans141.2124.8159.500000113.7G67G67-G207 VanDerWaalsContact CA-CA 3.46Å; G67-G207 WeakPolarHBondContact O-CA 3.32Å
208F39.6Very low32Very low61 Ų61122.4 Ų122.427%0.26872%0.715SS.*  trans-84.2114.7176.5-55-89.6000109E47 Y52E47-F208 WeakPolarHBondContact OE1-CB 3.28Å; E47-F208 WeakPolarHBondContact OE1-CD2 3.2Å; Y52-F208 AromaticContact CE2-CE2 3.99Å; Y52-F208 HydrophobicContact CE2-CE2 3.99Å; Y52-F208 HydrophobicContact CE2-CZ 4.49Å
209A32.3Very low32Very low53 Ų53123.2 Ų123.244%0.43872%0.717SS.*  trans-133.695.2-178.500000109.7F46 T211F46-A209 HydrophobicContact CD1-CB 4.34Å; F46-A209 HydrophobicContact CE1-CB 3.72Å; A209-T211 PolarHBondContact O-N 3.18Å
210L36.5Very low32.2Very low45 Ų45127.2 Ų127.224%0.23672%0.724CS.*  trans-70.297.7-172.3-64.5-179.4000112F8 K22 A23 G45F8-L210 HydrophobicContact CE1-CD2 4.19Å; F8-L210 HydrophobicContact CZ-CD2 4.33Å; K22-L210 PolarHBondContact NZ-O 3.27Å; A23-L210 HydrophobicContact CB-CD1 3.81Å; G45-L210 PolarHBondContact O-N 3.38Å
211T28.6Very low32.8Very low112 Ų112123.6 Ų123.669%0.68772%0.718SS**  trans-116.1110.9171.4-520000108.9A209 Q213A209-T211 PolarHBondContact O-N 3.18Å; T211-Q213 PolarHBondContact O-N 2.84Å
212L30.4Very low33Very low147 Ų147125.6 Ų125.677%0.7772%0.72SS**PPolyproline II helixtrans-63.9123.2169.9-74.5154.8000109
213Q29.2Very low33.3Very low190 Ų190132.1 Ų132.189%0.88873%0.731SS**PPolyproline II helixtrans-91.1140.3166.8-70.5-161.9-81.400110.3T211T211-Q213 PolarHBondContact O-N 2.84Å
214V30.7Very low33.5Very low137 Ų137135.6 Ų135.683%0.8373%0.733SS**PPolyproline II helixtrans-91.6155.6168175.90000108.7
215D29.6Very low33.4Very low154 Ų154132.9 Ų132.982%0.82472%0.724SS**PPolyproline II helixtrans-51.8132.2-166.9-133.7-26.9000115.6
216P35.2Very low33.5Very low118 Ų118129.3 Ų129.377%0.76672%0.723SS**  trans-104.695.5177.136.6-29.8000113.5
217E31.9Very low33.5Very low191 Ų191134.2 Ų134.289%0.89373%0.726SS**  trans-73.1157.3162.6-91.7-134.5109.400112.8
218A35.3Very low33.3Very low91 Ų91142 Ų14275%0.75274%0.744SS**  trans60.794.3170.300000118.5
219V32.1Very low33.1Very low143 Ų143150.7 Ų150.787%0.86778%0.775SS**  179.2137.9108.3150.20000110
220K33.3Very low33Very low204 Ų204152.1 Ų152.189%0.88779%0.794SS**  trans-119.6151.8175.2-81.7178.4178169.90112.4
221P40.4Very low33.3Very low122 Ų122155.6 Ų155.679%0.79282%0.822SS**  trans-103.1170.9-157.539.7-37.7000115.4
222K33.5Very low33.8Very low209 Ų209157.5 Ų157.591%0.90983%0.828SS**  trans-130.3136.9162.3-82.3-174.9175.5176.30112.8
223K34.3Very low34.1Very low197 Ų197158.1 Ų158.186%0.85783%0.831SS**  trans-90.1176.3160.1-60.6172.1177.3172.40107.1
224K37Very low34.1Very low205 Ų205152.4 Ų152.489%0.89182%0.823SS**  cis-175.4154.327.9-153.4173.7-175.8-177.70109.5
225G31.5Very low34.4Very low68 Ų68155.9 Ų155.970%0.70183%0.827SS**  trans94.7160.9163.700000116.8
226L34.9Very low34.5Very low168 Ų168157 Ų15788%0.8883%0.832SS**  cis-143.9-161.44.8-143.470000113.5
227F31.6Very low34.4Very low166 Ų166161 Ų16173%0.72884%0.838SS**  trans-107.8148.4-148.2-80.1-74.9000119.9
228R32.3Very low34.5Very low201 Ų201160 Ų16076%0.75883%0.83SS**  trans74.4133.5135.2-83.8-163.4-66.5-119.14.8124.6
229R34.9Very low34.3Very low244 Ų244161.1 Ų161.192%0.92183%0.832SS**  trans78.2114.1138.6-84-173.9172.4172.6-2120.3
230G29.9Very low34.2Very low82 Ų82161.5 Ų161.585%0.84583%0.825SS**  trans-167.3131.615300000109.4
231S43.3Very low34Very low118 Ų118158 Ų15883%0.82583%0.826SS**  trans-147.3148.7176.11740000108.2
232L38.6Very low33.6Very low152 Ų152157.4 Ų157.480%0.79683%0.825SS**  trans176.1121.7153.6-95.6159.3000111.6
233L35.8Very low33.7Very low161 Ų161153.9 Ų153.984%0.84382%0.821SS**  trans63.7158.6163.9-78.273.5000118
234G30.2Very low33.5Very low70 Ų70149.8 Ų149.872%0.72282%0.817SS**  cis-141.7-165.29.800000115.5
235K36Very low33.2Very low209 Ų209148.4 Ų148.491%0.90982%0.818SS**  trans-110.5152.2-160.4-55.5171-177.6175.30113.8
236L32.1Very low33Very low179 Ų179150.8 Ų150.894%0.93783%0.825SS**  trans-133.8151.1152.6-16463.1000110.1
237K33.9Very low32.7Very low202 Ų202148.4 Ų148.488%0.87882%0.822SS**PPolyproline II helixtrans-85.1138.7-174-71.1-173.6175.6-174.90112.6
238K33.4Very low32.7Very low170 Ų170148.7 Ų148.774%0.73983%0.825SS**PPolyproline II helixtrans-82.2135.8152-171-172-180-159.40108.2E240K238-E240 HydrophobicContact CD-CG 4.4Å; K238-E240 WeakPolarHBondContact CE-OE1 3.35Å; K238-E240 IonicContact NZ-OE1 2.72Å; K238-E240 PolarHBondContact NZ-OE1 2.86Å
239S31.3Very low32.5Very low114 Ų114148.4 Ų148.480%0.79783%0.83SS**PPolyproline II helixtrans-100.8121.3173.553.40000110.1
240E29.2Very low32.2Very low150 Ų150142.8 Ų142.870%0.70183%0.828SS**  trans-111.3124.8170.7-63.9-175.8166.800108.3K238K238-E240 HydrophobicContact CD-CG 4.4Å; K238-E240 WeakPolarHBondContact CE-OE1 3.35Å; K238-E240 IonicContact NZ-OE1 2.72Å; K238-E240 PolarHBondContact NZ-OE1 2.86Å
241S30.6Very low32.3Very low130 Ų130148.1 Ų148.191%0.90983%0.828SS**  trans-101.598.1-175.755.10000110.2
242S32.1Very low31.6Very low111 Ų111150.8 Ų150.878%0.77683%0.831SS**  trans-93.3129.1174.5490000111.8
243T33.7Very low30.9Very low135 Ų135148.5 Ų148.583%0.82883%0.828SS**  trans-156151.1150.750.50000109.1
244S30.2Very low30.6Very low111 Ų111150.5 Ų150.578%0.77683%0.83SS**  cis-156.8133.4-34.3-89.60000107.5
245L30.7Very low30.5Very low175 Ų175155.4 Ų155.492%0.91684%0.839SS**  trans-80.4128.9170.3-77.1166.5000110.5
246S29.2Very low30.3Very low119 Ų119154.4 Ų154.483%0.83283%0.829SS**  174.2122.2127.442.80000112.6
247S27.7Very low30Very low118 Ų118151.9 Ų151.983%0.82582%0.822SS**  -173.1117.4116.4-168.70000109.2
248Q30.9Very low29.8Very low171 Ų171148 Ų14880%0.79981%0.807SS**  trans-86.7163.1165-77.3-175.7-34.200109.9
249K28.9Very low29.7Very low195 Ų195144.6 Ų144.685%0.84880%0.804SS**  trans81.494.6170.5-48.5176.2-175.4179.60115.7
250S29.3Very low29.7Very low127 Ų127143.3 Ų143.389%0.88880%0.8SS**  -141.7142.4113.1-83.50000108.7
251K32.1Very low30Very low194 Ų194142 Ų14284%0.84380%0.797SS**  trans-99158.3169.6-66.8-176.1175.9-174.90108.4
252I26.8Very low30Very low173 Ų173136.9 Ų136.989%0.88776%0.762SS**  trans71.7136.7172.8-54.3153.9000111.4
253S25.6Very low30.3Very low104 Ų104132.4 Ų132.473%0.72773%0.73SS**  cis-129.3166.710.250.90000113.3
254F29.5Very low30.5Very low204 Ų204128.6 Ų128.690%0.89571%0.705SS**  trans-64.2144.6165.6-62.7-103.1000111.5
255L27.5Very low30.9Very low172 Ų172125.2 Ų125.290%0.90168%0.683SS**  -161.2137.2123.8-106.2173000109
256R31.3Very low31.5Very low189 Ų189117.4 Ų117.471%0.71364%0.644SS**  trans-92.1135.8-177.4-171.9177.1-173.5167.2-0.6109.1E258R256-E258 IonicContact CZ-OE1 3.7Å; R256-E258 IonicContact NE-OE1 3.94Å; R256-E258 PolarHBondContact NE-OE1 3.2Å; R256-E258 IonicContact NH2-OE1 2.64Å; R256-E258 PolarHBondContact NH2-OE1 2.81Å
257T26Very low32Very low126 Ų126113.3 Ų113.377%0.77361%0.612SS**  trans-152.6108.3167.2-48.20000108.6
258E30.3Very low32.5Very low121 Ų121111.1 Ų111.157%0.56559%0.594SS**  trans-97.3117.4177.6-69.6176.5-138.200108.7R256R256-E258 IonicContact CZ-OE1 3.7Å; R256-E258 IonicContact NE-OE1 3.94Å; R256-E258 PolarHBondContact NE-OE1 3.2Å; R256-E258 IonicContact NH2-OE1 2.64Å; R256-E258 PolarHBondContact NH2-OE1 2.81Å
259S30.6Very low32.5Very low98 Ų98109.9 Ų109.969%0.68559%0.593SS**  trans-164.673.5-176.1-65.70000109.6
260A32.4Very low32.4Very low86 Ų86104.9 Ų104.971%0.71158%0.582SS**  trans-160.339.3-169.200000115.9
261L34.1Very low32.4Very low123 Ų123106 Ų10664%0.64458%0.584SS**  trans-124.330.2-171.9-72.5178.6000116.4E288L261-E288 PolarHBondContact N-OE2 3.2Å
262S30.8Very low32.3Very low23 Ų23103.3 Ų103.316%0.16158%0.578CS.*SBendtrans-84.4136.1168.7350000115.3N264 E288 R331 N352S262-N264 PolarHBondContact O-N 3.12Å; S262-E288 WeakPolarHBondContact CB-OE1 3.36Å; S262-E288 PolarHBondContact N-OE1 2.94Å; S262-E288 VanDerWaalsContact N-OE1 3.16Å; S262-E288 PolarHBondContact OG-OE1 2.94Å; S262-R331 PolarHBondContact OG-NH2 2.88Å; S262-N352 PolarHBondContact O-ND2 3.3Å
263S39.5Very low32.4Very low16 Ų16100.4 Ų100.411%0.11257%0.572CS.*SBendtrans68.8-3.2161.769.90000120.1R308S263-R308 PolarHBondContact O-NH2 3.01Å
264N36.7Very low32.6Very low56 Ų5699.3 Ų99.330%0.29958%0.578SS.*  trans-87.6-18.2171.2-91.252.6000114S262 S266 D267 T268 N352S262-N264 PolarHBondContact O-N 3.12Å; N264-S266 PolarHBondContact O-N 3.47Å; N264-D267 PolarHBondContact O-N 2.9Å; N264-D267 VanDerWaalsContact O-N 3.15Å; N264-T268 PolarHBondContact ND2-OG1 2.69Å; N264-T268 VanDerWaalsContact ND2-OG1 3.1Å; N264-T268 PolarHBondContact O-N 3.21Å; N264-T268 VanDerWaalsContact O-N 3.1Å; N264-T268 PolarHBondContact O-OG1 2.87Å; N264-N352 PolarHBondContact OD1-ND2 3.33Å
265A38.6Very low32.5Very low39 Ų3997.1 Ų97.132%0.32258%0.575SS.*THydrogen-bonded Turntrans-63.9-15.4-165.900000116Y149Y149-A265 HydrophobicContact CE1-CB 4.35Å
266S43.7Very low33Very low12 Ų1297.1 Ų97.18%0.08457%0.571CS.*THydrogen-bonded Turntrans-98.3-2.7178.366.20000114.7R144 N264 E297R144-S266 PolarHBondContact NH1-OG 2.93Å; R144-S266 PolarHBondContact NH2-O 2.92Å; N264-S266 PolarHBondContact O-N 3.47Å; S266-E297 PolarHBondContact OG-OE2 3.38Å
267D39.3Very low33Very low33 Ų3393 Ų9318%0.17657%0.571CS.*THydrogen-bonded Turntrans-140.2-6.8178.7-73.7-50.8000115.2R144 N264R144-D267 IonicContact CZ-OD1 2.73Å; R144-D267 IonicContact CZ-OD2 3.91Å; R144-D267 IonicContact NE-OD1 2.69Å; R144-D267 VanDerWaalsContact NH2-CG 3.3Å; R144-D267 IonicContact NH2-OD1 2.69Å; R144-D267 PolarHBondContact NH2-OD1 3.17Å; R144-D267 IonicContact NH2-OD2 3.89Å; N264-D267 PolarHBondContact O-N 2.9Å; N264-D267 VanDerWaalsContact O-N 3.15Å
268T37.9Very low33.4Very low72 Ų7295 Ų9544%0.44258%0.576SS.*SBendtrans-149137.6177.355.40000114.5N264N264-T268 PolarHBondContact ND2-OG1 2.69Å; N264-T268 VanDerWaalsContact ND2-OG1 3.1Å; N264-T268 PolarHBondContact O-N 3.21Å; N264-T268 VanDerWaalsContact O-N 3.1Å; N264-T268 PolarHBondContact O-OG1 2.87Å
269N31Very low33.6Very low144 Ų14493.9 Ų93.977%0.7759%0.587SS**  trans-55.5158.1178.3-62.44.1000115.3
270S27.5Very low33.7Very low90 Ų9093.1 Ų93.163%0.62960%0.595SS**  trans-148122.6147.7-70.70000109
271T28.4Very low33.7Very low151 Ų15194.1 Ų94.193%0.92660%0.603SS**  trans-78.6132.8167.427.40000109.3
272I31.7Very low33.9Very low138 Ų13897.3 Ų97.371%0.70862%0.615SS**  trans-128.6119.4165.2-170.1166.2000108.3
273S29.2Very low34.3Very low111 Ų111103 Ų10378%0.77664%0.643SS**  trans-79.4128.1169.7500000108.4
274G29.6Very low33.9Very low81 Ų81111.6 Ų111.684%0.83568%0.679SS**  trans-65.2144.7175.100000112.3
275D26Very low33.9Very low158 Ų158113.9 Ų113.985%0.84570%0.697SS**  trans-149.1149.7161-169.616.8000107.1
276E38.6Very low33.8Very low173 Ų173118.2 Ų118.281%0.80871%0.714SS**  trans-115.4159.5-159.5-153-176.110900112.8
277S31.8Very low33.7Very low102 Ų102122.6 Ų122.671%0.71374%0.74SS**  trans66.1149.7-174.1-61.70000114.6
278L33.4Very low34.2Very low168 Ų168124.7 Ų124.788%0.8875%0.749SS**  cis-151.2162.127.1-147.8138.4000110.7
279A34.1Very low34.4Very low97 Ų97123.7 Ų123.780%0.80275%0.748SS**  trans-79.6157.9-169.600000116.3
280G33.7Very low35.6Very low83 Ų83124.4 Ų124.486%0.85675%0.752SS**  trans11479.3148.200000118.3
281A31.9Very low37.5Very low106 Ų106123 Ų12388%0.87674%0.737SS**  trans-155.7117.5156.400000110.8
282E39.3Very low39.8Very low191 Ų191119.5 Ų119.589%0.89371%0.712SS**  trans-82.3161.1-179.3-73.3-81.1113.200113.4
283D39.3Very low42.1Very low142 Ų142115.6 Ų115.676%0.75970%0.701SS**  trans66.162.6155.3-157.821.3000119.3
284F30.8Very low44.8Very low197 Ų197115.1 Ų115.186%0.86469%0.693SS**  trans-143.9131.5138.4-86.6-76.8000109.7L286F284-L286 PolarHBondContact O-N 2.99Å
285P35.6Very low47.6Very low104 Ų104111.5 Ų111.568%0.67566%0.655SS**  trans-66.3127.317626.4-33.3000110.8V287P285-V287 HydrophobicContact CB-CG2 4.49Å; P285-V287 WeakPolarHBondContact O-CG2 2.96Å; P285-V287 PolarHBondContact O-N 3.07Å
286L36.3Very low50.6Low129 Ų129105.6 Ų105.668%0.67562%0.624SS**  trans-82.480.6-174.2-154.8168.2000109.3F284 E288 A289F284-L286 PolarHBondContact O-N 2.99Å; L286-E288 HydrophobicContact CD2-CB 4.5Å; L286-E288 PolarHBondContact O-N 3.12Å; L286-A289 HydrophobicContact CB-CB 4.34Å; L286-A289 HydrophobicContact CD2-CB 4.09Å; L286-A289 WeakPolarHBondContact O-CB 3.31Å; L286-A289 PolarHBondContact O-N 3.05Å
287V41.7Very low53Low105 Ų10597.5 Ų97.564%0.63659%0.587SS**THydrogen-bonded Turntrans-75.125-175.2-160.70000113.7P285 F339P285-V287 HydrophobicContact CB-CG2 4.49Å; P285-V287 WeakPolarHBondContact O-CG2 2.96Å; P285-V287 PolarHBondContact O-N 3.07Å; V287-F339 HydrophobicContact CG1-CD1 3.99Å; V287-F339 HydrophobicContact CG1-CE1 3.86Å
288E50.4Low56.1Low77 Ų7794.5 Ų94.536%0.3656%0.564SS.*THydrogen-bonded Turntrans-125.213.7158.8-66.1-166.2157.900111.7L261 S262 L286L261-E288 PolarHBondContact N-OE2 3.2Å; S262-E288 WeakPolarHBondContact CB-OE1 3.36Å; S262-E288 PolarHBondContact N-OE1 2.94Å; S262-E288 VanDerWaalsContact N-OE1 3.16Å; S262-E288 PolarHBondContact OG-OE1 2.94Å; L286-E288 HydrophobicContact CD2-CB 4.5Å; L286-E288 PolarHBondContact O-N 3.12Å
289A42.2Very low59.1Low51 Ų5186.6 Ų86.642%0.42152%0.522SS..  trans-66.1150.4169.400000111.2L286 I291L286-A289 HydrophobicContact CB-CB 4.34Å; L286-A289 HydrophobicContact CD2-CB 4.09Å; L286-A289 WeakPolarHBondContact O-CB 3.31Å; L286-A289 PolarHBondContact O-N 3.05Å; A289-I291 PolarHBondContact O-N 3.4Å
290D57.1Low62.2Low158 Ų15883.9 Ų83.985%0.84549%0.493SS*.  trans47.160.8160.8-50.8-19.8000114.7D292D290-D292 PolarHBondContact O-N 2.73Å
291I67Low65.2Low61 Ų6179.9 Ų79.931%0.31345%0.453SS..  trans-66.489.4154.9-54.6176.2000107Y149 A289 T295 R316Y149-I291 HydrophobicContact CD2-CG2 3.28Å; Y149-I291 HydrophobicContact CE2-CG2 3.73Å; Y149-I291 HydrophobicContact CG-CG2 3.85Å; A289-I291 PolarHBondContact O-N 3.4Å; I291-T295 HydrophobicContact CG2-CG2 4.34Å; I291-R316 VanDerWaalsContact CD1-NH2 3.34Å
292D75.9Confident68.4Low78 Ų7877 Ų7742%0.41742%0.421SS..  trans-51.2144.7-178.6164.160.7000112.8D290 T294 T295D290-D292 PolarHBondContact O-N 2.73Å; D292-T294 PolarHBondContact O-N 3.28Å; D292-T294 VanDerWaalsContact O-N 3.17Å; D292-T294 WeakPolarHBondContact OD2-CA 3.48Å; D292-T294 VanDerWaalsContact OD2-CB 3.23Å; D292-T294 WeakPolarHBondContact OD2-CB 3.38Å; D292-T294 WeakPolarHBondContact OD2-CG2 3.46Å; D292-T294 PolarHBondContact OD2-N 3.01Å; D292-T294 PolarHBondContact OD2-OG1 3.11Å; D292-T295 WeakPolarHBondContact O-CB 3.49Å; D292-T295 PolarHBondContact O-N 2.62Å; D292-T295 PolarHBondContact O-OG1 3Å; D292-T295 VanDerWaalsContact O-OG1 3.13Å
293A80.2Confident71.1Confident56 Ų5668.2 Ų68.246%0.46338%0.38SS..THydrogen-bonded Turntrans-58.2-29.8-176.700000113.6P148 Y149 G150 T295P148-A293 CarbonylContact C-O 3.57Å; P148-A293 WeakPolarHBondContact CB-O 3.44Å; Y149-A293 PolarHBondContact N-O 3.22Å; G150-A293 PolarHBondContact N-O 2.89Å; A293-T295 VanDerWaalsContact C-N 3.27Å; A293-T295 PolarHBondContact O-N 2.85Å
294T86.2Confident73.8Confident100 Ų10067.4 Ų67.461%0.61337%0.369SS*.THydrogen-bonded Turntrans-77.9-11.8177.980.30000113.3D292D292-T294 PolarHBondContact O-N 3.28Å; D292-T294 VanDerWaalsContact O-N 3.17Å; D292-T294 WeakPolarHBondContact OD2-CA 3.48Å; D292-T294 VanDerWaalsContact OD2-CB 3.23Å; D292-T294 WeakPolarHBondContact OD2-CB 3.38Å; D292-T294 WeakPolarHBondContact OD2-CG2 3.46Å; D292-T294 PolarHBondContact OD2-N 3.01Å; D292-T294 PolarHBondContact OD2-OG1 3.11Å
295T87.1Confident76.6Confident5 Ų561.8 Ų61.83%0.03135%0.348CS..  trans-69.9131.3-168.3-66.70000112.8P148 Y149 I291 D292 A293 R316 S317P148-T295 CarbonylContact C-O 3.52Å; P148-T295 WeakPolarHBondContact CA-O 3.29Å; Y149-T295 HydrophobicContact CD2-CG2 3.72Å; Y149-T295 WeakPolarHBondContact CD2-O 3.43Å; Y149-T295 HydrophobicContact CE2-CG2 3.83Å; Y149-T295 PolarHBondContact N-O 3.03Å; I291-T295 HydrophobicContact CG2-CG2 4.34Å; D292-T295 WeakPolarHBondContact O-CB 3.49Å; D292-T295 PolarHBondContact O-N 2.62Å; D292-T295 PolarHBondContact O-OG1 3Å; D292-T295 VanDerWaalsContact O-OG1 3.13Å; A293-T295 VanDerWaalsContact C-N 3.27Å; A293-T295 PolarHBondContact O-N 2.85Å; T295-R316 VanDerWaalsContact CG2-CD 3.48Å; T295-R316 HydrophobicContact CG2-CG 3.28Å; T295-S317 WeakPolarHBondContact CA-OG 3.26Å
296T89.3Confident79.3Confident34 Ų3457.4 Ų57.421%0.20932%0.319CS..  trans-112.9158.4178.152.50000112.2P148 R316 S317P148-T296 HydrophobicContact CB-CG2 4.46Å; P148-T296 HydrophobicContact CG-CG2 3.96Å; T296-R316 CarbonylContact O-C 3.52Å; T296-R316 VanDerWaalsContact O-CA 3.25Å; T296-R316 WeakPolarHBondContact O-CA 3.34Å; T296-R316 WeakPolarHBondContact O-CG 3.47Å; T296-S317 PolarHBondContact N-OG 3.1Å; T296-S317 PolarHBondContact O-N 3.19Å
297E90.4Very high81.9Confident4 Ų455.8 Ų55.82%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-123.2124.8175.2-173.7-177.518000111.2S146 Y149 S266 R308 S314S146-E297 PolarHBondContact N-O 2.92Å; S146-E297 PolarHBondContact OG-N 3.25Å; Y149-E297 PolarHBondContact OH-OE2 3.42Å; S266-E297 PolarHBondContact OG-OE2 3.38Å; E297-R308 IonicContact OE1-CZ 2.76Å; E297-R308 IonicContact OE1-NH1 2.83Å; E297-R308 PolarHBondContact OE1-NH1 2.82Å; E297-R308 IonicContact OE2-NH1 3.77Å; E297-S314 WeakPolarHBondContact CG-OG 3.41Å; E297-S314 PolarHBondContact OE1-OG 2.7Å
298V95.9Very high84.4Confident39 Ų3950.9 Ų50.924%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-108.1121.6171.7-179.80000109.4V143 R144 Q145 M300 S314 E315V143-V298 HydrophobicContact CG1-CG1 4.18Å; R144-V298 CarbonylContact O-C 3.56Å; R144-V298 VanDerWaalsContact O-CA 3.3Å; R144-V298 WeakPolarHBondContact O-CA 3.25Å; Q145-V298 HydrophobicContact CB-CG2 4.37Å; Q145-V298 HydrophobicContact CG-CG2 4.14Å; V298-M300 HydrophobicContact CG1-CE 4.01Å; V298-M300 HydrophobicContact CG1-CG 4.1Å; V298-S314 WeakPolarHBondContact O-CA 3.12Å; V298-E315 PolarHBondContact N-O 3.17Å; V298-E315 PolarHBondContact O-N 3.01Å
299Y97.4Very high86.5Confident2 Ų248 Ų481%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-107.5134.5172.1178.3-96.1000111.4V143 R144 E302 W303 R308 I313 W326V143-Y299 CarbonylContact C-O 3.53Å; V143-Y299 VanDerWaalsContact CA-O 3.27Å; V143-Y299 WeakPolarHBondContact CA-O 3.48Å; R144-Y299 PolarHBondContact N-O 2.95Å; R144-Y299 PolarHBondContact O-N 3.02Å; Y299-E302 PolarHBondContact OH-O 3.4Å; Y299-W303 AromaticContact CD1-CE2 3.62Å; Y299-W303 HydrophobicContact CD1-CH2 4.35Å; Y299-W303 AromaticContact CD1-CZ2 3.4Å; Y299-W303 HydrophobicContact CD1-CZ2 3.4Å; Y299-W303 VanDerWaalsContact CD1-CZ2 3.4Å; Y299-W303 AromaticContact CD1-NE1 3.58Å; Y299-W303 AromaticContact CE1-CE2 3.73Å; Y299-W303 AromaticContact CE1-CZ2 3.94Å; Y299-W303 HydrophobicContact CE1-CZ2 3.94Å; Y299-W303 AromaticContact CE1-NE1 3.51Å; Y299-W303 HydrophobicContact CG-CZ2 4.3Å; Y299-R308 HydrophobicContact CD1-CG 3.97Å; Y299-R308 VanDerWaalsContact CD2-CD 3.47Å; Y299-R308 HydrophobicContact CD2-CG 4.22Å; Y299-R308 HydrophobicContact CE1-CB 4.1Å; Y299-R308 HydrophobicContact CE1-CG 3.85Å; Y299-R308 HydrophobicContact CE2-CB 4.16Å; Y299-R308 HydrophobicContact CE2-CG 4.14Å; Y299-R308 HydrophobicContact CG-CG 4.12Å; Y299-I313 CarbonylContact C-O 3.53Å; Y299-I313 WeakPolarHBondContact CA-O 3.02Å; Y299-I313 WeakPolarHBondContact CD2-O 3.31Å; Y299-W326 HydrophobicContact CD2-CZ2 4.09Å; Y299-W326 AromaticContact CE2-CD1 3.99Å; Y299-W326 AromaticContact CE2-CD2 3.97Å; Y299-W326 HydrophobicContact CE2-CD2 3.97Å; Y299-W326 AromaticContact CE2-CE2 3.56Å; Y299-W326 HydrophobicContact CE2-CG 4.19Å; Y299-W326 AromaticContact CE2-CZ2 3.89Å; Y299-W326 HydrophobicContact CE2-CZ2 3.89Å; Y299-W326 AromaticContact CE2-NE1 3.61Å
300M98.3Very high89.1Confident39 Ų3947 Ų4719%0.19226%0.26CS..EExtended strand (participates in β ladder)trans-132.3110.2178.6-56.8-168.3146.200110.1V143 V298 G312 I313 A385 A388 K389V143-M300 HydrophobicContact CB-CE 4.47Å; V143-M300 HydrophobicContact CG1-CE 3.67Å; V143-M300 HydrophobicContact CG1-CG 4.14Å; V143-M300 HydrophobicContact CG2-CE 3.9Å; V143-M300 HydrophobicContact CG2-CG 4.07Å; V298-M300 HydrophobicContact CG1-CE 4.01Å; V298-M300 HydrophobicContact CG1-CG 4.1Å; M300-G312 CarbonylContact O-C 3.52Å; M300-G312 VanDerWaalsContact O-CA 3.29Å; M300-G312 WeakPolarHBondContact O-CA 3.42Å; M300-I313 PolarHBondContact N-O 2.73Å; M300-I313 PolarHBondContact O-N 2.86Å; M300-A385 HydrophobicContact CB-CB 3.76Å; M300-A388 HydrophobicContact CB-CB 4.46Å; M300-K389 HydrophobicContact CE-CD 4.43Å; M300-K389 HydrophobicContact CE-CG 4Å; M300-K389 HydrophobicContact SD-CD 4.23Å; M300-K389 WeakPolarHBondContact SD-CE 3.44Å; M300-K389 HydrophobicContact SD-CG 3.97Å
301G97.7Very high91.1Very high0 Ų043.5 Ų43.50%024%0.235CC..EExtended strand (participates in β ladder)trans166.9-149.8-179.800000114.5G142 Y311G142-G301 PolarHBondContact N-O 3.49Å; G142-G301 VanDerWaalsContact N-O 3.11Å; G142-G301 PolarHBondContact O-N 3.27Å; G301-Y311 WeakPolarHBondContact CA-O 3.48Å
302E98.1Very high92.5Very high46 Ų4640.6 Ų40.622%0.21522%0.22CC..EExtended strand (participates in β ladder)trans-87.9142.4-176.5-68.9-179.6-71.600113.5G140 Y141 Y299 S309 G310 Y311 A384G140-E302 CarbonylContact O-C 3.58Å; G140-E302 WeakPolarHBondContact O-CA 3.1Å; Y141-E302 HydrophobicContact CD1-CG 3.79Å; Y141-E302 HydrophobicContact CE1-CG 3.27Å; Y141-E302 HydrophobicContact CE2-CG 4.19Å; Y141-E302 HydrophobicContact CG-CG 4.43Å; Y141-E302 VanDerWaalsContact CZ-CG 3.48Å; Y141-E302 VanDerWaalsContact OH-CD 3.27Å; Y141-E302 PolarHBondContact OH-OE2 3.03Å; Y299-E302 PolarHBondContact OH-O 3.4Å; E302-S309 CarbonylContact C-O 3.57Å; E302-S309 VanDerWaalsContact C-O 3.24Å; E302-S309 WeakPolarHBondContact CB-O 3.36Å; E302-S309 PolarHBondContact O-N 2.85Å; E302-S309 VanDerWaalsContact O-O 3.1Å; E302-G310 WeakPolarHBondContact OE1-CA 3.21Å; E302-Y311 PolarHBondContact N-O 2.84Å; E302-Y311 PolarHBondContact OE1-N 3.4Å; E302-A384 HydrophobicContact CG-CB 4.49Å
303W96.6Very high93.6Very high6 Ų637.6 Ų37.62%0.02320%0.204CC..EExtended strand (participates in β ladder)trans-130.1140.9-175.4-69.884.5000110.2Y129 R138 H139 G140 G142 R144 Y299 D306 K307 R308Y129-W303 HydrophobicContact CD2-CZ2 4.26Å; Y129-W303 AromaticContact CE2-CD1 3.85Å; Y129-W303 HydrophobicContact CE2-CD2 4.02Å; Y129-W303 AromaticContact CE2-CE2 3.66Å; Y129-W303 HydrophobicContact CE2-CG 4.12Å; Y129-W303 HydrophobicContact CE2-CZ2 4.19Å; Y129-W303 AromaticContact CE2-NE1 3.54Å; R138-W303 HydrophobicContact CB-CE3 4.4Å; H139-W303 CarbonylContact C-O 3.53Å; H139-W303 WeakPolarHBondContact CA-O 3.29Å; G140-W303 PolarHBondContact N-O 3.05Å; G140-W303 PolarHBondContact O-N 3.23Å; G142-W303 PolarHBondContact O-NE1 3.47Å; R144-W303 HydrophobicContact CB-CH2 4.09Å; R144-W303 HydrophobicContact CB-CZ2 3.67Å; Y299-W303 AromaticContact CD1-CE2 3.62Å; Y299-W303 HydrophobicContact CD1-CH2 4.35Å; Y299-W303 AromaticContact CD1-CZ2 3.4Å; Y299-W303 HydrophobicContact CD1-CZ2 3.4Å; Y299-W303 VanDerWaalsContact CD1-CZ2 3.4Å; Y299-W303 AromaticContact CD1-NE1 3.58Å; Y299-W303 AromaticContact CE1-CE2 3.73Å; Y299-W303 AromaticContact CE1-CZ2 3.94Å; Y299-W303 HydrophobicContact CE1-CZ2 3.94Å; Y299-W303 AromaticContact CE1-NE1 3.51Å; Y299-W303 HydrophobicContact CG-CZ2 4.3Å; W303-D306 WeakPolarHBondContact CZ3-O 3.18Å; W303-K307 WeakPolarHBondContact CA-O 3.31Å; W303-R308 HydrophobicContact CE3-CG 4.45Å; W303-R308 HydrophobicContact CH2-CG 3.7Å; W303-R308 HydrophobicContact CZ2-CG 4.08Å; W303-R308 HydrophobicContact CZ3-CG 3.91Å
304K95.4Very high94.3Very high125 Ų12535.5 Ų35.554%0.54319%0.186SC..EExtended strand (participates in β ladder)trans-144.2110.5175.2-171.3175.8-173.9175.20110.1K307K304-K307 PolarHBondContact N-O 2.69Å; K304-K307 PolarHBondContact O-N 3.35Å
305N90.8Very high94.7Very high78 Ų7835.9 Ų35.942%0.41718%0.181SC..THydrogen-bonded Turntrans54.860.9175.7-54.912.9000110.5M137 R138 H139 K307M137-N305 HydrophobicContact SD-CB 3.85Å; R138-N305 PolarHBondContact O-N 2.95Å; H139-N305 PolarHBondContact ND1-OD1 3Å; H139-N305 VanDerWaalsContact ND1-OD1 3.08Å; N305-K307 PolarHBondContact O-N 2.93Å; N305-K307 VanDerWaalsContact O-N 3.16Å
306D90.4Very high94.9Very high12 Ų1237.4 Ų37.46%0.06419%0.186CC..THydrogen-bonded Turntrans66.30.6-176.4-61.2-28.8000116.9M137 R138 R167 W303M137-D306 WeakPolarHBondContact CA-OD1 3.35Å; R138-D306 IonicContact CZ-OD1 3.76Å; R138-D306 PolarHBondContact N-OD1 3.48Å; R138-D306 IonicContact NE-OD1 3.59Å; R138-D306 IonicContact NH1-OD1 3.5Å; R138-D306 PolarHBondContact NH2-O 2.99Å; R138-D306 PolarHBondContact O-N 3.15Å; R167-D306 IonicContact CZ-OD2 3.83Å; R167-D306 IonicContact NE-OD2 3.74Å; R167-D306 PolarHBondContact NE-OD2 2.97Å; R167-D306 IonicContact NH2-OD2 3.79Å; R167-D306 PolarHBondContact NH2-OD2 2.9Å; W303-D306 WeakPolarHBondContact CZ3-O 3.18Å
307K91Very high95Very high96 Ų9639.2 Ų39.242%0.41720%0.201SC..EExtended strand (participates in β ladder)trans-115.1135-175.5-60174.8-175.4178.30114.3W303 K304 N305 S309 N328 N329W303-K307 WeakPolarHBondContact CA-O 3.31Å; K304-K307 PolarHBondContact N-O 2.69Å; K304-K307 PolarHBondContact O-N 3.35Å; N305-K307 PolarHBondContact O-N 2.93Å; N305-K307 VanDerWaalsContact O-N 3.16Å; K307-S309 PolarHBondContact O-N 3.26Å; K307-S309 PolarHBondContact O-OG 3.4Å; K307-N328 HydrophobicContact CD-CB 4.31Å; K307-N329 WeakPolarHBondContact CA-OD1 3.37Å; K307-N329 WeakPolarHBondContact CB-OD1 3.26Å
308R93.9Very high94.8Very high2 Ų241.5 Ų41.51%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-54.7119.2167.9-51.9-177.4-72.1-157.21.1109.3S263 E297 Y299 W303 W326 N328 N329S263-R308 PolarHBondContact O-NH2 3.01Å; E297-R308 IonicContact OE1-CZ 2.76Å; E297-R308 IonicContact OE1-NH1 2.83Å; E297-R308 PolarHBondContact OE1-NH1 2.82Å; E297-R308 IonicContact OE2-NH1 3.77Å; Y299-R308 HydrophobicContact CD1-CG 3.97Å; Y299-R308 VanDerWaalsContact CD2-CD 3.47Å; Y299-R308 HydrophobicContact CD2-CG 4.22Å; Y299-R308 HydrophobicContact CE1-CB 4.1Å; Y299-R308 HydrophobicContact CE1-CG 3.85Å; Y299-R308 HydrophobicContact CE2-CB 4.16Å; Y299-R308 HydrophobicContact CE2-CG 4.14Å; Y299-R308 HydrophobicContact CG-CG 4.12Å; W303-R308 HydrophobicContact CE3-CG 4.45Å; W303-R308 HydrophobicContact CH2-CG 3.7Å; W303-R308 HydrophobicContact CZ2-CG 4.08Å; W303-R308 HydrophobicContact CZ3-CG 3.91Å; R308-W326 HydrophobicContact CB-CD2 4.46Å; R308-W326 HydrophobicContact CB-CE3 4.22Å; R308-N328 PolarHBondContact O-N 2.85Å; R308-N329 PolarHBondContact N-OD1 3.42Å; R308-N329 PolarHBondContact NH2-O 3.05Å; R308-N329 PolarHBondContact O-N 2.97Å
309S95.4Very high94.4Very high16 Ų1641.5 Ų41.511%0.11222%0.224CC..EExtended strand (participates in β ladder)trans-160.7132.8-172.3-60.60000110.5E302 K307 W326 N328E302-S309 CarbonylContact C-O 3.57Å; E302-S309 VanDerWaalsContact C-O 3.24Å; E302-S309 WeakPolarHBondContact CB-O 3.36Å; E302-S309 PolarHBondContact O-N 2.85Å; E302-S309 VanDerWaalsContact O-O 3.1Å; K307-S309 PolarHBondContact O-N 3.26Å; K307-S309 PolarHBondContact O-OG 3.4Å; S309-W326 WeakPolarHBondContact CA-O 3.26Å; S309-N328 PolarHBondContact OG-N 2.86Å
310G97.3Very high94Very high30 Ų3043.3 Ų43.331%0.30923%0.234SC..EExtended strand (participates in β ladder)trans103.8-141.7-173.100000110.8E302 E325 W326E302-G310 WeakPolarHBondContact OE1-CA 3.21Å; G310-E325 CarbonylContact O-C 3.41Å; G310-W326 PolarHBondContact N-O 3.44Å; G310-W326 PolarHBondContact O-N 3.02Å
311Y98.4Very high93.9Very high84 Ų8443.8 Ų43.833%0.32924%0.235SC..EExtended strand (participates in β ladder)trans-96.4144.7175.2-65.4-81.4000111.5G301 E302 E325 A377 A384G301-Y311 WeakPolarHBondContact CA-O 3.48Å; E302-Y311 PolarHBondContact N-O 2.84Å; E302-Y311 PolarHBondContact OE1-N 3.4Å; Y311-E325 HydrophobicContact CD1-CG 3.73Å; Y311-E325 HydrophobicContact CE1-CG 3.23Å; Y311-E325 VanDerWaalsContact CE1-OE1 3.28Å; Y311-E325 WeakPolarHBondContact CE1-OE1 3.42Å; Y311-E325 VanDerWaalsContact CZ-OE1 3.26Å; Y311-E325 PolarHBondContact OH-OE1 2.9Å; Y311-A377 HydrophobicContact CE1-CB 4.38Å; Y311-A384 VanDerWaalsContact O-CB 3.3Å; Y311-A384 WeakPolarHBondContact O-CB 3.28Å
312G97.7Very high93.7Very high0 Ų044.2 Ų44.20%024%0.237CC..EExtended strand (participates in β ladder)trans-179.7166.117500000115.1M300 G324 W326 A381M300-G312 CarbonylContact O-C 3.52Å; M300-G312 VanDerWaalsContact O-CA 3.29Å; M300-G312 WeakPolarHBondContact O-CA 3.42Å; G312-G324 PolarHBondContact N-O 3.17Å; G312-G324 VanDerWaalsContact N-O 3.1Å; G312-G324 PolarHBondContact O-N 2.78Å; G312-W326 PolarHBondContact O-NE1 3Å; G312-A381 WeakPolarHBondContact O-CB 3.45Å
313I98Very high93.7Very high15 Ų1542.8 Ų42.88%0.07723%0.23CC..EExtended strand (participates in β ladder)trans-109.5134.2177.9-58.8-175.8000108.7Y299 M300 K321 Y322 E323 A381 Q382 A385Y299-I313 CarbonylContact C-O 3.53Å; Y299-I313 WeakPolarHBondContact CA-O 3.02Å; Y299-I313 WeakPolarHBondContact CD2-O 3.31Å; M300-I313 PolarHBondContact N-O 2.73Å; M300-I313 PolarHBondContact O-N 2.86Å; I313-K321 HydrophobicContact CG2-CG 4.12Å; I313-Y322 CarbonylContact C-O 3.57Å; I313-Y322 VanDerWaalsContact CA-O 3.26Å; I313-Y322 WeakPolarHBondContact CA-O 3.46Å; I313-E323 HydrophobicContact CD1-CG 4.09Å; I313-E323 WeakPolarHBondContact CD1-OE1 3.15Å; I313-E323 HydrophobicContact CG1-CB 4.39Å; I313-E323 HydrophobicContact CG1-CG 3.98Å; I313-E323 HydrophobicContact CG2-CG 4.18Å; I313-A381 HydrophobicContact CG1-CB 3.98Å; I313-Q382 HydrophobicContact CD1-CG 3.99Å; I313-A385 HydrophobicContact CB-CB 4.37Å; I313-A385 HydrophobicContact CD1-CB 3.77Å; I313-A385 HydrophobicContact CG1-CB 3.96Å
314S95.8Very high93.7Very high13 Ų1342.5 Ų42.59%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-110131.2159.4171.80000107.8E297 V298 K321 Y322E297-S314 WeakPolarHBondContact CG-OG 3.41Å; E297-S314 PolarHBondContact OE1-OG 2.7Å; V298-S314 WeakPolarHBondContact O-CA 3.12Å; S314-K321 CarbonylContact O-C 3.54Å; S314-K321 WeakPolarHBondContact O-CA 3.38Å; S314-Y322 PolarHBondContact N-O 3.06Å; S314-Y322 PolarHBondContact O-N 2.63Å
315E94.8Very high93.8Very high108 Ų10838.7 Ų38.751%0.50521%0.213SC..EExtended strand (participates in β ladder)trans-131.5125.9-179.8-168.8166.6150.400108.7V298 K321V298-E315 PolarHBondContact N-O 3.17Å; V298-E315 PolarHBondContact O-N 3.01Å; E315-K321 HydrophobicContact CB-CG 4.28Å; E315-K321 HydrophobicContact CG-CG 4.2Å
316R91.1Very high94Very high36 Ų3635.4 Ų35.414%0.13620%0.195CC..EExtended strand (participates in β ladder)trans-108.7142.5-175.1-175.8-164.1-89.4-173-5.9109.4Y149 I291 T295 T296 S318 G319 L320Y149-R316 HydrophobicContact CE2-CG 4.47Å; I291-R316 VanDerWaalsContact CD1-NH2 3.34Å; T295-R316 VanDerWaalsContact CG2-CD 3.48Å; T295-R316 HydrophobicContact CG2-CG 3.28Å; T296-R316 CarbonylContact O-C 3.52Å; T296-R316 VanDerWaalsContact O-CA 3.25Å; T296-R316 WeakPolarHBondContact O-CA 3.34Å; T296-R316 WeakPolarHBondContact O-CG 3.47Å; R316-S318 WeakPolarHBondContact CD-OG 3.4Å; R316-S318 PolarHBondContact O-N 2.91Å; R316-S318 VanDerWaalsContact O-N 3.09Å; R316-G319 PolarHBondContact O-N 3.4Å; R316-L320 HydrophobicContact CB-CB 4.1Å; R316-L320 VanDerWaalsContact CB-O 3.31Å; R316-L320 WeakPolarHBondContact CB-O 3.42Å; R316-L320 PolarHBondContact N-O 3.05Å
317S90.6Very high94.3Very high73 Ų7338.6 Ų38.651%0.5121%0.212SC..THydrogen-bonded Turntrans-59.8-23.1179.162.50000114.1T295 T296 G319T295-S317 WeakPolarHBondContact CA-OG 3.26Å; T296-S317 PolarHBondContact N-OG 3.1Å; T296-S317 PolarHBondContact O-N 3.19Å; S317-G319 PolarHBondContact O-N 3.03Å; S317-G319 VanDerWaalsContact O-N 3.14Å
318S86.8Confident94.3Very high52 Ų5238 Ų3836%0.36421%0.213SC..THydrogen-bonded Turntrans-73.512.5170.790.60000114.3R316 L320 A340R316-S318 WeakPolarHBondContact CD-OG 3.4Å; R316-S318 PolarHBondContact O-N 2.91Å; R316-S318 VanDerWaalsContact O-N 3.09Å; S318-L320 VanDerWaalsContact C-N 3.3Å; S318-L320 PolarHBondContact O-N 2.82Å; S318-A340 WeakPolarHBondContact O-CB 3.29Å
319G86.4Confident94.1Very high38 Ų3838.8 Ų38.839%0.39222%0.217SC..SBendtrans78.1-0.7-179.800000116.2R316 S317 K321R316-G319 PolarHBondContact O-N 3.4Å; S317-G319 PolarHBondContact O-N 3.03Å; S317-G319 VanDerWaalsContact O-N 3.14Å; G319-K321 PolarHBondContact O-N 2.88Å
320L90.1Very high93.8Very high40 Ų4040.7 Ų40.721%0.20922%0.224CC..  trans-75.1124174.4-174.573.2000110.1R316 S318 T337 F339R316-L320 HydrophobicContact CB-CB 4.1Å; R316-L320 VanDerWaalsContact CB-O 3.31Å; R316-L320 WeakPolarHBondContact CB-O 3.42Å; R316-L320 PolarHBondContact N-O 3.05Å; S318-L320 VanDerWaalsContact C-N 3.3Å; S318-L320 PolarHBondContact O-N 2.82Å; L320-T337 HydrophobicContact CD1-CG2 3.69Å; L320-T337 HydrophobicContact CG-CG2 4.45Å; L320-F339 HydrophobicContact CD1-CD1 3.49Å; L320-F339 VanDerWaalsContact CD1-CD1 3.49Å; L320-F339 HydrophobicContact CD1-CE1 3.79Å; L320-F339 HydrophobicContact CD1-CG 4.17Å
321K94.7Very high93.6Very high50 Ų5040.6 Ų40.622%0.21722%0.215CC..EExtended strand (participates in β ladder)trans-131.3130.6-179.3-169.2-170.5-177.6-154.40111.5I313 S314 E315 G319 E323 T337 T338I313-K321 HydrophobicContact CG2-CG 4.12Å; S314-K321 CarbonylContact O-C 3.54Å; S314-K321 WeakPolarHBondContact O-CA 3.38Å; E315-K321 HydrophobicContact CB-CG 4.28Å; E315-K321 HydrophobicContact CG-CG 4.2Å; G319-K321 PolarHBondContact O-N 2.88Å; K321-E323 HydrophobicContact CD-CG 4.23Å; K321-E323 VanDerWaalsContact CE-CD 3.47Å; K321-E323 WeakPolarHBondContact CE-OE2 3.33Å; K321-E323 HydrophobicContact CG-CG 4.29Å; K321-E323 IonicContact NZ-OE1 3.46Å; K321-E323 PolarHBondContact NZ-OE1 2.87Å; K321-E323 IonicContact NZ-OE2 3.8Å; K321-E323 PolarHBondContact NZ-OE2 3.46Å; K321-T337 CarbonylContact O-C 3.36Å; K321-T337 WeakPolarHBondContact O-CA 3.4Å; K321-T338 PolarHBondContact N-O 2.86Å; K321-T338 PolarHBondContact O-N 2.81Å
322Y95.4Very high93.3Very high8 Ų839.3 Ų39.33%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-114.8130.9170.2175.9-97.3000111.2I313 S314 E325 W326 R331 H332 C336 T337 Y349I313-Y322 CarbonylContact C-O 3.57Å; I313-Y322 VanDerWaalsContact CA-O 3.26Å; I313-Y322 WeakPolarHBondContact CA-O 3.46Å; S314-Y322 PolarHBondContact N-O 3.06Å; S314-Y322 PolarHBondContact O-N 2.63Å; Y322-E325 PolarHBondContact OH-O 3.04Å; Y322-W326 AromaticContact CD1-CE2 3.61Å; Y322-W326 HydrophobicContact CD1-CH2 4.27Å; Y322-W326 AromaticContact CD1-CZ2 3.43Å; Y322-W326 HydrophobicContact CD1-CZ2 3.43Å; Y322-W326 VanDerWaalsContact CD1-CZ2 3.43Å; Y322-W326 AromaticContact CD1-NE1 3.66Å; Y322-W326 HydrophobicContact CE1-CD2 4.38Å; Y322-W326 AromaticContact CE1-CE2 3.69Å; Y322-W326 AromaticContact CE1-CZ2 3.97Å; Y322-W326 HydrophobicContact CE1-CZ2 3.97Å; Y322-W326 AromaticContact CE1-NE1 3.55Å; Y322-W326 HydrophobicContact CG-CZ2 4.41Å; Y322-R331 HydrophobicContact CD1-CG 3.95Å; Y322-R331 VanDerWaalsContact CD2-CD 3.5Å; Y322-R331 HydrophobicContact CD2-CG 4.18Å; Y322-R331 HydrophobicContact CE1-CB 4.12Å; Y322-R331 HydrophobicContact CE1-CG 3.84Å; Y322-R331 HydrophobicContact CE2-CB 4.16Å; Y322-R331 HydrophobicContact CE2-CG 4.08Å; Y322-R331 HydrophobicContact CG-CG 4.09Å; Y322-H332 PolarHBondContact OH-O 3.36Å; Y322-C336 WeakPolarHBondContact CA-O 3.21Å; Y322-T337 WeakPolarHBondContact CD2-OG1 3.31Å; Y322-Y349 AromaticContact CE2-CD2 3.8Å; Y322-Y349 HydrophobicContact CE2-CD2 3.8Å; Y322-Y349 AromaticContact CE2-CE2 3.73Å; Y322-Y349 HydrophobicContact CE2-CE2 3.73Å; Y322-Y349 HydrophobicContact CE2-CG 4.24Å
323E97Very high93.2Very high17 Ų1739.6 Ų39.68%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-125.1114.1176.4-56-175.480.800108.8I313 K321 G335 C336 V378 A381 Q382I313-E323 HydrophobicContact CD1-CG 4.09Å; I313-E323 WeakPolarHBondContact CD1-OE1 3.15Å; I313-E323 HydrophobicContact CG1-CB 4.39Å; I313-E323 HydrophobicContact CG1-CG 3.98Å; I313-E323 HydrophobicContact CG2-CG 4.18Å; K321-E323 HydrophobicContact CD-CG 4.23Å; K321-E323 VanDerWaalsContact CE-CD 3.47Å; K321-E323 WeakPolarHBondContact CE-OE2 3.33Å; K321-E323 HydrophobicContact CG-CG 4.29Å; K321-E323 IonicContact NZ-OE1 3.46Å; K321-E323 PolarHBondContact NZ-OE1 2.87Å; K321-E323 IonicContact NZ-OE2 3.8Å; K321-E323 PolarHBondContact NZ-OE2 3.46Å; E323-G335 CarbonylContact O-C 3.57Å; E323-G335 WeakPolarHBondContact O-CA 3.07Å; E323-C336 PolarHBondContact N-O 3.16Å; E323-C336 PolarHBondContact O-N 3.21Å; E323-V378 HydrophobicContact CB-CB 4.47Å; E323-V378 HydrophobicContact CB-CG1 4.1Å; E323-V378 HydrophobicContact CB-CG2 4.06Å; E323-A381 HydrophobicContact CB-CB 4.26Å; E323-Q382 VanDerWaalsContact OE1-CG 3.28Å; E323-Q382 WeakPolarHBondContact OE1-CG 3.44Å; E323-Q382 PolarHBondContact OE1-NE2 3.3Å
324G96Very high93Very high0 Ų041.4 Ų41.40%022%0.221CC..EExtended strand (participates in β ladder)trans170.5-154.4-179.800000116.1G312 Y334G312-G324 PolarHBondContact N-O 3.17Å; G312-G324 VanDerWaalsContact N-O 3.1Å; G312-G324 PolarHBondContact O-N 2.78Å; G324-Y334 WeakPolarHBondContact CA-O 3.45Å
325E97.3Very high93Very high45 Ų4540.8 Ų40.821%0.2122%0.216CC..EExtended strand (participates in β ladder)trans-87.3139.1-179.3-72172.1154.500111.8G310 Y311 Y322 H332 G333 Y334 A377G310-E325 CarbonylContact O-C 3.41Å; Y311-E325 HydrophobicContact CD1-CG 3.73Å; Y311-E325 HydrophobicContact CE1-CG 3.23Å; Y311-E325 VanDerWaalsContact CE1-OE1 3.28Å; Y311-E325 WeakPolarHBondContact CE1-OE1 3.42Å; Y311-E325 VanDerWaalsContact CZ-OE1 3.26Å; Y311-E325 PolarHBondContact OH-OE1 2.9Å; Y322-E325 PolarHBondContact OH-O 3.04Å; E325-H332 CarbonylContact O-C 3.6Å; E325-H332 PolarHBondContact O-N 3.1Å; E325-G333 WeakPolarHBondContact OE2-CA 3.37Å; E325-Y334 PolarHBondContact N-O 3.49Å; E325-Y334 PolarHBondContact OE2-N 3.2Å; E325-A377 HydrophobicContact CG-CB 4.34Å
326W96.1Very high93Very high9 Ų936.3 Ų36.33%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-126.1146.5-177.3-68.484.5000110.9Y299 R308 S309 G310 G312 Y322 N329 Q330 R331Y299-W326 HydrophobicContact CD2-CZ2 4.09Å; Y299-W326 AromaticContact CE2-CD1 3.99Å; Y299-W326 AromaticContact CE2-CD2 3.97Å; Y299-W326 HydrophobicContact CE2-CD2 3.97Å; Y299-W326 AromaticContact CE2-CE2 3.56Å; Y299-W326 HydrophobicContact CE2-CG 4.19Å; Y299-W326 AromaticContact CE2-CZ2 3.89Å; Y299-W326 HydrophobicContact CE2-CZ2 3.89Å; Y299-W326 AromaticContact CE2-NE1 3.61Å; R308-W326 HydrophobicContact CB-CD2 4.46Å; R308-W326 HydrophobicContact CB-CE3 4.22Å; S309-W326 WeakPolarHBondContact CA-O 3.26Å; G310-W326 PolarHBondContact N-O 3.44Å; G310-W326 PolarHBondContact O-N 3.02Å; G312-W326 PolarHBondContact O-NE1 3Å; Y322-W326 AromaticContact CD1-CE2 3.61Å; Y322-W326 HydrophobicContact CD1-CH2 4.27Å; Y322-W326 AromaticContact CD1-CZ2 3.43Å; Y322-W326 HydrophobicContact CD1-CZ2 3.43Å; Y322-W326 VanDerWaalsContact CD1-CZ2 3.43Å; Y322-W326 AromaticContact CD1-NE1 3.66Å; Y322-W326 HydrophobicContact CE1-CD2 4.38Å; Y322-W326 AromaticContact CE1-CE2 3.69Å; Y322-W326 AromaticContact CE1-CZ2 3.97Å; Y322-W326 HydrophobicContact CE1-CZ2 3.97Å; Y322-W326 AromaticContact CE1-NE1 3.55Å; Y322-W326 HydrophobicContact CG-CZ2 4.41Å; W326-N329 WeakPolarHBondContact CZ3-O 3.34Å; W326-Q330 WeakPolarHBondContact CA-O 3.35Å; W326-R331 HydrophobicContact CH2-CG 4.08Å; W326-R331 HydrophobicContact CZ3-CG 4.06Å
327L95.6Very high93Very high79 Ų7934.6 Ų34.641%0.41419%0.191SC..EExtended strand (participates in β ladder)trans-149.7120.4174.3-177.561.9000110.2N329 Q330 H332L327-N329 PolarHBondContact O-N 3.41Å; L327-Q330 PolarHBondContact N-O 3.13Å; L327-Q330 PolarHBondContact O-N 3Å; L327-Q330 VanDerWaalsContact O-N 3.1Å; L327-H332 HydrophobicContact CB-CB 3.85Å
328N91.3Very high93.1Very high82 Ų8232.3 Ų32.344%0.43917%0.173SC..THydrogen-bonded Turntrans5155.2177.6-65.1-60.8000113.2K307 R308 S309 Q330K307-N328 HydrophobicContact CD-CB 4.31Å; R308-N328 PolarHBondContact O-N 2.85Å; S309-N328 PolarHBondContact OG-N 2.86Å; N328-Q330 PolarHBondContact O-N 2.85Å; N328-Q330 VanDerWaalsContact O-N 3.17Å
329N90.5Very high93.2Very high19 Ų1932.3 Ų32.310%0.10217%0.167CC..THydrogen-bonded Turntrans68-5.2-176.4-71.2-2.3000116.9K307 R308 W326 L327K307-N329 WeakPolarHBondContact CA-OD1 3.37Å; K307-N329 WeakPolarHBondContact CB-OD1 3.26Å; R308-N329 PolarHBondContact N-OD1 3.42Å; R308-N329 PolarHBondContact NH2-O 3.05Å; R308-N329 PolarHBondContact O-N 2.97Å; W326-N329 WeakPolarHBondContact CZ3-O 3.34Å; L327-N329 PolarHBondContact O-N 3.41Å
330Q89.8Confident93.2Very high56 Ų5634.1 Ų34.126%0.26218%0.179SC..EExtended strand (participates in β ladder)trans-103.8147.9-176.6-65163.45500112.6W326 L327 N328 H332 N351 N352W326-Q330 WeakPolarHBondContact CA-O 3.35Å; L327-Q330 PolarHBondContact N-O 3.13Å; L327-Q330 PolarHBondContact O-N 3Å; L327-Q330 VanDerWaalsContact O-N 3.1Å; N328-Q330 PolarHBondContact O-N 2.85Å; N328-Q330 VanDerWaalsContact O-N 3.17Å; Q330-H332 PolarHBondContact O-N 3.11Å; Q330-N351 VanDerWaalsContact OE1-CA 3.31Å; Q330-N352 WeakPolarHBondContact CA-OD1 3.47Å; Q330-N352 WeakPolarHBondContact CB-OD1 3.35Å
331R92.6Very high92.9Very high28 Ų2841.3 Ų41.311%0.10621%0.211CC..EExtended strand (participates in β ladder)trans-63.1129166.6-56.5-179.2-79.7175.8-4.8109S262 Y322 W326 T337 Y349 N352S262-R331 PolarHBondContact OG-NH2 2.88Å; Y322-R331 HydrophobicContact CD1-CG 3.95Å; Y322-R331 VanDerWaalsContact CD2-CD 3.5Å; Y322-R331 HydrophobicContact CD2-CG 4.18Å; Y322-R331 HydrophobicContact CE1-CB 4.12Å; Y322-R331 HydrophobicContact CE1-CG 3.84Å; Y322-R331 HydrophobicContact CE2-CB 4.16Å; Y322-R331 HydrophobicContact CE2-CG 4.08Å; Y322-R331 HydrophobicContact CG-CG 4.09Å; W326-R331 HydrophobicContact CH2-CG 4.08Å; W326-R331 HydrophobicContact CZ3-CG 4.06Å; R331-T337 PolarHBondContact NH1-OG1 3.08Å; R331-T337 VanDerWaalsContact NH1-OG1 3.15Å; R331-Y349 HydrophobicContact CB-CD1 4.21Å; R331-Y349 HydrophobicContact CB-CG 4.32Å; R331-N352 PolarHBondContact N-OD1 3.48Å; R331-N352 PolarHBondContact NH2-O 3.49Å; R331-N352 PolarHBondContact O-N 2.76Å; R331-N352 VanDerWaalsContact O-N 3.12Å
332H92.4Very high92.2Very high57 Ų5741.3 Ų41.326%0.26423%0.225SC..EExtended strand (participates in β ladder)trans-140.3-179.3-173.3-163.577.8000110.5Y322 E325 L327 Q330 Y334 Y349Y322-H332 PolarHBondContact OH-O 3.36Å; E325-H332 CarbonylContact O-C 3.6Å; E325-H332 PolarHBondContact O-N 3.1Å; L327-H332 HydrophobicContact CB-CB 3.85Å; Q330-H332 PolarHBondContact O-N 3.11Å; H332-Y334 PolarHBondContact O-N 3.19Å; H332-Y349 CarbonylContact C-O 3.59Å; H332-Y349 VanDerWaalsContact C-O 3.28Å
333G94.1Very high91.8Very high6 Ų642.8 Ų42.86%0.06224%0.242CC..EExtended strand (participates in β ladder)trans59.8-129164.700000112.8E325 K348 Y349E325-G333 WeakPolarHBondContact OE2-CA 3.37Å; G333-K348 CarbonylContact O-C 3.58Å; G333-K348 WeakPolarHBondContact O-CA 3.25Å; G333-K348 WeakPolarHBondContact O-CG 3.47Å; G333-Y349 PolarHBondContact N-O 3.02Å; G333-Y349 PolarHBondContact O-N 3.01Å
334Y95.5Very high91.4Very high53 Ų5348.7 Ų48.721%0.20827%0.268CS..EExtended strand (participates in β ladder)trans-113.8149.7171.1-60.2-97.6000111G324 E325 H332 G347 K348 K373 V374 A377G324-Y334 WeakPolarHBondContact CA-O 3.45Å; E325-Y334 PolarHBondContact N-O 3.49Å; E325-Y334 PolarHBondContact OE2-N 3.2Å; H332-Y334 PolarHBondContact O-N 3.19Å; Y334-G347 WeakPolarHBondContact CA-O 3.34Å; Y334-K348 HydrophobicContact CD1-CB 4.21Å; Y334-K348 HydrophobicContact CD1-CG 4.47Å; Y334-K348 HydrophobicContact CE1-CB 4.05Å; Y334-K348 HydrophobicContact CE1-CG 4.23Å; Y334-K373 HydrophobicContact CD1-CB 3.67Å; Y334-K373 HydrophobicContact CD1-CD 4.24Å; Y334-K373 HydrophobicContact CD2-CB 4.22Å; Y334-K373 HydrophobicContact CD2-CD 4.4Å; Y334-K373 HydrophobicContact CE1-CB 3.88Å; Y334-K373 HydrophobicContact CE1-CD 3.59Å; Y334-K373 HydrophobicContact CE1-CG 4.42Å; Y334-K373 HydrophobicContact CE2-CB 4.42Å; Y334-K373 HydrophobicContact CE2-CD 3.81Å; Y334-K373 HydrophobicContact CG-CB 3.86Å; Y334-K373 WeakPolarHBondContact OH-CD 3.48Å; Y334-K373 PolarHBondContact OH-NZ 3.41Å; Y334-K373 VanDerWaalsContact OH-NZ 3.13Å; Y334-V374 HydrophobicContact CD1-CG2 4.37Å; Y334-A377 VanDerWaalsContact O-CB 3.26Å; Y334-A377 WeakPolarHBondContact O-CB 3.48Å
335G94.8Very high91Very high0 Ų051.3 Ų51.30%028%0.28CS..EExtended strand (participates in β ladder)trans-177.6178.2177.500000113.2E323 G347 V374E323-G335 CarbonylContact O-C 3.57Å; E323-G335 WeakPolarHBondContact O-CA 3.07Å; G335-G347 PolarHBondContact N-O 2.85Å; G335-G347 VanDerWaalsContact N-O 3.13Å; G335-G347 PolarHBondContact O-N 3.35Å; G335-G347 VanDerWaalsContact O-N 3.17Å; G335-V374 WeakPolarHBondContact O-CG1 3.27Å
336C94.1Very high90.7Very high14 Ų1454 Ų5410%0.09529%0.293CS..EExtended strand (participates in β ladder)trans-129131.3176.1-175.80000110.3Y322 E323 E345 V374 V378Y322-C336 WeakPolarHBondContact CA-O 3.21Å; E323-C336 PolarHBondContact N-O 3.16Å; E323-C336 PolarHBondContact O-N 3.21Å; C336-E345 CarbonylContact C-O 3.57Å; C336-E345 VanDerWaalsContact CA-O 3.27Å; C336-E345 WeakPolarHBondContact CA-O 3.4Å; C336-V374 HydrophobicContact CB-CG1 3.98Å; C336-V378 HydrophobicContact CB-CG2 3.95Å
337T92.3Very high90.4Very high1 Ų153.8 Ų53.81%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-100.1127.9164.4-48.40000108.4L320 K321 Y322 R331 F339 K344 E345 Y349L320-T337 HydrophobicContact CD1-CG2 3.69Å; L320-T337 HydrophobicContact CG-CG2 4.45Å; K321-T337 CarbonylContact O-C 3.36Å; K321-T337 WeakPolarHBondContact O-CA 3.4Å; Y322-T337 WeakPolarHBondContact CD2-OG1 3.31Å; R331-T337 PolarHBondContact NH1-OG1 3.08Å; R331-T337 VanDerWaalsContact NH1-OG1 3.15Å; T337-F339 HydrophobicContact CG2-CE1 4.38Å; T337-F339 HydrophobicContact CG2-CE2 4.24Å; T337-F339 HydrophobicContact CG2-CZ 4.07Å; T337-K344 CarbonylContact O-C 3.53Å; T337-K344 VanDerWaalsContact O-CA 3.31Å; T337-K344 WeakPolarHBondContact O-CA 3.29Å; T337-E345 PolarHBondContact N-O 3.15Å; T337-E345 PolarHBondContact O-N 2.9Å; T337-Y349 PolarHBondContact OG1-OH 3.08Å
338T91.9Very high90.3Very high24 Ų2453.8 Ų53.815%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-107132.8168.1-58.80000108.6K321 G343 K344K321-T338 PolarHBondContact N-O 2.86Å; K321-T338 PolarHBondContact O-N 2.81Å; T338-G343 WeakPolarHBondContact CA-O 3.36Å; T338-K344 HydrophobicContact CG2-CD 4.44Å; T338-K344 HydrophobicContact CG2-CG 4.13Å; T338-K344 VanDerWaalsContact OG1-CE 3.29Å; T338-K344 WeakPolarHBondContact OG1-CE 3.32Å
339F90Very high90.2Very high52 Ų5249.9 Ų49.923%0.22827%0.27CS..  trans-97.8162.7177.8-59.4-92.4000110.7V287 L320 T337 E341 G342 G343 E345V287-F339 HydrophobicContact CG1-CD1 3.99Å; V287-F339 HydrophobicContact CG1-CE1 3.86Å; L320-F339 HydrophobicContact CD1-CD1 3.49Å; L320-F339 VanDerWaalsContact CD1-CD1 3.49Å; L320-F339 HydrophobicContact CD1-CE1 3.79Å; L320-F339 HydrophobicContact CD1-CG 4.17Å; T337-F339 HydrophobicContact CG2-CE1 4.38Å; T337-F339 HydrophobicContact CG2-CE2 4.24Å; T337-F339 HydrophobicContact CG2-CZ 4.07Å; F339-E341 PolarHBondContact O-N 3.21Å; F339-G342 PolarHBondContact O-N 3.34Å; F339-G343 WeakPolarHBondContact CD2-O 3.32Å; F339-G343 PolarHBondContact N-O 2.9Å; F339-E345 HydrophobicContact CE2-CB 4.21Å; F339-E345 HydrophobicContact CE2-CG 4.01Å; F339-E345 HydrophobicContact CZ-CG 4.42Å
340A85Confident90.2Very high77 Ų7752.8 Ų52.864%0.63628%0.284SS*.THydrogen-bonded Turntrans-55.6-38.4-179.700000113.1S318 G342S318-A340 WeakPolarHBondContact O-CB 3.29Å; A340-G342 PolarHBondContact O-N 3.22Å
341E84.6Confident90.1Very high191 Ų19155 Ų5589%0.89330%0.297SS*.THydrogen-bonded Turntrans-70.57.5176.7-56.3178.4167.800113.8F339 G343F339-E341 PolarHBondContact O-N 3.21Å; E341-G343 PolarHBondContact O-N 3.23Å
342G80.9Confident89.8Confident50 Ų5054.8 Ų54.852%0.51530%0.298SS..SBendtrans77.4-8.1-178.300000115F339 A340F339-G342 PolarHBondContact O-N 3.34Å; A340-G342 PolarHBondContact O-N 3.22Å
343G86.5Confident89.4Confident38 Ų3858.5 Ų58.539%0.39232%0.317SS..  trans-56.9148.9172.200000112.3T338 F339 E341T338-G343 WeakPolarHBondContact CA-O 3.36Å; F339-G343 WeakPolarHBondContact CD2-O 3.32Å; F339-G343 PolarHBondContact N-O 2.9Å; E341-G343 PolarHBondContact O-N 3.23Å
344K87.8Confident89Confident141 Ų14159.9 Ų59.961%0.61332%0.323SS*.EExtended strand (participates in β ladder)trans-136.4128.9-178.6-60.8-165.3178.9-163.70113T337 T338T337-K344 CarbonylContact O-C 3.53Å; T337-K344 VanDerWaalsContact O-CA 3.31Å; T337-K344 WeakPolarHBondContact O-CA 3.29Å; T338-K344 HydrophobicContact CG2-CD 4.44Å; T338-K344 HydrophobicContact CG2-CG 4.13Å; T338-K344 VanDerWaalsContact OG1-CE 3.29Å; T338-K344 WeakPolarHBondContact OG1-CE 3.32Å
345E87.8Confident88.5Confident56 Ų5660.5 Ų60.526%0.26233%0.332SS..EExtended strand (participates in β ladder)trans-100.8116.2166.3-86.5-163.515500109.4C336 T337 F339 L354 K356C336-E345 CarbonylContact C-O 3.57Å; C336-E345 VanDerWaalsContact CA-O 3.27Å; C336-E345 WeakPolarHBondContact CA-O 3.4Å; T337-E345 PolarHBondContact N-O 3.15Å; T337-E345 PolarHBondContact O-N 2.9Å; F339-E345 HydrophobicContact CE2-CB 4.21Å; F339-E345 HydrophobicContact CE2-CG 4.01Å; F339-E345 HydrophobicContact CZ-CG 4.42Å; E345-L354 HydrophobicContact CB-CD2 4Å; E345-L354 HydrophobicContact CG-CD2 3.94Å; E345-K356 IonicContact OE1-NZ 3.15Å
346E90.7Very high87.4Confident100 Ų10068 Ų6847%0.46737%0.365SS..EExtended strand (participates in β ladder)trans-116.1137.6173.355.1167-145.400111.7V374E346-V374 HydrophobicContact CB-CG1 3.96Å; E346-V374 HydrophobicContact CB-CG2 4.31Å
347G89.9Confident85.6Confident6 Ų671.7 Ų71.76%0.06240%0.396CS..EExtended strand (participates in β ladder)trans162.1-150.4171.500000114.9Y334 G335Y334-G347 WeakPolarHBondContact CA-O 3.34Å; G335-G347 PolarHBondContact N-O 2.85Å; G335-G347 VanDerWaalsContact N-O 3.13Å; G335-G347 PolarHBondContact O-N 3.35Å; G335-G347 VanDerWaalsContact O-N 3.17Å
348K92.8Very high83.5Confident78 Ų7880.1 Ų80.134%0.33944%0.437SS..EExtended strand (participates in β ladder)trans-93.8123.9176.2-164.4-162177.6-165.10109.8G333 Y334 M350 V355G333-K348 CarbonylContact O-C 3.58Å; G333-K348 WeakPolarHBondContact O-CA 3.25Å; G333-K348 WeakPolarHBondContact O-CG 3.47Å; Y334-K348 HydrophobicContact CD1-CB 4.21Å; Y334-K348 HydrophobicContact CD1-CG 4.47Å; Y334-K348 HydrophobicContact CE1-CB 4.05Å; Y334-K348 HydrophobicContact CE1-CG 4.23Å; K348-M350 HydrophobicContact CD-CG 4.31Å; K348-M350 HydrophobicContact CD-SD 4.41Å; K348-M350 PolarHBondContact NZ-SD 3.44Å; K348-V355 WeakPolarHBondContact O-CB 3.23Å; K348-V355 WeakPolarHBondContact O-CG2 3.33Å; K348-V355 PolarHBondContact O-N 2.92Å
349Y89.3Confident81.3Confident1 Ų188.9 Ų88.90%0.00447%0.474CS..EExtended strand (participates in β ladder)trans-96.4143171.6-73.4-93.3000110.8Y322 R331 H332 G333 T337 M353 L354Y322-Y349 AromaticContact CE2-CD2 3.8Å; Y322-Y349 HydrophobicContact CE2-CD2 3.8Å; Y322-Y349 AromaticContact CE2-CE2 3.73Å; Y322-Y349 HydrophobicContact CE2-CE2 3.73Å; Y322-Y349 HydrophobicContact CE2-CG 4.24Å; R331-Y349 HydrophobicContact CB-CD1 4.21Å; R331-Y349 HydrophobicContact CB-CG 4.32Å; H332-Y349 CarbonylContact C-O 3.59Å; H332-Y349 VanDerWaalsContact C-O 3.28Å; G333-Y349 PolarHBondContact N-O 3.02Å; G333-Y349 PolarHBondContact O-N 3.01Å; T337-Y349 PolarHBondContact OG1-OH 3.08Å; Y349-M353 CarbonylContact C-O 3.56Å; Y349-M353 WeakPolarHBondContact CA-O 3.21Å; Y349-L354 HydrophobicContact CD1-CB 4.25Å; Y349-L354 HydrophobicContact CD2-CD1 4.2Å; Y349-L354 HydrophobicContact CE1-CB 3.76Å; Y349-L354 HydrophobicContact CE1-CD1 4.27Å; Y349-L354 HydrophobicContact CE2-CD1 3.78Å
350M90.5Very high79.1Confident80 Ų8095.5 Ų95.539%0.39450%0.502SS..EExtended strand (participates in β ladder)trans-142.6119.7168-65-163.9-58.600108.5K348 M353 V355K348-M350 HydrophobicContact CD-CG 4.31Å; K348-M350 HydrophobicContact CD-SD 4.41Å; K348-M350 PolarHBondContact NZ-SD 3.44Å; M350-M353 PolarHBondContact N-O 2.8Å; M350-M353 PolarHBondContact O-N 2.76Å; M350-V355 HydrophobicContact CB-CG2 4.04Å; M350-V355 HydrophobicContact CE-CG1 4.46Å; M350-V355 HydrophobicContact CE-CG2 3.67Å; M350-V355 HydrophobicContact CG-CG2 3.84Å; M350-V355 HydrophobicContact SD-CG2 4.46Å
351N87.7Confident77.2Confident103 Ų103103.1 Ų103.155%0.55152%0.515SS*.THydrogen-bonded Turntrans52.561.1-179.7-54.25.4000111.8Q330 M353Q330-N351 VanDerWaalsContact OE1-CA 3.31Å; N351-M353 PolarHBondContact O-N 2.68Å
352N87.4Confident75Confident23 Ų2399.9 Ų99.912%0.12351%0.507CS..THydrogen-bonded Turntrans64-22.7-173.8-65-18.1000116.6S262 N264 Q330 R331S262-N352 PolarHBondContact O-ND2 3.3Å; N264-N352 PolarHBondContact OD1-ND2 3.33Å; Q330-N352 WeakPolarHBondContact CA-OD1 3.47Å; Q330-N352 WeakPolarHBondContact CB-OD1 3.35Å; R331-N352 PolarHBondContact N-OD1 3.48Å; R331-N352 PolarHBondContact NH2-O 3.49Å; R331-N352 PolarHBondContact O-N 2.76Å; R331-N352 VanDerWaalsContact O-N 3.12Å
353M82.9Confident73.2Confident134 Ų134103.1 Ų103.166%0.6651%0.512SS*.EExtended strand (participates in β ladder)trans-83.4136.4-178.5-65.1-173-7500113.4Y349 M350 N351Y349-M353 CarbonylContact C-O 3.56Å; Y349-M353 WeakPolarHBondContact CA-O 3.21Å; M350-M353 PolarHBondContact N-O 2.8Å; M350-M353 PolarHBondContact O-N 2.76Å; N351-M353 PolarHBondContact O-N 2.68Å
354L85.9Confident71.2Confident35 Ų35110.8 Ų110.818%0.18354%0.538CS..EExtended strand (participates in β ladder)trans-73.3124.2166.6-179.268.2000110.1E345 Y349 K356E345-L354 HydrophobicContact CB-CD2 4Å; E345-L354 HydrophobicContact CG-CD2 3.94Å; Y349-L354 HydrophobicContact CD1-CB 4.25Å; Y349-L354 HydrophobicContact CD2-CD1 4.2Å; Y349-L354 HydrophobicContact CE1-CB 3.76Å; Y349-L354 HydrophobicContact CE1-CD1 4.27Å; Y349-L354 HydrophobicContact CE2-CD1 3.78Å; L354-K356 VanDerWaalsContact C-N 3.31Å; L354-K356 PolarHBondContact O-N 3.27Å
355V86.4Confident69.4Low67 Ų67110.6 Ų110.641%0.40654%0.542SS..  trans-77.779.5-178-174.20000110.2K348 M350 A357K348-V355 WeakPolarHBondContact O-CB 3.23Å; K348-V355 WeakPolarHBondContact O-CG2 3.33Å; K348-V355 PolarHBondContact O-N 2.92Å; M350-V355 HydrophobicContact CB-CG2 4.04Å; M350-V355 HydrophobicContact CE-CG1 4.46Å; M350-V355 HydrophobicContact CE-CG2 3.67Å; M350-V355 HydrophobicContact CG-CG2 3.84Å; M350-V355 HydrophobicContact SD-CG2 4.46Å; V355-A357 PolarHBondContact O-N 3.47Å; V355-A357 VanDerWaalsContact O-N 3.12Å
356K71.3Confident67.7Low158 Ų158115.2 Ų115.269%0.68756%0.562SS**  trans-57.5114.3175.7-70.2179.2179.6174.40109.6E345 L354 M358E345-K356 IonicContact OE1-NZ 3.15Å; L354-K356 VanDerWaalsContact C-N 3.31Å; L354-K356 PolarHBondContact O-N 3.27Å; K356-M358 PolarHBondContact O-N 2.96Å; K356-M358 VanDerWaalsContact O-N 3.14Å
357A55.9Low66.4Low91 Ų91113 Ų11375%0.75257%0.565SS**  trans-67.8112.6-173.300000111.2V355 K359V355-A357 PolarHBondContact O-N 3.47Å; V355-A357 VanDerWaalsContact O-N 3.12Å; A357-K359 PolarHBondContact O-N 3.1Å
358M48.8Very low65.7Low177 Ų177117.5 Ų117.587%0.87259%0.592SS**  trans-54.1123180-75.7-168.4170.400111.5K356 K360K356-M358 PolarHBondContact O-N 2.96Å; K356-M358 VanDerWaalsContact O-N 3.14Å; M358-K360 PolarHBondContact O-N 3.48Å
359K44.4Very low65.3Low209 Ų209121 Ų12191%0.90961%0.607SS**  trans-75.748.7-164.7-159.5175.3-177.8177.30113.8A357A357-K359 PolarHBondContact O-N 3.1Å
360K44.2Very low65.1Low191 Ų191124.6 Ų124.683%0.8363%0.625SS**  trans-68.8133.3168.8-70.1-170.7176-177.50109.2M358M358-K360 PolarHBondContact O-N 3.48Å
361R44.8Very low64.9Low237 Ų237126 Ų12689%0.89463%0.629SS**  trans-66.7170.1-165.4-48.3-177.1-158.2-167.46.4112.4
362V39.8Very low65.1Low122 Ų122126.2 Ų126.274%0.73963%0.627SS**SBendtrans87.3124.3167.6-174.30000116.6
363I42.1Very low65.4Low119 Ų119129.8 Ų129.861%0.6164%0.642SS**  trans64.1115.2173.7-59.9158.2000117.5L365I363-L365 VanDerWaalsContact C-N 3.27Å; I363-L365 HydrophobicContact CG2-CB 3.9Å; I363-L365 HydrophobicContact CG2-CD1 3.58Å; I363-L365 HydrophobicContact CG2-CG 3.53Å; I363-L365 PolarHBondContact O-N 3.45Å
364Q45.8Very low65.9Low199 Ų199123.6 Ų123.693%0.9361%0.611SS**  trans-79.234.2-178.3-64.3179.2-15.100115.2K366Q364-K366 VanDerWaalsContact C-N 3.32Å; Q364-K366 PolarHBondContact O-N 3.31Å
365L48.2Very low66.3Low137 Ų137126.8 Ų126.872%0.71763%0.625SS**  trans-86.618.2-176.3-77174.4000115.3I363I363-L365 VanDerWaalsContact C-N 3.27Å; I363-L365 HydrophobicContact CG2-CB 3.9Å; I363-L365 HydrophobicContact CG2-CD1 3.58Å; I363-L365 HydrophobicContact CG2-CG 3.53Å; I363-L365 PolarHBondContact O-N 3.45Å
366K53.1Low66.8Low153 Ų153131.5 Ų131.567%0.66564%0.636SS**  trans-113.3-12.3-163.6-71177.5179.4168.70117.1Q364 I370Q364-K366 VanDerWaalsContact C-N 3.32Å; Q364-K366 PolarHBondContact O-N 3.31Å; K366-I370 WeakPolarHBondContact O-CD1 3.32Å; K366-I370 WeakPolarHBondContact O-CG1 3.26Å
367G62.4Low68Low53 Ų53124 Ų12455%0.54660%0.604SS.*SBendtrans-70.1-60.1179.900000113.6K369 I370 K371G367-K369 PolarHBondContact O-N 3.5Å; G367-I370 PolarHBondContact O-N 2.85Å; G367-I370 VanDerWaalsContact O-N 3.09Å; G367-K371 PolarHBondContact O-N 3.48Å
368T76.1Confident69.9Low100 Ų100120.8 Ų120.861%0.61357%0.574SS**Hα-helixtrans-57.4-45.4-169.752.90000114.1I370 K371 Q372T368-I370 VanDerWaalsContact C-N 3.27Å; T368-I370 PolarHBondContact O-N 3.14Å; T368-K371 PolarHBondContact O-N 2.9Å; T368-Q372 WeakPolarHBondContact O-CB 3.4Å; T368-Q372 VanDerWaalsContact O-CG 3.31Å; T368-Q372 WeakPolarHBondContact O-CG 3.37Å; T368-Q372 PolarHBondContact O-N 3.15Å
369K84.6Confident72.2Confident151 Ų151117.1 Ų117.166%0.65756%0.555SS**Hα-helixtrans-70.6-17.1-179.6-69.1-173.9178.7-178.90114.5G367 K373G367-K369 PolarHBondContact O-N 3.5Å; K369-K373 WeakPolarHBondContact O-CG 3.43Å
370I84.9Confident74.8Confident77 Ų77107.3 Ų107.340%0.39551%0.513SS..Hα-helixtrans-87.2-47.8172.2-64.2177.2000108.7K366 G367 T368 Q372 K373 V374K366-I370 WeakPolarHBondContact O-CD1 3.32Å; K366-I370 WeakPolarHBondContact O-CG1 3.26Å; G367-I370 PolarHBondContact O-N 2.85Å; G367-I370 VanDerWaalsContact O-N 3.09Å; T368-I370 VanDerWaalsContact C-N 3.27Å; T368-I370 PolarHBondContact O-N 3.14Å; I370-Q372 VanDerWaalsContact C-N 3.34Å; I370-Q372 PolarHBondContact O-N 3.1Å; I370-K373 WeakPolarHBondContact O-CB 3.42Å; I370-K373 PolarHBondContact O-N 2.89Å; I370-V374 PolarHBondContact O-N 3.39Å
371K86.8Confident77.3Confident109 Ų10998.2 Ų98.247%0.47447%0.474SS..Hα-helixtrans-53-48.7175.8-173.6170.1-176.8174.10112.3G367 T368 K373 V374 E375G367-K371 PolarHBondContact O-N 3.48Å; T368-K371 PolarHBondContact O-N 2.9Å; K371-K373 PolarHBondContact O-N 2.84Å; K371-K373 VanDerWaalsContact O-N 3.08Å; K371-V374 PolarHBondContact O-N 2.91Å; K371-E375 VanDerWaalsContact O-CB 3.24Å; K371-E375 WeakPolarHBondContact O-CB 3.34Å; K371-E375 PolarHBondContact O-N 3.28Å
372Q91.5Very high79.8Confident109 Ų10991.5 Ų91.551%0.50945%0.452SS..Hα-helixtrans-58.5-22176-75.8175.6-21.400114.9T368 I370 R376T368-Q372 WeakPolarHBondContact O-CB 3.4Å; T368-Q372 VanDerWaalsContact O-CG 3.31Å; T368-Q372 WeakPolarHBondContact O-CG 3.37Å; T368-Q372 PolarHBondContact O-N 3.15Å; I370-Q372 VanDerWaalsContact C-N 3.34Å; I370-Q372 PolarHBondContact O-N 3.1Å; Q372-R376 PolarHBondContact O-N 3.02Å
373K93.8Very high82.6Confident98 Ų9893.1 Ų93.143%0.42645%0.445SS..Hα-helixtrans-87.7-37.5174.6-68.1-176.4-174.9-171.40112Y334 K369 I370 K371 A377Y334-K373 HydrophobicContact CD1-CB 3.67Å; Y334-K373 HydrophobicContact CD1-CD 4.24Å; Y334-K373 HydrophobicContact CD2-CB 4.22Å; Y334-K373 HydrophobicContact CD2-CD 4.4Å; Y334-K373 HydrophobicContact CE1-CB 3.88Å; Y334-K373 HydrophobicContact CE1-CD 3.59Å; Y334-K373 HydrophobicContact CE1-CG 4.42Å; Y334-K373 HydrophobicContact CE2-CB 4.42Å; Y334-K373 HydrophobicContact CE2-CD 3.81Å; Y334-K373 HydrophobicContact CG-CB 3.86Å; Y334-K373 WeakPolarHBondContact OH-CD 3.48Å; Y334-K373 PolarHBondContact OH-NZ 3.41Å; Y334-K373 VanDerWaalsContact OH-NZ 3.13Å; K369-K373 WeakPolarHBondContact O-CG 3.43Å; I370-K373 WeakPolarHBondContact O-CB 3.42Å; I370-K373 PolarHBondContact O-N 2.89Å; K371-K373 PolarHBondContact O-N 2.84Å; K371-K373 VanDerWaalsContact O-N 3.08Å; K373-A377 WeakPolarHBondContact O-CB 3.4Å; K373-A377 PolarHBondContact O-N 2.86Å
374V93.3Very high85.3Confident3 Ų387.6 Ų87.62%0.01842%0.418CS..Hα-helixtrans-63.1-49.7172176.60000109.9Y334 G335 C336 E346 I370 K371 R376 A377 V378Y334-V374 HydrophobicContact CD1-CG2 4.37Å; G335-V374 WeakPolarHBondContact O-CG1 3.27Å; C336-V374 HydrophobicContact CB-CG1 3.98Å; E346-V374 HydrophobicContact CB-CG1 3.96Å; E346-V374 HydrophobicContact CB-CG2 4.31Å; I370-V374 PolarHBondContact O-N 3.39Å; K371-V374 PolarHBondContact O-N 2.91Å; V374-R376 PolarHBondContact O-N 2.84Å; V374-A377 CarbonylContact O-C 3.55Å; V374-A377 WeakPolarHBondContact O-CA 3.28Å; V374-A377 PolarHBondContact O-N 3.1Å; V374-V378 HydrophobicContact CG1-CG2 4.09Å; V374-V378 WeakPolarHBondContact O-CG2 3.5Å; V374-V378 PolarHBondContact O-N 2.7Å
375E94.4Very high87.8Confident102 Ų10278.5 Ų78.548%0.47738%0.376SS..Hα-helixtrans-49-53.5174.9-172.6166.8-130.700111.1K371 A377 V378 E379K371-E375 VanDerWaalsContact O-CB 3.24Å; K371-E375 WeakPolarHBondContact O-CB 3.34Å; K371-E375 PolarHBondContact O-N 3.28Å; E375-A377 PolarHBondContact O-N 3.23Å; E375-V378 PolarHBondContact O-N 2.91Å; E375-E379 WeakPolarHBondContact O-CG 3.03Å; E375-E379 PolarHBondContact O-N 3.21Å
376R96.3Very high90.1Very high166 Ų16674.8 Ų74.863%0.62637%0.366SS*.Hα-helixtrans-63-34.1175-175.8174.9-63.4139.17.7114.5Q372 V374 G380Q372-R376 PolarHBondContact O-N 3.02Å; V374-R376 PolarHBondContact O-N 2.84Å; R376-G380 PolarHBondContact O-N 2.82Å
377A96Very high92.3Very high2 Ų270.4 Ų70.42%0.01735%0.349CS..Hα-helixtrans-74.4-33.8177.900000112Y311 E325 Y334 K373 V374 E375 G380 A381Y311-A377 HydrophobicContact CE1-CB 4.38Å; E325-A377 HydrophobicContact CG-CB 4.34Å; Y334-A377 VanDerWaalsContact O-CB 3.26Å; Y334-A377 WeakPolarHBondContact O-CB 3.48Å; K373-A377 WeakPolarHBondContact O-CB 3.4Å; K373-A377 PolarHBondContact O-N 2.86Å; V374-A377 CarbonylContact O-C 3.55Å; V374-A377 WeakPolarHBondContact O-CA 3.28Å; V374-A377 PolarHBondContact O-N 3.1Å; E375-A377 PolarHBondContact O-N 3.23Å; A377-G380 CarbonylContact O-C 3.57Å; A377-G380 WeakPolarHBondContact O-CA 3.06Å; A377-G380 PolarHBondContact O-N 2.58Å; A377-A381 WeakPolarHBondContact O-CB 3.49Å; A377-A381 PolarHBondContact O-N 3.05Å
378V96.5Very high94Very high22 Ų2267.9 Ų67.913%0.13332%0.323CS..Hα-helixtrans-68.4-45.1171173.60000110.2E323 C336 V374 E375 G380 A381 Q382E323-V378 HydrophobicContact CB-CB 4.47Å; E323-V378 HydrophobicContact CB-CG1 4.1Å; E323-V378 HydrophobicContact CB-CG2 4.06Å; C336-V378 HydrophobicContact CB-CG2 3.95Å; V374-V378 HydrophobicContact CG1-CG2 4.09Å; V374-V378 WeakPolarHBondContact O-CG2 3.5Å; V374-V378 PolarHBondContact O-N 2.7Å; E375-V378 PolarHBondContact O-N 2.91Å; V378-G380 PolarHBondContact O-N 2.69Å; V378-A381 PolarHBondContact O-N 2.9Å; V378-A381 VanDerWaalsContact O-N 3.16Å; V378-Q382 HydrophobicContact CG1-CG 4.4Å; V378-Q382 WeakPolarHBondContact O-CB 3.4Å; V378-Q382 WeakPolarHBondContact O-CG 3.28Å; V378-Q382 PolarHBondContact O-N 2.64Å
379E97.6Very high95Very high100 Ų10069 Ų6947%0.46732%0.319SS..Hα-helixtrans-57.4-33.4168.8-71.3172.9166.900112.3E375 R383E375-E379 WeakPolarHBondContact O-CG 3.03Å; E375-E379 PolarHBondContact O-N 3.21Å; E379-R383 WeakPolarHBondContact O-CB 3.36Å; E379-R383 VanDerWaalsContact O-CG 3.3Å; E379-R383 WeakPolarHBondContact O-CG 3.49Å; E379-R383 PolarHBondContact O-N 2.78Å; E379-R383 PolarHBondContact O-NE 2.88Å
380G98.1Very high95.6Very high3 Ų366.8 Ų66.83%0.03131%0.311CS..Hα-helixtrans-65.5-53.7171.700000111.8R376 A377 V378 Q382 R383 A384R376-G380 PolarHBondContact O-N 2.82Å; A377-G380 CarbonylContact O-C 3.57Å; A377-G380 WeakPolarHBondContact O-CA 3.06Å; A377-G380 PolarHBondContact O-N 2.58Å; V378-G380 PolarHBondContact O-N 2.69Å; G380-Q382 PolarHBondContact O-N 3.21Å; G380-R383 PolarHBondContact O-N 3.37Å; G380-A384 WeakPolarHBondContact O-CB 3.36Å; G380-A384 PolarHBondContact O-N 3.43Å
381A97.4Very high96.2Very high0 Ų065.3 Ų65.30%030%0.302CS..Hα-helixtrans-60-41.9179.400000112.8G312 I313 E323 A377 V378 A384 A385G312-A381 WeakPolarHBondContact O-CB 3.45Å; I313-A381 HydrophobicContact CG1-CB 3.98Å; E323-A381 HydrophobicContact CB-CB 4.26Å; A377-A381 WeakPolarHBondContact O-CB 3.49Å; A377-A381 PolarHBondContact O-N 3.05Å; V378-A381 PolarHBondContact O-N 2.9Å; V378-A381 VanDerWaalsContact O-N 3.16Å; A381-A384 PolarHBondContact O-N 3.2Å; A381-A385 VanDerWaalsContact O-CB 3.28Å; A381-A385 WeakPolarHBondContact O-CB 3.09Å; A381-A385 PolarHBondContact O-N 3.22Å
382Q97.9Very high96.8Very high96 Ų9660.4 Ų60.445%0.44928%0.282SS..Hα-helixtrans-67-40.1177.9-71.31740.300112.2I313 E323 V378 G380 A386I313-Q382 HydrophobicContact CD1-CG 3.99Å; E323-Q382 VanDerWaalsContact OE1-CG 3.28Å; E323-Q382 WeakPolarHBondContact OE1-CG 3.44Å; E323-Q382 PolarHBondContact OE1-NE2 3.3Å; V378-Q382 HydrophobicContact CG1-CG 4.4Å; V378-Q382 WeakPolarHBondContact O-CB 3.4Å; V378-Q382 WeakPolarHBondContact O-CG 3.28Å; V378-Q382 PolarHBondContact O-N 2.64Å; G380-Q382 PolarHBondContact O-N 3.21Å; Q382-A386 WeakPolarHBondContact O-CB 3.45Å; Q382-A386 PolarHBondContact O-N 2.84Å
383R98.3Very high97Very high156 Ų15661.8 Ų61.859%0.58929%0.288SS*.Hα-helixtrans-66.8-42172.4-73.6178.3-64.7140.81.3111.9E379 G380 A386 I387E379-R383 WeakPolarHBondContact O-CB 3.36Å; E379-R383 VanDerWaalsContact O-CG 3.3Å; E379-R383 WeakPolarHBondContact O-CG 3.49Å; E379-R383 PolarHBondContact O-N 2.78Å; E379-R383 PolarHBondContact O-NE 2.88Å; G380-R383 PolarHBondContact O-N 3.37Å; R383-A386 PolarHBondContact O-N 2.83Å; R383-I387 VanDerWaalsContact O-CG1 3.3Å; R383-I387 WeakPolarHBondContact O-CG1 3.45Å; R383-I387 PolarHBondContact O-N 2.89Å
384A97.9Very high97.2Very high4 Ų459.8 Ų59.83%0.03328%0.281CS..Hα-helixtrans-64.8-38.7176.700000112.4Y141 E302 Y311 G380 A381 I387 A388Y141-A384 HydrophobicContact CE1-CB 4.03Å; E302-A384 HydrophobicContact CG-CB 4.49Å; Y311-A384 VanDerWaalsContact O-CB 3.3Å; Y311-A384 WeakPolarHBondContact O-CB 3.28Å; G380-A384 WeakPolarHBondContact O-CB 3.36Å; G380-A384 PolarHBondContact O-N 3.43Å; A381-A384 PolarHBondContact O-N 3.2Å; A384-I387 PolarHBondContact O-N 2.85Å; A384-A388 VanDerWaalsContact O-CB 3.29Å; A384-A388 WeakPolarHBondContact O-CB 3.37Å; A384-A388 PolarHBondContact O-N 3.04Å
385A98Very high97.4Very high7 Ų759.6 Ų59.66%0.05828%0.28CS..Hα-helixtrans-66.7-38.8173.600000112.4M300 I313 A381 A388 K389M300-A385 HydrophobicContact CB-CB 3.76Å; I313-A385 HydrophobicContact CB-CB 4.37Å; I313-A385 HydrophobicContact CD1-CB 3.77Å; I313-A385 HydrophobicContact CG1-CB 3.96Å; A381-A385 VanDerWaalsContact O-CB 3.28Å; A381-A385 WeakPolarHBondContact O-CB 3.09Å; A381-A385 PolarHBondContact O-N 3.22Å; A385-A388 PolarHBondContact O-N 2.92Å; A385-K389 WeakPolarHBondContact O-CG 3.46Å; A385-K389 PolarHBondContact O-N 3.34Å
386A98.1Very high97.4Very high60 Ų6056.9 Ų56.950%0.49628%0.275SS..Hα-helixtrans-63.9-43.2173.700000112.1Q382 R383 K389 Q390Q382-A386 WeakPolarHBondContact O-CB 3.45Å; Q382-A386 PolarHBondContact O-N 2.84Å; R383-A386 PolarHBondContact O-N 2.83Å; A386-K389 PolarHBondContact O-N 3.3Å; A386-Q390 PolarHBondContact O-N 2.89Å; A386-Q390 VanDerWaalsContact O-N 3.12Å
387I98.2Very high97.5Very high60 Ų6052.4 Ų52.431%0.30827%0.269SS..Hα-helixtrans-63.7-43.2172.9-63.3163.3000110.1Y141 R383 A384 K389 Q390 K391Y141-I387 HydrophobicContact CD1-CB 3.79Å; Y141-I387 HydrophobicContact CD1-CG2 3.51Å; Y141-I387 HydrophobicContact CD2-CG2 3.88Å; Y141-I387 HydrophobicContact CE1-CB 3.99Å; Y141-I387 HydrophobicContact CE1-CD1 4.15Å; Y141-I387 HydrophobicContact CE1-CG2 3.86Å; Y141-I387 HydrophobicContact CE2-CG2 4.23Å; Y141-I387 HydrophobicContact CG-CB 4.32Å; Y141-I387 HydrophobicContact CG-CG2 3.53Å; R383-I387 VanDerWaalsContact O-CG1 3.3Å; R383-I387 WeakPolarHBondContact O-CG1 3.45Å; R383-I387 PolarHBondContact O-N 2.89Å; A384-I387 PolarHBondContact O-N 2.85Å; I387-K389 PolarHBondContact O-N 2.81Å; I387-Q390 PolarHBondContact O-N 2.75Å; I387-K391 HydrophobicContact CG2-CG 3.98Å; I387-K391 WeakPolarHBondContact O-CB 3.2Å; I387-K391 WeakPolarHBondContact O-CG 3.42Å; I387-K391 PolarHBondContact O-N 3.34Å
388A97.6Very high97.5Very high0 Ų057.2 Ų57.20%029%0.287CS..Hα-helixtrans-60.1-4117700000112.7V143 M300 A384 A385 K391 A392V143-A388 HydrophobicContact CG2-CB 4.25Å; M300-A388 HydrophobicContact CB-CB 4.46Å; A384-A388 VanDerWaalsContact O-CB 3.29Å; A384-A388 WeakPolarHBondContact O-CB 3.37Å; A384-A388 PolarHBondContact O-N 3.04Å; A385-A388 PolarHBondContact O-N 2.92Å; A388-K391 PolarHBondContact O-N 2.89Å; A388-A392 WeakPolarHBondContact O-CB 3.28Å; A388-A392 PolarHBondContact O-N 3.41Å
389K97.8Very high97.4Very high123 Ų12356.9 Ų56.954%0.53529%0.285SS..Hα-helixtrans-59.6-49.8172.1-73.6-178-178.8-171.40111.7M300 A385 A386 I387 K391 A392 E393M300-K389 HydrophobicContact CE-CD 4.43Å; M300-K389 HydrophobicContact CE-CG 4Å; M300-K389 HydrophobicContact SD-CD 4.23Å; M300-K389 WeakPolarHBondContact SD-CE 3.44Å; M300-K389 HydrophobicContact SD-CG 3.97Å; A385-K389 WeakPolarHBondContact O-CG 3.46Å; A385-K389 PolarHBondContact O-N 3.34Å; A386-K389 PolarHBondContact O-N 3.3Å; I387-K389 PolarHBondContact O-N 2.81Å; K389-K391 VanDerWaalsContact C-N 3.25Å; K389-K391 PolarHBondContact O-N 2.72Å; K389-A392 PolarHBondContact O-N 2.73Å; K389-E393 PolarHBondContact O-N 2.97Å
390Q98.1Very high97.4Very high106 Ų10655.9 Ų55.950%0.49529%0.289SS..Hα-helixtrans-60.4-35176.5-168.1-169.634.700112.4A386 I387 I394A386-Q390 PolarHBondContact O-N 2.89Å; A386-Q390 VanDerWaalsContact O-N 3.12Å; I387-Q390 PolarHBondContact O-N 2.75Å; Q390-I394 HydrophobicContact CG-CD1 4.4Å; Q390-I394 WeakPolarHBondContact O-CD1 3.14Å; Q390-I394 VanDerWaalsContact O-CG1 3.29Å; Q390-I394 WeakPolarHBondContact O-CG1 3.02Å; Q390-I394 PolarHBondContact O-N 2.92Å
391K97.7Very high97.3Very high45 Ų4559.8 Ų59.820%0.19631%0.306CS..Hα-helixtrans-79-30.3-179.4-64.8-74.5174.9-165.90112.4Y118 I387 A388 K389 I394 A395Y118-K391 HydrophobicContact CE1-CB 4.4Å; Y118-K391 HydrophobicContact CE1-CD 3.64Å; Y118-K391 WeakPolarHBondContact OH-CD 3.49Å; Y118-K391 PolarHBondContact OH-NZ 3.16Å; I387-K391 HydrophobicContact CG2-CG 3.98Å; I387-K391 WeakPolarHBondContact O-CB 3.2Å; I387-K391 WeakPolarHBondContact O-CG 3.42Å; I387-K391 PolarHBondContact O-N 3.34Å; A388-K391 PolarHBondContact O-N 2.89Å; K389-K391 VanDerWaalsContact C-N 3.25Å; K389-K391 PolarHBondContact O-N 2.72Å; K391-I394 HydrophobicContact CD-CD1 4.32Å; K391-A395 WeakPolarHBondContact O-CB 3.21Å; K391-A395 PolarHBondContact O-N 3.37Å
392A97.5Very high97.3Very high6 Ų659.8 Ų59.85%0.0531%0.306CS..Hα-helixtrans-68.1-39.6167.300000111.9Q130 V143 A388 K389 A395 A396Q130-A392 HydrophobicContact CB-CB 3.77Å; V143-A392 HydrophobicContact CB-CB 4.19Å; V143-A392 HydrophobicContact CG2-CB 3.82Å; A388-A392 WeakPolarHBondContact O-CB 3.28Å; A388-A392 PolarHBondContact O-N 3.41Å; K389-A392 PolarHBondContact O-N 2.73Å; A392-A395 CarbonylContact O-C 3.52Å; A392-A395 WeakPolarHBondContact O-CA 3.16Å; A392-A395 WeakPolarHBondContact O-CB 3.47Å; A392-A395 PolarHBondContact O-N 2.95Å; A392-A395 VanDerWaalsContact O-N 3.13Å; A392-A396 PolarHBondContact O-N 3.14Å
393E97.1Very high97.2Very high139 Ų13960.3 Ų60.365%0.6531%0.307SS*.Hα-helixtrans-62.1-45.6173.4-176.2-176.4-168.400111.9K389 A395 A396 S397K389-E393 PolarHBondContact O-N 2.97Å; E393-A395 VanDerWaalsContact C-N 3.27Å; E393-A395 PolarHBondContact O-N 3.12Å; E393-A396 PolarHBondContact O-N 3.4Å; E393-S397 PolarHBondContact O-N 3.16Å
394I97.1Very high97.2Very high55 Ų5555 Ų5528%0.28230%0.3SS..Hα-helixtrans-61.2-37.5172-67.6163.7000110.9Y118 Q390 K391 S397 R398Y118-I394 HydrophobicContact CD1-CB 4.19Å; Y118-I394 HydrophobicContact CD1-CG2 3.66Å; Y118-I394 HydrophobicContact CD2-CG2 4.3Å; Y118-I394 HydrophobicContact CE1-CB 4.07Å; Y118-I394 HydrophobicContact CE1-CG2 3.61Å; Y118-I394 HydrophobicContact CE2-CG2 4.28Å; Y118-I394 HydrophobicContact CG-CG2 4.01Å; Q390-I394 HydrophobicContact CG-CD1 4.4Å; Q390-I394 WeakPolarHBondContact O-CD1 3.14Å; Q390-I394 VanDerWaalsContact O-CG1 3.29Å; Q390-I394 WeakPolarHBondContact O-CG1 3.02Å; Q390-I394 PolarHBondContact O-N 2.92Å; K391-I394 HydrophobicContact CD-CD1 4.32Å; I394-S397 PolarHBondContact O-N 2.81Å; I394-R398 WeakPolarHBondContact O-CG 3.38Å; I394-R398 PolarHBondContact O-N 2.98Å; I394-R398 VanDerWaalsContact O-N 3.1Å
395A96.9Very high97.2Very high0 Ų057.6 Ų57.60%031%0.311CS..Hα-helixtrans-64.7-47.6174.500000111.9Y118 K391 A392 E393 S397 R398 T399Y118-A395 HydrophobicContact CD1-CB 4.48Å; K391-A395 WeakPolarHBondContact O-CB 3.21Å; K391-A395 PolarHBondContact O-N 3.37Å; A392-A395 CarbonylContact O-C 3.52Å; A392-A395 WeakPolarHBondContact O-CA 3.16Å; A392-A395 WeakPolarHBondContact O-CB 3.47Å; A392-A395 PolarHBondContact O-N 2.95Å; A392-A395 VanDerWaalsContact O-N 3.13Å; E393-A395 VanDerWaalsContact C-N 3.27Å; E393-A395 PolarHBondContact O-N 3.12Å; A395-S397 VanDerWaalsContact C-N 3.27Å; A395-S397 PolarHBondContact O-N 3.31Å; A395-R398 CarbonylContact O-C 3.51Å; A395-R398 WeakPolarHBondContact O-CA 3.45Å; A395-R398 PolarHBondContact O-N 2.87Å; A395-T399 WeakPolarHBondContact O-CB 3.45Å; A395-T399 PolarHBondContact O-N 2.86Å; A395-T399 PolarHBondContact O-OG1 2.94Å; A395-T399 VanDerWaalsContact O-OG1 3.07Å
396A96.4Very high97.1Very high44 Ų4457.8 Ų57.836%0.36431%0.312SS..Hα-helixtrans-57-38.7175.300000112.5A392 E393 T399 S400A392-A396 PolarHBondContact O-N 3.14Å; E393-A396 PolarHBondContact O-N 3.4Å; A396-T399 WeakPolarHBondContact O-CB 3.37Å; A396-T399 PolarHBondContact O-N 2.84Å; A396-S400 PolarHBondContact O-N 3.24Å; A396-S400 PolarHBondContact O-OG 3Å
397S96.6Very high97.1Very high72 Ų7258.4 Ų58.450%0.50331%0.307SS..Hα-helixtrans-66-32.1173.2177.70000113.7E393 I394 A395 S400E393-S397 PolarHBondContact O-N 3.16Å; I394-S397 PolarHBondContact O-N 2.81Å; A395-S397 VanDerWaalsContact C-N 3.27Å; A395-S397 PolarHBondContact O-N 3.31Å; S397-S400 PolarHBondContact O-OG 3.18Å
398R95.9Very high97.1Very high103 Ų10356.3 Ų56.339%0.38930%0.3SS..Hα-helixtrans-80.6-34.2173.8-64.4-68.2168.6-161.4-11.2112Y94 T109 I394 A395 H401 A402Y94-R398 PolarHBondContact OH-NH1 2.85Å; T109-R398 HydrophobicContact CG2-CB 4.47Å; I394-R398 WeakPolarHBondContact O-CG 3.38Å; I394-R398 PolarHBondContact O-N 2.98Å; I394-R398 VanDerWaalsContact O-N 3.1Å; A395-R398 CarbonylContact O-C 3.51Å; A395-R398 WeakPolarHBondContact O-CA 3.45Å; A395-R398 PolarHBondContact O-N 2.87Å; R398-H401 PolarHBondContact O-N 3.41Å; R398-A402 WeakPolarHBondContact O-CB 3.36Å; R398-A402 PolarHBondContact O-N 3.43Å
399T95.8Very high97.1Very high16 Ų1656.3 Ų56.310%0.09830%0.3CS..Hα-helixtrans-59.8-48.3172-68.70000111.2E107 T120 A395 A396 H401 A402 K403E107-T399 HydrophobicContact CB-CG2 3.68Å; E107-T399 HydrophobicContact CG-CG2 4.5Å; E107-T399 PolarHBondContact O-OG1 3.32Å; E107-T399 VanDerWaalsContact O-OG1 3.08Å; T120-T399 WeakPolarHBondContact CB-OG1 3.29Å; T120-T399 PolarHBondContact N-OG1 3.34Å; T120-T399 PolarHBondContact OG1-OG1 2.57Å; A395-T399 WeakPolarHBondContact O-CB 3.45Å; A395-T399 PolarHBondContact O-N 2.86Å; A395-T399 PolarHBondContact O-OG1 2.94Å; A395-T399 VanDerWaalsContact O-OG1 3.07Å; A396-T399 WeakPolarHBondContact O-CB 3.37Å; A396-T399 PolarHBondContact O-N 2.84Å; T399-H401 VanDerWaalsContact C-N 3.32Å; T399-H401 PolarHBondContact O-N 2.99Å; T399-A402 CarbonylContact O-C 3.58Å; T399-A402 PolarHBondContact O-N 3.06Å; T399-A402 VanDerWaalsContact O-N 3.16Å; T399-K403 WeakPolarHBondContact O-CB 3.33Å; T399-K403 PolarHBondContact O-N 2.84Å
400S96.4Very high97.1Very high78 Ų7853.1 Ų53.155%0.54529%0.287SS..Hα-helixtrans-64.2-35.2177.964.70000112.9A396 S397 G404A396-S400 PolarHBondContact O-N 3.24Å; A396-S400 PolarHBondContact O-OG 3Å; S397-S400 PolarHBondContact O-OG 3.18Å; S400-G404 PolarHBondContact O-N 2.65Å
401H96.8Very high97.1Very high85 Ų8554.3 Ų54.339%0.39429%0.293SS..Hα-helixtrans-69.4-40.1172.1-16680.5000112.5Y94 R398 T399 K403 G404 K405Y94-H401 AromaticContact CD1-CD2 3.75Å; Y94-H401 AromaticContact CD2-CD2 3.57Å; Y94-H401 AromaticContact CD2-NE2 3.85Å; Y94-H401 AromaticContact CE1-CD2 3.75Å; Y94-H401 AromaticContact CE2-CD2 3.56Å; Y94-H401 AromaticContact CE2-NE2 3.76Å; Y94-H401 AromaticContact CG-CD2 3.65Å; Y94-H401 AromaticContact CZ-CD2 3.64Å; R398-H401 PolarHBondContact O-N 3.41Å; T399-H401 VanDerWaalsContact C-N 3.32Å; T399-H401 PolarHBondContact O-N 2.99Å; H401-K403 VanDerWaalsContact C-N 3.33Å; H401-G404 PolarHBondContact O-N 2.89Å; H401-K405 VanDerWaalsContact O-CG 3.29Å; H401-K405 WeakPolarHBondContact O-CG 3.46Å; H401-K405 PolarHBondContact O-N 2.75Å; H401-K405 VanDerWaalsContact O-N 3.07Å
402A97Very high97.1Very high0 Ų052.3 Ų52.30%028%0.284CS..Hα-helixtrans-64.5-37.2174.500000112.3Y94 R398 T399 K405 S406Y94-A402 HydrophobicContact CD1-CB 4.49Å; R398-A402 WeakPolarHBondContact O-CB 3.36Å; R398-A402 PolarHBondContact O-N 3.43Å; T399-A402 CarbonylContact O-C 3.58Å; T399-A402 PolarHBondContact O-N 3.06Å; T399-A402 VanDerWaalsContact O-N 3.16Å; A402-K405 PolarHBondContact O-N 2.84Å; A402-S406 PolarHBondContact O-N 2.96Å
403K96.6Very high97.1Very high108 Ų10852.2 Ų52.247%0.4728%0.284SS..Hα-helixtrans-62.5-51.7171.6-177.7176.2175.7-179.60111.3T399 H401 K405 S406 D407T399-K403 WeakPolarHBondContact O-CB 3.33Å; T399-K403 PolarHBondContact O-N 2.84Å; H401-K403 VanDerWaalsContact C-N 3.33Å; K403-K405 PolarHBondContact O-N 2.83Å; K403-K405 VanDerWaalsContact O-N 3.09Å; K403-S406 CarbonylContact O-C 3.57Å; K403-S406 WeakPolarHBondContact O-CA 3.44Å; K403-S406 VanDerWaalsContact O-CB 3.27Å; K403-S406 WeakPolarHBondContact O-CB 3.28Å; K403-S406 PolarHBondContact O-N 2.91Å; K403-D407 PolarHBondContact O-N 2.87Å
404G97.4Very high97.2Very high43 Ų4351 Ų5144%0.44328%0.278SS..Hα-helixtrans-58.3-27.7176.300000114S400 H401 G408S400-G404 PolarHBondContact O-N 2.65Å; H401-G404 PolarHBondContact O-N 2.89Å; G404-G408 PolarHBondContact O-N 3.06Å
405K97.6Very high97.2Very high60 Ų6050.1 Ų50.126%0.26128%0.279SS..Hα-helixtrans-77.7-31.8171.6-67.8-75.2-178.71520113.4L72 E85 H401 A402 K403 A409L72-K405 HydrophobicContact CD2-CD 4.13Å; E85-K405 HydrophobicContact CG-CB 4.47Å; E85-K405 HydrophobicContact CG-CD 3.88Å; E85-K405 HydrophobicContact CG-CG 4.35Å; E85-K405 VanDerWaalsContact OE1-CE 3.24Å; E85-K405 WeakPolarHBondContact OE1-CE 3.37Å; E85-K405 IonicContact OE1-NZ 3.05Å; E85-K405 PolarHBondContact OE1-NZ 3.25Å; H401-K405 VanDerWaalsContact O-CG 3.29Å; H401-K405 WeakPolarHBondContact O-CG 3.46Å; H401-K405 PolarHBondContact O-N 2.75Å; H401-K405 VanDerWaalsContact O-N 3.07Å; A402-K405 PolarHBondContact O-N 2.84Å; K403-K405 PolarHBondContact O-N 2.83Å; K403-K405 VanDerWaalsContact O-N 3.09Å; K405-A409 WeakPolarHBondContact O-CB 3.32Å; K405-A409 PolarHBondContact O-N 2.85Å
406S97.5Very high97.2Very high10 Ų1050.1 Ų50.17%0.0728%0.279CS..Hα-helixtrans-66.8-45.9168.6170.70000111.3R83 A402 K403 G408 A409 E410R83-S406 VanDerWaalsContact CB-OG 3.31Å; R83-S406 WeakPolarHBondContact CB-OG 3.37Å; A402-S406 PolarHBondContact O-N 2.96Å; K403-S406 CarbonylContact O-C 3.57Å; K403-S406 WeakPolarHBondContact O-CA 3.44Å; K403-S406 VanDerWaalsContact O-CB 3.27Å; K403-S406 WeakPolarHBondContact O-CB 3.28Å; K403-S406 PolarHBondContact O-N 2.91Å; S406-G408 VanDerWaalsContact C-N 3.32Å; S406-G408 PolarHBondContact O-N 2.87Å; S406-A409 CarbonylContact O-C 3.52Å; S406-A409 WeakPolarHBondContact O-CA 3.45Å; S406-A409 WeakPolarHBondContact O-CB 3.37Å; S406-A409 PolarHBondContact O-N 3.15Å; S406-E410 PolarHBondContact O-N 2.98Å
407D97.9Very high97.2Very high73 Ų7350.9 Ų50.939%0.3928%0.277SS..Hα-helixtrans-62.4-40179.6-56.6-23.8000111K403 E410 Q411K403-D407 PolarHBondContact O-N 2.87Å; D407-E410 WeakPolarHBondContact O-CB 3.27Å; D407-E410 PolarHBondContact O-N 2.66Å; D407-Q411 WeakPolarHBondContact O-CG 3.31Å; D407-Q411 PolarHBondContact O-N 3.31Å
408G98.1Very high97.3Very high16 Ų1652.4 Ų52.417%0.16528%0.279CS..Hα-helixtrans-70.7-27.5171.300000114.4G404 S406 A412G404-G408 PolarHBondContact O-N 3.06Å; S406-G408 VanDerWaalsContact C-N 3.32Å; S406-G408 PolarHBondContact O-N 2.87Å; G408-A412 PolarHBondContact O-N 2.55Å; G408-A412 VanDerWaalsContact O-N 3.1Å
409A98.1Very high97.4Very high0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-73.3-32.217200000112.1L72 V74 R83 G84 K405 S406 A412 A413L72-A409 HydrophobicContact CB-CB 4.31Å; V74-A409 HydrophobicContact CG2-CB 4.44Å; R83-A409 HydrophobicContact CB-CB 4.42Å; G84-A409 VanDerWaalsContact N-CB 3.32Å; K405-A409 WeakPolarHBondContact O-CB 3.32Å; K405-A409 PolarHBondContact O-N 2.85Å; S406-A409 CarbonylContact O-C 3.52Å; S406-A409 WeakPolarHBondContact O-CA 3.45Å; S406-A409 WeakPolarHBondContact O-CB 3.37Å; S406-A409 PolarHBondContact O-N 3.15Å; A409-A412 WeakPolarHBondContact O-CB 3.33Å; A409-A412 PolarHBondContact O-N 3.18Å; A409-A413 PolarHBondContact O-N 3.42Å
410E97.5Very high97.4Very high56 Ų5649.3 Ų49.326%0.26227%0.269SS..Hα-helixtrans-61.8-46.8171.4-16074.9165.900111.2R83 S406 D407 A412 A413 Q414R83-E410 WeakPolarHBondContact CD-OE2 3.34Å; R83-E410 IonicContact CZ-OE1 3.63Å; R83-E410 IonicContact CZ-OE2 3.6Å; R83-E410 IonicContact NE-OE2 2.68Å; R83-E410 PolarHBondContact NE-OE2 2.99Å; R83-E410 IonicContact NH1-OE1 3.72Å; R83-E410 PolarHBondContact NH1-OE1 3.38Å; R83-E410 IonicContact NH1-OE2 2.73Å; R83-E410 PolarHBondContact NH1-OE2 3.29Å; R83-E410 IonicContact NH2-OE1 2.96Å; S406-E410 PolarHBondContact O-N 2.98Å; D407-E410 WeakPolarHBondContact O-CB 3.27Å; D407-E410 PolarHBondContact O-N 2.66Å; E410-A412 VanDerWaalsContact C-N 3.28Å; E410-A412 PolarHBondContact O-N 2.88Å; E410-A413 PolarHBondContact O-N 2.94Å; E410-A413 VanDerWaalsContact O-N 3.14Å; E410-Q414 WeakPolarHBondContact O-CG 3.18Å; E410-Q414 PolarHBondContact O-N 2.75Å
411Q97.9Very high97.4Very high132 Ų13248.7 Ų48.762%0.61726%0.264SS*.Hα-helixtrans-61.5-38175.4-66.2169.922.900111.5D407 Q414 A415D407-Q411 WeakPolarHBondContact O-CG 3.31Å; D407-Q411 PolarHBondContact O-N 3.31Å; Q411-Q414 PolarHBondContact O-N 3.02Å; Q411-A415 WeakPolarHBondContact O-CB 3.48Å; Q411-A415 PolarHBondContact O-N 3.31Å
412A97.6Very high97.4Very high2 Ų247.9 Ų47.92%0.01726%0.262CS..Hα-helixtrans-65.8-37.3174.100000112.8Y63 L72 G408 A409 E410 S416Y63-A412 HydrophobicContact CD2-CB 3.89Å; Y63-A412 HydrophobicContact CE2-CB 3.59Å; L72-A412 HydrophobicContact CB-CB 4.03Å; G408-A412 PolarHBondContact O-N 2.55Å; G408-A412 VanDerWaalsContact O-N 3.1Å; A409-A412 WeakPolarHBondContact O-CB 3.33Å; A409-A412 PolarHBondContact O-N 3.18Å; E410-A412 VanDerWaalsContact C-N 3.28Å; E410-A412 PolarHBondContact O-N 2.88Å; A412-S416 WeakPolarHBondContact O-CB 3.19Å; A412-S416 PolarHBondContact O-N 2.92Å; A412-S416 PolarHBondContact O-OG 2.91Å
413A97.8Very high97.4Very high5 Ų547.9 Ų47.94%0.04126%0.262CS..Hα-helixtrans-70.4-42.8174.800000111.9E61 V74 A409 E410 A415 S416 N417E61-A413 HydrophobicContact CB-CB 3.7Å; V74-A413 HydrophobicContact CB-CB 4.08Å; V74-A413 HydrophobicContact CG2-CB 3.7Å; A409-A413 PolarHBondContact O-N 3.42Å; E410-A413 PolarHBondContact O-N 2.94Å; E410-A413 VanDerWaalsContact O-N 3.14Å; A413-A415 PolarHBondContact O-N 3.18Å; A413-S416 WeakPolarHBondContact O-CB 3.31Å; A413-S416 PolarHBondContact O-N 3.44Å; A413-S416 VanDerWaalsContact O-N 3.14Å; A413-N417 PolarHBondContact O-N 2.88Å; A413-N417 PolarHBondContact O-ND2 2.83Å
414Q97.9Very high97.3Very high114 Ų11445 Ų4553%0.53325%0.248SC..Hα-helixtrans-59-47173.9-711724.600111.4E410 Q411 S416 N417 N418E410-Q414 WeakPolarHBondContact O-CG 3.18Å; E410-Q414 PolarHBondContact O-N 2.75Å; Q411-Q414 PolarHBondContact O-N 3.02Å; Q414-S416 VanDerWaalsContact C-N 3.34Å; Q414-S416 PolarHBondContact O-N 2.96Å; Q414-N417 PolarHBondContact O-N 2.91Å; Q414-N418 PolarHBondContact O-N 3.2Å; Q414-N418 VanDerWaalsContact O-N 3.1Å; Q414-N418 PolarHBondContact O-ND2 3.23Å
415A97.1Very high97.2Very high36 Ų3648.7 Ų48.730%0.29826%0.257SS..Hα-helixtrans-58.6-44.9172.300000111.8Q411 A413 N417 N418 E419Q411-A415 WeakPolarHBondContact O-CB 3.48Å; Q411-A415 PolarHBondContact O-N 3.31Å; A413-A415 PolarHBondContact O-N 3.18Å; A415-N417 VanDerWaalsContact C-N 3.33Å; A415-N417 PolarHBondContact O-N 3.34Å; A415-N418 WeakPolarHBondContact O-CB 3.39Å; A415-N418 PolarHBondContact O-N 3.06Å; A415-N418 VanDerWaalsContact O-N 3.16Å; A415-E419 WeakPolarHBondContact O-CG 3.47Å; A415-E419 PolarHBondContact O-N 3.19Å
416S97.6Very high97.1Very high0 Ų047.4 Ų47.40%026%0.255CS..Hα-helixtrans-61.8-36.9178.5-61.30000113.6V49 G62 A412 A413 Q414 S420V49-S416 WeakPolarHBondContact CG1-OG 3.19Å; G62-S416 WeakPolarHBondContact CA-OG 3.34Å; G62-S416 PolarHBondContact N-OG 3.32Å; G62-S416 PolarHBondContact O-OG 3.11Å; A412-S416 WeakPolarHBondContact O-CB 3.19Å; A412-S416 PolarHBondContact O-N 2.92Å; A412-S416 PolarHBondContact O-OG 2.91Å; A413-S416 WeakPolarHBondContact O-CB 3.31Å; A413-S416 PolarHBondContact O-N 3.44Å; A413-S416 VanDerWaalsContact O-N 3.14Å; Q414-S416 VanDerWaalsContact C-N 3.34Å; Q414-S416 PolarHBondContact O-N 2.96Å; S416-S420 VanDerWaalsContact O-CB 3.28Å; S416-S420 WeakPolarHBondContact O-CB 3.29Å; S416-S420 PolarHBondContact O-N 3.46Å
417N97.1Very high96.9Very high60 Ų6047 Ų4732%0.32125%0.251SS..Hα-helixtrans-70.5-33.9175.7-78.7-71.5000112.1E61 A413 Q414 A415 S421E61-N417 PolarHBondContact OE2-ND2 2.62Å; A413-N417 PolarHBondContact O-N 2.88Å; A413-N417 PolarHBondContact O-ND2 2.83Å; Q414-N417 PolarHBondContact O-N 2.91Å; A415-N417 VanDerWaalsContact C-N 3.33Å; A415-N417 PolarHBondContact O-N 3.34Å; N417-S421 WeakPolarHBondContact O-CB 3.33Å; N417-S421 PolarHBondContact O-N 2.69Å; N417-S421 PolarHBondContact O-OG 2.8Å
418N97.7Very high96.7Very high104 Ų10450.2 Ų50.256%0.55626%0.262SS*.Hα-helixtrans-65.1-49.9171-65.2-21000111Q414 A415 S420 S421 I422Q414-N418 PolarHBondContact O-N 3.2Å; Q414-N418 VanDerWaalsContact O-N 3.1Å; Q414-N418 PolarHBondContact O-ND2 3.23Å; A415-N418 WeakPolarHBondContact O-CB 3.39Å; A415-N418 PolarHBondContact O-N 3.06Å; A415-N418 VanDerWaalsContact O-N 3.16Å; N418-S420 VanDerWaalsContact C-N 3.33Å; N418-S420 PolarHBondContact O-N 3.4Å; N418-S421 WeakPolarHBondContact O-CB 3.37Å; N418-S421 PolarHBondContact O-N 2.95Å; N418-S421 VanDerWaalsContact O-N 3.12Å; N418-I422 WeakPolarHBondContact O-CG1 3.36Å; N418-I422 PolarHBondContact O-N 3.15Å
419E97.4Very high96.4Very high48 Ų4855.6 Ų55.622%0.22428%0.283CS..Hα-helixtrans-59.3-41.4176.3-66.5-64.7128.300112H26 S41 V49 A415 I422 A423H26-E419 IonicContact CD2-OE2 3.76Å; H26-E419 PolarHBondContact CD2-OE2 2.87Å; H26-E419 IonicContact NE2-OE2 3.04Å; H26-E419 PolarHBondContact NE2-OE2 2.87Å; S41-E419 WeakPolarHBondContact CB-OE2 3.4Å; S41-E419 PolarHBondContact OG-OE2 2.83Å; V49-E419 HydrophobicContact CB-CG 4.35Å; V49-E419 HydrophobicContact CG1-CB 4.41Å; V49-E419 HydrophobicContact CG1-CG 3.81Å; A415-E419 WeakPolarHBondContact O-CG 3.47Å; A415-E419 PolarHBondContact O-N 3.19Å; E419-I422 PolarHBondContact O-N 2.93Å; E419-A423 WeakPolarHBondContact O-CB 3.5Å; E419-A423 PolarHBondContact O-N 2.82Å
420S97.1Very high96.2Very high5 Ų558.3 Ų58.34%0.03530%0.297CS..Hα-helixtrans-61-45.6172.9177.60000111.5S39 S416 N418 I422 A423 R424S39-S420 WeakPolarHBondContact CB-OG 3.46Å; S39-S420 WeakPolarHBondContact O-CB 3.26Å; S39-S420 PolarHBondContact OG-OG 2.87Å; S416-S420 VanDerWaalsContact O-CB 3.28Å; S416-S420 WeakPolarHBondContact O-CB 3.29Å; S416-S420 PolarHBondContact O-N 3.46Å; N418-S420 VanDerWaalsContact C-N 3.33Å; N418-S420 PolarHBondContact O-N 3.4Å; S420-I422 PolarHBondContact O-N 3.4Å; S420-A423 WeakPolarHBondContact O-CB 3.4Å; S420-A423 PolarHBondContact O-N 2.96Å; S420-R424 VanDerWaalsContact O-CG 3.29Å; S420-R424 WeakPolarHBondContact O-CG 3.25Å; S420-R424 PolarHBondContact O-N 2.87Å; S420-R424 PolarHBondContact OG-NE 2.91Å
421S96.8Very high95.9Very high65 Ų6556.4 Ų56.446%0.45529%0.29SS..Hα-helixtrans-61.4-42.6178.8-60.70000111.9N417 N418 R424 L425N417-S421 WeakPolarHBondContact O-CB 3.33Å; N417-S421 PolarHBondContact O-N 2.69Å; N417-S421 PolarHBondContact O-OG 2.8Å; N418-S421 WeakPolarHBondContact O-CB 3.37Å; N418-S421 PolarHBondContact O-N 2.95Å; N418-S421 VanDerWaalsContact O-N 3.12Å; S421-R424 PolarHBondContact O-N 2.96Å; S421-L425 WeakPolarHBondContact O-CG 3.5Å; S421-L425 PolarHBondContact O-N 3.05Å; S421-L425 VanDerWaalsContact O-N 3.11Å
422I96.8Very high95.6Very high68 Ų6855.4 Ų55.435%0.34930%0.295SS..Hα-helixtrans-64.1-44.9174.1-61.4164.4000110.4H26 N418 E419 S420 R424 L425 V426H26-I422 HydrophobicContact CB-CG2 4.07Å; H26-I422 VanDerWaalsContact CG-CG2 3.49Å; N418-I422 WeakPolarHBondContact O-CG1 3.36Å; N418-I422 PolarHBondContact O-N 3.15Å; E419-I422 PolarHBondContact O-N 2.93Å; S420-I422 PolarHBondContact O-N 3.4Å; I422-R424 VanDerWaalsContact C-N 3.27Å; I422-R424 PolarHBondContact O-N 2.68Å; I422-L425 PolarHBondContact O-N 3.39Å; I422-V426 HydrophobicContact CG2-CG2 4.29Å; I422-V426 WeakPolarHBondContact O-CG2 3.27Å; I422-V426 PolarHBondContact O-N 2.92Å
423A96.7Very high95.1Very high0 Ų060.6 Ų60.60%033%0.331CS..Hα-helixtrans-59.3-35.2176.100000113.2H26 I28 E419 S420 A427H26-A423 HydrophobicContact CB-CB 4.1Å; I28-A423 HydrophobicContact CG1-CB 4.44Å; E419-A423 WeakPolarHBondContact O-CB 3.5Å; E419-A423 PolarHBondContact O-N 2.82Å; S420-A423 WeakPolarHBondContact O-CB 3.4Å; S420-A423 PolarHBondContact O-N 2.96Å; A423-A427 VanDerWaalsContact O-CB 3.26Å; A423-A427 WeakPolarHBondContact O-CB 3.4Å; A423-A427 PolarHBondContact O-N 2.95Å
424R95Very high94.7Very high47 Ų4761.2 Ų61.218%0.17733%0.333CS..Hα-helixtrans-69.4-39.6175.3-68.9177.7-170-66.1-5.4113.1I28 E37 S39 S420 S421 I422 K428 Q436I28-R424 HydrophobicContact CD1-CG 3.92Å; E37-R424 IonicContact OE1-CZ 3.48Å; E37-R424 IonicContact OE1-NH1 3.22Å; E37-R424 PolarHBondContact OE1-NH1 2.88Å; E37-R424 IonicContact OE1-NH2 2.69Å; E37-R424 PolarHBondContact OE1-NH2 2.81Å; E37-R424 IonicContact OE2-NH1 3.15Å; S39-R424 PolarHBondContact OG-NH2 3.14Å; S420-R424 VanDerWaalsContact O-CG 3.29Å; S420-R424 WeakPolarHBondContact O-CG 3.25Å; S420-R424 PolarHBondContact O-N 2.87Å; S420-R424 PolarHBondContact OG-NE 2.91Å; S421-R424 PolarHBondContact O-N 2.96Å; I422-R424 VanDerWaalsContact C-N 3.27Å; I422-R424 PolarHBondContact O-N 2.68Å; R424-K428 VanDerWaalsContact O-CB 3.29Å; R424-K428 WeakPolarHBondContact O-CB 3.27Å; R424-K428 PolarHBondContact O-N 3.14Å; R424-Q436 VanDerWaalsContact NH1-OE1 3.16Å
425L94.4Very high94.1Very high121 Ų12163.2 Ų63.263%0.63434%0.336SS*.Hα-helixtrans-65.5-47.9173.7-67.7172.5000111S421 I422 A427 K428 E429S421-L425 WeakPolarHBondContact O-CG 3.5Å; S421-L425 PolarHBondContact O-N 3.05Å; S421-L425 VanDerWaalsContact O-N 3.11Å; I422-L425 PolarHBondContact O-N 3.39Å; L425-A427 PolarHBondContact O-N 2.91Å; L425-K428 PolarHBondContact O-N 3.22Å; L425-E429 PolarHBondContact O-N 3.21Å
426V94.6Very high93.7Very high34 Ų3463.4 Ų63.421%0.20633%0.331CS..Hα-helixtrans-60.8-44.7177.5169.70000111.7H26 I422 K428 E429 L430H26-V426 HydrophobicContact CB-CG2 4.33Å; I422-V426 HydrophobicContact CG2-CG2 4.29Å; I422-V426 WeakPolarHBondContact O-CG2 3.27Å; I422-V426 PolarHBondContact O-N 2.92Å; V426-K428 VanDerWaalsContact C-N 3.33Å; V426-K428 PolarHBondContact O-N 3.24Å; V426-E429 PolarHBondContact O-N 3.06Å; V426-L430 HydrophobicContact CG1-CD1 3.63Å; V426-L430 HydrophobicContact CG1-CG 4.32Å; V426-L430 WeakPolarHBondContact O-CB 3.4Å; V426-L430 VanDerWaalsContact O-CG 3.25Å; V426-L430 WeakPolarHBondContact O-CG 3.32Å; V426-L430 PolarHBondContact O-N 3.3Å
427A94.2Very high93.2Very high0 Ų063.5 Ų63.50%033%0.332CS..Hα-helixtrans-63.2-38.7176.100000112.2C15 I28 A423 L425 S431 F434C15-A427 HydrophobicContact CB-CB 4.12Å; I28-A427 HydrophobicContact CD1-CB 3.79Å; I28-A427 HydrophobicContact CG1-CB 4.09Å; A423-A427 VanDerWaalsContact O-CB 3.26Å; A423-A427 WeakPolarHBondContact O-CB 3.4Å; A423-A427 PolarHBondContact O-N 2.95Å; L425-A427 PolarHBondContact O-N 2.91Å; A427-S431 CarbonylContact O-C 3.51Å; A427-S431 PolarHBondContact O-N 2.88Å; A427-F434 HydrophobicContact CB-CD1 4.15Å; A427-F434 HydrophobicContact CB-CE1 4.5Å
428K92.7Very high92.6Very high142 Ų14260.6 Ų60.662%0.61732%0.316SS*.Hα-helixtrans-69.2-34.5176.8-174.6178.4179.2-178.60112.9R424 L425 V426 P432R424-K428 VanDerWaalsContact O-CB 3.29Å; R424-K428 WeakPolarHBondContact O-CB 3.27Å; R424-K428 PolarHBondContact O-N 3.14Å; L425-K428 PolarHBondContact O-N 3.22Å; V426-K428 VanDerWaalsContact C-N 3.33Å; V426-K428 PolarHBondContact O-N 3.24Å; K428-P432 WeakPolarHBondContact O-CA 3.29Å; K428-P432 WeakPolarHBondContact O-CG 3.33Å
429E93.6Very high92.1Very high129 Ų12957.7 Ų57.760%0.60330%0.303SS*.Hα-helixtrans-69.4-46.5174.2-173.5-174.8170.200111.4L425 V426L425-E429 PolarHBondContact O-N 3.21Å; V426-E429 PolarHBondContact O-N 3.06Å
430L93.1Very high91.7Very high57 Ų5759.4 Ų59.430%0.29831%0.311SS..Hα-helixtrans-74.4-29-177.8-66.5172.6000113.6G16 V426G16-L430 WeakPolarHBondContact O-CD1 3.49Å; V426-L430 HydrophobicContact CG1-CD1 3.63Å; V426-L430 HydrophobicContact CG1-CG 4.32Å; V426-L430 WeakPolarHBondContact O-CB 3.4Å; V426-L430 VanDerWaalsContact O-CG 3.25Å; V426-L430 WeakPolarHBondContact O-CG 3.32Å; V426-L430 PolarHBondContact O-N 3.3Å
431S91.9Very high91.4Very high16 Ų1660.5 Ų60.511%0.11232%0.315CS..  trans-153.786.7180-166.30000110.9R5 A427 S433 F434R5-S431 WeakPolarHBondContact CD-OG 3.47Å; A427-S431 CarbonylContact O-C 3.51Å; A427-S431 PolarHBondContact O-N 2.88Å; S431-S433 PolarHBondContact O-N 2.79Å; S431-F434 WeakPolarHBondContact O-CB 3.31Å; S431-F434 PolarHBondContact O-N 3.4Å
432P90.1Very high90.9Very high110 Ų11060.3 Ų60.371%0.71431%0.308SS*.THydrogen-bonded Turntrans-59.1-21.9-178.1-26.533.9000115.2K428K428-P432 WeakPolarHBondContact O-CA 3.29Å; K428-P432 WeakPolarHBondContact O-CG 3.33Å
433S88.7Confident90.5Very high111 Ų11163 Ų6378%0.77632%0.317SS*.THydrogen-bonded Turntrans-89.82.7175.953.10000114.2S431 Y435S431-S433 PolarHBondContact O-N 2.79Å; S433-Y435 PolarHBondContact O-N 2.93Å
434F87.8Confident90.1Very high19 Ų1969.2 Ų69.28%0.08335%0.345CS..  trans-71.9115.8-179.7-179.8-115.1000111.8A13 C15 I28 T30 A427 S431 Q436A13-F434 HydrophobicContact CB-CE2 3.94Å; C15-F434 HydrophobicContact CB-CD1 3.84Å; C15-F434 HydrophobicContact CB-CD2 4.14Å; C15-F434 HydrophobicContact CB-CE1 3.85Å; C15-F434 HydrophobicContact CB-CE2 4.14Å; C15-F434 HydrophobicContact CB-CG 3.98Å; C15-F434 HydrophobicContact CB-CZ 3.99Å; I28-F434 HydrophobicContact CB-CE1 3.85Å; I28-F434 HydrophobicContact CB-CZ 4.4Å; I28-F434 HydrophobicContact CD1-CE1 4.19Å; I28-F434 HydrophobicContact CG2-CE1 3.75Å; I28-F434 HydrophobicContact CG2-CZ 4.09Å; T30-F434 HydrophobicContact CG2-CZ 4.28Å; A427-F434 HydrophobicContact CB-CD1 4.15Å; A427-F434 HydrophobicContact CB-CE1 4.5Å; S431-F434 WeakPolarHBondContact O-CB 3.31Å; S431-F434 PolarHBondContact O-N 3.4Å; F434-Q436 HydrophobicContact CD1-CG 3.88Å; F434-Q436 HydrophobicContact CE1-CG 4.08Å; F434-Q436 PolarHBondContact O-N 3.5Å
435Y85.6Confident89.7Confident155 Ų15569.7 Ų69.761%0.60835%0.346SS*.  trans-70.4123.9176.3178.4-117000111.6S433 P437S433-Y435 PolarHBondContact O-N 2.93Å; Y435-P437 HydrophobicContact CD1-CB 4.41Å; Y435-P437 HydrophobicContact CE1-CB 3.66Å; Y435-P437 HydrophobicContact CE1-CG 4.22Å; Y435-P437 WeakPolarHBondContact O-CD 3.25Å
436Q88.1Confident89.2Confident41 Ų4167.7 Ų67.719%0.19234%0.339CS..  trans-110.295.7177.9-59.8-176.423.900109I28 E37 R424 F434 G438 P439I28-Q436 HydrophobicContact CD1-CG 3.77Å; E37-Q436 VanDerWaalsContact OE2-CA 3.26Å; E37-Q436 WeakPolarHBondContact OE2-CA 3.4Å; R424-Q436 VanDerWaalsContact NH1-OE1 3.16Å; F434-Q436 HydrophobicContact CD1-CG 3.88Å; F434-Q436 HydrophobicContact CE1-CG 4.08Å; F434-Q436 PolarHBondContact O-N 3.5Å; Q436-G438 VanDerWaalsContact C-N 3.3Å; Q436-G438 PolarHBondContact O-N 2.99Å; Q436-P439 WeakPolarHBondContact O-CD 3.31Å
437P87.2Confident88.8Confident1 Ų171.6 Ų71.61%0.00636%0.358CS..  trans-71-18.3-177.226.4-34.5000114.9T30 E37 Y435 E440 Y441T30-P437 HydrophobicContact CG2-CG 3.85Å; E37-P437 HydrophobicContact CB-CG 4.37Å; E37-P437 WeakPolarHBondContact OE2-CD 3.48Å; E37-P437 VanDerWaalsContact OE2-N 3.09Å; Y435-P437 HydrophobicContact CD1-CB 4.41Å; Y435-P437 HydrophobicContact CE1-CB 3.66Å; Y435-P437 HydrophobicContact CE1-CG 4.22Å; Y435-P437 WeakPolarHBondContact O-CD 3.25Å; P437-E440 PolarHBondContact O-N 3.35Å; P437-E440 VanDerWaalsContact O-N 3.14Å; P437-Y441 HydrophobicContact CB-CD2 4.36Å; P437-Y441 HydrophobicContact CB-CE1 4.34Å; P437-Y441 HydrophobicContact CB-CE2 3.72Å; P437-Y441 HydrophobicContact CG-CE2 4.16Å; P437-Y441 WeakPolarHBondContact O-CD2 3.44Å; P437-Y441 PolarHBondContact O-N 3.38Å; P437-Y441 VanDerWaalsContact O-N 3.08Å
438G85.6Confident88.3Confident0 Ų075.6 Ų75.60%038%0.379CS..Hα-helixtrans-53-53.1-174.600000114.5E37 Q436 E440 Y441 L442E37-G438 WeakPolarHBondContact OE1-CA 3.36Å; E37-G438 PolarHBondContact OE2-N 3.01Å; Q436-G438 VanDerWaalsContact C-N 3.3Å; Q436-G438 PolarHBondContact O-N 2.99Å; G438-E440 VanDerWaalsContact C-N 3.3Å; G438-E440 PolarHBondContact O-N 2.93Å; G438-Y441 PolarHBondContact O-N 3.44Å; G438-L442 PolarHBondContact O-N 3.21Å
439P87.6Confident87.8Confident43 Ų4370.6 Ų70.628%0.27936%0.358SS..Hα-helixtrans-59.9-34.7176.9-26.836.7000114.1Q436 L442 K443Q436-P439 WeakPolarHBondContact O-CD 3.31Å; P439-L442 PolarHBondContact O-N 3.5Å; P439-K443 WeakPolarHBondContact O-CG 3.33Å; P439-K443 PolarHBondContact O-N 3.29Å
440E88.2Confident87.2Confident84 Ų8466.9 Ų66.939%0.39335%0.349SS..Hα-helixtrans-71.9-35178.6-57-48.1125.800112P437 G438 L442 K443 K444P437-E440 PolarHBondContact O-N 3.35Å; P437-E440 VanDerWaalsContact O-N 3.14Å; G438-E440 VanDerWaalsContact C-N 3.3Å; G438-E440 PolarHBondContact O-N 2.93Å; E440-L442 VanDerWaalsContact C-N 3.31Å; E440-L442 PolarHBondContact O-N 3.07Å; E440-K443 VanDerWaalsContact CD-NZ 3.3Å; E440-K443 WeakPolarHBondContact OE1-CE 3.32Å; E440-K443 IonicContact OE1-NZ 3.32Å; E440-K443 PolarHBondContact OE1-NZ 3.48Å; E440-K443 WeakPolarHBondContact OE2-CD 3.42Å; E440-K443 IonicContact OE2-NZ 2.73Å; E440-K443 PolarHBondContact OE2-NZ 2.9Å; E440-K443 VanDerWaalsContact OE2-NZ 3.13Å; E440-K444 VanDerWaalsContact O-CB 3.3Å; E440-K444 WeakPolarHBondContact O-CB 3.5Å; E440-K444 PolarHBondContact O-N 3.33Å
441Y90Very high86.6Confident28 Ų2867 Ų6711%0.1135%0.352CS..Hα-helixtrans-63.1-37.7170.8-59.1-37.9000112.2G34 G36 T53 P55 G57 P437 G438 R445G34-Y441 PolarHBondContact O-OH 3.4Å; G34-Y441 VanDerWaalsContact O-OH 3.06Å; G36-Y441 PolarHBondContact N-OH 2.94Å; T53-Y441 HydrophobicContact CG2-CD2 4.12Å; P55-Y441 HydrophobicContact CB-CD1 4.45Å; P55-Y441 HydrophobicContact CB-CE1 3.96Å; P55-Y441 HydrophobicContact CB-CE2 4.46Å; P55-Y441 HydrophobicContact CG-CE2 4.37Å; G57-Y441 WeakPolarHBondContact CA-O 3.3Å; P437-Y441 HydrophobicContact CB-CD2 4.36Å; P437-Y441 HydrophobicContact CB-CE1 4.34Å; P437-Y441 HydrophobicContact CB-CE2 3.72Å; P437-Y441 HydrophobicContact CG-CE2 4.16Å; P437-Y441 WeakPolarHBondContact O-CD2 3.44Å; P437-Y441 PolarHBondContact O-N 3.38Å; P437-Y441 VanDerWaalsContact O-N 3.08Å; G438-Y441 PolarHBondContact O-N 3.44Å; Y441-R445 PolarHBondContact O-N 3.44Å; Y441-R445 VanDerWaalsContact O-N 3.08Å
442L86.9Confident85.6Confident61 Ų6171.7 Ų71.732%0.31937%0.372SS..Hα-helixtrans-67-49.4176.4-65.2175.6000111.7T53 T59 G438 P439 E440 K444 R445 V446T53-L442 HydrophobicContact CG2-CD2 4.02Å; T53-L442 HydrophobicContact CG2-CG 4.13Å; T59-L442 HydrophobicContact CG2-CD2 3.57Å; G438-L442 PolarHBondContact O-N 3.21Å; P439-L442 PolarHBondContact O-N 3.5Å; E440-L442 VanDerWaalsContact C-N 3.31Å; E440-L442 PolarHBondContact O-N 3.07Å; L442-K444 VanDerWaalsContact C-N 3.31Å; L442-K444 PolarHBondContact O-N 2.64Å; L442-R445 PolarHBondContact O-N 3.26Å; L442-V446 WeakPolarHBondContact O-CG2 3.38Å; L442-V446 PolarHBondContact O-N 3.28Å
443K89.2Confident84.3Confident123 Ų12372 Ų7254%0.53537%0.368SS..Hα-helixtrans-55.3-46.9174.2-70.4170.9-174.9172.10111.5P439 E440 R445 V446 L447P439-K443 WeakPolarHBondContact O-CG 3.33Å; P439-K443 PolarHBondContact O-N 3.29Å; E440-K443 VanDerWaalsContact CD-NZ 3.3Å; E440-K443 WeakPolarHBondContact OE1-CE 3.32Å; E440-K443 IonicContact OE1-NZ 3.32Å; E440-K443 PolarHBondContact OE1-NZ 3.48Å; E440-K443 WeakPolarHBondContact OE2-CD 3.42Å; E440-K443 IonicContact OE2-NZ 2.73Å; E440-K443 PolarHBondContact OE2-NZ 2.9Å; E440-K443 VanDerWaalsContact OE2-NZ 3.13Å; K443-R445 VanDerWaalsContact C-N 3.32Å; K443-R445 PolarHBondContact O-N 2.9Å; K443-V446 PolarHBondContact O-N 3.19Å; K443-L447 WeakPolarHBondContact O-CB 3.46Å; K443-L447 PolarHBondContact O-N 3.05Å
444K87.1Confident82.8Confident132 Ų13274.4 Ų74.457%0.57437%0.367SS*.Hα-helixtrans-61.2-39.2179.8-176.6173.3179.71770112.1E440 L442 L448E440-K444 VanDerWaalsContact O-CB 3.3Å; E440-K444 WeakPolarHBondContact O-CB 3.5Å; E440-K444 PolarHBondContact O-N 3.33Å; L442-K444 VanDerWaalsContact C-N 3.31Å; L442-K444 PolarHBondContact O-N 2.64Å; K444-L448 HydrophobicContact CG-CD1 4.07Å; K444-L448 WeakPolarHBondContact O-CB 3.3Å; K444-L448 VanDerWaalsContact O-CG 3.29Å; K444-L448 WeakPolarHBondContact O-CG 3.29Å; K444-L448 PolarHBondContact O-N 3.16Å
445R86.4Confident81.1Confident57 Ų5781.2 Ų81.222%0.21540%0.399CS..Hα-helixtrans-65-45.8175.5-172-165.664.770.27.5111.8G57 Y441 L442 K443 L447 L448 E449G57-R445 WeakPolarHBondContact O-CD 3.42Å; Y441-R445 PolarHBondContact O-N 3.44Å; Y441-R445 VanDerWaalsContact O-N 3.08Å; L442-R445 PolarHBondContact O-N 3.26Å; K443-R445 VanDerWaalsContact C-N 3.32Å; K443-R445 PolarHBondContact O-N 2.9Å; R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 2.74Å; R445-L448 PolarHBondContact O-N 2.96Å; R445-E449 IonicContact CZ-OE2 3.07Å; R445-E449 IonicContact NH1-OE1 3.13Å; R445-E449 IonicContact NH1-OE2 2.68Å; R445-E449 PolarHBondContact NH1-OE2 2.91Å; R445-E449 IonicContact NH2-OE2 3.53Å; R445-E449 WeakPolarHBondContact O-CB 3.35Å; R445-E449 PolarHBondContact O-N 2.89Å
446V85.6Confident79.1Confident79 Ų7977.7 Ų77.748%0.47939%0.39SS..Hα-helixtrans-63.5-38.8178.6174.50000111.5L442 K443 E449 A450L442-V446 WeakPolarHBondContact O-CG2 3.38Å; L442-V446 PolarHBondContact O-N 3.28Å; K443-V446 PolarHBondContact O-N 3.19Å; V446-E449 PolarHBondContact O-N 3.06Å; V446-A450 WeakPolarHBondContact O-CB 3.39Å; V446-A450 PolarHBondContact O-N 2.68Å
447L86.2Confident76.9Confident116 Ų11681 Ų8161%0.60742%0.416SS*.Hα-helixtrans-65.8-41.8175.3-170.1155.5000111.9K443 R445 A450 V451K443-L447 WeakPolarHBondContact O-CB 3.46Å; K443-L447 PolarHBondContact O-N 3.05Å; R445-L447 VanDerWaalsContact C-N 3.32Å; R445-L447 PolarHBondContact O-N 2.74Å; L447-A450 PolarHBondContact O-N 2.83Å; L447-V451 HydrophobicContact CD2-CG2 4.31Å; L447-V451 WeakPolarHBondContact O-CG2 3.29Å; L447-V451 PolarHBondContact O-N 3.27Å; L447-V451 VanDerWaalsContact O-N 3.13Å
448L83.1Confident74.6Confident83 Ų8387.7 Ų87.744%0.43545%0.451SS..Hα-helixtrans-64.8-44.7175.5-74.1167000112K444 R445 A450 V451 E452K444-L448 HydrophobicContact CG-CD1 4.07Å; K444-L448 WeakPolarHBondContact O-CB 3.3Å; K444-L448 VanDerWaalsContact O-CG 3.29Å; K444-L448 WeakPolarHBondContact O-CG 3.29Å; K444-L448 PolarHBondContact O-N 3.16Å; R445-L448 PolarHBondContact O-N 2.96Å; L448-A450 VanDerWaalsContact C-N 3.33Å; L448-A450 PolarHBondContact O-N 3.01Å; L448-V451 PolarHBondContact O-N 2.96Å; L448-V451 VanDerWaalsContact O-N 3.12Å; L448-E452 WeakPolarHBondContact O-CG 3.48Å; L448-E452 PolarHBondContact O-N 2.94Å
449E81.1Confident72.5Confident38 Ų3893.4 Ų93.418%0.17849%0.486CS..Hα-helixtrans-60.1-43.2177.3-167.4161.1-125.700110.8H79 R445 V446 V451 E452 D453H79-E449 IonicContact CE1-OE1 2.67Å; H79-E449 IonicContact ND1-OE1 3.8Å; H79-E449 PolarHBondContact ND1-OE1 2.93Å; R445-E449 IonicContact CZ-OE2 3.07Å; R445-E449 IonicContact NH1-OE1 3.13Å; R445-E449 IonicContact NH1-OE2 2.68Å; R445-E449 PolarHBondContact NH1-OE2 2.91Å; R445-E449 IonicContact NH2-OE2 3.53Å; R445-E449 WeakPolarHBondContact O-CB 3.35Å; R445-E449 PolarHBondContact O-N 2.89Å; V446-E449 PolarHBondContact O-N 3.06Å; E449-V451 VanDerWaalsContact C-N 3.31Å; E449-V451 PolarHBondContact O-N 3.22Å; E449-E452 PolarHBondContact O-N 3.21Å; E449-D453 PolarHBondContact O-N 2.86Å
450A81Confident69.9Low50 Ų50100.4 Ų100.441%0.41352%0.515SS..Hα-helixtrans-67-24.8175.400000114.7V446 L447 L448 Q454V446-A450 WeakPolarHBondContact O-CB 3.39Å; V446-A450 PolarHBondContact O-N 2.68Å; L447-A450 PolarHBondContact O-N 2.83Å; L448-A450 VanDerWaalsContact C-N 3.33Å; L448-A450 PolarHBondContact O-N 3.01Å; A450-Q454 WeakPolarHBondContact O-CG 3.41Å; A450-Q454 PolarHBondContact O-N 2.87Å
451V80.2Confident67.4Low61 Ų61105 Ų10537%0.3754%0.539SS..Hα-helixtrans-80.8-41.2172.5171.10000110.6L447 L448 E449 D453 Q454 E455L447-V451 HydrophobicContact CD2-CG2 4.31Å; L447-V451 WeakPolarHBondContact O-CG2 3.29Å; L447-V451 PolarHBondContact O-N 3.27Å; L447-V451 VanDerWaalsContact O-N 3.13Å; L448-V451 PolarHBondContact O-N 2.96Å; L448-V451 VanDerWaalsContact O-N 3.12Å; E449-V451 VanDerWaalsContact C-N 3.31Å; E449-V451 PolarHBondContact O-N 3.22Å; V451-D453 VanDerWaalsContact C-N 3.26Å; V451-D453 PolarHBondContact O-N 2.76Å; V451-Q454 PolarHBondContact O-N 2.8Å; V451-Q454 VanDerWaalsContact O-N 3.11Å; V451-E455 HydrophobicContact CG1-CG 4.34Å; V451-E455 PolarHBondContact O-N 3.46Å
452E71.5Confident64.7Low113 Ų113112.2 Ų112.253%0.52857%0.573SS.*Hα-helixtrans-60-36.2174-71.9173.9173.100111.6H79 L448 E449H79-E452 IonicContact CE1-OE2 2.67Å; L448-E452 WeakPolarHBondContact O-CG 3.48Å; L448-E452 PolarHBondContact O-N 2.94Å; E449-E452 PolarHBondContact O-N 3.21Å
453D64.1Low62.3Low116 Ų116117.6 Ų117.662%0.6260%0.597SS**Hα-helixtrans-70.1-35.8172.7-71.9-30.1000112.8E449 V451E449-D453 PolarHBondContact O-N 2.86Å; V451-D453 VanDerWaalsContact C-N 3.26Å; V451-D453 PolarHBondContact O-N 2.76Å
454Q56.7Low59.9Low162 Ų162117.5 Ų117.576%0.75761%0.609SS**Hα-helixtrans-79.5-27.9179.3-78.9-169.2-12.300114.3A450 V451 N456A450-Q454 WeakPolarHBondContact O-CG 3.41Å; A450-Q454 PolarHBondContact O-N 2.87Å; V451-Q454 PolarHBondContact O-N 2.8Å; V451-Q454 VanDerWaalsContact O-N 3.11Å; Q454-N456 PolarHBondContact O-N 3.13Å
455E52Low57.1Low163 Ų163119 Ų11976%0.76262%0.622SS**THydrogen-bonded Turntrans-75.41.9173-69.8-170.4165.200113.1V451 P457V451-E455 HydrophobicContact CG1-CG 4.34Å; V451-E455 PolarHBondContact O-N 3.46Å; E455-P457 VanDerWaalsContact O-CD 3.32Å; E455-P457 WeakPolarHBondContact O-CD 3.18Å
456N42.4Very low54.4Low80 Ų80124.9 Ų124.943%0.42866%0.657SS.*  trans-118.758.5178.3-168.987.3000113Q454 D458Q454-N456 PolarHBondContact O-N 3.13Å; N456-D458 PolarHBondContact O-N 2.93Å
457P42.3Very low51.8Low111 Ų111125.2 Ų125.272%0.72167%0.668SS**  trans-7830-168.935.5-40.4000116E455 T459E455-P457 VanDerWaalsContact O-CD 3.32Å; E455-P457 WeakPolarHBondContact O-CD 3.18Å; P457-T459 VanDerWaalsContact C-N 3.33Å; P457-T459 PolarHBondContact O-N 2.88Å
458D38.5Very low49.3Very low141 Ų141128 Ų12875%0.75468%0.678SS**  trans-93.842.1175.3-82.7-25.8000111.7N456N456-D458 PolarHBondContact O-N 2.93Å
459T42.5Very low47Very low120 Ų120132.7 Ų132.774%0.73670%0.698SS**  trans-147.351.2179.7-48.30000113.5P457P457-T459 VanDerWaalsContact C-N 3.33Å; P457-T459 PolarHBondContact O-N 2.88Å
460E33.1Very low44.7Very low191 Ų191138.3 Ų138.389%0.89372%0.724SS**  trans-116.3109.8152.9-72.3-166.2148.600109
461M36.1Very low42.8Very low181 Ų181141.2 Ų141.289%0.89274%0.739SS**PPolyproline II helixtrans-91.2120.6174.3-88-65.6-58.500109.6E463M461-E463 PolarHBondContact O-N 3.12Å
462H33.4Very low40.5Very low178 Ų178144.8 Ų144.882%0.82476%0.755SS**PPolyproline II helixtrans-48.4129.3176.8-100.8-87.5000113.6
463E35.8Very low38.7Very low175 Ų175147 Ų14782%0.81877%0.77SS**PPolyproline II helixtrans-78.5136.6154-167.7166.6-159.600108.9M461M461-E463 PolarHBondContact O-N 3.12Å
464P38.3Very low37.2Very low120 Ų120145.3 Ų145.378%0.77977%0.771SS**PPolyproline II helixtrans-83.6133.5-172.431.7-34.1000112.8
465L29.3Very low36Very low165 Ų165144.8 Ų144.886%0.86477%0.774SS**PPolyproline II helixtrans-68.1136.4174.3-63169.9000112
466L28.8Very low35.2Very low180 Ų180146.4 Ų146.494%0.94278%0.781SS**  trans-128134.1143.3-73.3177.9000107.3
467A31.5Very low34.9Very low86 Ų86151.6 Ų151.671%0.71180%0.803SS**  trans-132.1131.6-178.400000109
468E33.6Very low34.9Very low173 Ų173151.7 Ų151.781%0.80880%0.804SS**  trans-143123.5166.1-69-61.3170.800109.6
469E33.8Very low34.6Very low183 Ų183152.7 Ų152.786%0.85581%0.808SS**  trans51.5110.3152.4-49.4-160.912900122.7
470E34Very low34.6Very low155 Ų155152.6 Ų152.672%0.72481%0.81SS**  trans-64.5153.3152.6-103.6-94.1158.300111.5L472E470-L472 PolarHBondContact OE2-N 2.93Å
471P41.5Very low34.9Very low112 Ų112149.8 Ų149.873%0.72781%0.806SS**  -152.9132.188.836.2-15.8000119
472L32.2Very low35.2Very low135 Ų135146.9 Ų146.971%0.70780%0.8SS**  trans58.3117.4132.3-53.3175.5000121.1E470E470-L472 PolarHBondContact OE2-N 2.93Å
473L31.8Very low35.6Very low161 Ų161144.7 Ų144.784%0.84380%0.802SS**  172.4137.295.4-88.7-178.2000113.1
474A34Very low35.4Very low79 Ų79145 Ų14565%0.65380%0.803SS**  trans41.8137147.100000121.2
475D31.6Very low35.4Very low152 Ų152144.5 Ų144.581%0.81380%0.803SS**  cis-159.4168.233.1-99.9-40.3000114.7
476E34.7Very low36.2Very low196 Ų196142.7 Ų142.792%0.91680%0.801SS**  trans73151.2164.5-58.6-132.7113.700121.9
477E36.4Very low36.5Very low190 Ų190141.7 Ų141.789%0.88880%0.795SS**  trans-112.4159.3-162.3-64-171.8119.100116
478P42.6Very low36.4Very low112 Ų112145.6 Ų145.673%0.72780%0.803SS**  trans-106.1-160.9169.140.6-32.9000113.9
479L31Very low36.5Very low162 Ų162143.6 Ų143.685%0.84880%0.797SS**  trans94165.9173-55177.6000116.6
480P43.9Very low36.3Very low119 Ų119144 Ų14477%0.77380%0.799SS**  cis-128.3179.5-6.123.20.9000116.1
481T38.6Very low36.1Very low131 Ų131144 Ų14480%0.80480%0.804SS**  trans-85.7162.4165.4470000113.3
482P42Very low35.5Very low121 Ų121142.6 Ų142.679%0.78680%0.801SS**  trans-93.3159.8172.936.2-34.1000114.3
483P42Very low35.4Very low131 Ų131141.3 Ų141.385%0.85180%0.804SS**  trans-107.9-177.3-169.942.2-37.3000116.5
484E31.8Very low35.4Very low182 Ų182141.3 Ų141.385%0.8580%0.804SS**  trans-97.4173-179.6-83.4-164.2125.900116.2
485S38.8Very low35.3Very low110 Ų110145 Ų14577%0.76981%0.809SS**  trans77.5159.8161.5-71.10000117.6
486P45.7Very low36Very low126 Ų126143.7 Ų143.782%0.81881%0.809SS**  cis-131.5-166.81343.9-27000116.4
487I34.5Very low35.6Very low160 Ų160137.5 Ų137.582%0.82180%0.798SS**  trans-108.2143.5-177.6-61.4164.1000111.3
488L30.8Very low35.3Very low168 Ų168134.3 Ų134.388%0.8880%0.797SS**  trans-160.6178143-115.3174000113.2
489N34.6Very low34.8Very low130 Ų130134.3 Ų134.370%0.69580%0.799SS**  trans-148.8138.5-155.2161.786.8000112.2
490E29Very low35.8Very low191 Ų191132.4 Ų132.489%0.89380%0.797SS**  trans-152.2174163.5-139175-156.500113.3
491L31.5Very low35.1Very low157 Ų157131 Ų13182%0.82280%0.795SS**  trans-140.1155.1-152.3-160.689.5000114
492A28.1Very low34.6Very low81 Ų81134.1 Ų134.167%0.66980%0.801SS**  trans93.9153.3148.700000121.1
493S30.4Very low34.1Very low109 Ų109134.5 Ų134.576%0.76280%0.801SS**  trans74.5138.7158.3-62.40000118.4
494L31.2Very low34.1Very low160 Ų160134.1 Ų134.184%0.83880%0.798SS**  cis-155.1156.22.8-119165.4000112.2
495M32.5Very low34.1Very low157 Ų157130.7 Ų130.777%0.77379%0.794SS**  trans-95.1161.6165.7-79.5-76.6-7400110.9
496P45.9Very low34.5Very low125 Ų125131.4 Ų131.481%0.81280%0.796SS**  -135.5139.3113.535.3-24.6000111.4
497G27.3Very low33.9Very low66 Ų66130.7 Ų130.768%0.6879%0.794SS**  98.1142.574.300000109.8
498S28.5Very low34.8Very low123 Ų123129 Ų12986%0.8679%0.794SS**  cis-159.9163.9-3.653.10000111.1
499S33Very low34.6Very low111 Ų111125.2 Ų125.278%0.77679%0.787SS**  trans-71.5-167.4179.1-37.50000113.7
500P52Low34.3Very low123 Ų123126.5 Ų126.580%0.79979%0.792SS**  cis-146.1172.95.344-24.6000119.4
501A28.3Very low34.3Very low90 Ų90124.6 Ų124.674%0.74479%0.787SS**  trans173.3107.3141.700000110.9
502Q29.4Very low34.1Very low196 Ų196123.4 Ų123.492%0.91678%0.781SS**  90.2136.396.6-82.1-165.93.200117.7
503T31.6Very low34.1Very low129 Ų129127.4 Ų127.479%0.79178%0.783SS**  trans-120.5166.5171.260.60000108
504P40.4Very low34.1Very low123 Ų123129.4 Ų129.480%0.79978%0.78SS**  -158.6-171.870.442.6-19.7000117.4
505S33.1Very low34.4Very low109 Ų109129.2 Ų129.276%0.76278%0.78SS**  trans-80.8170162-33.30000111.5
506P45.5Very low34.9Very low125 Ų125127.1 Ų127.181%0.81278%0.779SS**  -159.1-162.470.343.9-21000117
507S33.4Very low34.1Very low111 Ų111130 Ų13078%0.77678%0.778SS**  trans-108.9-168.9165.1-40.40000110.2
508P53.8Low34.1Very low125 Ų125134.1 Ų134.181%0.81278%0.784SS**  cis-137.1-179.1-1343.5-26.5000115.7
509A26.8Very low34.2Very low89 Ų89136.1 Ų136.174%0.73678%0.784SS**  trans163.2127.1151.600000110.2
510I29Very low34Very low156 Ų156134.1 Ų134.180%0.878%0.781SS**  85.4143.463.6-67169.8000114.1
511I28.3Very low33.5Very low152 Ų152134 Ų13478%0.77978%0.78SS**  trans103.4132.8-177.8-61.7169.8000113.5
512N26.9Very low33.4Very low131 Ų131139.9 Ų139.970%0.70178%0.783SS**  cis-171.5167.9-26.6-102.9-24.3000109.8
513K29.3Very low33.3Very low165 Ų165133.6 Ų133.672%0.71777%0.771SS**  trans67.8155.9164.7-70165.5157-81.70116.2
514E30Very low33.2Very low151 Ų151137.5 Ų137.571%0.70677%0.771SS**  cis-154.5159-11.5-122.9153.6179.700111
515D37.8Very low32.7Very low157 Ų157137.1 Ų137.184%0.8476%0.763SS**  trans-126.9125.9178.8-1485.4000108.9
516P42.9Very low32.6Very low113 Ų113139.5 Ų139.573%0.73476%0.762SS**  trans-144.2110.2151.333.1-14.6000116.2
517K28.6Very low31.9Very low184 Ų184139.1 Ų139.180%0.875%0.753SS**  52.2130.2114.5-96.6179.2179.5174.30121.9
518L28.1Very low31.9Very low153 Ų153142.2 Ų142.280%0.80175%0.752SS**  trans77.6143.1152.2-52.4162.8000115.4
519L30.8Very low30.9Very low166 Ų166141.6 Ų141.687%0.86975%0.751SS**  cis-141.5175.225.1-73.7165.4000113.2
520G26.9Very low31.1Very low69 Ų69141.9 Ų141.971%0.71175%0.753SS**  trans-89.5-158171.700000114.3
521P41.5Very low31.2Very low119 Ų119144.8 Ų144.877%0.77376%0.76SS**  cis-145.5175.633.643.8-25.3000118.7
522R26.4Very low31.1Very low215 Ų215141.4 Ų141.481%0.81176%0.762SS**  trans49.2139.1149.1-75.8175.5168-120.4-0.4121.6
523G28.7Very low31.2Very low64 Ų64138.8 Ų138.866%0.6677%0.766SS**  cis157.8169-7.300000114.8
524W28.6Very low31.2Very low211 Ų211136.5 Ų136.580%0.79977%0.771SS**  trans63.9142.7172-65.9-28.7000116.7
525N30.7Very low31.3Very low115 Ų115135 Ų13562%0.61577%0.772SS**  cis-162.7174-8.6-114.69.4000108.4
526E30.2Very low31Very low159 Ų159137.1 Ų137.174%0.74377%0.774SS**  cis-153-165.75.6-142.4163.6114.600112.9
527D32Very low30.3Very low116 Ų116135.8 Ų135.862%0.6278%0.781SS**  trans-62.7177.4170.7-97.3-20000116.2
528K32.8Very low30.2Very low176 Ų176130.6 Ų130.677%0.76578%0.779SS**  cis-154.5168.416.7-133.6161.6-158.286.70113.5
529S31.9Very low30.3Very low113 Ų113132.2 Ų132.279%0.7979%0.788SS**  trans-98.6163.1-173.4-38.20000115.8
530A31.2Very low30.1Very low95 Ų95133.7 Ų133.779%0.78579%0.787SS**  -178.5129.5127.700000117.7
531K31.3Very low31.3Very low217 Ų217135.3 Ų135.394%0.94379%0.785SS**  trans18.8144.3142.6-60.3177.6176.9177.90123.5
532G26.6Very low30.6Very low80 Ų80134.8 Ų134.883%0.82579%0.785SS**  143.5105.4124.700000118.6
533G28.5Very low30.8Very low76 Ų76130 Ų13078%0.78478%0.784SS**  trans-89.7-164.4-175.300000118.9
534S30.2Very low30.9Very low117 Ų117131.2 Ų131.282%0.81879%0.788SS**  trans73.4154.1168-66.20000117.5
535T30.7Very low31.9Very low119 Ų119127.6 Ų127.673%0.7379%0.791SS**  cis-161.6159.8-7.813.30000112.9
536K32.1Very low31.8Very low203 Ų203126 Ų12688%0.88380%0.802SS**  trans35.4120.5147.8-66.8179.8176.91790122.2
537G28.3Very low31.9Very low85 Ų85123.9 Ų123.988%0.87681%0.805SS**  100.1151.7107.400000121
538G26.4Very low31.7Very low74 Ų74130.4 Ų130.476%0.76382%0.821SS**  trans124.2100.2147.300000120.8
539L30.3Very low31.9Very low187 Ų187126.2 Ų126.298%0.97982%0.818SS**  trans72.6169.2133.8-62.2174.3000123.2
540K27.1Very low31.7Very low198 Ų198127.8 Ų127.886%0.86182%0.824SS**  trans-122-174.7-171-123.5179-175.9177.70106.8
541P51.2Low31.8Very low103 Ų103129.2 Ų129.267%0.66982%0.823SS**  cis-136.2-154.2-14.439.7-19000112.6
542S27.5Very low32.6Very low108 Ų108124 Ų12476%0.75581%0.811SS**  trans67.8154.7157.653.80000118.8
543S30.4Very low32.9Very low113 Ų113125.3 Ų125.379%0.7981%0.807SS**  cis-156.2170.1-14.839.90000110.7
544A31.9Very low33.2Very low90 Ų90128.1 Ų128.174%0.74481%0.809SS**  trans-76.1-177.3167.400000111.1
545P49.8Very low33.1Very low135 Ų135128.5 Ų128.588%0.87781%0.812SS**  cis-135.6-156.61.944-25.3000113.1
546G28Very low33.2Very low81 Ų81127.8 Ų127.884%0.83582%0.818SS**  trans132.5120152.200000116.2
547S32.2Very low33.1Very low115 Ų115123.2 Ų123.280%0.80482%0.818SS**  trans-97161.6-175.757.70000115.2
548R28.5Very low33.3Very low254 Ų254123.7 Ų123.796%0.95881%0.814SS**  trans96.5153.6150.7-153170.3-173.8161.71.7116.5
549A35.6Very low34.8Very low87 Ų87125.8 Ų125.872%0.71981%0.814SS**  trans-125.9150.7-164.200000113.5
550T28.6Very low35.1Very low146 Ų146121.5 Ų121.590%0.89681%0.806SS**  trans-160.5147.1157.713.90000112.2
551T33.1Very low35.5Very low125 Ų125117.7 Ų117.777%0.76780%0.804SS**  trans-67.8166161.947.10000111.4
552P48Very low34.5Very low109 Ų109117.5 Ų117.571%0.70881%0.811SS**  -160.3175.455.242.8-19.8000121.3
553S31.8Very low35.1Very low106 Ų106116.8 Ų116.874%0.74181%0.812SS**  trans64.1159.3144.363.50000121.8
554V35.2Very low36.5Very low135 Ų135116.9 Ų116.982%0.81881%0.809SS**  cis-164.4149.2-25.5139.80000106.6
555S28.1Very low36.6Very low126 Ų126120.8 Ų120.888%0.88181%0.812SS**  trans-163.7164.5159.4-83.40000111.7
556A33.6Very low35.7Very low104 Ų104123 Ų12386%0.8681%0.811SS**  trans-149159-16700000114.8
557A28.8Very low35.8Very low106 Ų106122.5 Ų122.588%0.87681%0.806SS**  trans-170.7168.4159.500000112.7
558A33.6Very low35.7Very low95 Ų95121.7 Ų121.779%0.78581%0.806SS**  trans-139.4-167.5175.200000108.4
559P57.5Low35.7Very low119 Ų119114.2 Ų114.277%0.77380%0.798SS**  cis-141.3-171.79.144.2-24.2000117.5
560A36.2Very low35.5Very low97 Ų97114.8 Ų114.880%0.80280%0.797SS**  trans70.7161.3166.500000117.4
561S35.5Very low35.5Very low118 Ų118113.2 Ų113.283%0.82579%0.792SS**  cis-163.4-172.5-21.753.90000107.7
562A31.2Very low35.4Very low99 Ų99112.3 Ų112.382%0.81879%0.791SS**  cis-147.3-122.37.700000112.9
563A39.5Very low34.5Very low93 Ų93118.5 Ų118.577%0.76980%0.8SS**  trans-158.2177.8-169.800000111.1
564P58.9Low34.2Very low114 Ų114121.5 Ų121.574%0.7480%0.803SS**  cis-140.81731144.8-26.8000118.9
565E35.8Very low34.8Very low172 Ų172119.9 Ų119.980%0.80480%0.795SS**  trans43141158.1-60.8-55.6127.500121.6
566E30.6Very low34.8Very low182 Ų182118.2 Ų118.285%0.8578%0.783SS**  cis-106.2-143.66-50.5-177-176.300111.9
567G29.7Very low34.5Very low70 Ų70124.4 Ų124.472%0.72278%0.784SS**  cis-178-164.2700000116
568A29.6Very low34.4Very low99 Ų99124.4 Ų124.482%0.81878%0.778SS**  trans-103.8134.4-151.400000118.4
569A29.8Very low34.3Very low96 Ų96128 Ų12879%0.79378%0.783SS**  trans64.3147.3140.200000121.4
570S29.6Very low32.9Very low99 Ų99128.2 Ų128.269%0.69279%0.787SS**  cis-171.8147.1-1852.50000112.2
571S30.2Very low32.6Very low114 Ų114134.1 Ų134.180%0.79779%0.789SS**  trans67.3151.7158.177.70000118.4
572S30.6Very low32.3Very low105 Ų105135.7 Ų135.773%0.73479%0.787SS**  cis-161.2144-15.144.40000113.6
573R29Very low32.3Very low240 Ų240134.7 Ų134.791%0.90677%0.774SS**  trans34.6104.7142.5-75.2-176.7172.6173.1-2.5121.4
574Q25.9Very low31.7Very low169 Ų169137.3 Ų137.379%0.7978%0.775SS**  -16.5164.3117-73.2-76.7-20.700117.4
575P47.1Very low30.3Very low101 Ų101139.7 Ų139.766%0.65677%0.774SS**  cis-146.2179.76.134-9.5000118.7
576S27.5Very low30Very low90 Ų90137.7 Ų137.763%0.62977%0.767SS**  trans61.3125.2134.967.20000126.8
577R27.9Very low30.2Very low235 Ų235136.2 Ų136.289%0.88776%0.76SS**  80.7130.5123.1-74.3-179.3171.5179.7-2.4124.7
578S27Very low30.1Very low106 Ų106141.7 Ų141.774%0.74177%0.767SS**  trans81.1105.5134.756.90000124.9
579L31.3Very low30.1Very low170 Ų170140.7 Ų140.789%0.8977%0.767SS**  46.3114.2125.6-68.7170.5000122.6
580S27.7Very low30.2Very low123 Ų123142.2 Ų142.286%0.8677%0.771SS**  trans169.6169.3136.841.80000111.5
581R29.7Very low30.2Very low222 Ų222144.6 Ų144.684%0.83878%0.776SS**  cis-176.1126.6-38.9-175.8-172.6-164.2-165.67.8109.6
582L29.7Very low30.4Very low150 Ų150146.9 Ų146.979%0.78578%0.779SS**  trans65.6161170.3-67.2159.6000115.9
583S31.2Very low30.4Very low79 Ų79150 Ų15055%0.55278%0.782SS**  cis-172.7169-17.650.30000111.7
584N27.5Very low30.9Very low147 Ų147146.5 Ų146.579%0.78678%0.779SS**  trans82.2153.9161.4-59.1-31.7000118.9
585K28.3Very low31.5Very low165 Ų165146.5 Ų146.572%0.71778%0.777SS**  cis179.2122.8-21.2166.7170.5176.8-167.40112.3
586I31.2Very low31Very low130 Ų130147.5 Ų147.567%0.66778%0.783SS**  trans64.9148.5149.1-78.6175.1000117.8
587E33.3Very low31.1Very low150 Ų150151.6 Ų151.670%0.70180%0.797SS**  cis-163.6-173.2-4.2-125.2169.4-13800112.1
588Q28.5Very low31.3Very low185 Ų185149 Ų14986%0.86480%0.795SS**  trans77136.9166.2-48.7-169.4-10.500117.2
589G29Very low31.5Very low79 Ų79152.2 Ų152.281%0.81480%0.796SS**  cis159124-10.500000113.3
590S31.6Very low31.4Very low127 Ų127153.4 Ų153.489%0.88879%0.794SS**  trans-148.8123.4169.159.40000110.2
591D29.1Very low31.7Very low149 Ų149154.1 Ų154.180%0.79779%0.788SS**  trans-105.4137.6-172.3-164.54.1000110.7
592L35.8Very low31.8Very low162 Ų162147.9 Ų147.985%0.84878%0.778SS**  trans-148.7110.2175.1-78.2-178.6000109.8I594L592-I594 PolarHBondContact O-N 3.3Å
593E30.1Very low31.8Very low171 Ų171148.5 Ų148.580%0.79978%0.777SS**  trans-63.4129178.8-58.7178.911000112.2
594I39.9Very low31.8Very low166 Ų166150.9 Ų150.985%0.85179%0.789SS**  trans-103.9108.6165-59.5179000108.1L592L592-I594 PolarHBondContact O-N 3.3Å
595K37.8Very low31.8Very low169 Ų169151.4 Ų151.474%0.73578%0.784SS**PPolyproline II helixtrans-69.1143.7176.2-69.2176.8179.7173.90110.6L597K595-L597 PolarHBondContact O-N 2.67Å
596P36.3Very low32.1Very low123 Ų123149.5 Ų149.580%0.79979%0.788SS**PPolyproline II helixtrans-64.7134.7174.227.9-34.1000110.5Q598P596-Q598 PolarHBondContact O-N 3.27Å
597L31.3Very low32.1Very low175 Ų175147.7 Ų147.792%0.91679%0.793SS**PPolyproline II helixtrans-64.2130.7175.2-79.6161.2000110.4K595K595-L597 PolarHBondContact O-N 2.67Å
598Q31.6Very low31.9Very low181 Ų181148.4 Ų148.485%0.84680%0.801SS**PPolyproline II helixtrans-68.4144171.9-68.7175.1-9300110P596P596-Q598 PolarHBondContact O-N 3.27Å
599K30Very low32.1Very low174 Ų174146.1 Ų146.176%0.75780%0.8SS**PPolyproline II helixtrans-64.7134.3163.6-65.9-179.7175.3-173.90109.1
600F29.8Very low32.3Very low195 Ų195148.2 Ų148.286%0.85580%0.799SS**  trans-90.193.1156.8-99.6-90.6000108S602F600-S602 PolarHBondContact O-N 3.13Å
601D33.9Very low32Very low137 Ų137149.5 Ų149.573%0.73380%0.795SS**  trans-80.9103.7162.4-65.1-54.3000107
602S31.8Very low32Very low91 Ų91148.5 Ų148.564%0.63679%0.794SS**  trans-105.189.5178.9-68.50000110F600 V604F600-S602 PolarHBondContact O-N 3.13Å; S602-V604 PolarHBondContact O-N 2.67Å; S602-V604 VanDerWaalsContact O-N 3.12Å
603E29Very low31.6Very low163 Ų163146.4 Ų146.476%0.76279%0.788SS**  trans-65.4103.8174.8-174.9-173.314600110.5K605E603-K605 WeakPolarHBondContact OE1-CE 3.4Å
604V31.6Very low31.5Very low130 Ų130145.8 Ų145.879%0.78879%0.79SS**  trans-97.3103.7170.1-179.80000108.5S602S602-V604 PolarHBondContact O-N 2.67Å; S602-V604 VanDerWaalsContact O-N 3.12Å
605K29.1Very low31Very low157 Ų157142.2 Ų142.268%0.68379%0.785SS**  trans-69.9139.7164.5-73.5-176.9179.2176.40109.6E603E603-K605 WeakPolarHBondContact OE1-CE 3.4Å
606P33Very low31.5Very low125 Ų125139.3 Ų139.381%0.81278%0.784SS**  trans-64.7147.9167.730.1-34.1000109.8
607A30.9Very low31Very low92 Ų92141.7 Ų141.776%0.7678%0.784SS**  trans-117.7143.216900000108.6
608D30.2Very low30.9Very low166 Ų166140.3 Ų140.389%0.88878%0.775SS**  trans-71.8135.6-165.3-49.5-88.7000113.4
609V32.4Very low30.8Very low136 Ų136137.7 Ų137.782%0.82477%0.767SS**  trans-133.1120.8159.3-176.10000106.5L611V609-L611 PolarHBondContact O-N 3.13Å
610P32.6Very low30.7Very low123 Ų123134.1 Ų134.180%0.79976%0.764SS**  trans-75.3129.3-172.229.3-34.1000111.3
611L25.4Very low30.7Very low155 Ų155132.3 Ų132.381%0.81276%0.762SS**  trans-111.6121.7160-156.479.8000107.3V609V609-L611 PolarHBondContact O-N 3.13Å
612V28.7Very low30.4Very low127 Ų127133.5 Ų133.577%0.7777%0.767SS**  trans-77.1127.7174.9177.40000108.5
613T27.3Very low30.2Very low119 Ų119134.1 Ų134.173%0.7377%0.771SS**  trans-122118.2168.354.40000108.2
614D29.7Very low31.4Very low158 Ų158131.3 Ų131.385%0.84577%0.767SS**  trans-131.5144.2168.3-93.1-43.9000110.3
615A29.8Very low31.4Very low90 Ų90131.6 Ų131.674%0.74476%0.764SS**  trans-162.7157.1175.100000106.3
616P47.1Very low31.7Very low108 Ų108132.2 Ų132.270%0.70177%0.769SS**  cis-141-161.823.442.1-22000115.2
617E26.8Very low31.9Very low174 Ų174134.7 Ų134.781%0.81377%0.77SS**  trans93.7135.5145.6-90.2174.4-143.900123
618M28.3Very low32.1Very low146 Ų146139.6 Ų139.672%0.71978%0.777SS**  trans76.6111.1151.5-64.5-70.5-94.100122.7
619N28.6Very low32.1Very low126 Ų126141 Ų14167%0.67478%0.778SS**  trans65.6114.7132.9-67.3-4.2000123.7
620S28.3Very low32.2Very low99 Ų99138.4 Ų138.469%0.69277%0.772SS**  63.7119.4128.569.10000123.2
621L29.2Very low33.2Very low156 Ų156137.6 Ų137.682%0.81777%0.766SS**  trans72.8139.1132.9-74.4170.2000122
622I28.3Very low33.3Very low163 Ų163138.1 Ų138.184%0.83677%0.769SS**  trans79.9150.2155.3-63.9155.6000117.5
623S27.5Very low34.7Very low104 Ų104137.6 Ų137.673%0.72777%0.768SS**  trans-150.5171.6-179.952.90000108.1
624P54.8Low34.7Very low103 Ų103136.6 Ų136.667%0.66977%0.772SS**  cis-128.2-128.44.433.6-8.9000112.7
625D31Very low34.7Very low137 Ų137133.3 Ų133.373%0.73377%0.767SS**  trans76.2144.9170.5-47.8-16.3000117.4
626E36.6Very low34.5Very low169 Ų169134 Ų13479%0.7977%0.766SS**  cis-162166.3-33.2-133.9175.2-172.200109.2
627E35.6Very low34Very low178 Ų178135.6 Ų135.683%0.83277%0.774SS**  trans51.2124.2169-56.6-175148.800119.2
628E35.5Very low35.6Very low195 Ų195132.6 Ų132.691%0.91177%0.769SS**  63.1103.865.4-167.2165.5-117.100117.4
629E29.6Very low36.7Very low194 Ų194130.9 Ų130.991%0.90777%0.769SS**  175.6174.9129.1-165.9160.6-148.800110.5
630A35.1Very low36.8Very low83 Ų83134.7 Ų134.769%0.68678%0.779SS**  trans-139.3-152.9177.600000110.1
631P54.7Low36.9Very low105 Ų105133.9 Ų133.968%0.68278%0.779SS**  cis-133.2152.7-33.635.1-17.8000115.6
632L27.2Very low37Very low166 Ų166133.3 Ų133.387%0.86978%0.782SS**  trans61.8-177149.5-67.2171.9000118.5
633P57.4Low37Very low116 Ų116131.6 Ų131.675%0.75378%0.779SS**  cis-128.6-160.9-27.824.6-0.4000113.7
634A27.6Very low38Very low99 Ų99132.4 Ų132.482%0.81878%0.782SS**  trans86.5147.3156.900000119.2
635A29.8Very low37Very low89 Ų89135.7 Ų135.774%0.73679%0.788SS**  cis-166.3173.5-15.600000114.4
636S26.1Very low38.3Very low104 Ų104133.5 Ų133.573%0.72778%0.781SS**  trans81.793.8141.763.30000126
637V35.4Very low37.8Very low142 Ų142134.5 Ų134.586%0.86178%0.783SS**  55.7-177.7122.4-118.80000121.9
638P60.5Low37.6Very low111 Ų111130.4 Ų130.472%0.72178%0.78SS**  trans-124.8-165.7-130.144-22.7000115.2
639P51.7Low38.7Very low109 Ų109126.6 Ų126.671%0.70877%0.772SS**  -154.2163.993.340.5-22.4000118
640K30.8Very low38.8Very low206 Ų206126.2 Ų126.290%0.89677%0.77SS**  trans38.6154.4142.6-65172.7-179.8175.10122.1
641A30.7Very low38.6Very low83 Ų83127.1 Ų127.169%0.68677%0.767SS**  cis173.5176.4-22.800000108.4
642V30.7Very low37.4Very low143 Ų143131.1 Ų131.187%0.86777%0.774SS**  trans95.7125.8160.6-173.90000118.4
643T29.5Very low37.4Very low128 Ų128128.5 Ų128.579%0.78577%0.765SS**  trans-87.2-174.6176.1120000111.8
644P48Very low36.1Very low120 Ų120130.2 Ų130.278%0.77976%0.763SS**  cis-145-177.322.844.4-23.2000118.9
645E32.8Very low36Very low172 Ų172135.8 Ų135.880%0.80476%0.762SS**  trans-79.6-169.8158.8-122.2-160.1142.200111.1
646P58Low36.5Very low91 Ų91135.4 Ų135.459%0.59176%0.76SS**  cis-141.1-177.4-5.834-10.6000117.7
647K28.1Very low38Very low190 Ų190136 Ų13683%0.82676%0.761SS**  trans63116.6145.8-79.1166.7-179.11760124
648A31.3Very low37.8Very low92 Ų92134.7 Ų134.776%0.7676%0.758SS**  47165.4113.300000123.4
649P57.3Low36.6Very low116 Ų116134.9 Ų134.975%0.75376%0.757SS**  cis-142.6166.7-42.341.3-24000117.4
650E31.4Very low35.6Very low185 Ų185137.7 Ų137.786%0.86476%0.76SS**  trans68.3148.8144.5-144176.1-134.400125.3
651V32Very low35.5Very low102 Ų102134.2 Ų134.262%0.61875%0.747SS**  trans106.4112151.7-171.70000122.8
652K29.9Very low35.4Very low189 Ų189139.6 Ų139.682%0.82275%0.75SS**  trans65.6166.8154.3-66.4168.4-173.5169.60119.4
653T27Very low36.7Very low111 Ų111138 Ų13868%0.68174%0.743SS**  cis-161154.123.4-310000114.2
654E29.4Very low37.9Very low152 Ų152138 Ų13871%0.7175%0.745SS**  trans46.2163.8151.9-81.8-170.6108.400122.3
655R26.3Very low37Very low216 Ų216136.8 Ų136.882%0.81574%0.739SS**  cis-172.6164.3-18.3171.2164.8170.3-172.6-1.7110.9
656A39.1Very low36.9Very low82 Ų82134.7 Ų134.768%0.67874%0.738SS**  trans-107.9176178.200000113.9
657P57.5Low35.6Very low117 Ų117135.1 Ų135.176%0.7674%0.744SS**  -160.7174.699.242.8-23.8000120.5
658S31.6Very low35.8Very low114 Ų114133.2 Ų133.280%0.79774%0.737SS**  trans80.5165.6150.784.70000118.1
659V35.8Very low35.9Very low114 Ų114136.5 Ų136.569%0.69174%0.735SS**  cis-159.11724.773.50000112.7
660Q30.2Very low34.5Very low168 Ų168140 Ų14079%0.78574%0.738SS**  trans68.7159.5162.6-69.5178.9-4600118.7
661E28.2Very low34.5Very low133 Ų133142 Ų14262%0.62174%0.738SS**  cis-146-120.5-18.8-117.1-65.7105.100114.1
662R30Very low35.1Very low196 Ų196143.3 Ų143.374%0.7475%0.748SS**  trans-159.7146.8-146.4-170.4-166.8-41.9-125.5-10.7117.2
663P56.3Low35.1Very low111 Ų111139.7 Ų139.772%0.72175%0.747SS**  trans-116.2177.6168.842.2-33.3000114.6
664P56.2Low35.1Very low126 Ų126144.3 Ų144.382%0.81875%0.752SS**  trans-136.5175.9132.440.9-28.7000112
665S28.1Very low34.8Very low95 Ų95144.6 Ų144.666%0.66475%0.753SS**  cis-155.8144.821.754.90000114.5
666T30.4Very low34.7Very low128 Ų128138.1 Ų138.179%0.78575%0.754SS**  trans49.2140.6144.855.90000121.3
667S31.8Very low34Very low101 Ų101140.2 Ų140.271%0.70676%0.764SS**  cis169.3160.6-6.848.70000106.3
668E32.9Very low32.8Very low149 Ų149146.1 Ų146.170%0.69677%0.771SS**  cis-171.5-173.5-17.7-95.2-161.6108.200104.2
669K32Very low33.3Very low162 Ų162146.8 Ų146.870%0.70477%0.772SS**  cis-160.6174.60.2-127.5157.4-177.2135.50104.1
670K27.6Very low32.9Very low190 Ų190144.8 Ų144.883%0.82678%0.775SS**  cis-159.7-1674.1-156.7-171.7178.1-178.70107.2
671R33.1Very low32.8Very low227 Ų227142.3 Ų142.386%0.85778%0.776SS**  trans-133.5155.9161.1-91.8-173.2176.9-170.80.6108.7
672P44.7Very low32.7Very low129 Ų129146.2 Ų146.284%0.83879%0.785SS**  -149.7-149.479.542.5-21.2000114.6
673S28.8Very low32.7Very low113 Ų113140.4 Ų140.479%0.7978%0.779SS**  trans-115.3174.5-165.254.70000115.1
674R26.7Very low31.4Very low207 Ų207141.6 Ų141.678%0.78178%0.775SS**  trans112.9138148.9-165.2175.6166.5172-1.8117.6
675E24.1Very low29.9Very low158 Ų158142 Ų14274%0.73878%0.775SS**  trans26.7140.5162.3-65174.4129.500122.4
676G23.7Very low30.1Very low81 Ų81146.9 Ų146.984%0.83578%0.779SS**  trans169.8135163.400000115.8
677S24.1Very low30.7Very low126 Ų126146.7 Ų146.788%0.88178%0.78SS**  trans-96.3169.5-175.5-67.80000116
678R32Very low30.9Very low240 Ų240147.9 Ų147.991%0.90678%0.778SS**  trans-33.3156.4155.8-90.2180174.9-177.9-1.1114.9
679P42.8Very low31.9Very low128 Ų128146.1 Ų146.183%0.83178%0.78SS**  cis-134.2171.349.138.3-19.7000114.6
680G27.3Very low31.9Very low72 Ų72148 Ų14874%0.74279%0.788SS**  112168.165.100000109.3
681S27.7Very low31.9Very low116 Ų116151 Ų15181%0.81179%0.794SS**  cis-173.3172.5-23.857.90000109.4
682R27.5Very low31.8Very low216 Ų216147.6 Ų147.682%0.81579%0.788SS**  trans70.7159.3171-111.5-178.7164.4160-3117.2E684R682-E684 IonicContact CZ-OE2 3.77Å; R682-E684 IonicContact NE-OE2 3.74Å; R682-E684 PolarHBondContact NE-OE2 3.47Å; R682-E684 IonicContact NH2-OE2 3.74Å; R682-E684 PolarHBondContact NH2-OE2 2.92Å; R682-E684 VanDerWaalsContact NH2-OE2 3.15Å
683A29Very low31.9Very low74 Ų74147.1 Ų147.161%0.61278%0.784SS**  cis-140.3146.6-3.600000110.1
684E28.1Very low32.1Very low135 Ų135145.3 Ų145.363%0.63177%0.772SS**  60.1136.792.6-47.3-179.286.700113.9R682R682-E684 IonicContact CZ-OE2 3.77Å; R682-E684 IonicContact NE-OE2 3.74Å; R682-E684 PolarHBondContact NE-OE2 3.47Å; R682-E684 IonicContact NH2-OE2 3.74Å; R682-E684 PolarHBondContact NH2-OE2 2.92Å; R682-E684 VanDerWaalsContact NH2-OE2 3.15Å
685T26.7Very low33Very low135 Ų135141.4 Ų141.483%0.82877%0.773SS**  cis-154.9172.929.5-33.40000114.8
686R31Very low33.5Very low197 Ų197138 Ų13874%0.74377%0.772SS**  trans-71.8177178.3-132.1-169.2-176.4177.23.6114
687P44.3Very low35.2Very low125 Ų125139.9 Ų139.981%0.81277%0.77SS**  -141.2-178.259.433.6-10.8000117.8
688L34.8Very low36.8Very low125 Ų125139.1 Ų139.165%0.65476%0.762SS**  trans-133.1164.6179.4-81.7165.9000110.3
689P54Low37.7Very low113 Ų113133.4 Ų133.473%0.73476%0.756SS**  -136.3133.8114.217.33.7000113.7
690K33.1Very low37.2Very low202 Ų202136.6 Ų136.688%0.87876%0.757SS**  66.4136.297.9-62.8179.9-179.3178.80114.2
691R27.6Very low37.2Very low251 Ų251145.1 Ų145.195%0.94777%0.766SS**  cis-147.1167.646.1-157.2176.8-175.9-173.71.4113.6
692Q30.8Very low37.5Very low157 Ų157148.5 Ų148.573%0.73477%0.769SS**  trans-126.2-174.6-178.2-117.3-171.61100110.1S694Q692-S694 VanDerWaalsContact CD-OG 3.3Å; Q692-S694 PolarHBondContact NE2-OG 2.89Å
693P45.6Very low38Very low118 Ų118144.1 Ų144.177%0.76677%0.769SS**  cis-117.9174.414.318.47.9000114.2
694S34.4Very low38.3Very low75 Ų75145.8 Ų145.852%0.52478%0.776SS.*  cis83.9148.731.1-480000114.7Q692Q692-S694 VanDerWaalsContact CD-OG 3.3Å; Q692-S694 PolarHBondContact NE2-OG 2.89Å
695P45Very low38.7Very low125 Ų125145.4 Ų145.481%0.81279%0.785SS**  cis-114.2171.61441.3-31.4000116.2
696A33.8Very low39.1Very low87 Ų87143.2 Ų143.272%0.71978%0.781SS**  cis112.4155.53.300000115.5
697P60.7Low39.5Very low120 Ų120139.9 Ų139.978%0.77979%0.785SS**  trans-139.8-122.3-130.636.9-10.2000115.4
698P57Low39Very low111 Ų111139.2 Ų139.272%0.72178%0.783SS**  -94.6-95.3-77.823.8-3.2000114.2
699P50.9Low39.5Very low119 Ų119138.3 Ų138.377%0.77378%0.784SS**  cis-118.2-141.3-7.344.1-27.4000114.3
700K31.9Very low38.3Very low196 Ų196142.1 Ų142.185%0.85279%0.789SS**  trans-155.6153.6172.6-64.9178.2179.91780110.5
701R28Very low38.1Very low251 Ų251141.6 Ų141.695%0.94778%0.782SS**  trans149.5161133-84.2-177172.5-135.3-1.8116.8
702Q32.8Very low38.2Very low186 Ų186136.1 Ų136.187%0.86977%0.767SS**  trans-71.4176.2168.5-68.6170.3-29.900112.3
703P39.3Very low38.2Very low125 Ų125136.3 Ų136.381%0.81277%0.773SS**  cis-138.8-162.518.243.2-22.2000116.8
704S34.3Very low37.5Very low108 Ų108135.6 Ų135.676%0.75577%0.77SS**  trans-87.1161.3-175.351.80000115.7
705P37.8Very low38.1Very low127 Ų127138 Ų13883%0.82578%0.784SS**  -144.1-178.1103.639.9-25.5000115.1
706A34.1Very low37.6Very low90 Ų90137.2 Ų137.274%0.74478%0.782SS**  trans-89.1168.9176.700000112.8
707P39.7Very low38.1Very low126 Ų126139 Ų13982%0.81879%0.786SS**  -151.117883.841.4-23.7000116.6
708S32.6Very low36.8Very low112 Ų112138.7 Ų138.778%0.78379%0.786SS**  trans-112.4152.3158.661.40000110
709P45.8Very low36.8Very low105 Ų105138.6 Ų138.668%0.68279%0.786SS**  -158.1150.611539.5-20.5000115.3
710K29.8Very low35.7Very low193 Ų193142.1 Ų142.184%0.83979%0.789SS**  159.8163.191.2-81.1-171.7-174.3172.50108.3
711R28.9Very low35.5Very low191 Ų191144.5 Ų144.572%0.72179%0.793SS**  cis-178.2122.1-25.5176.3179-170-110.29110.9
712Q28.6Very low35.7Very low137 Ų137140.5 Ų140.564%0.6479%0.785SS**  trans64166.1160.4-64.6168.9-25.800117
713L30.6Very low36.6Very low161 Ų161137.6 Ų137.684%0.84378%0.782SS**  cis-138.3176.215.5-104.4104.6000112.6
714S32Very low36.2Very low103 Ų103136.2 Ų136.272%0.7278%0.776SS**  trans-108.7162.8163.959.40000111.4
715P46.7Very low37.1Very low124 Ų124136.5 Ų136.581%0.80578%0.775SS**  -150.4-173.990.440.9-22.5000115.4
716S33.9Very low36.8Very low110 Ų110135.1 Ų135.177%0.76977%0.768SS**  trans-96.4158.2170.454.10000112.5
717P45.2Very low36.6Very low125 Ų125138.6 Ų138.681%0.81277%0.773SS**  -153.3-174.6104.140.6-22.2000115.8
718S33.3Very low36.2Very low112 Ų112137.9 Ų137.978%0.78377%0.771SS**  trans-110-165175.2-29.60000110.9
719P55.8Low37.1Very low110 Ų110137.7 Ų137.771%0.71477%0.767SS**  -128.7178.5-52.733.3-15.8000113.1
720K28.2Very low36.5Very low192 Ų192141.9 Ų141.984%0.83578%0.775SS**  trans144.8146.1136.9-80.6166-179.7172.40117.9
721R28.4Very low36.5Very low247 Ų247141 Ų14193%0.93277%0.766SS**  trans87.4155.8139.1-95.9-171.2172-151.5-2.8123.9
722Q32.5Very low36.5Very low166 Ų166137.9 Ų137.978%0.77676%0.76SS**  trans-106.8174.1-167.9-139.3-179.126.300109.8
723P50.4Low36.7Very low126 Ų126138.8 Ų138.882%0.81876%0.764SS**  -150.1-176.776.739.9-19.6000116.8
724S32.5Very low36.7Very low96 Ų96136.5 Ų136.567%0.67176%0.761SS**  trans-102.5-174.9178.956.50000112.9
725P52.5Low37.3Very low114 Ų114137.9 Ų137.974%0.7477%0.768SS**  -150.7148.995.840.5-24000118.2
726S30.4Very low36.6Very low98 Ų98136.3 Ų136.369%0.68577%0.766SS**  trans44.2148.2135.677.10000122.8
727L31.1Very low37.6Very low163 Ų163136.9 Ų136.985%0.85377%0.767SS**  cis-144.3178.126.7-83.2171.6000113.5
728S31.2Very low37.7Very low110 Ų110136.4 Ų136.477%0.76976%0.764SS**  trans-147.5169.3168.8-42.90000108.6
729P51.7Low39Very low108 Ų108136.6 Ų136.670%0.70176%0.762SS**  -164.515582.642.1-20.6000120.6
730K32.1Very low37.7Very low194 Ų194140.5 Ų140.584%0.84377%0.768SS**  trans63.9156.7134.5-71.5178.3-179.8173.70121.6
731R30.1Very low37.7Very low173 Ų173137.8 Ų137.865%0.65377%0.768SS**  cis-179.2170.2-14.7177.9-179175.5-137.29.1110.8
732Q30.2Very low37.7Very low127 Ų127130.5 Ų130.559%0.59376%0.76SS**  trans86.9142.9145.9-113.1153-37.600119.5
733Q31Very low37.5Very low155 Ų155127.3 Ų127.372%0.72476%0.762SS**  cis-162.5174.4-26-118.7173.8-32.800112.4
734S32.3Very low36.3Very low113 Ų113127.8 Ų127.879%0.7976%0.758SS**  trans-88.1175.9-178.1-39.30000114.9
735P44.4Very low36.1Very low132 Ų132131 Ų13186%0.85776%0.762SS**  -150.6-171.18440.5-20.5000117.2
736A32Very low34.9Very low92 Ų92133.6 Ų133.676%0.7676%0.764SS**  trans-136.4-169.6174.900000108.9
737P53.5Low35.6Very low122 Ų122133.3 Ų133.379%0.79276%0.76SS**  cis-122.2-132.9636.5-11.2000110.4
738P48.6Very low35.4Very low115 Ų115134.5 Ų134.575%0.74776%0.759SS**  cis-132.6-175.5-1442.6-23.5000116.8
739P59.2Low35.3Very low116 Ų116135 Ų13575%0.75376%0.757SS**  trans-127.3164.5-177.741.3-28000118.5
740K30.1Very low34.1Very low192 Ų192136.3 Ų136.384%0.83576%0.763SS**  trans116.8141.2151.8-68.5-172.4174.7-177.30120.6
741T27.8Very low34.1Very low134 Ų134132.3 Ų132.382%0.82276%0.759SS**  trans78.9135.6143.535.80000125.3
742A27.9Very low34Very low94 Ų94133.6 Ų133.678%0.77777%0.769SS**  trans85.9103.5140.700000123.4
743A27.5Very low34.7Very low99 Ų99133.4 Ų133.482%0.81878%0.78SS**  57.7131.1119.400000125.1
744N25.6Very low34.7Very low137 Ų137130.5 Ų130.573%0.73378%0.782SS**  trans98.7152.1133.4-133.921.5000122.4
745H29.5Very low34.7Very low164 Ų164133.3 Ų133.376%0.75978%0.782SS**  trans83110.2166.1-64.7-67.2000122.6
746E27.2Very low34.7Very low167 Ų167133.2 Ų133.278%0.7878%0.782SS**  -20.2174.4127.4-94.7-159.9167.800118.8
747P43.8Very low34.6Very low93 Ų93138 Ų13860%0.60479%0.785SS**  cis-145.7163.220.826.2-0.4000120.6
748K28.3Very low33.4Very low188 Ų188136.4 Ų136.482%0.81778%0.783SS**  trans63.3167.2146.5-63.3160.9-169.3169.70117.4
749T27.9Very low32.5Very low120 Ų120138.6 Ų138.674%0.73679%0.787SS**  cis-140.5145.41443.90000114.4
750V27.9Very low31Very low135 Ų135140.6 Ų140.682%0.81879%0.789SS**  36.5123.9127-167.30000118
751S31Very low31Very low111 Ų111135.9 Ų135.978%0.77679%0.786SS**  -157.4160.564.559.40000117.8
752K28.6Very low31Very low199 Ų199139.1 Ų139.187%0.86579%0.789SS**  trans-108.9179.1157.7-84.2-172.2177.5-175.10107.8
753P44.6Very low31.9Very low124 Ų124140.5 Ų140.581%0.80579%0.79SS**  cis-123.6-159.63.943.2-25000111.5
754A30Very low31.9Very low93 Ų93140.4 Ų140.477%0.76979%0.789SS**  cis-152167.17.200000112.1
755E32.2Very low32Very low172 Ų172140.4 Ų140.480%0.80479%0.794SS**  trans-84.5163.5162.6-57.8-176142.300110.9
756P44.8Very low31.9Very low130 Ų130143.6 Ų143.684%0.84480%0.799SS**  -135177.99638.9-28.9000115
757K30.3Very low31.7Very low192 Ų192140.3 Ų140.384%0.83580%0.795SS**  trans-80.6154.1-168.1-55.4169-178.5175.20113.8
758A29Very low30.9Very low89 Ų89142.7 Ų142.774%0.73680%0.802SS**  138.6109123.600000116.7
759I28.6Very low30.8Very low162 Ų162141.2 Ų141.283%0.83180%0.802SS**  trans41135138.1-24.3179.2000121.4
760I29.4Very low30.7Very low157 Ų157140.5 Ų140.581%0.80580%0.802SS**  trans130.8135.9142.4-67.5176.1000114.8
761A29Very low30.7Very low94 Ų94145.2 Ų145.278%0.77781%0.805SS**  trans70134.6163.700000122.1
762K27.4Very low30.4Very low201 Ų201149 Ų14987%0.87481%0.807SS**  trans-116.8-170.4153.1-46.7178.2-179.1176.10106.4
763P47.4Very low30.3Very low123 Ų123148.2 Ų148.280%0.79981%0.809SS**  cis-134.8158.7-13.539.2-22.9000115.6
764A26.6Very low29.6Very low98 Ų98146.2 Ų146.281%0.8180%0.803SS**  trans-173.1153.1159.700000109.4
765V28Very low29.7Very low137 Ų137150.2 Ų150.283%0.8381%0.806SS**  cis-155.4165.6-16.2117.90000109.4
766R27.2Very low29.5Very low231 Ų231147.8 Ų147.887%0.87281%0.808SS**  trans-35.2159.4163.9-85.7176.4172.2151-4.4115.9
767S24.4Very low29Very low98 Ų98146.4 Ų146.469%0.68580%0.801SS**  cis-179173.9-3.4-173.90000111.7
768L25.6Very low29.7Very low143 Ų143145 Ų14575%0.74980%0.803SS**  trans84.2125.4155.4-76.6162.3000123
769L27.7Very low30.2Very low156 Ų156148.4 Ų148.482%0.81781%0.808SS**  trans71.7125.2149-58.2165.8000118.8
770S26.3Very low31Very low105 Ų105149.4 Ų149.473%0.73481%0.809SS**  -170.3164.654.1-170.40000114.4
771R26.2Very low32.6Very low234 Ų234143.2 Ų143.288%0.88378%0.784SS**  trans62.7151.6172.4-72.3-178.9171.3166.9-2.5118.3
772K25.7Very low33.9Very low191 Ų191144.2 Ų144.283%0.8378%0.783SS**  cis151.4106.4-28.4173.3-179.5176.9-179.20108.2
773M26.1Very low35.4Very low183 Ų183140.7 Ų140.790%0.90177%0.773SS**  trans-158.4138.1167.1-89.5-163.6-17400105.2
774A29.8Very low36.7Very low81 Ų81137.8 Ų137.867%0.66975%0.753SS**  cis62.6115.421.600000112.8
775E31.2Very low39.1Very low178 Ų178137 Ų13783%0.83274%0.738SS**  cis-167.7145.318.5173.2172.8-162.800110.2
776S29.6Very low41.4Very low121 Ų121136.4 Ų136.485%0.84673%0.728SS**  trans-163.5115.7160.550.90000111.6
777S34.1Very low44Very low101 Ų101129.4 Ų129.471%0.70671%0.71SS**  trans-132.6114.8177.4-52.60000108.4
778D43.6Very low46.6Very low162 Ų162127.8 Ų127.887%0.86670%0.698SS**  trans-171.384.4166.8-98.4-31.6000111.1
779L41Very low49.4Very low161 Ų161126.8 Ų126.884%0.84369%0.691SS**  trans-146.846170.2-82.7-175.4000111.9G781 T784L779-G781 PolarHBondContact O-N 3.12Å; L779-G781 VanDerWaalsContact O-N 3.15Å; L779-T784 PolarHBondContact O-OG1 3.32Å
780E44.7Very low52.5Low182 Ų182123.1 Ų123.185%0.8568%0.675SS**  trans-84.183.9175.7-167.8160.3-126.500111.4
781G63.5Low55.6Low28 Ų28122.4 Ų122.429%0.28966%0.662SS.*  trans-97.3159.8166.200000111.6L779 N783 T784L779-G781 PolarHBondContact O-N 3.12Å; L779-G781 VanDerWaalsContact O-N 3.15Å; G781-N783 PolarHBondContact O-N 2.9Å; G781-T784 PolarHBondContact N-OG1 3.4Å; G781-T784 WeakPolarHBondContact O-CB 3.47Å; G781-T784 PolarHBondContact O-N 3.11Å; G781-T784 PolarHBondContact O-OG1 3.48Å
782P55.6Low58.6Low115 Ų115116.6 Ų116.675%0.74765%0.648SS**Hα-helixtrans-59.9-20.5-179.624.1-34.4000113.7
783N58.8Low61.8Low126 Ų126112.9 Ų112.967%0.67464%0.637SS**Hα-helixtrans-80.7-25176-64-26.1000113.3G781 V785 M786 V787G781-N783 PolarHBondContact O-N 2.9Å; N783-V785 PolarHBondContact O-N 3.14Å; N783-M786 PolarHBondContact O-N 3.36Å; N783-V787 WeakPolarHBondContact O-CG2 3.26Å; N783-V787 PolarHBondContact O-N 2.99Å
784T74.4Confident64.5Low63 Ų63108.5 Ų108.539%0.38762%0.617SS.*Hα-helixtrans-64.6-42.4-175.4-41.40000110.7L779 G781 M786 V787 C788L779-T784 PolarHBondContact O-OG1 3.32Å; G781-T784 PolarHBondContact N-OG1 3.4Å; G781-T784 WeakPolarHBondContact O-CB 3.47Å; G781-T784 PolarHBondContact O-N 3.11Å; G781-T784 PolarHBondContact O-OG1 3.48Å; T784-M786 PolarHBondContact O-N 3.31Å; T784-V787 PolarHBondContact O-N 2.93Å; T784-C788 PolarHBondContact O-N 3.08Å; T784-C788 PolarHBondContact O-SG 3.06Å; T784-C788 VanDerWaalsContact O-SG 3.38Å
785V77.8Confident67.5Low81 Ų81108.9 Ų108.949%0.49161%0.607SS.*Hα-helixtrans-59.8-43.7175.2-177.90000111.6N783 V787 C788 M789N783-V785 PolarHBondContact O-N 3.14Å; V785-V787 PolarHBondContact O-N 3.01Å; V785-C788 PolarHBondContact O-N 2.92Å; V785-M789 HydrophobicContact CG1-CG 4.4Å; V785-M789 WeakPolarHBondContact O-CG 3.18Å; V785-M789 PolarHBondContact O-N 2.9Å
786M76.7Confident70.2Confident124 Ų124102 Ų10261%0.61158%0.584SS**Hα-helixtrans-63.6-40.9177.9-69.3-66.3-70.700112.1N783 T784 M789 V790N783-M786 PolarHBondContact O-N 3.36Å; T784-M786 PolarHBondContact O-N 3.31Å; M786-M789 PolarHBondContact O-N 3.41Å; M786-V790 WeakPolarHBondContact O-CG2 3.4Å; M786-V790 PolarHBondContact O-N 3.2Å
787V80.9Confident73.1Confident84 Ų84101 Ų10151%0.50957%0.568SS.*Hα-helixtrans-62.8-46174.7171.20000110.8N783 T784 V785 M789 V790 I791N783-V787 WeakPolarHBondContact O-CG2 3.26Å; N783-V787 PolarHBondContact O-N 2.99Å; T784-V787 PolarHBondContact O-N 2.93Å; V785-V787 PolarHBondContact O-N 3.01Å; V787-M789 PolarHBondContact O-N 3.45Å; V787-V790 PolarHBondContact O-N 2.88Å; V787-I791 HydrophobicContact CG1-CD1 3.77Å; V787-I791 WeakPolarHBondContact O-CG1 3.35Å; V787-I791 PolarHBondContact O-N 2.92Å
788C79.6Confident75.6Confident64 Ų6498.8 Ų98.843%0.43256%0.556SS.*Hα-helixtrans-60.5-42.3175.6-68.50000112.5T784 V785 V790 I791 L792T784-C788 PolarHBondContact O-N 3.08Å; T784-C788 PolarHBondContact O-SG 3.06Å; T784-C788 VanDerWaalsContact O-SG 3.38Å; V785-C788 PolarHBondContact O-N 2.92Å; C788-V790 PolarHBondContact O-N 3.08Å; C788-I791 PolarHBondContact O-N 3.22Å; C788-L792 WeakPolarHBondContact O-CB 3.29Å; C788-L792 VanDerWaalsContact O-CG 3.32Å; C788-L792 WeakPolarHBondContact O-CG 3.42Å; C788-L792 PolarHBondContact O-N 2.85Å
789M85.1Confident77.8Confident122 Ų12296.2 Ų96.260%0.60154%0.541SS*.Hα-helixtrans-62.5-41.9176.7-63.8-125.294.100112.2V785 M786 V787 L792 L793V785-M789 HydrophobicContact CG1-CG 4.4Å; V785-M789 WeakPolarHBondContact O-CG 3.18Å; V785-M789 PolarHBondContact O-N 2.9Å; M786-M789 PolarHBondContact O-N 3.41Å; V787-M789 PolarHBondContact O-N 3.45Å; M789-L792 PolarHBondContact O-N 2.84Å; M789-L793 WeakPolarHBondContact O-CB 3.43Å; M789-L793 PolarHBondContact O-N 2.87Å
790V90.9Very high79.9Confident79 Ų7993.4 Ų93.448%0.47953%0.527SS..Hα-helixtrans-66.7-39.7177.4170.80000111.7M786 V787 C788 L793 N794M786-V790 WeakPolarHBondContact O-CG2 3.4Å; M786-V790 PolarHBondContact O-N 3.2Å; V787-V790 PolarHBondContact O-N 2.88Å; C788-V790 PolarHBondContact O-N 3.08Å; V790-L793 PolarHBondContact O-N 2.97Å; V790-N794 PolarHBondContact O-N 2.83Å; V790-N794 VanDerWaalsContact O-N 3.08Å; V790-N794 PolarHBondContact O-ND2 3.29Å
791I91.7Very high81.8Confident90 Ų9091.4 Ų91.446%0.46252%0.515SS..Hα-helixtrans-62.5-48.6175.2-69.7166.6000110.6V787 C788 L793 N794 I795V787-I791 HydrophobicContact CG1-CD1 3.77Å; V787-I791 WeakPolarHBondContact O-CG1 3.35Å; V787-I791 PolarHBondContact O-N 2.92Å; C788-I791 PolarHBondContact O-N 3.22Å; I791-L793 PolarHBondContact O-N 3.39Å; I791-N794 PolarHBondContact O-N 2.97Å; I791-I795 HydrophobicContact CG2-CD1 3.78Å; I791-I795 WeakPolarHBondContact O-CG1 3.42Å; I791-I795 PolarHBondContact O-N 3.09Å
792L90.6Very high82.9Confident113 Ų11394.5 Ų94.559%0.59253%0.529SS*.Hα-helixtrans-63.6-38.2178.9-70.4170000112.5C788 M789 I795 G796C788-L792 WeakPolarHBondContact O-CB 3.29Å; C788-L792 VanDerWaalsContact O-CG 3.32Å; C788-L792 WeakPolarHBondContact O-CG 3.42Å; C788-L792 PolarHBondContact O-N 2.85Å; M789-L792 PolarHBondContact O-N 2.84Å; L792-I795 PolarHBondContact O-N 2.68Å; L792-G796 PolarHBondContact O-N 3.33Å
793L91.6Very high83.9Confident112 Ų11296.2 Ų96.259%0.58653%0.526SS*.Hα-helixtrans-61.6-45.8175-173.372.2000111.6M789 V790 I791 G796 L797M789-L793 WeakPolarHBondContact O-CB 3.43Å; M789-L793 PolarHBondContact O-N 2.87Å; V790-L793 PolarHBondContact O-N 2.97Å; I791-L793 PolarHBondContact O-N 3.39Å; L793-G796 PolarHBondContact O-N 3.49Å; L793-L797 HydrophobicContact CG-CD1 4.33Å; L793-L797 WeakPolarHBondContact O-CG 3.38Å; L793-L797 PolarHBondContact O-N 3.09Å
794N84.2Confident84.8Confident92 Ų9296 Ų9649%0.49252%0.524SS..Hα-helixtrans-66-37.9178.9-72.4-31.2000112.2V790 I791 L797 A798V790-N794 PolarHBondContact O-N 2.83Å; V790-N794 VanDerWaalsContact O-N 3.08Å; V790-N794 PolarHBondContact O-ND2 3.29Å; I791-N794 PolarHBondContact O-N 2.97Å; N794-L797 PolarHBondContact O-N 3.24Å; N794-A798 WeakPolarHBondContact O-CB 3.35Å; N794-A798 PolarHBondContact O-N 3.37Å
795I91.6Very high84.6Confident89 Ų8999 Ų9946%0.45654%0.537SS..Hα-helixtrans-64.5-45.1173.8-67.7166000110.6I791 L792 L797 A798 I799I791-I795 HydrophobicContact CG2-CD1 3.78Å; I791-I795 WeakPolarHBondContact O-CG1 3.42Å; I791-I795 PolarHBondContact O-N 3.09Å; L792-I795 PolarHBondContact O-N 2.68Å; I795-L797 PolarHBondContact O-N 2.67Å; I795-A798 PolarHBondContact O-N 3.06Å; I795-I799 HydrophobicContact CG2-CD1 3.86Å; I795-I799 WeakPolarHBondContact O-CG1 3.26Å; I795-I799 PolarHBondContact O-N 3.29Å
796G87.6Confident83.6Confident33 Ų33102 Ų10234%0.3456%0.561SS.*Hα-helixtrans-60.8-41.5176.700000113.1L792 L793 I799 L800L792-G796 PolarHBondContact O-N 3.33Å; L793-G796 PolarHBondContact O-N 3.49Å; G796-I799 PolarHBondContact O-N 2.91Å; G796-L800 PolarHBondContact O-N 3.23Å
797L91.2Very high84Confident99 Ų99100.9 Ų100.952%0.51856%0.559SS.*Hα-helixtrans-64.9-40.3174.1-73170.7000112.4L793 N794 I795 L800 F801L793-L797 HydrophobicContact CG-CD1 4.33Å; L793-L797 WeakPolarHBondContact O-CG 3.38Å; L793-L797 PolarHBondContact O-N 3.09Å; N794-L797 PolarHBondContact O-N 3.24Å; I795-L797 PolarHBondContact O-N 2.67Å; L797-L800 PolarHBondContact O-N 2.91Å; L797-F801 WeakPolarHBondContact O-CB 3.36Å; L797-F801 PolarHBondContact O-N 3.41Å
798A87.7Confident84.1Confident55 Ų55101.7 Ų101.746%0.45556%0.561SS.*Hα-helixtrans-64.3-42.1176.600000112.2N794 I795 F801 V802N794-A798 WeakPolarHBondContact O-CB 3.35Å; N794-A798 PolarHBondContact O-N 3.37Å; I795-A798 PolarHBondContact O-N 3.06Å; A798-F801 PolarHBondContact O-N 2.85Å; A798-V802 WeakPolarHBondContact O-CG2 3.24Å; A798-V802 PolarHBondContact O-N 3.05Å
799I88.7Confident84.4Confident108 Ų108103.8 Ų103.855%0.55457%0.569SS**Hα-helixtrans-62.9-46.2175.8-67.1165.3000110.6I795 G796 F801 V802 H803I795-I799 HydrophobicContact CG2-CD1 3.86Å; I795-I799 WeakPolarHBondContact O-CG1 3.26Å; I795-I799 PolarHBondContact O-N 3.29Å; G796-I799 PolarHBondContact O-N 2.91Å; I799-F801 VanDerWaalsContact C-N 3.3Å; I799-F801 PolarHBondContact O-N 3.25Å; I799-V802 PolarHBondContact O-N 3.03Å; I799-H803 WeakPolarHBondContact O-CB 3.37Å; I799-H803 PolarHBondContact O-N 3.29Å
800L84.8Confident84.3Confident103 Ų103102.8 Ų102.854%0.53957%0.567SS.*Hα-helixtrans-58.1-41.3173.8-94.6163.5000112.3G796 L797 H803 I804G796-L800 PolarHBondContact O-N 3.23Å; L797-L800 PolarHBondContact O-N 2.91Å; L800-H803 CarbonylContact O-C 3.44Å; L800-H803 PolarHBondContact O-N 3.18Å; L800-I804 HydrophobicContact CD2-CD1 4.45Å; L800-I804 WeakPolarHBondContact O-CB 3.24Å; L800-I804 WeakPolarHBondContact O-CD1 3.25Å; L800-I804 VanDerWaalsContact O-CG1 3.25Å; L800-I804 WeakPolarHBondContact O-CG1 3.33Å; L800-I804 PolarHBondContact O-N 2.85Å
801F85.9Confident83.9Confident139 Ų139104.3 Ų104.361%0.6157%0.572SS**Hα-helixtrans-67-41.2-179-158.4-108.1000112.2L797 A798 I799 H803 I804 L805L797-F801 WeakPolarHBondContact O-CB 3.36Å; L797-F801 PolarHBondContact O-N 3.41Å; A798-F801 PolarHBondContact O-N 2.85Å; I799-F801 VanDerWaalsContact C-N 3.3Å; I799-F801 PolarHBondContact O-N 3.25Å; F801-H803 VanDerWaalsContact C-N 3.33Å; F801-H803 PolarHBondContact O-N 3.19Å; F801-I804 PolarHBondContact O-N 2.76Å; F801-L805 HydrophobicContact CD1-CD1 3.68Å; F801-L805 HydrophobicContact CE1-CD1 3.46Å; F801-L805 VanDerWaalsContact CE1-CD1 3.46Å; F801-L805 HydrophobicContact CG-CD1 4.45Å; F801-L805 HydrophobicContact CZ-CD1 4.06Å; F801-L805 WeakPolarHBondContact O-CG 3.37Å; F801-L805 PolarHBondContact O-N 3.07Å
802V86.1Confident83.4Confident94 Ų94105.2 Ų105.257%0.5758%0.579SS**Hα-helixtrans-62.2-41.2172.2172.50000111.1A798 I799 I804 L805 S806A798-V802 WeakPolarHBondContact O-CG2 3.24Å; A798-V802 PolarHBondContact O-N 3.05Å; I799-V802 PolarHBondContact O-N 3.03Å; V802-I804 VanDerWaalsContact C-N 3.25Å; V802-I804 PolarHBondContact O-N 3.11Å; V802-L805 PolarHBondContact O-N 2.92Å; V802-S806 PolarHBondContact O-N 3Å; V802-S806 PolarHBondContact O-OG 3.08Å
803H76.8Confident82.9Confident150 Ų150104.6 Ų104.669%0.69458%0.579SS**THydrogen-bonded Turntrans-78.1-4.5-178.2-146-40.3000114.5I799 L800 F801I799-H803 WeakPolarHBondContact O-CB 3.37Å; I799-H803 PolarHBondContact O-N 3.29Å; L800-H803 CarbonylContact O-C 3.44Å; L800-H803 PolarHBondContact O-N 3.18Å; F801-H803 VanDerWaalsContact C-N 3.33Å; F801-H803 PolarHBondContact O-N 3.19Å
804I77.9Confident82.2Confident122 Ų122104.1 Ų104.163%0.62658%0.578SS**THydrogen-bonded Turntrans-102.5-15.4171.6-71.5166.1000111.3L800 F801 V802L800-I804 HydrophobicContact CD2-CD1 4.45Å; L800-I804 WeakPolarHBondContact O-CB 3.24Å; L800-I804 WeakPolarHBondContact O-CD1 3.25Å; L800-I804 VanDerWaalsContact O-CG1 3.25Å; L800-I804 WeakPolarHBondContact O-CG1 3.33Å; L800-I804 PolarHBondContact O-N 2.85Å; F801-I804 PolarHBondContact O-N 2.76Å; V802-I804 VanDerWaalsContact C-N 3.25Å; V802-I804 PolarHBondContact O-N 3.11Å
805L69.4Low82.1Confident126 Ų126105.1 Ų105.166%0.6659%0.585SS**  trans-105.76.1177.8-66.9176.3000113.5F801 V802F801-L805 HydrophobicContact CD1-CD1 3.68Å; F801-L805 HydrophobicContact CE1-CD1 3.46Å; F801-L805 VanDerWaalsContact CE1-CD1 3.46Å; F801-L805 HydrophobicContact CG-CD1 4.45Å; F801-L805 HydrophobicContact CZ-CD1 4.06Å; F801-L805 WeakPolarHBondContact O-CG 3.37Å; F801-L805 PolarHBondContact O-N 3.07Å; V802-L805 PolarHBondContact O-N 2.92Å
806S57.2Low81.2Confident143 Ų143106.5 Ų106.5100%160%0.597SS**  trans-116.80172.4-49.10000109.8V802V802-S806 PolarHBondContact O-N 3Å; V802-S806 PolarHBondContact O-OG 3.08Å

Retrieved 806 of 806 residues in 201.9 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).