A0A5K4F7C5_SCHMA Loading...

60S ribosomal protein L32

AlphaFold DB , UniProt , Accession A0A5K4F7C5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M61.3Low88.8Confident243 Ų243111.5 Ų111.5100%1.19754%0.543SS*.  0139.60-69.1-178.1178.700109.7
2A82.4Confident89.3Confident86 Ų86111.3 Ų111.371%0.71154%0.544SS*.PPolyproline II helixtrans-70.5133175.100000110.8R4A2-R4 PolarHBondContact O-N 3.23Å
3I88.2Confident89.7Confident39 Ų39111.2 Ų111.220%0.254%0.539CS..PPolyproline II helixtrans-69.7116.1177.6-57.4150.7000108.1F73 S118 I119 R120I3-F73 HydrophobicContact CG2-CE1 4.48Å; I3-F73 HydrophobicContact CG2-CZ 4.25Å; I3-S118 WeakPolarHBondContact CD1-O 3.44Å; I3-I119 VanDerWaalsContact CD1-C 3.44Å; I3-R120 HydrophobicContact CB-CB 4.42Å; I3-R120 HydrophobicContact CD1-CB 4.29Å; I3-R120 HydrophobicContact CG2-CB 4.49Å
4R92.1Very high90.2Very high185 Ų185111.9 Ų111.970%0.69854%0.538SS*.PPolyproline II helixtrans-97144-179.8-65.2-177.7179.3-179.2-1.1110.3A2 R92A2-R4 PolarHBondContact O-N 3.23Å; R4-R92 PolarHBondContact O-NE 3.25Å; R4-R92 PolarHBondContact O-NH1 3.48Å; R4-R92 PolarHBondContact O-NH2 3.31Å
5P93.6Very high90.5Very high44 Ų44107.3 Ų107.329%0.28652%0.516SS..PPolyproline II helixtrans-68.7159.3175.829.9-34.3000110.8F73 R92P5-F73 HydrophobicContact CB-CD1 4.29Å; P5-F73 HydrophobicContact CB-CD2 4.04Å; P5-F73 HydrophobicContact CB-CE1 4.04Å; P5-F73 HydrophobicContact CB-CE2 3.75Å; P5-F73 HydrophobicContact CB-CG 4.31Å; P5-F73 HydrophobicContact CB-CZ 3.77Å; P5-F73 HydrophobicContact CG-CD2 4.48Å; P5-F73 HydrophobicContact CG-CE2 4.01Å; P5-F73 HydrophobicContact CG-CZ 4.33Å; P5-F73 VanDerWaalsContact N-CZ 3.31Å; P5-R92 CarbonylContact C-O 3.56Å; P5-R92 WeakPolarHBondContact CA-O 3.38Å
6L93.1Very high90.6Very high98 Ų98107.7 Ų107.751%0.51353%0.529SS..PPolyproline II helixtrans-64.9155.6163.7-66.5-175.5000110.6H8 R92 T93L6-H8 PolarHBondContact O-N 3.28Å; L6-R92 HydrophobicContact CD1-CB 4.39Å; L6-R92 HydrophobicContact CD2-CB 3.89Å; L6-R92 HydrophobicContact CG-CB 3.69Å; L6-R92 PolarHBondContact N-O 3.32Å; L6-T93 HydrophobicContact CD1-CG2 3.6Å; L6-T93 HydrophobicContact CG-CG2 4.18Å
7H92.7Very high90.8Very high179 Ų179111.1 Ų111.183%0.82954%0.54SS*.PPolyproline II helixtrans-57.2130.2174.3175.381.8000110.7
8H91Very high91Very high54 Ų54113.7 Ų113.725%0.2555%0.549CS..  trans-129.2151.8172.664.973.6000109.8L6 I68 G72L6-H8 PolarHBondContact O-N 3.28Å; H8-I68 HydrophobicContact CB-CD1 3.99Å; H8-G72 VanDerWaalsContact NE2-CA 3.3Å; H8-G72 WeakPolarHBondContact NE2-CA 3.41Å
9P92.9Very high91.2Very high36 Ų36111.5 Ų111.523%0.23453%0.534CS..  trans-61.2156.8173.524.6-32.5000111.1I11 R64 T65P9-I11 PolarHBondContact O-N 3.33Å; P9-R64 HydrophobicContact CG-CB 4.03Å; P9-T65 HydrophobicContact CB-CG2 4.38Å; P9-T65 HydrophobicContact CG-CG2 3.78Å
10R94.3Very high91.4Very high216 Ų216110.2 Ų110.282%0.81553%0.527SS*.  trans-53.7129.2178.7-174.6178.9179.7-166.41.8110.9I12R10-I12 HydrophobicContact CG-CG1 4.48Å; R10-I12 PolarHBondContact O-N 3.45Å
11I94.9Very high91.6Very high46 Ų46109.1 Ų109.124%0.23652%0.518CS..  trans-75.9110.1179.6-56.4171.5000108.8P9 K13 I68P9-I11 PolarHBondContact O-N 3.33Å; I11-K13 HydrophobicContact CG2-CD 4.38Å; I11-I68 HydrophobicContact CD1-CB 4.23Å; I11-I68 HydrophobicContact CD1-CG2 3.76Å; I11-I68 HydrophobicContact CG1-CG2 4.49Å
12I95.4Very high93.2Very high109 Ų10999.3 Ų99.356%0.55947%0.469SS*.  trans-109.3122.2176.1-59.9168.7000109.2R10R10-I12 HydrophobicContact CG-CG1 4.48Å; R10-I12 PolarHBondContact O-N 3.45Å
13K94.7Very high93.7Very high110 Ų11098.9 Ų98.948%0.47845%0.452SS..  trans-101.9112.1172.8-57.5-61-175.7-176.10109.2I11 H15I11-K13 HydrophobicContact CG2-CD 4.38Å; K13-H15 PolarHBondContact O-N 2.86Å
14K95.9Very high94Very high122 Ų12298 Ų9853%0.5345%0.449SS..SBendtrans-66.2-23.4-179-62.6-179.8179.1167.60113.9G58 G60K14-G58 WeakPolarHBondContact CD-O 3.46Å; K14-G58 PolarHBondContact NZ-O 2.91Å; K14-G60 WeakPolarHBondContact CD-O 3.46Å; K14-G60 VanDerWaalsContact CE-O 3.26Å; K14-G60 WeakPolarHBondContact CE-O 3.16Å; K14-G60 PolarHBondContact NZ-O 3.07Å
15H94.6Very high94.1Very high43 Ų4395.6 Ų95.620%0.19945%0.45CS..  trans-144.196.7176.6-168.9-82.4000108.7K13 K17 W19 Y59K13-H15 PolarHBondContact O-N 2.86Å; H15-K17 PolarHBondContact CE1-O 3.22Å; H15-K17 PolarHBondContact ND1-O 3.39Å; H15-W19 HydrophobicContact CB-CH2 4.48Å; H15-W19 HydrophobicContact CB-CZ2 4.03Å; H15-W19 AromaticContact CD2-CH2 3.54Å; H15-W19 AromaticContact CD2-CZ2 3.89Å; H15-W19 AromaticContact CE1-CH2 3.82Å; H15-W19 AromaticContact CE1-CZ2 3.94Å; H15-W19 AromaticContact CE1-CZ3 3.89Å; H15-W19 AromaticContact CG-CH2 3.77Å; H15-W19 AromaticContact CG-CZ2 3.61Å; H15-W19 AromaticContact ND1-CE2 3.86Å; H15-W19 AromaticContact ND1-CH2 3.96Å; H15-W19 AromaticContact ND1-CZ2 3.67Å; H15-W19 AromaticContact NE2-CH2 3.6Å; H15-W19 AromaticContact NE2-CZ3 3.73Å; H15-Y59 HydrophobicContact CB-CD1 3.97Å; H15-Y59 HydrophobicContact CB-CG 4.33Å
16P93.4Very high94.2Very high113 Ų11398.7 Ų98.773%0.73446%0.464SS*.  trans-76.6-25.2-179.228.7-33.8000112.9
17K93.4Very high94.3Very high165 Ų16599.3 Ų99.372%0.71746%0.46SS*.SBendtrans-68150179.5-63.9-177.1178.7-172.50111.2H15H15-K17 PolarHBondContact CE1-O 3.22Å; H15-K17 PolarHBondContact ND1-O 3.39Å
18K94.4Very high94.4Very high159 Ų159101.2 Ų101.269%0.69147%0.466SS*.  trans-69.8156.5171.4-68.1179.8-178.61750110.3H20K18-H20 PolarHBondContact O-N 3.35Å
19W95.5Very high94.7Very high71 Ų71108.8 Ų108.827%0.26949%0.493SS..  trans-91.992.2174.7-61.2105.4000109.4H15 W34 R53 M54 P55 Y59H15-W19 HydrophobicContact CB-CH2 4.48Å; H15-W19 HydrophobicContact CB-CZ2 4.03Å; H15-W19 AromaticContact CD2-CH2 3.54Å; H15-W19 AromaticContact CD2-CZ2 3.89Å; H15-W19 AromaticContact CE1-CH2 3.82Å; H15-W19 AromaticContact CE1-CZ2 3.94Å; H15-W19 AromaticContact CE1-CZ3 3.89Å; H15-W19 AromaticContact CG-CH2 3.77Å; H15-W19 AromaticContact CG-CZ2 3.61Å; H15-W19 AromaticContact ND1-CE2 3.86Å; H15-W19 AromaticContact ND1-CH2 3.96Å; H15-W19 AromaticContact ND1-CZ2 3.67Å; H15-W19 AromaticContact NE2-CH2 3.6Å; H15-W19 AromaticContact NE2-CZ3 3.73Å; W19-W34 HydrophobicContact CB-CB 3.99Å; W19-W34 HydrophobicContact CB-CE3 4.45Å; W19-W34 HydrophobicContact CB-CG 4.35Å; W19-W34 PolarHBondContact O-N 2.94Å; W19-R53 HydrophobicContact CH2-CB 4.42Å; W19-R53 HydrophobicContact CZ3-CB 3.83Å; W19-R53 WeakPolarHBondContact CZ3-O 3.43Å; W19-M54 VanDerWaalsContact CZ3-C 3.47Å; W19-P55 HydrophobicContact CB-CG 4.21Å; W19-P55 HydrophobicContact CD2-CB 4.2Å; W19-P55 HydrophobicContact CD2-CG 3.6Å; W19-P55 HydrophobicContact CE3-CB 4.5Å; W19-P55 HydrophobicContact CE3-CG 3.8Å; W19-P55 HydrophobicContact CG-CG 3.79Å; W19-P55 HydrophobicContact CZ2-CB 4.44Å; W19-P55 HydrophobicContact CZ3-CG 4.44Å; W19-Y59 AromaticContact CH2-CD2 3.4Å; W19-Y59 HydrophobicContact CH2-CD2 3.4Å; W19-Y59 VanDerWaalsContact CH2-CD2 3.4Å; W19-Y59 AromaticContact CH2-CE2 3.45Å; W19-Y59 HydrophobicContact CH2-CE2 3.45Å; W19-Y59 VanDerWaalsContact CH2-CE2 3.45Å; W19-Y59 AromaticContact CH2-CG 3.98Å; W19-Y59 HydrophobicContact CH2-CG 3.98Å; W19-Y59 AromaticContact CZ2-CD2 3.64Å; W19-Y59 HydrophobicContact CZ2-CD2 3.64Å; W19-Y59 HydrophobicContact CZ2-CE2 4.18Å; W19-Y59 AromaticContact CZ2-CG 3.92Å; W19-Y59 HydrophobicContact CZ2-CG 3.92Å; W19-Y59 HydrophobicContact CZ3-CE2 4.36Å
20H94Very high94.7Very high85 Ų85109 Ų10939%0.39449%0.492SS..BIsolated β-bridgetrans-76.8145.2179-59.1-67.4000111.4K18 D32K18-H20 PolarHBondContact O-N 3.35Å; H20-D32 WeakPolarHBondContact CA-OD1 3.33Å; H20-D32 WeakPolarHBondContact CB-OD1 3.44Å; H20-D32 IonicContact CE1-OD1 3.84Å; H20-D32 IonicContact CE1-OD2 3.77Å; H20-D32 PolarHBondContact CE1-OD2 3.33Å; H20-D32 IonicContact CG-OD1 2.83Å; H20-D32 IonicContact ND1-OD1 3.54Å; H20-D32 PolarHBondContact ND1-OD1 2.98Å; H20-D32 IonicContact ND1-OD2 2.78Å; H20-D32 PolarHBondContact ND1-OD2 3.2Å
21R95.3Very high94.7Very high89 Ų89100.8 Ų100.834%0.33647%0.474SS..PPolyproline II helixtrans-70.8140.3172.5-176.3177.3-177.7174.4-1.3109.8H23 S24 G31 D32 R35R21-H23 PolarHBondContact O-N 3.38Å; R21-S24 WeakPolarHBondContact O-CB 3.33Å; R21-S24 PolarHBondContact O-N 3.23Å; R21-S24 PolarHBondContact O-OG 2.97Å; R21-G31 WeakPolarHBondContact CD-O 3.44Å; R21-D32 PolarHBondContact N-O 2.91Å; R21-R35 HydrophobicContact CG-CB 4.43Å
22H95Very high94.7Very high36 Ų36102 Ų10217%0.16748%0.481CS..THydrogen-bonded Turntrans-54.6129.3175-178-109000111.5S24 N42 V44H22-S24 PolarHBondContact O-N 3.29Å; H22-N42 PolarHBondContact CE1-ND2 3.43Å; H22-N42 PolarHBondContact ND1-ND2 2.93Å; H22-V44 HydrophobicContact CB-CG2 4.33Å; H22-V44 WeakPolarHBondContact CD2-CG2 3.2Å
23H94.5Very high94.7Very high77 Ų77104.5 Ų104.536%0.35649%0.488SS..THydrogen-bonded Turntrans62.516.3-176.1-58.2179.9000115.9R21 D25 L26 Y27 L30R21-H23 PolarHBondContact O-N 3.38Å; H23-D25 VanDerWaalsContact CA-OD1 3.3Å; H23-D25 WeakPolarHBondContact CA-OD1 3.35Å; H23-D25 PolarHBondContact O-N 3.2Å; H23-L26 HydrophobicContact CB-CB 4.46Å; H23-L26 HydrophobicContact CB-CD1 4.19Å; H23-L26 PolarHBondContact O-N 3.07Å; H23-Y27 HydrophobicContact CB-CD2 3.97Å; H23-Y27 HydrophobicContact CB-CE2 4.14Å; H23-Y27 PolarHBondContact O-N 3.4Å; H23-L30 HydrophobicContact CB-CD1 4.23Å
24S94.5Very high94.7Very high21 Ų21102.1 Ų102.115%0.14748%0.476CS..THydrogen-bonded Turntrans-67.8-24.3174.452.80000113.3R21 H22 D32R21-S24 WeakPolarHBondContact O-CB 3.33Å; R21-S24 PolarHBondContact O-N 3.23Å; R21-S24 PolarHBondContact O-OG 2.97Å; H22-S24 PolarHBondContact O-N 3.29Å; S24-D32 PolarHBondContact OG-OD1 3.03Å
25D93.6Very high94.7Very high134 Ų134103.5 Ų103.572%0.71748%0.478SS*.THydrogen-bonded Turntrans-68.9-30.4171.154.3-47.8000113H23H23-D25 VanDerWaalsContact CA-OD1 3.3Å; H23-D25 WeakPolarHBondContact CA-OD1 3.35Å; H23-D25 PolarHBondContact O-N 3.2Å
26L95.6Very high94.8Very high110 Ų110108.9 Ų108.958%0.57650%0.501SS*.THydrogen-bonded Turntrans-88.8-34.8-177.5-59.3177.7000113.2H23H23-L26 HydrophobicContact CB-CB 4.46Å; H23-L26 HydrophobicContact CB-CD1 4.19Å; H23-L26 PolarHBondContact O-N 3.07Å
27Y95.8Very high94.9Very high110 Ų110104.4 Ų104.443%0.43147%0.472SS..  trans-124113.1-172-58.7-73.8000112.3H23 R29 L30H23-Y27 HydrophobicContact CB-CD2 3.97Å; H23-Y27 HydrophobicContact CB-CE2 4.14Å; H23-Y27 PolarHBondContact O-N 3.4Å; Y27-R29 PolarHBondContact O-N 3.01Å; Y27-R29 VanDerWaalsContact O-N 3.11Å; Y27-L30 HydrophobicContact CD2-CD1 3.84Å; Y27-L30 HydrophobicContact CG-CD1 4.35Å; Y27-L30 WeakPolarHBondContact O-CB 3.31Å; Y27-L30 PolarHBondContact O-N 3.2Å
28K94.5Very high95.1Very high220 Ų220107.4 Ų107.496%0.95748%0.478SS*.THydrogen-bonded Turntrans-56.2-30.2176.4-66.5179.5-179.8177.60114.1L30K28-L30 PolarHBondContact O-N 3.31Å
29R96.4Very high95.2Very high212 Ų212102 Ų10280%0.847%0.467SS*.THydrogen-bonded Turntrans-66.3-21.1175.265.8178.4177.5-177.5-1113.5Y27Y27-R29 PolarHBondContact O-N 3.01Å; Y27-R29 VanDerWaalsContact O-N 3.11Å
30L94.3Very high95.2Very high41 Ų41104.2 Ų104.222%0.21548%0.483CS..SBendtrans-92.2107.7177.2-65.1179.7000109.2H23 Y27 K28H23-L30 HydrophobicContact CB-CD1 4.23Å; Y27-L30 HydrophobicContact CD2-CD1 3.84Å; Y27-L30 HydrophobicContact CG-CD1 4.35Å; Y27-L30 WeakPolarHBondContact O-CB 3.31Å; Y27-L30 PolarHBondContact O-N 3.2Å; K28-L30 PolarHBondContact O-N 3.31Å
31G93.7Very high95.3Very high44 Ų44105.6 Ų105.645%0.45449%0.494SS..  trans-61.4150.1171.700000112.8R21 K33R21-G31 WeakPolarHBondContact CD-O 3.44Å; G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 3.39Å
32D94.1Very high95.4Very high70 Ų70103 Ų10337%0.37449%0.486SS..SBendtrans-68.7-19.3-174.2-171.536.6000114.7H20 R21 S24 W34H20-D32 WeakPolarHBondContact CA-OD1 3.33Å; H20-D32 WeakPolarHBondContact CB-OD1 3.44Å; H20-D32 IonicContact CE1-OD1 3.84Å; H20-D32 IonicContact CE1-OD2 3.77Å; H20-D32 PolarHBondContact CE1-OD2 3.33Å; H20-D32 IonicContact CG-OD1 2.83Å; H20-D32 IonicContact ND1-OD1 3.54Å; H20-D32 PolarHBondContact ND1-OD1 2.98Å; H20-D32 IonicContact ND1-OD2 2.78Å; H20-D32 PolarHBondContact ND1-OD2 3.2Å; R21-D32 PolarHBondContact N-O 2.91Å; S24-D32 PolarHBondContact OG-OD1 3.03Å; D32-W34 PolarHBondContact O-N 2.9Å
33K95.5Very high95.4Very high163 Ų163108.5 Ų108.571%0.70951%0.506SS*.BIsolated β-bridgetrans-60.5126.7-176.3-63.9-177.6-178176.20111.3G31 R35G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 3.39Å; K33-R35 PolarHBondContact O-N 3.12Å
34W95.6Very high95.5Very high60 Ų60104.9 Ų104.923%0.22749%0.489CS..  trans-45.4132.6177.7178.2-105.1000113.6W19 D32 V44 M54 P55W19-W34 HydrophobicContact CB-CB 3.99Å; W19-W34 HydrophobicContact CB-CE3 4.45Å; W19-W34 HydrophobicContact CB-CG 4.35Å; W19-W34 PolarHBondContact O-N 2.94Å; D32-W34 PolarHBondContact O-N 2.9Å; W34-V44 HydrophobicContact CH2-CG1 4.16Å; W34-M54 HydrophobicContact CH2-CB 4.02Å; W34-M54 HydrophobicContact CH2-CG 3.64Å; W34-M54 HydrophobicContact CH2-SD 4.25Å; W34-M54 HydrophobicContact CZ2-CB 3.97Å; W34-M54 HydrophobicContact CZ2-CG 3.92Å; W34-M54 HydrophobicContact CZ2-SD 4.2Å; W34-P55 HydrophobicContact CD2-CG 3.81Å; W34-P55 HydrophobicContact CG-CG 3.89Å; W34-P55 HydrophobicContact CZ2-CG 4.32Å
35R96Very high95.6Very high150 Ų150108.6 Ų108.657%0.56650%0.5SS*.  trans-137.8131.5170.3-66-65.6-179.6-112.811.7108.2R21 K33 P37R21-R35 HydrophobicContact CG-CB 4.43Å; K33-R35 PolarHBondContact O-N 3.12Å; R35-P37 WeakPolarHBondContact O-CD 3.31Å
36K95.5Very high95.7Very high157 Ų157108 Ų10868%0.68349%0.487SS*.  trans-64.5119.9178.2-173.8177.7-179.3-176.90109R38K36-R38 PolarHBondContact O-N 3.36Å
37P96Very high95.7Very high18 Ų18112.4 Ų112.412%0.11750%0.496CS..  trans-64.7130.7176.425.6-32.5000110R35 N42 V44 R45 M54R35-P37 WeakPolarHBondContact O-CD 3.31Å; P37-N42 HydrophobicContact CB-CB 4.19Å; P37-N42 VanDerWaalsContact CB-CG 3.5Å; P37-N42 WeakPolarHBondContact CB-OD1 3.3Å; P37-V44 HydrophobicContact CG-CB 4.06Å; P37-V44 HydrophobicContact CG-CG1 3.92Å; P37-R45 HydrophobicContact CB-CB 4.25Å; P37-R45 HydrophobicContact CG-CB 3.99Å; P37-M54 HydrophobicContact CG-SD 4.27Å
38R97Very high95.7Very high229 Ų229111.7 Ų111.786%0.86450%0.496SS*.  trans-105.3-25.6-175.8-60.1-173.6-178.6-162.30113.8K36K36-R38 PolarHBondContact O-N 3.36Å
39G96.4Very high95.7Very high44 Ų44111.6 Ų111.645%0.45450%0.496SS..  trans-62141.8-175.600000113.7D41 N42 R45G39-D41 VanDerWaalsContact C-N 3.31Å; G39-D41 PolarHBondContact O-N 3.29Å; G39-N42 WeakPolarHBondContact O-CB 3.4Å; G39-N42 PolarHBondContact O-N 3.21Å; G39-R45 VanDerWaalsContact O-CD 3.29Å; G39-R45 WeakPolarHBondContact O-CD 3.43Å; G39-R45 PolarHBondContact O-NE 3.08Å
40I96.2Very high95.6Very high119 Ų119105.3 Ų105.361%0.6150%0.496SS*.THydrogen-bonded Turntrans-63.1-35.8-174.759.4172.2000112.2R45 R46I40-R45 PolarHBondContact O-NH2 3.35Å; I40-R46 VanDerWaalsContact O-CZ 3.22Å; I40-R46 PolarHBondContact O-NE 3.42Å; I40-R46 PolarHBondContact O-NH2 2.86Å
41D96.8Very high95.6Very high114 Ų114106.8 Ų106.861%0.6150%0.502SS*.THydrogen-bonded Turntrans-89.70.3-178.5-55.5-50.7000114.6G39 R43 R46G39-D41 VanDerWaalsContact C-N 3.31Å; G39-D41 PolarHBondContact O-N 3.29Å; D41-R43 PolarHBondContact O-N 3.29Å; D41-R46 IonicContact OD1-CZ 2.86Å; D41-R46 IonicContact OD1-NH2 3.36Å; D41-R46 PolarHBondContact OD1-NH2 2.97Å
42N96Very high95.6Very high34 Ų34108.3 Ų108.318%0.18250%0.502CS..  trans-67.8123.1-175.7-174.2-77.9000111.8H22 P37 G39 V44 R45 R46H22-N42 PolarHBondContact CE1-ND2 3.43Å; H22-N42 PolarHBondContact ND1-ND2 2.93Å; P37-N42 HydrophobicContact CB-CB 4.19Å; P37-N42 VanDerWaalsContact CB-CG 3.5Å; P37-N42 WeakPolarHBondContact CB-OD1 3.3Å; G39-N42 WeakPolarHBondContact O-CB 3.4Å; G39-N42 PolarHBondContact O-N 3.21Å; N42-V44 PolarHBondContact O-N 3.35Å; N42-V44 WeakPolarHBondContact OD1-CA 3.26Å; N42-V44 WeakPolarHBondContact OD1-CB 3.44Å; N42-V44 PolarHBondContact OD1-N 2.93Å; N42-R45 HydrophobicContact CB-CB 4.03Å; N42-R45 WeakPolarHBondContact O-CB 3.43Å; N42-R45 PolarHBondContact O-N 3.1Å; N42-R45 PolarHBondContact OD1-N 3.48Å; N42-R46 PolarHBondContact O-N 2.86Å; N42-R46 VanDerWaalsContact O-N 3.11Å
43R96.2Very high95.5Very high151 Ų151112.7 Ų112.757%0.5751%0.514SS*.THydrogen-bonded Turntrans-64.1-36.4-176.4-66.3-173.1178.6-1032.6113.8D41 R46 R47 F48 Q51D41-R43 PolarHBondContact O-N 3.29Å; R43-R46 PolarHBondContact O-N 3.34Å; R43-R47 PolarHBondContact O-N 3.41Å; R43-R47 VanDerWaalsContact O-N 3.13Å; R43-F48 HydrophobicContact CB-CD2 3.71Å; R43-F48 HydrophobicContact CB-CE2 4.44Å; R43-F48 HydrophobicContact CG-CD2 3.8Å; R43-F48 HydrophobicContact CG-CE2 4.16Å; R43-F48 PolarHBondContact O-N 3.19Å; R43-Q51 HydrophobicContact CB-CG 3.95Å
44V96.3Very high95.5Very high2 Ų2106.6 Ų106.61%0.01249%0.488CS..THydrogen-bonded Turntrans-67.5-41.3175.31770000111H22 W34 P37 N42 R46 R47 Q51 V52 M54H22-V44 HydrophobicContact CB-CG2 4.33Å; H22-V44 WeakPolarHBondContact CD2-CG2 3.2Å; W34-V44 HydrophobicContact CH2-CG1 4.16Å; P37-V44 HydrophobicContact CG-CB 4.06Å; P37-V44 HydrophobicContact CG-CG1 3.92Å; N42-V44 PolarHBondContact O-N 3.35Å; N42-V44 WeakPolarHBondContact OD1-CA 3.26Å; N42-V44 WeakPolarHBondContact OD1-CB 3.44Å; N42-V44 PolarHBondContact OD1-N 2.93Å; V44-R46 VanDerWaalsContact C-N 3.34Å; V44-R46 PolarHBondContact O-N 3.2Å; V44-R47 PolarHBondContact O-N 2.87Å; V44-R47 VanDerWaalsContact O-N 3.11Å; V44-Q51 HydrophobicContact CG2-CB 4.1Å; V44-V52 HydrophobicContact CB-CG2 4.49Å; V44-V52 HydrophobicContact CG1-CG2 4.1Å; V44-V52 HydrophobicContact CG2-CG2 3.5Å; V44-V52 VanDerWaalsContact CG2-CG2 3.5Å; V44-M54 HydrophobicContact CG1-CG 3.66Å; V44-M54 HydrophobicContact CG1-SD 4.11Å; V44-M54 WeakPolarHBondContact O-CE 3.4Å
45R96.6Very high95.5Very high99 Ų99106.2 Ų106.237%0.37449%0.493SS..THydrogen-bonded Turntrans-59.5-45.7176.4-170.9-171.771.385.21.8111.1P37 G39 I40 N42 R47P37-R45 HydrophobicContact CB-CB 4.25Å; P37-R45 HydrophobicContact CG-CB 3.99Å; G39-R45 VanDerWaalsContact O-CD 3.29Å; G39-R45 WeakPolarHBondContact O-CD 3.43Å; G39-R45 PolarHBondContact O-NE 3.08Å; I40-R45 PolarHBondContact O-NH2 3.35Å; N42-R45 HydrophobicContact CB-CB 4.03Å; N42-R45 WeakPolarHBondContact O-CB 3.43Å; N42-R45 PolarHBondContact O-N 3.1Å; N42-R45 PolarHBondContact OD1-N 3.48Å; R45-R47 PolarHBondContact O-N 2.99Å
46R96.4Very high95.5Very high120 Ų120105.4 Ų105.445%0.45349%0.494SS..THydrogen-bonded Turntrans-73.7-5.2177.9-64.3-174.7-175.1-176.34.5113.9I40 D41 N42 R43 V44 F48I40-R46 VanDerWaalsContact O-CZ 3.22Å; I40-R46 PolarHBondContact O-NE 3.42Å; I40-R46 PolarHBondContact O-NH2 2.86Å; D41-R46 IonicContact OD1-CZ 2.86Å; D41-R46 IonicContact OD1-NH2 3.36Å; D41-R46 PolarHBondContact OD1-NH2 2.97Å; N42-R46 PolarHBondContact O-N 2.86Å; N42-R46 VanDerWaalsContact O-N 3.11Å; R43-R46 PolarHBondContact O-N 3.34Å; V44-R46 VanDerWaalsContact C-N 3.34Å; V44-R46 PolarHBondContact O-N 3.2Å; R46-F48 HydrophobicContact CB-CD2 4.08Å; R46-F48 HydrophobicContact CB-CE2 3.88Å; R46-F48 HydrophobicContact CB-CZ 4.42Å; R46-F48 HydrophobicContact CG-CE2 4.45Å; R46-F48 PolarHBondContact O-N 2.93Å
47R94.7Very high95.5Very high203 Ų203106 Ų10677%0.76650%0.503SS*.THydrogen-bonded Turntrans59.937.3178.5-56.4177.1-179.6179.82.2114.4R43 V44 R45 M54R43-R47 PolarHBondContact O-N 3.41Å; R43-R47 VanDerWaalsContact O-N 3.13Å; V44-R47 PolarHBondContact O-N 2.87Å; V44-R47 VanDerWaalsContact O-N 3.11Å; R45-R47 PolarHBondContact O-N 2.99Å; R47-M54 HydrophobicContact CG-CE 3.66Å
48F95.9Very high95.5Very high96 Ų96107 Ų10742%0.42152%0.517SS..  trans-59.2144.9173.7-73.1-63.7000111.9R43 R46 Q51R43-F48 HydrophobicContact CB-CD2 3.71Å; R43-F48 HydrophobicContact CB-CE2 4.44Å; R43-F48 HydrophobicContact CG-CD2 3.8Å; R43-F48 HydrophobicContact CG-CE2 4.16Å; R43-F48 PolarHBondContact O-N 3.19Å; R46-F48 HydrophobicContact CB-CD2 4.08Å; R46-F48 HydrophobicContact CB-CE2 3.88Å; R46-F48 HydrophobicContact CB-CZ 4.42Å; R46-F48 HydrophobicContact CG-CE2 4.45Å; R46-F48 PolarHBondContact O-N 2.93Å; F48-Q51 HydrophobicContact CB-CG 4.12Å; F48-Q51 WeakPolarHBondContact O-CB 3.42Å; F48-Q51 PolarHBondContact O-N 3.36Å
49K95.1Very high95.5Very high218 Ų21898.5 Ų98.595%0.94849%0.485SS*.THydrogen-bonded Turntrans-58.6143.9174.5-173.4179.1176.5-175.60110.2Q51K49-Q51 VanDerWaalsContact C-N 3.27Å; K49-Q51 PolarHBondContact O-N 2.93Å
50G94Very high95.5Very high79 Ų7997.9 Ų97.981%0.81448%0.479SS*.THydrogen-bonded Turntrans84.7-12.7-179.200000115.1
51Q93.8Very high95.4Very high73 Ų7393.6 Ų93.634%0.34146%0.46SS..SBendtrans-81.7161.1176.9-61.9-60.1-46.200112.6R43 V44 F48 K49 R53R43-Q51 HydrophobicContact CB-CG 3.95Å; V44-Q51 HydrophobicContact CG2-CB 4.1Å; F48-Q51 HydrophobicContact CB-CG 4.12Å; F48-Q51 WeakPolarHBondContact O-CB 3.42Å; F48-Q51 PolarHBondContact O-N 3.36Å; K49-Q51 VanDerWaalsContact C-N 3.27Å; K49-Q51 PolarHBondContact O-N 2.93Å; Q51-R53 PolarHBondContact O-N 2.81Å
52V92.6Very high95.4Very high75 Ų7591 Ų9146%0.45545%0.453SS..PPolyproline II helixtrans-56.5135.5174.3-66.10000110.8V44V44-V52 HydrophobicContact CB-CG2 4.49Å; V44-V52 HydrophobicContact CG1-CG2 4.1Å; V44-V52 HydrophobicContact CG2-CG2 3.5Å; V44-V52 VanDerWaalsContact CG2-CG2 3.5Å
53R92.8Very high95.4Very high162 Ų16298 Ų9861%0.61148%0.483SS*.PPolyproline II helixtrans-70.2146.4-179.3-68.7175.7173.3-162.93.9109.9W19 Q51 Y59W19-R53 HydrophobicContact CH2-CB 4.42Å; W19-R53 HydrophobicContact CZ3-CB 3.83Å; W19-R53 WeakPolarHBondContact CZ3-O 3.43Å; Q51-R53 PolarHBondContact O-N 2.81Å; R53-Y59 WeakPolarHBondContact CD-OH 3.26Å
54M94.8Very high95.3Very high35 Ų3599.6 Ų99.617%0.17249%0.488CS..PPolyproline II helixtrans-91.2145.8171.5-59.4-159-83.500111.4W19 W34 P37 V44 R47 K56 Y59W19-M54 VanDerWaalsContact CZ3-C 3.47Å; W34-M54 HydrophobicContact CH2-CB 4.02Å; W34-M54 HydrophobicContact CH2-CG 3.64Å; W34-M54 HydrophobicContact CH2-SD 4.25Å; W34-M54 HydrophobicContact CZ2-CB 3.97Å; W34-M54 HydrophobicContact CZ2-CG 3.92Å; W34-M54 HydrophobicContact CZ2-SD 4.2Å; P37-M54 HydrophobicContact CG-SD 4.27Å; V44-M54 HydrophobicContact CG1-CG 3.66Å; V44-M54 HydrophobicContact CG1-SD 4.11Å; V44-M54 WeakPolarHBondContact O-CE 3.4Å; R47-M54 HydrophobicContact CG-CE 3.66Å; M54-K56 PolarHBondContact O-N 3.3Å; M54-Y59 WeakPolarHBondContact O-CE2 3.17Å
55P96.7Very high95.2Very high52 Ų5299.7 Ų99.734%0.33849%0.489SS..PPolyproline II helixtrans-58.3134.1169.2-18.429.2000111W19 W34W19-P55 HydrophobicContact CB-CG 4.21Å; W19-P55 HydrophobicContact CD2-CB 4.2Å; W19-P55 HydrophobicContact CD2-CG 3.6Å; W19-P55 HydrophobicContact CE3-CB 4.5Å; W19-P55 HydrophobicContact CE3-CG 3.8Å; W19-P55 HydrophobicContact CG-CG 3.79Å; W19-P55 HydrophobicContact CZ2-CB 4.44Å; W19-P55 HydrophobicContact CZ3-CG 4.44Å; W34-P55 HydrophobicContact CD2-CG 3.81Å; W34-P55 HydrophobicContact CG-CG 3.89Å; W34-P55 HydrophobicContact CZ2-CG 4.32Å
56K95.6Very high95.1Very high133 Ų133100 Ų10058%0.57849%0.49SS*.  trans-142.7158.1172.560.9175.9-179.7178.90109.5M54 G58 Y59M54-K56 PolarHBondContact O-N 3.3Å; K56-G58 PolarHBondContact O-N 2.93Å; K56-G58 VanDerWaalsContact O-N 3.09Å; K56-Y59 HydrophobicContact CB-CD2 4.42Å; K56-Y59 HydrophobicContact CD-CD2 4.35Å; K56-Y59 HydrophobicContact CD-CE2 3.98Å; K56-Y59 HydrophobicContact CG-CD2 3.4Å; K56-Y59 HydrophobicContact CG-CE2 3.43Å; K56-Y59 VanDerWaalsContact CG-CE2 3.43Å; K56-Y59 HydrophobicContact CG-CG 4.35Å; K56-Y59 PolarHBondContact O-N 2.89Å
57I96.6Very high95Very high170 Ų170101.4 Ų101.487%0.87250%0.502SS*.G310 helixtrans-54.8-31.1179.9-168164.8000113.2Y59 G60I57-Y59 PolarHBondContact O-N 2.98Å; I57-G60 PolarHBondContact O-N 2.87Å
58G96.1Very high95.1Very high40 Ų4092.6 Ų92.641%0.41247%0.47SS..G310 helixtrans-61.1-24.817800000115.2K14 K56 G60K14-G58 WeakPolarHBondContact CD-O 3.46Å; K14-G58 PolarHBondContact NZ-O 2.91Å; K56-G58 PolarHBondContact O-N 2.93Å; K56-G58 VanDerWaalsContact O-N 3.09Å; G58-G60 PolarHBondContact O-N 2.98Å
59Y96.9Very high95Very high49 Ų4991.8 Ų91.819%0.19247%0.467CS..G310 helixtrans-79-4.5174.4-64.2-63.1000113.3H15 W19 R53 M54 K56 I57 S61H15-Y59 HydrophobicContact CB-CD1 3.97Å; H15-Y59 HydrophobicContact CB-CG 4.33Å; W19-Y59 AromaticContact CH2-CD2 3.4Å; W19-Y59 HydrophobicContact CH2-CD2 3.4Å; W19-Y59 VanDerWaalsContact CH2-CD2 3.4Å; W19-Y59 AromaticContact CH2-CE2 3.45Å; W19-Y59 HydrophobicContact CH2-CE2 3.45Å; W19-Y59 VanDerWaalsContact CH2-CE2 3.45Å; W19-Y59 AromaticContact CH2-CG 3.98Å; W19-Y59 HydrophobicContact CH2-CG 3.98Å; W19-Y59 AromaticContact CZ2-CD2 3.64Å; W19-Y59 HydrophobicContact CZ2-CD2 3.64Å; W19-Y59 HydrophobicContact CZ2-CE2 4.18Å; W19-Y59 AromaticContact CZ2-CG 3.92Å; W19-Y59 HydrophobicContact CZ2-CG 3.92Å; W19-Y59 HydrophobicContact CZ3-CE2 4.36Å; R53-Y59 WeakPolarHBondContact CD-OH 3.26Å; M54-Y59 WeakPolarHBondContact O-CE2 3.17Å; K56-Y59 HydrophobicContact CB-CD2 4.42Å; K56-Y59 HydrophobicContact CD-CD2 4.35Å; K56-Y59 HydrophobicContact CD-CE2 3.98Å; K56-Y59 HydrophobicContact CG-CD2 3.4Å; K56-Y59 HydrophobicContact CG-CE2 3.43Å; K56-Y59 VanDerWaalsContact CG-CE2 3.43Å; K56-Y59 HydrophobicContact CG-CG 4.35Å; K56-Y59 PolarHBondContact O-N 2.89Å; I57-Y59 PolarHBondContact O-N 2.98Å; Y59-S61 PolarHBondContact O-N 3.38Å
60G95Very high94.9Very high32 Ų3286.8 Ų86.833%0.3346%0.457SS..PPolyproline II helixtrans-58.1135.6177.700000112.4K14 I57 G58K14-G60 WeakPolarHBondContact CD-O 3.46Å; K14-G60 VanDerWaalsContact CE-O 3.26Å; K14-G60 WeakPolarHBondContact CE-O 3.16Å; K14-G60 PolarHBondContact NZ-O 3.07Å; I57-G60 PolarHBondContact O-N 2.87Å; G58-G60 PolarHBondContact O-N 2.98Å
61S95.1Very high94.9Very high29 Ų2984.6 Ų84.620%0.20343%0.427CS..PPolyproline II helixtrans-65.3152.817253.10000111.3Y59 R66Y59-S61 PolarHBondContact O-N 3.38Å; S61-R66 PolarHBondContact O-NH2 3.03Å
62A96Very high94.9Very high58 Ų5881.5 Ų81.548%0.47941%0.414SS..PPolyproline II helixtrans-55.1140.8176.100000110.4R64 T65 R66A62-R64 PolarHBondContact O-N 3.09Å; A62-T65 PolarHBondContact O-N 2.95Å; A62-T65 VanDerWaalsContact O-N 3.15Å; A62-T65 PolarHBondContact O-OG1 2.83Å; A62-R66 PolarHBondContact O-N 2.98Å; A62-R66 VanDerWaalsContact O-N 3.14Å
63K95.6Very high95Very high182 Ų18277.9 Ų77.979%0.79139%0.392SS*.G310 helixtrans-54.9-41.1-175.8-68.3-175.7-175-179.10111.8T65 R66K63-T65 PolarHBondContact O-N 3.3Å; K63-R66 WeakPolarHBondContact O-CB 3.5Å; K63-R66 PolarHBondContact O-N 2.68Å
64R94.2Very high95.2Very high184 Ų18474.2 Ų74.269%0.69438%0.381SS*.G310 helixtrans-63.7-36.2-179.6-65.4-177.768.9-168.41.1114P9 A62 I68P9-R64 HydrophobicContact CG-CB 4.03Å; A62-R64 PolarHBondContact O-N 3.09Å; R64-I68 WeakPolarHBondContact O-CD1 3.38Å
65T95.1Very high95.2Very high5 Ų575.7 Ų75.73%0.03139%0.387CS..G310 helixtrans-983.2-177.259.50000113.2P9 A62 K63 H67 I68P9-T65 HydrophobicContact CB-CG2 4.38Å; P9-T65 HydrophobicContact CG-CG2 3.78Å; A62-T65 PolarHBondContact O-N 2.95Å; A62-T65 VanDerWaalsContact O-N 3.15Å; A62-T65 PolarHBondContact O-OG1 2.83Å; K63-T65 PolarHBondContact O-N 3.3Å; T65-H67 PolarHBondContact O-N 3.19Å; T65-I68 PolarHBondContact O-N 3.13Å
66R94.5Very high95.2Very high105 Ų10575.6 Ų75.640%0.39639%0.385SS..THydrogen-bonded Turntrans-68.5135.2-177.1-162.3-177-72.1165.4-3.4109.3S61 A62 K63 I68S61-R66 PolarHBondContact O-NH2 3.03Å; A62-R66 PolarHBondContact O-N 2.98Å; A62-R66 VanDerWaalsContact O-N 3.14Å; K63-R66 WeakPolarHBondContact O-CB 3.5Å; K63-R66 PolarHBondContact O-N 2.68Å; R66-I68 PolarHBondContact O-N 3.14Å; R66-I68 VanDerWaalsContact O-N 3.13Å
67H94.8Very high95.2Very high150 Ų15073.1 Ų73.169%0.69438%0.381SS*.THydrogen-bonded Turntrans62.78.7-178.3-47.8-68.2000116.1T65T65-H67 PolarHBondContact O-N 3.19Å
68I95.5Very high95.2Very high17 Ų1765 Ų659%0.08734%0.34CS..BIsolated β-bridgetrans-77.9126.9169.1-55.8-173000108.3H8 I11 R64 T65 R66 K74H8-I68 HydrophobicContact CB-CD1 3.99Å; I11-I68 HydrophobicContact CD1-CB 4.23Å; I11-I68 HydrophobicContact CD1-CG2 3.76Å; I11-I68 HydrophobicContact CG1-CG2 4.49Å; R64-I68 WeakPolarHBondContact O-CD1 3.38Å; T65-I68 PolarHBondContact O-N 3.13Å; R66-I68 PolarHBondContact O-N 3.14Å; R66-I68 VanDerWaalsContact O-N 3.13Å; I68-K74 HydrophobicContact CG1-CG 4.18Å
69H94.4Very high95.1Very high79 Ų7970 Ų7037%0.36635%0.346SS..  trans-80.2155.1173.9-179.8-88.6000109.8D71 G72 F73 H75H69-D71 VanDerWaalsContact CB-OD1 3.26Å; H69-D71 WeakPolarHBondContact CB-OD1 3.34Å; H69-D71 IonicContact CG-OD1 2.66Å; H69-D71 PolarHBondContact ND1-N 2.82Å; H69-D71 IonicContact ND1-OD1 3.68Å; H69-D71 PolarHBondContact ND1-OD1 3.02Å; H69-D71 IonicContact ND1-OD2 3.41Å; H69-D71 PolarHBondContact O-N 3.05Å; H69-G72 PolarHBondContact O-N 2.93Å; H69-F73 WeakPolarHBondContact CB-O 3.45Å; H69-F73 PolarHBondContact N-O 3.45Å; H69-H75 WeakPolarHBondContact CB-NE2 3.34Å; H69-H75 AromaticContact CD2-CE1 3.31Å; H69-H75 PolarHBondContact CD2-CE1 2.86Å; H69-H75 AromaticContact CD2-ND1 3.83Å; H69-H75 AromaticContact CD2-NE2 3.97Å; H69-H75 AromaticContact CE1-CE1 3.72Å; H69-H75 AromaticContact CG-CE1 3.18Å; H69-H75 AromaticContact CG-ND1 3.91Å; H69-H75 AromaticContact CG-NE2 3.36Å; H69-H75 AromaticContact ND1-CE1 3.43Å; H69-H75 PolarHBondContact ND1-CE1 3.26Å; H69-H75 AromaticContact ND1-NE2 3.45Å; H69-H75 PolarHBondContact ND1-NE2 3.47Å; H69-H75 AromaticContact NE2-CE1 3.68Å
70P93.3Very high95Very high114 Ų11470.9 Ų70.974%0.7435%0.354SS*.THydrogen-bonded Turntrans-56.1-17-179.6-29.636.9000116.2G72P70-G72 PolarHBondContact O-N 3.43Å
71D93Very high95Very high33 Ų3371.7 Ų71.718%0.17635%0.352CS..THydrogen-bonded Turntrans-77.3-2.1172.667.5-12.6000113.6H69 F73 H75 R120H69-D71 VanDerWaalsContact CB-OD1 3.26Å; H69-D71 WeakPolarHBondContact CB-OD1 3.34Å; H69-D71 IonicContact CG-OD1 2.66Å; H69-D71 PolarHBondContact ND1-N 2.82Å; H69-D71 IonicContact ND1-OD1 3.68Å; H69-D71 PolarHBondContact ND1-OD1 3.02Å; H69-D71 IonicContact ND1-OD2 3.41Å; H69-D71 PolarHBondContact O-N 3.05Å; D71-F73 WeakPolarHBondContact O-CD2 3.41Å; D71-F73 PolarHBondContact OD1-N 3.31Å; D71-H75 IonicContact OD1-NE2 3.79Å; D71-H75 PolarHBondContact OD1-NE2 3.07Å; D71-H75 IonicContact OD2-CD2 2.98Å; D71-H75 IonicContact OD2-CE1 3.36Å; D71-H75 IonicContact OD2-NE2 3.48Å; D71-H75 PolarHBondContact OD2-NE2 3.27Å; D71-R120 IonicContact OD2-NE 3.83Å; D71-R120 IonicContact OD2-NH2 3.92Å
72G94.2Very high95Very high7 Ų778.3 Ų78.37%0.07238%0.377CS..SBendtrans88-1.4177.100000115.1H8 H69 P70H8-G72 VanDerWaalsContact NE2-CA 3.3Å; H8-G72 WeakPolarHBondContact NE2-CA 3.41Å; H69-G72 PolarHBondContact O-N 2.93Å; P70-G72 PolarHBondContact O-N 3.43Å
73F95.7Very high94.9Very high0 Ų078.4 Ų78.40%037%0.368CS..SBendtrans-103.1158.3178.8-65.5-89.9000111.9I3 P5 H69 D71 A95 R120I3-F73 HydrophobicContact CG2-CE1 4.48Å; I3-F73 HydrophobicContact CG2-CZ 4.25Å; P5-F73 HydrophobicContact CB-CD1 4.29Å; P5-F73 HydrophobicContact CB-CD2 4.04Å; P5-F73 HydrophobicContact CB-CE1 4.04Å; P5-F73 HydrophobicContact CB-CE2 3.75Å; P5-F73 HydrophobicContact CB-CG 4.31Å; P5-F73 HydrophobicContact CB-CZ 3.77Å; P5-F73 HydrophobicContact CG-CD2 4.48Å; P5-F73 HydrophobicContact CG-CE2 4.01Å; P5-F73 HydrophobicContact CG-CZ 4.33Å; P5-F73 VanDerWaalsContact N-CZ 3.31Å; H69-F73 WeakPolarHBondContact CB-O 3.45Å; H69-F73 PolarHBondContact N-O 3.45Å; D71-F73 WeakPolarHBondContact O-CD2 3.41Å; D71-F73 PolarHBondContact OD1-N 3.31Å; F73-A95 HydrophobicContact CB-CB 3.57Å; F73-A95 HydrophobicContact CD1-CB 4.17Å; F73-A95 HydrophobicContact CD2-CB 4.41Å; F73-A95 HydrophobicContact CG-CB 3.82Å; F73-R120 HydrophobicContact CZ-CB 4.49Å
74K95.6Very high94.9Very high85 Ų8569.7 Ų69.737%0.3733%0.33SS..EExtended strand (participates in β ladder)trans-88.9120.9161.3-69.7177.9-177.9174.80108.8I68 T93 H94 A95I68-K74 HydrophobicContact CG1-CG 4.18Å; K74-T93 PolarHBondContact N-O 2.83Å; K74-H94 VanDerWaalsContact CB-CD2 3.44Å; K74-H94 WeakPolarHBondContact CB-CD2 3.35Å; K74-H94 CarbonylContact O-C 3.58Å; K74-H94 WeakPolarHBondContact O-CA 3.34Å; K74-A95 PolarHBondContact O-N 2.92Å
75H96.2Very high94.8Very high66 Ų6665.3 Ų65.331%0.30632%0.318SS..EExtended strand (participates in β ladder)trans-77.3128-178.8-69.9-175.6000110.8H69 D71 A95 V97H69-H75 WeakPolarHBondContact CB-NE2 3.34Å; H69-H75 AromaticContact CD2-CE1 3.31Å; H69-H75 PolarHBondContact CD2-CE1 2.86Å; H69-H75 AromaticContact CD2-ND1 3.83Å; H69-H75 AromaticContact CD2-NE2 3.97Å; H69-H75 AromaticContact CE1-CE1 3.72Å; H69-H75 AromaticContact CG-CE1 3.18Å; H69-H75 AromaticContact CG-ND1 3.91Å; H69-H75 AromaticContact CG-NE2 3.36Å; H69-H75 AromaticContact ND1-CE1 3.43Å; H69-H75 PolarHBondContact ND1-CE1 3.26Å; H69-H75 AromaticContact ND1-NE2 3.45Å; H69-H75 PolarHBondContact ND1-NE2 3.47Å; H69-H75 AromaticContact NE2-CE1 3.68Å; D71-H75 IonicContact OD1-NE2 3.79Å; D71-H75 PolarHBondContact OD1-NE2 3.07Å; D71-H75 IonicContact OD2-CD2 2.98Å; D71-H75 IonicContact OD2-CE1 3.36Å; D71-H75 IonicContact OD2-NE2 3.48Å; D71-H75 PolarHBondContact OD2-NE2 3.27Å; H75-A95 WeakPolarHBondContact CA-O 3.17Å; H75-V97 HydrophobicContact CB-CG2 3.78Å
76V96Very high94.6Very high50 Ų5070.4 Ų70.430%0.30335%0.348SS..EExtended strand (participates in β ladder)trans-117.6126.1176.3-179.40000108.4L87 H94 A95 A96 V97V76-L87 HydrophobicContact CB-CD1 4.39Å; V76-L87 HydrophobicContact CB-CD2 4.3Å; V76-L87 HydrophobicContact CG1-CD2 4.37Å; V76-L87 HydrophobicContact CG2-CD2 4.09Å; V76-H94 HydrophobicContact CG2-CB 4.01Å; V76-H94 VanDerWaalsContact CG2-CD2 3.47Å; V76-H94 WeakPolarHBondContact CG2-CD2 3.44Å; V76-A95 PolarHBondContact N-O 3.49Å; V76-A96 CarbonylContact O-C 3.53Å; V76-V97 PolarHBondContact O-N 3.48Å
77V96.2Very high94.6Very high80 Ų8065.7 Ų65.749%0.48533%0.331SS..EExtended strand (participates in β ladder)trans-80.1127.4178.51800000109.4V97 A99V77-V97 CarbonylContact C-O 3.56Å; V77-V97 VanDerWaalsContact CA-O 3.29Å; V77-V97 WeakPolarHBondContact CA-O 3.26Å; V77-A99 HydrophobicContact CG1-CB 3.74Å
78I95.6Very high94.4Very high1 Ų162.7 Ų62.71%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-120136.9-176.3-57.4-171.4000110.3N80 E83 L84 L87 A96 V97 A99I78-N80 WeakPolarHBondContact CG2-O 3.48Å; I78-E83 WeakPolarHBondContact CA-OE2 3.45Å; I78-E83 HydrophobicContact CG2-CB 3.73Å; I78-L84 HydrophobicContact CD1-CD1 4.26Å; I78-L84 HydrophobicContact CD1-CG 3.82Å; I78-L84 HydrophobicContact CG2-CD1 3.64Å; I78-L84 HydrophobicContact CG2-CG 4.29Å; I78-L87 HydrophobicContact CD1-CD1 3.65Å; I78-L87 HydrophobicContact CD1-CG 4.47Å; I78-A96 HydrophobicContact CD1-CB 3.33Å; I78-A96 HydrophobicContact CG1-CB 4.17Å; I78-V97 PolarHBondContact N-O 3.39Å; I78-A99 PolarHBondContact O-N 3.14Å
79R95.3Very high94.2Very high145 Ų14570.9 Ų70.955%0.54736%0.36SS..  trans-109-28.7179.5-64.3179.1179.679.8-2114.2E83 A99 V102R79-E83 PolarHBondContact N-OE2 3.13Å; R79-A99 HydrophobicContact CG-CB 3.99Å; R79-V102 WeakPolarHBondContact O-CG2 3.37Å
80N94.2Very high94.2Very high67 Ų6771.6 Ų71.636%0.35836%0.363SS..SBendtrans-143.5173.6-174.66255.9000111.2I78 K82 E83 L84I78-N80 WeakPolarHBondContact CG2-O 3.48Å; N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 WeakPolarHBondContact OD1-CB 3.47Å; N80-K82 PolarHBondContact OD1-N 2.85Å; N80-E83 PolarHBondContact ND2-OE1 3.25Å; N80-E83 PolarHBondContact OD1-N 2.84Å; N80-L84 WeakPolarHBondContact O-CD1 3.17Å
81V94.9Very high94.1Very high48 Ų4868.9 Ų68.929%0.29134%0.34SS..SBendtrans-67.4-34.5-177.4-1760000112.3E83 L84 K109 I110 R113V81-E83 VanDerWaalsContact C-N 3.33Å; V81-E83 PolarHBondContact O-N 2.78Å; V81-L84 WeakPolarHBondContact O-CB 3.39Å; V81-L84 PolarHBondContact O-N 3.5Å; V81-L84 VanDerWaalsContact O-N 3.13Å; V81-K109 HydrophobicContact CG2-CB 4.22Å; V81-I110 HydrophobicContact CG2-CG1 4.03Å; V81-R113 HydrophobicContact CG1-CB 3.84Å; V81-R113 HydrophobicContact CG1-CG 3.61Å
82K94.6Very high94.1Very high168 Ų16871.7 Ų71.773%0.7335%0.349SS*.Hα-helixtrans-64.3-38.1-179.5-62.6-176.3175.4-174.80111.9N80 L84 E85N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 WeakPolarHBondContact OD1-CB 3.47Å; N80-K82 PolarHBondContact OD1-N 2.85Å; K82-L84 PolarHBondContact O-N 3.06Å; K82-E85 WeakPolarHBondContact O-CB 3.43Å; K82-E85 PolarHBondContact O-N 3.43Å; K82-E85 VanDerWaalsContact O-N 3.09Å
83E94.5Very high94.1Very high60 Ų6073.7 Ų73.728%0.2836%0.36SS..Hα-helixtrans-64.8-20.4176.5-77.1172.4-147.600113.3I78 R79 N80 V81 E85I78-E83 WeakPolarHBondContact CA-OE2 3.45Å; I78-E83 HydrophobicContact CG2-CB 3.73Å; R79-E83 PolarHBondContact N-OE2 3.13Å; N80-E83 PolarHBondContact ND2-OE1 3.25Å; N80-E83 PolarHBondContact OD1-N 2.84Å; V81-E83 VanDerWaalsContact C-N 3.33Å; V81-E83 PolarHBondContact O-N 2.78Å; E83-E85 VanDerWaalsContact C-N 3.33Å
84L94.2Very high94.1Very high0 Ų075.2 Ų75.20%037%0.367CS..Hα-helixtrans-68.8-32.8171.6-82.595.2000112.5I78 N80 V81 K82 V86 L87 I110 A114 L117 I119I78-L84 HydrophobicContact CD1-CD1 4.26Å; I78-L84 HydrophobicContact CD1-CG 3.82Å; I78-L84 HydrophobicContact CG2-CD1 3.64Å; I78-L84 HydrophobicContact CG2-CG 4.29Å; N80-L84 WeakPolarHBondContact O-CD1 3.17Å; V81-L84 WeakPolarHBondContact O-CB 3.39Å; V81-L84 PolarHBondContact O-N 3.5Å; V81-L84 VanDerWaalsContact O-N 3.13Å; K82-L84 PolarHBondContact O-N 3.06Å; L84-V86 PolarHBondContact O-N 3.43Å; L84-L87 WeakPolarHBondContact O-CB 3.44Å; L84-L87 PolarHBondContact O-N 3.23Å; L84-I110 HydrophobicContact CD1-CB 4.29Å; L84-I110 HydrophobicContact CD1-CG1 4.13Å; L84-I110 HydrophobicContact CD1-CG2 3.68Å; L84-I110 HydrophobicContact CD2-CG2 4.39Å; L84-A114 HydrophobicContact CD2-CB 3.44Å; L84-A114 VanDerWaalsContact CD2-CB 3.44Å; L84-L117 HydrophobicContact CB-CD1 4.14Å; L84-I119 HydrophobicContact CB-CD1 4.24Å; L84-I119 HydrophobicContact CD2-CD1 4.34Å; L84-I119 VanDerWaalsContact O-CD1 3.26Å; L84-I119 WeakPolarHBondContact O-CD1 3.38Å
85E92.1Very high94.2Very high92 Ų9271.1 Ų71.143%0.4335%0.349SS..Hα-helixtrans-67.3-28.6-174.1-58.9-174.4153.600111.2K82 E83 L87 L88 R113 L117K82-E85 WeakPolarHBondContact O-CB 3.43Å; K82-E85 PolarHBondContact O-N 3.43Å; K82-E85 VanDerWaalsContact O-N 3.09Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.13Å; E85-L88 WeakPolarHBondContact O-CB 3.47Å; E85-L88 PolarHBondContact O-N 3.45Å; E85-R113 IonicContact OE1-CZ 3.69Å; E85-R113 IonicContact OE1-NE 2.93Å; E85-R113 IonicContact OE1-NH2 3.92Å; E85-R113 PolarHBondContact OE1-NH2 3.2Å; E85-L117 HydrophobicContact CG-CD1 4.37Å
86V92.4Very high94.2Very high112 Ų11268 Ų6868%0.67933%0.334SS*.THydrogen-bonded Turntrans-58.7-29.7171.6-175.90000111.8L84 L88L84-V86 PolarHBondContact O-N 3.43Å; V86-L88 VanDerWaalsContact C-N 3.35Å
87L93.1Very high94.2Very high5 Ų567.1 Ų67.13%0.02633%0.329CS..THydrogen-bonded Turntrans-86-2.4179.2-59.8-173.3000113.8V76 I78 L84 E85 M89 Q90 H91 H94 A96 I119V76-L87 HydrophobicContact CB-CD1 4.39Å; V76-L87 HydrophobicContact CB-CD2 4.3Å; V76-L87 HydrophobicContact CG1-CD2 4.37Å; V76-L87 HydrophobicContact CG2-CD2 4.09Å; I78-L87 HydrophobicContact CD1-CD1 3.65Å; I78-L87 HydrophobicContact CD1-CG 4.47Å; L84-L87 WeakPolarHBondContact O-CB 3.44Å; L84-L87 PolarHBondContact O-N 3.23Å; E85-L87 PolarHBondContact O-N 3.13Å; L87-M89 PolarHBondContact O-N 3.2Å; L87-Q90 CarbonylContact O-C 3.55Å; L87-Q90 VanDerWaalsContact O-C 3.32Å; L87-Q90 PolarHBondContact O-N 3.27Å; L87-H91 WeakPolarHBondContact O-CA 3.29Å; L87-H91 PolarHBondContact O-N 3.24Å; L87-H94 HydrophobicContact CD2-CB 3.89Å; L87-A96 HydrophobicContact CD1-CB 4.16Å; L87-I119 HydrophobicContact CB-CD1 3.91Å; L87-I119 HydrophobicContact CB-CG1 4.42Å; L87-I119 HydrophobicContact CD1-CG2 4.16Å
88L91.6Very high94.2Very high88 Ų8863.5 Ų63.546%0.46131%0.307SS..G310 helixtrans-56.4-49.7-176179.556.9000112E85 V86 Q90 H91 L117E85-L88 WeakPolarHBondContact O-CB 3.47Å; E85-L88 PolarHBondContact O-N 3.45Å; V86-L88 VanDerWaalsContact C-N 3.35Å; L88-Q90 PolarHBondContact O-N 3.15Å; L88-H91 PolarHBondContact O-CD2 3.29Å; L88-L117 HydrophobicContact CD1-CB 4.42Å; L88-L117 HydrophobicContact CD1-CD2 4.01Å
89M91.7Very high94.2Very high189 Ų18964 Ų6493%0.93131%0.311SS*.G310 helixtrans-72.3-17.1178.2-65.1-174.6176.200113.2L87L87-M89 PolarHBondContact O-N 3.2Å
90Q92.8Very high94.1Very high93 Ų9366 Ų6644%0.43533%0.326SS..G310 helixtrans-118.116-170.2-62.9-175.3-3.700113.2L87 L88 R92 T93 H94L87-Q90 CarbonylContact O-C 3.55Å; L87-Q90 VanDerWaalsContact O-C 3.32Å; L87-Q90 PolarHBondContact O-N 3.27Å; L88-Q90 PolarHBondContact O-N 3.15Å; Q90-R92 PolarHBondContact O-N 3.27Å; Q90-T93 PolarHBondContact O-N 2.89Å; Q90-T93 PolarHBondContact O-OG1 3.16Å; Q90-H94 PolarHBondContact O-N 3.29Å; Q90-H94 PolarHBondContact OE1-CE1 3.05Å; Q90-H94 PolarHBondContact OE1-ND1 2.78Å
91H91.9Very high94.1Very high57 Ų5768.4 Ų68.426%0.26434%0.344SS..THydrogen-bonded Turntrans-62.1-18.1-172.173.5107.7000114.4L87 L88 S118 I119L87-H91 WeakPolarHBondContact O-CA 3.29Å; L87-H91 PolarHBondContact O-N 3.24Å; L88-H91 PolarHBondContact O-CD2 3.29Å; H91-S118 PolarHBondContact ND1-O 3.19Å; H91-I119 HydrophobicContact CB-CG1 3.93Å
92R93.8Very high94.1Very high92 Ų9266.8 Ų66.835%0.34733%0.334SS..THydrogen-bonded Turntrans-92.5-11174.7-56.3-69.7-72.5-161.6-2.4114.1R4 P5 L6 Q90R4-R92 PolarHBondContact O-NE 3.25Å; R4-R92 PolarHBondContact O-NH1 3.48Å; R4-R92 PolarHBondContact O-NH2 3.31Å; P5-R92 CarbonylContact C-O 3.56Å; P5-R92 WeakPolarHBondContact CA-O 3.38Å; L6-R92 HydrophobicContact CD1-CB 4.39Å; L6-R92 HydrophobicContact CD2-CB 3.89Å; L6-R92 HydrophobicContact CG-CB 3.69Å; L6-R92 PolarHBondContact N-O 3.32Å; Q90-R92 PolarHBondContact O-N 3.27Å
93T94.5Very high94Very high50 Ų5061.8 Ų61.831%0.30732%0.324SS..THydrogen-bonded Turntrans-110.5-30.8179.354.90000112.6L6 K74 Q90L6-T93 HydrophobicContact CD1-CG2 3.6Å; L6-T93 HydrophobicContact CG-CG2 4.18Å; K74-T93 PolarHBondContact N-O 2.83Å; Q90-T93 PolarHBondContact O-N 2.89Å; Q90-T93 PolarHBondContact O-OG1 3.16Å
94H95.6Very high93.9Very high31 Ų3165.8 Ų65.814%0.14434%0.336CS..EExtended strand (participates in β ladder)trans-116148.5-178.8-62.882.5000111.6K74 V76 L87 Q90K74-H94 VanDerWaalsContact CB-CD2 3.44Å; K74-H94 WeakPolarHBondContact CB-CD2 3.35Å; K74-H94 CarbonylContact O-C 3.58Å; K74-H94 WeakPolarHBondContact O-CA 3.34Å; V76-H94 HydrophobicContact CG2-CB 4.01Å; V76-H94 VanDerWaalsContact CG2-CD2 3.47Å; V76-H94 WeakPolarHBondContact CG2-CD2 3.44Å; L87-H94 HydrophobicContact CD2-CB 3.89Å; Q90-H94 PolarHBondContact O-N 3.29Å; Q90-H94 PolarHBondContact OE1-CE1 3.05Å; Q90-H94 PolarHBondContact OE1-ND1 2.78Å
95A96Very high93.7Very high0 Ų073.4 Ų73.40%037%0.369CS..EExtended strand (participates in β ladder)trans-120.6141.5171.400000109.3F73 K74 H75 V76 R120 V122F73-A95 HydrophobicContact CB-CB 3.57Å; F73-A95 HydrophobicContact CD1-CB 4.17Å; F73-A95 HydrophobicContact CD2-CB 4.41Å; F73-A95 HydrophobicContact CG-CB 3.82Å; K74-A95 PolarHBondContact O-N 2.92Å; H75-A95 WeakPolarHBondContact CA-O 3.17Å; V76-A95 PolarHBondContact N-O 3.49Å; A95-R120 CarbonylContact C-O 3.53Å; A95-R120 WeakPolarHBondContact CA-O 3.47Å; A95-R120 HydrophobicContact CB-CB 4.25Å; A95-R120 HydrophobicContact CB-CG 4.3Å; A95-V122 HydrophobicContact CB-CG2 3.88Å
96A96.5Very high93.8Very high0 Ų072.9 Ų72.90%037%0.369CS..EExtended strand (participates in β ladder)trans-78.2134.3177.800000111.1V76 I78 L87 I119 R120 V121 V122V76-A96 CarbonylContact O-C 3.53Å; I78-A96 HydrophobicContact CD1-CB 3.33Å; I78-A96 HydrophobicContact CG1-CB 4.17Å; L87-A96 HydrophobicContact CD1-CB 4.16Å; A96-I119 HydrophobicContact CB-CG2 3.99Å; A96-R120 PolarHBondContact N-O 3.34Å; A96-V121 HydrophobicContact CB-CG2 4.11Å; A96-V121 CarbonylContact O-C 3.32Å; A96-V121 WeakPolarHBondContact O-CA 3.45Å; A96-V122 PolarHBondContact O-N 3.2Å
97V96.5Very high93.9Very high32 Ų3268.2 Ų68.219%0.19434%0.34CS..EExtended strand (participates in β ladder)trans-119.2113.7168.1-178.50000107.5H75 V76 V77 I78 A99 V122H75-V97 HydrophobicContact CB-CG2 3.78Å; V76-V97 PolarHBondContact O-N 3.48Å; V77-V97 CarbonylContact C-O 3.56Å; V77-V97 VanDerWaalsContact CA-O 3.29Å; V77-V97 WeakPolarHBondContact CA-O 3.26Å; I78-V97 PolarHBondContact N-O 3.39Å; V97-A99 PolarHBondContact O-N 3.22Å; V97-V122 HydrophobicContact CG2-CB 4.07Å; V97-V122 HydrophobicContact CG2-CG2 3.91Å
98I96Very high93.9Very high3 Ų371 Ų712%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-69125.1178.3-51.7174.4000108.4V102 R107 I110 V111 V121 N123I98-V102 HydrophobicContact CG2-CB 3.87Å; I98-V102 HydrophobicContact CG2-CG1 4.18Å; I98-V102 HydrophobicContact CG2-CG2 3.96Å; I98-R107 HydrophobicContact CG2-CG 4.18Å; I98-I110 HydrophobicContact CD1-CB 4.46Å; I98-I110 HydrophobicContact CD1-CG2 3.78Å; I98-I110 HydrophobicContact CG1-CG2 3.83Å; I98-I110 HydrophobicContact CG2-CD1 4.24Å; I98-V111 HydrophobicContact CD1-CG2 3.86Å; I98-V121 HydrophobicContact CD1-CG1 3.87Å; I98-V121 HydrophobicContact CG1-CG1 3.81Å; I98-N123 PolarHBondContact N-OD1 3.4Å; I98-N123 PolarHBondContact O-ND2 2.97Å
99A96.1Very high94.1Very high11 Ų1172.1 Ų72.19%0.09136%0.358CS..  trans-58.4149.4179.400000112V77 I78 R79 V97 T101 V102 R107V77-A99 HydrophobicContact CG1-CB 3.74Å; I78-A99 PolarHBondContact O-N 3.14Å; R79-A99 HydrophobicContact CG-CB 3.99Å; V97-A99 PolarHBondContact O-N 3.22Å; A99-T101 PolarHBondContact O-N 3.17Å; A99-V102 HydrophobicContact CB-CG2 4.13Å; A99-V102 PolarHBondContact O-N 2.78Å; A99-R107 PolarHBondContact O-NH1 3.05Å
100H93.5Very high94.2Very high188 Ų18863.2 Ų63.287%0.8731%0.314SS*.THydrogen-bonded Turntrans-60.4-30.2179.6178.3-88000112.9V102H100-V102 PolarHBondContact O-N 3.48Å
101T94.3Very high94.3Very high118 Ų11859.7 Ų59.772%0.72430%0.299SS*.THydrogen-bonded Turntrans-75-7.2-17756.90000114.2A99 A103A99-T101 PolarHBondContact O-N 3.17Å; T101-A103 PolarHBondContact O-N 2.95Å
102V94.3Very high94.4Very high14 Ų1462.3 Ų62.39%0.08531%0.311CS..  trans-82.9118.5-175.2-176.20000110.5R79 I98 A99 H100 N106 R107 I110R79-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 HydrophobicContact CG2-CB 3.87Å; I98-V102 HydrophobicContact CG2-CG1 4.18Å; I98-V102 HydrophobicContact CG2-CG2 3.96Å; A99-V102 HydrophobicContact CB-CG2 4.13Å; A99-V102 PolarHBondContact O-N 2.78Å; H100-V102 PolarHBondContact O-N 3.48Å; V102-N106 HydrophobicContact CG1-CB 3.61Å; V102-R107 HydrophobicContact CB-CG 4.19Å; V102-R107 HydrophobicContact CG1-CG 3.82Å; V102-R107 WeakPolarHBondContact O-CD 3.37Å; V102-R107 WeakPolarHBondContact O-CG 3.18Å; V102-I110 HydrophobicContact CG1-CD1 3.96Å
103A92.4Very high94.5Very high62 Ų6261.5 Ų61.551%0.51231%0.308SS..  trans-63.9151.4177.300000113.2T101 K105 N106 R107T101-A103 PolarHBondContact O-N 2.95Å; A103-K105 VanDerWaalsContact C-N 3.31Å; A103-K105 PolarHBondContact O-N 3.43Å; A103-K105 VanDerWaalsContact O-N 3.14Å; A103-N106 PolarHBondContact O-N 3.04Å; A103-R107 WeakPolarHBondContact O-CG 3.41Å; A103-R107 PolarHBondContact O-N 3.48Å
104R91.5Very high94.5Very high145 Ų14559.2 Ų59.255%0.54729%0.294SS..Hα-helixtrans-45.4-48.3-176.9-173.5174.1-172.6-95.3-2113.8N106 R107 V108 G127 L128R104-N106 VanDerWaalsContact C-N 3.28Å; R104-N106 PolarHBondContact O-N 2.94Å; R104-R107 WeakPolarHBondContact O-CB 3.44Å; R104-R107 PolarHBondContact O-N 2.98Å; R104-V108 PolarHBondContact O-N 3.19Å; R104-V108 VanDerWaalsContact O-N 3.1Å; R104-G127 WeakPolarHBondContact CG-O 3.29Å; R104-L128 HydrophobicContact CG-CD2 3.9Å; R104-L128 PolarHBondContact NH2-O 2.86Å; R104-L128 VanDerWaalsContact NH2-O 3.08Å
105K91.9Very high94.4Very high159 Ų15965.4 Ų65.469%0.69132%0.321SS*.Hα-helixtrans-54.2-42.2178.8-177.1175.2-178.8176.10112.7A103A103-K105 VanDerWaalsContact C-N 3.31Å; A103-K105 PolarHBondContact O-N 3.43Å; A103-K105 VanDerWaalsContact O-N 3.14Å
106N93.2Very high94.3Very high81 Ų8171.1 Ų71.143%0.43335%0.347SS..Hα-helixtrans-78.8-30.6179.1-70-13.9000111.9V102 A103 R104 V108 K109 I110V102-N106 HydrophobicContact CG1-CB 3.61Å; A103-N106 PolarHBondContact O-N 3.04Å; R104-N106 VanDerWaalsContact C-N 3.28Å; R104-N106 PolarHBondContact O-N 2.94Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 3.09Å; N106-K109 PolarHBondContact O-N 2.99Å; N106-I110 WeakPolarHBondContact O-CG1 3.3Å; N106-I110 PolarHBondContact O-N 2.66Å
107R94.4Very high94.1Very high14 Ų1472.2 Ų72.25%0.05335%0.353CS..Hα-helixtrans-61.1-42.1174.7-60-177.468845.2111.7I98 A99 V102 A103 R104 I110 V111 N123 A126 L128I98-R107 HydrophobicContact CG2-CG 4.18Å; A99-R107 PolarHBondContact O-NH1 3.05Å; V102-R107 HydrophobicContact CB-CG 4.19Å; V102-R107 HydrophobicContact CG1-CG 3.82Å; V102-R107 WeakPolarHBondContact O-CD 3.37Å; V102-R107 WeakPolarHBondContact O-CG 3.18Å; A103-R107 WeakPolarHBondContact O-CG 3.41Å; A103-R107 PolarHBondContact O-N 3.48Å; R104-R107 WeakPolarHBondContact O-CB 3.44Å; R104-R107 PolarHBondContact O-N 2.98Å; R107-I110 PolarHBondContact O-N 2.66Å; R107-V111 VanDerWaalsContact O-CG2 3.31Å; R107-V111 WeakPolarHBondContact O-CG2 3.32Å; R107-V111 PolarHBondContact O-N 3.41Å; R107-N123 PolarHBondContact NH2-O 3.46Å; R107-A126 PolarHBondContact NE-O 3.11Å; R107-A126 PolarHBondContact NH2-O 3.41Å; R107-L128 HydrophobicContact CB-CD2 3.96Å; R107-L128 HydrophobicContact CB-CG 4.5Å
108V93.6Very high93.9Very high65 Ų6573.7 Ų73.739%0.39437%0.365SS..Hα-helixtrans-56.6-52.3175.5177.40000110.6R104 N106 I110 V111 E112 L128R104-V108 PolarHBondContact O-N 3.19Å; R104-V108 VanDerWaalsContact O-N 3.1Å; N106-V108 VanDerWaalsContact C-N 3.34Å; N106-V108 PolarHBondContact O-N 3.09Å; V108-I110 VanDerWaalsContact C-N 3.32Å; V108-I110 PolarHBondContact O-N 3.42Å; V108-V111 PolarHBondContact O-N 3.4Å; V108-E112 WeakPolarHBondContact O-CB 3.47Å; V108-E112 PolarHBondContact O-N 3.27Å; V108-L128 HydrophobicContact CG2-CD2 3.48Å; V108-L128 VanDerWaalsContact CG2-CD2 3.48Å
109K94.5Very high93.9Very high111 Ų11173.9 Ų73.948%0.48337%0.366SS..Hα-helixtrans-58.8-41178.7-64.8-177176.7-170.10112.8V81 N106 R113V81-K109 HydrophobicContact CG2-CB 4.22Å; N106-K109 PolarHBondContact O-N 2.99Å; K109-R113 WeakPolarHBondContact O-CB 3.45Å; K109-R113 PolarHBondContact O-N 3.48Å
110I95.3Very high93.8Very high2 Ų277.8 Ų77.81%0.0138%0.379CS..Hα-helixtrans-64.2-47177.3-74.9166.7000110.9V81 L84 I98 V102 N106 R107 V108 E112 R113 A114V81-I110 HydrophobicContact CG2-CG1 4.03Å; L84-I110 HydrophobicContact CD1-CB 4.29Å; L84-I110 HydrophobicContact CD1-CG1 4.13Å; L84-I110 HydrophobicContact CD1-CG2 3.68Å; L84-I110 HydrophobicContact CD2-CG2 4.39Å; I98-I110 HydrophobicContact CD1-CB 4.46Å; I98-I110 HydrophobicContact CD1-CG2 3.78Å; I98-I110 HydrophobicContact CG1-CG2 3.83Å; I98-I110 HydrophobicContact CG2-CD1 4.24Å; V102-I110 HydrophobicContact CG1-CD1 3.96Å; N106-I110 WeakPolarHBondContact O-CG1 3.3Å; N106-I110 PolarHBondContact O-N 2.66Å; R107-I110 PolarHBondContact O-N 2.66Å; V108-I110 VanDerWaalsContact C-N 3.32Å; V108-I110 PolarHBondContact O-N 3.42Å; I110-E112 VanDerWaalsContact C-N 3.34Å; I110-R113 PolarHBondContact O-N 3.43Å; I110-A114 VanDerWaalsContact O-CB 3.31Å; I110-A114 WeakPolarHBondContact O-CB 3.2Å; I110-A114 PolarHBondContact O-N 3.27Å
111V94.5Very high93.9Very high18 Ų1870 Ų7011%0.10934%0.344CS..Hα-helixtrans-64.5-41.6-179.61710000110.9I98 R107 V108 A114 K115 A124 L128I98-V111 HydrophobicContact CD1-CG2 3.86Å; R107-V111 VanDerWaalsContact O-CG2 3.31Å; R107-V111 WeakPolarHBondContact O-CG2 3.32Å; R107-V111 PolarHBondContact O-N 3.41Å; V108-V111 PolarHBondContact O-N 3.4Å; V111-A114 PolarHBondContact O-N 3.38Å; V111-K115 WeakPolarHBondContact O-CG 3.32Å; V111-K115 PolarHBondContact O-N 3.2Å; V111-K115 VanDerWaalsContact O-N 3.07Å; V111-A124 HydrophobicContact CG2-CB 4.43Å; V111-L128 HydrophobicContact CG2-CD1 4.23Å
112E94.3Very high93.9Very high112 Ų11267.4 Ų67.452%0.52333%0.328SS..Hα-helixtrans-61.4-49.9175.7-174.9176.4-165.100111.8V108 I110 A114 K115 Q116V108-E112 WeakPolarHBondContact O-CB 3.47Å; V108-E112 PolarHBondContact O-N 3.27Å; I110-E112 VanDerWaalsContact C-N 3.34Å; E112-A114 VanDerWaalsContact C-N 3.31Å; E112-A114 PolarHBondContact O-N 3.38Å; E112-K115 WeakPolarHBondContact O-CB 3.43Å; E112-K115 PolarHBondContact O-N 2.89Å; E112-Q116 PolarHBondContact O-N 3.42Å
113R95.2Very high93.9Very high75 Ų7568.7 Ų68.728%0.28333%0.334SS..Hα-helixtrans-61-39.6175.4-17465.4165.8162.9-2.3112.1V81 E85 K109 I110 K115 Q116 L117V81-R113 HydrophobicContact CG1-CB 3.84Å; V81-R113 HydrophobicContact CG1-CG 3.61Å; E85-R113 IonicContact OE1-CZ 3.69Å; E85-R113 IonicContact OE1-NE 2.93Å; E85-R113 IonicContact OE1-NH2 3.92Å; E85-R113 PolarHBondContact OE1-NH2 3.2Å; K109-R113 WeakPolarHBondContact O-CB 3.45Å; K109-R113 PolarHBondContact O-N 3.48Å; I110-R113 PolarHBondContact O-N 3.43Å; R113-K115 VanDerWaalsContact C-N 3.29Å; R113-K115 PolarHBondContact O-N 3.33Å; R113-Q116 VanDerWaalsContact NH1-OE1 3.09Å; R113-Q116 WeakPolarHBondContact O-CB 3.35Å; R113-Q116 PolarHBondContact O-N 3.35Å; R113-L117 HydrophobicContact CG-CD1 3.9Å; R113-L117 HydrophobicContact CG-CG 4.31Å; R113-L117 WeakPolarHBondContact O-CG 3.43Å; R113-L117 PolarHBondContact O-N 3.32Å
114A95Very high93.8Very high2 Ų267 Ų672%0.01732%0.32CS..Hα-helixtrans-61.5-38.7178.600000112.4L84 I110 V111 E112 L117 S118 I119 V121L84-A114 HydrophobicContact CD2-CB 3.44Å; L84-A114 VanDerWaalsContact CD2-CB 3.44Å; I110-A114 VanDerWaalsContact O-CB 3.31Å; I110-A114 WeakPolarHBondContact O-CB 3.2Å; I110-A114 PolarHBondContact O-N 3.27Å; V111-A114 PolarHBondContact O-N 3.38Å; E112-A114 VanDerWaalsContact C-N 3.31Å; E112-A114 PolarHBondContact O-N 3.38Å; A114-L117 PolarHBondContact O-N 3.39Å; A114-S118 PolarHBondContact O-N 3.48Å; A114-I119 PolarHBondContact O-N 3.11Å; A114-V121 HydrophobicContact CB-CG2 3.34Å
115K93.4Very high93.6Very high162 Ų16265.5 Ų65.570%0.70432%0.323SS*.Hα-helixtrans-62.5-44175.4-72.8173.9179.1-178.20111V111 E112 R113 S118V111-K115 WeakPolarHBondContact O-CG 3.32Å; V111-K115 PolarHBondContact O-N 3.2Å; V111-K115 VanDerWaalsContact O-N 3.07Å; E112-K115 WeakPolarHBondContact O-CB 3.43Å; E112-K115 PolarHBondContact O-N 2.89Å; R113-K115 VanDerWaalsContact C-N 3.29Å; R113-K115 PolarHBondContact O-N 3.33Å; K115-S118 PolarHBondContact O-N 3.11Å
116Q93.5Very high93.2Very high119 Ų11960.1 Ų60.156%0.55631%0.308SS*.Hα-helixtrans-60.8-45.3176.3-64.1172-3.100111.8E112 R113 S118E112-Q116 PolarHBondContact O-N 3.42Å; R113-Q116 VanDerWaalsContact NH1-OE1 3.09Å; R113-Q116 WeakPolarHBondContact O-CB 3.35Å; R113-Q116 PolarHBondContact O-N 3.35Å; Q116-S118 PolarHBondContact O-N 3.07Å
117L93Very high92.3Very high23 Ų2358.9 Ų58.912%0.1231%0.314CS..THydrogen-bonded Turntrans-80.51.3-178.4-59.7176.2000113.7L84 E85 L88 R113 A114 I119L84-L117 HydrophobicContact CB-CD1 4.14Å; E85-L117 HydrophobicContact CG-CD1 4.37Å; L88-L117 HydrophobicContact CD1-CB 4.42Å; L88-L117 HydrophobicContact CD1-CD2 4.01Å; R113-L117 HydrophobicContact CG-CD1 3.9Å; R113-L117 HydrophobicContact CG-CG 4.31Å; R113-L117 WeakPolarHBondContact O-CG 3.43Å; R113-L117 PolarHBondContact O-N 3.32Å; A114-L117 PolarHBondContact O-N 3.39Å; L117-I119 VanDerWaalsContact C-N 3.26Å; L117-I119 HydrophobicContact CB-CD1 3.6Å; L117-I119 HydrophobicContact CB-CG1 3.9Å; L117-I119 HydrophobicContact CD1-CD1 3.82Å; L117-I119 HydrophobicContact CG-CD1 4.38Å; L117-I119 PolarHBondContact O-N 3.13Å
118S93Very high91.5Very high64 Ų6460 Ų6045%0.44832%0.321SS..THydrogen-bonded Turntrans52.142.9-175.2-64.70000113.4I3 H91 A114 K115 Q116I3-S118 WeakPolarHBondContact CD1-O 3.44Å; H91-S118 PolarHBondContact ND1-O 3.19Å; A114-S118 PolarHBondContact O-N 3.48Å; K115-S118 PolarHBondContact O-N 3.11Å; Q116-S118 PolarHBondContact O-N 3.07Å
119I94.4Very high90.4Very high6 Ų665.2 Ų65.23%0.03133%0.334CS..  trans-100.8132176.6-63164.6000109.6I3 L84 L87 H91 A96 A114 L117 V121I3-I119 VanDerWaalsContact CD1-C 3.44Å; L84-I119 HydrophobicContact CB-CD1 4.24Å; L84-I119 HydrophobicContact CD2-CD1 4.34Å; L84-I119 VanDerWaalsContact O-CD1 3.26Å; L84-I119 WeakPolarHBondContact O-CD1 3.38Å; L87-I119 HydrophobicContact CB-CD1 3.91Å; L87-I119 HydrophobicContact CB-CG1 4.42Å; L87-I119 HydrophobicContact CD1-CG2 4.16Å; H91-I119 HydrophobicContact CB-CG1 3.93Å; A96-I119 HydrophobicContact CB-CG2 3.99Å; A114-I119 PolarHBondContact O-N 3.11Å; L117-I119 VanDerWaalsContact C-N 3.26Å; L117-I119 HydrophobicContact CB-CD1 3.6Å; L117-I119 HydrophobicContact CB-CG1 3.9Å; L117-I119 HydrophobicContact CD1-CD1 3.82Å; L117-I119 HydrophobicContact CG-CD1 4.38Å; L117-I119 PolarHBondContact O-N 3.13Å; I119-V121 PolarHBondContact O-N 3Å
120R94.4Very high89.2Confident94 Ų9461.9 Ų61.936%0.35533%0.325SS..  trans-74123.5176.3-179.8-179.9172.9120.4-1.3109.8I3 D71 F73 A95 A96I3-R120 HydrophobicContact CB-CB 4.42Å; I3-R120 HydrophobicContact CD1-CB 4.29Å; I3-R120 HydrophobicContact CG2-CB 4.49Å; D71-R120 IonicContact OD2-NE 3.83Å; D71-R120 IonicContact OD2-NH2 3.92Å; F73-R120 HydrophobicContact CZ-CB 4.49Å; A95-R120 CarbonylContact C-O 3.53Å; A95-R120 WeakPolarHBondContact CA-O 3.47Å; A95-R120 HydrophobicContact CB-CB 4.25Å; A95-R120 HydrophobicContact CB-CG 4.3Å; A96-R120 PolarHBondContact N-O 3.34Å
121V95Very high87.8Confident23 Ų2368.1 Ų68.114%0.13936%0.363CS..BIsolated β-bridgetrans-104.6119.6171.7-175.30000109.4A96 I98 A114 I119 A124A96-V121 HydrophobicContact CB-CG2 4.11Å; A96-V121 CarbonylContact O-C 3.32Å; A96-V121 WeakPolarHBondContact O-CA 3.45Å; I98-V121 HydrophobicContact CD1-CG1 3.87Å; I98-V121 HydrophobicContact CG1-CG1 3.81Å; A114-V121 HydrophobicContact CB-CG2 3.34Å; I119-V121 PolarHBondContact O-N 3Å; V121-A124 HydrophobicContact CB-CB 4.17Å; V121-A124 HydrophobicContact CG1-CB 4.17Å
122V94.8Very high86Confident64 Ų6475.4 Ų75.439%0.38840%0.396SS..THydrogen-bonded Turntrans-68.5-41.8-174.3-179.70000111.8A95 A96 V97A95-V122 HydrophobicContact CB-CG2 3.88Å; A96-V122 PolarHBondContact O-N 3.2Å; V97-V122 HydrophobicContact CG2-CB 4.07Å; V97-V122 HydrophobicContact CG2-CG2 3.91Å
123N93.7Very high84.6Confident41 Ų4175.1 Ų75.122%0.21940%0.398CS..THydrogen-bonded Turntrans-111.940.8-17564.8-23.1000112.2I98 R107 N125 A126I98-N123 PolarHBondContact N-OD1 3.4Å; I98-N123 PolarHBondContact O-ND2 2.97Å; R107-N123 PolarHBondContact NH2-O 3.46Å; N123-N125 VanDerWaalsContact C-N 3.26Å; N123-N125 PolarHBondContact O-N 3.49Å; N123-A126 HydrophobicContact CB-CB 4.09Å; N123-A126 WeakPolarHBondContact O-CB 3.42Å; N123-A126 PolarHBondContact O-N 3.33Å; N123-A126 VanDerWaalsContact O-N 3.13Å
124A90.3Very high82.5Confident26 Ų2682.3 Ų82.322%0.21544%0.435CS..THydrogen-bonded Turntrans-53.6-40.4-174.700000113.2V111 V121 L128V111-A124 HydrophobicContact CG2-CB 4.43Å; V121-A124 HydrophobicContact CB-CB 4.17Å; V121-A124 HydrophobicContact CG1-CB 4.17Å; A124-L128 WeakPolarHBondContact O-CD1 3.35Å
125N87.4Confident81.9Confident115 Ų11586.4 Ų86.462%0.61546%0.456SS*.THydrogen-bonded Turntrans-87.6-10.2-176.1-62.9-14000114N123 G127 L128N123-N125 VanDerWaalsContact C-N 3.26Å; N123-N125 PolarHBondContact O-N 3.49Å; N125-G127 PolarHBondContact O-N 3.23Å; N125-L128 PolarHBondContact O-N 3.47Å
126A84.8Confident81.3Confident46 Ų4682.4 Ų82.438%0.3844%0.443SS..THydrogen-bonded Turntrans-65.1130.5-177.400000109.9R107 N123 L128R107-A126 PolarHBondContact NE-O 3.11Å; R107-A126 PolarHBondContact NH2-O 3.41Å; N123-A126 HydrophobicContact CB-CB 4.09Å; N123-A126 WeakPolarHBondContact O-CB 3.42Å; N123-A126 PolarHBondContact O-N 3.33Å; N123-A126 VanDerWaalsContact O-N 3.13Å; A126-L128 PolarHBondContact O-N 2.78Å
127G75.1Confident80.6Confident54 Ų5480.3 Ų80.356%0.55744%0.436SS*.THydrogen-bonded Turntrans69.33.9-18000000116.3R104 N125R104-G127 WeakPolarHBondContact CG-O 3.29Å; N125-G127 PolarHBondContact O-N 3.23Å
128L76.7Confident79.9Confident38 Ų3883.7 Ų83.720%0.19946%0.455CS..THydrogen-bonded Turntrans-100.7-17.4175-66.5-174.3000113.5R104 R107 V108 V111 A124 N125 A126 S130R104-L128 HydrophobicContact CG-CD2 3.9Å; R104-L128 PolarHBondContact NH2-O 2.86Å; R104-L128 VanDerWaalsContact NH2-O 3.08Å; R107-L128 HydrophobicContact CB-CD2 3.96Å; R107-L128 HydrophobicContact CB-CG 4.5Å; V108-L128 HydrophobicContact CG2-CD2 3.48Å; V108-L128 VanDerWaalsContact CG2-CD2 3.48Å; V111-L128 HydrophobicContact CG2-CD1 4.23Å; A124-L128 WeakPolarHBondContact O-CD1 3.35Å; N125-L128 PolarHBondContact O-N 3.47Å; A126-L128 PolarHBondContact O-N 2.78Å; L128-S130 PolarHBondContact O-N 2.78Å
129R70.7Confident79Confident174 Ų17484.9 Ų84.966%0.65746%0.455SS*.  trans-54.7127.3178.8-63.7-176.1-179.6172.3-5.3110.6
130S70Confident78Confident42 Ų4290.2 Ų90.229%0.29448%0.484SS..  trans-76.4161.1159.350.20000108.8L128 E132 N133L128-S130 PolarHBondContact O-N 2.78Å; S130-E132 PolarHBondContact O-N 3.25Å; S130-E132 VanDerWaalsContact O-N 3.12Å; S130-N133 PolarHBondContact O-N 3.35Å; S130-N133 PolarHBondContact OG-ND2 2.85Å
131T64.5Low76.8Confident132 Ų13289.9 Ų89.981%0.8149%0.493SS*.G310 helixtrans-52.9-27.5173.836.90000113.1N133T131-N133 VanDerWaalsContact C-N 3.26Å; T131-N133 PolarHBondContact O-N 2.75Å
132E57.1Low75.4Confident171 Ų17195.1 Ų95.180%0.79952%0.52SS*.G310 helixtrans-73.4-12.7176.9-60.2170.9155.500114.2S130S130-E132 PolarHBondContact O-N 3.25Å; S130-E132 VanDerWaalsContact O-N 3.12Å
133N64.8Low73.8Confident107 Ų10797.7 Ų97.757%0.57253%0.531SS*.G310 helixtrans-111.525.8-175.1-73.5-63.6000113.1S130 T131S130-N133 PolarHBondContact O-N 3.35Å; S130-N133 PolarHBondContact OG-ND2 2.85Å; T131-N133 VanDerWaalsContact C-N 3.26Å; T131-N133 PolarHBondContact O-N 2.75Å
134E51.1Low72Confident226 Ų226102.8 Ų102.8100%1.05656%0.559SS**  trans-83.80164.5-71.9-165.515800111.2

Retrieved 134 of 134 residues in 66.3 ms (Link to these results)