name Intraclash total energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds 1SHB2_1.PDB 3.10959 -12.41000 -3.10000 -6.63000 -8.58000 -5.12000 14.80000 -9.71000 0.49000 6.11000 2.19000 0.00000 0.00000 0.00000 0.30000 0.64000 -0.25000 -0.43000 0.00000 -2.48000 0.00000 2.38000 108.00000 1SHB2_2.PDB 2.16832 -12.23000 -3.10000 -5.16000 -9.19000 -4.99000 14.63000 -10.36000 0.25000 5.95000 2.53000 0.00000 0.00000 0.00000 0.27000 0.76000 -0.25000 -0.42000 0.00000 -2.39000 0.00000 2.38000 108.00000 1SHB2_3.PDB 2.17312 -12.88000 -3.07000 -6.69000 -9.17000 -5.16000 15.38000 -10.42000 0.25000 6.26000 2.82000 0.00000 0.00000 0.00000 0.28000 0.77000 -0.25000 -0.56000 0.00000 -2.56000 0.00000 2.38000 108.00000 1SHB2_4.PDB 2.18953 -10.51000 -3.05000 -6.67000 -9.10000 -5.03000 15.48000 -10.30000 1.09000 6.16000 3.47000 0.00000 0.00000 0.00000 0.27000 0.72000 -0.25000 -0.26000 0.00000 -2.32000 0.00000 2.38000 108.00000 1SHB2_5.PDB 2.26275 -11.09000 -3.13000 -5.14000 -9.23000 -4.80000 15.23000 -10.09000 0.17000 5.86000 2.60000 0.00000 0.00000 0.00000 0.23000 0.76000 -0.25000 -0.30000 0.00000 -2.25000 0.00000 2.38000 108.00000 1SHB2_6.PDB 3.25445 -8.62000 -2.13000 -5.18000 -9.30000 -4.59000 14.73000 -10.47000 1.85000 5.55000 2.75000 0.00000 0.00000 0.00000 0.26000 0.67000 -0.22000 0.09000 0.00000 -1.95000 0.00000 2.38000 108.00000 1SHB2_7.PDB 2.36015 -10.44000 -2.18000 -4.27000 -9.40000 -4.45000 13.83000 -10.79000 0.62000 5.14000 2.90000 0.00000 0.00000 0.00000 0.24000 0.70000 -0.22000 0.11000 0.00000 -1.97000 0.00000 2.38000 108.00000 1SHB2_8.PDB 2.58283 -9.32000 -2.08000 -5.17000 -8.73000 -4.61000 14.00000 -9.76000 0.18000 5.22000 3.74000 0.00000 0.00000 0.00000 0.25000 0.76000 -0.22000 -0.10000 0.00000 -2.06000 0.00000 2.38000 108.00000 1SHB2_9.PDB 2.62789 -11.79000 -2.20000 -5.17000 -9.67000 -4.55000 14.31000 -11.09000 0.18000 5.58000 2.75000 0.00000 0.00000 0.00000 0.26000 0.77000 -0.22000 0.00000 0.00000 -1.97000 0.00000 2.38000 108.00000 1SHB2_10.PDB 3.04486 -9.56000 -2.17000 -5.17000 -8.72000 -4.49000 13.60000 -10.06000 1.62000 5.27000 2.17000 0.00000 0.00000 0.00000 0.25000 0.65000 -0.22000 0.29000 0.00000 -1.93000 0.00000 2.38000 108.00000 1SHB2_11.PDB 2.60965 -10.50000 -2.09000 -5.17000 -9.12000 -4.51000 14.33000 -10.37000 0.17000 5.22000 3.05000 0.00000 0.00000 0.00000 0.25000 0.76000 -0.22000 -0.18000 0.00000 -1.87000 0.00000 2.38000 108.00000 1SHB2_12.PDB 2.64617 -10.38000 -2.11000 -5.17000 -9.46000 -4.54000 14.89000 -10.69000 0.23000 5.45000 2.76000 0.00000 0.00000 0.00000 0.25000 0.75000 -0.22000 0.07000 0.00000 -1.85000 0.00000 2.38000 108.00000 1SHB2_13.PDB 2.92125 -11.05000 -3.12000 -6.58000 -7.65000 -5.16000 14.59000 -8.56000 0.39000 5.85000 2.12000 0.00000 0.00000 0.00000 0.31000 0.45000 -0.25000 -0.49000 0.00000 -2.51000 0.00000 2.38000 108.00000 1SHB2_14.PDB 2.56194 -11.23000 -2.21000 -5.17000 -9.64000 -4.52000 14.59000 -11.00000 0.18000 5.55000 2.57000 0.00000 0.00000 0.00000 0.25000 0.77000 -0.22000 0.26000 0.00000 -1.86000 0.00000 2.38000 108.00000 1SHB2_15.PDB 2.73564 -10.97000 -3.09000 -5.16000 -7.54000 -4.69000 13.57000 -8.26000 0.30000 5.15000 2.20000 0.00000 0.00000 0.00000 0.25000 0.54000 -0.25000 -1.13000 0.00000 -2.31000 0.00000 2.38000 108.00000 1SHB2_16.PDB 3.49476 -11.91000 -2.99000 -5.95000 -9.39000 -4.92000 14.61000 -10.92000 0.49000 6.23000 3.97000 0.00000 0.00000 0.00000 0.28000 0.72000 -0.25000 -0.63000 0.00000 -2.43000 0.00000 2.38000 108.00000 1SHB2_17.PDB 3.20365 -12.09000 -3.09000 -6.68000 -9.50000 -5.08000 15.59000 -11.01000 0.65000 6.31000 3.30000 0.00000 0.00000 0.00000 0.27000 0.73000 -0.25000 -0.13000 0.00000 -2.48000 0.00000 2.38000 108.00000 1SHB2_18.PDB 2.75227 -10.95000 -2.22000 -5.17000 -9.76000 -4.49000 14.38000 -11.27000 1.47000 5.61000 2.42000 0.00000 0.00000 0.00000 0.26000 0.75000 -0.22000 -0.06000 0.00000 -1.89000 0.00000 2.38000 108.00000 1SHB2_19.PDB 2.58478 -11.40000 -2.14000 -5.17000 -9.40000 -4.50000 14.49000 -10.78000 0.16000 5.35000 2.53000 0.00000 0.00000 0.00000 0.27000 0.75000 -0.22000 -0.14000 0.00000 -1.85000 0.00000 2.38000 108.00000 1SHB2_20.PDB 2.23832 -11.29000 -3.06000 -5.17000 -8.45000 -4.91000 14.44000 -9.56000 0.33000 5.58000 2.30000 0.00000 0.00000 0.00000 0.24000 0.60000 -0.25000 -0.32000 0.00000 -2.47000 0.00000 2.38000 108.00000 1SHB2_21.PDB 3.32222 -10.78000 -3.04000 -6.65000 -9.52000 -5.06000 15.54000 -11.04000 1.34000 6.31000 4.22000 0.00000 0.00000 0.00000 0.27000 0.76000 -0.25000 -0.44000 0.00000 -2.48000 0.00000 2.38000 108.00000 1SHB2_22.PDB 2.69010 -9.23000 -3.08000 -5.17000 -7.56000 -4.66000 13.64000 -8.27000 0.38000 5.05000 2.89000 0.00000 0.00000 0.00000 0.24000 0.51000 -0.25000 -0.20000 0.00000 -2.24000 0.00000 2.38000 108.00000 1SHB2_23.PDB 2.77515 -9.27000 -3.09000 -6.66000 -7.62000 -4.95000 14.72000 -8.34000 0.30000 5.58000 2.95000 0.00000 0.00000 0.00000 0.26000 0.52000 -0.25000 0.09000 0.00000 -2.26000 0.00000 2.38000 108.00000 1SHB2_24.PDB 2.19540 -11.16000 -2.71000 -5.62000 -8.90000 -5.26000 14.63000 -9.81000 0.22000 5.85000 3.25000 0.00000 0.00000 0.00000 0.23000 0.72000 -0.23000 -0.16000 0.00000 -2.66000 0.00000 2.38000 108.00000 1SHB2_25.PDB 2.12455 -11.09000 -2.66000 -6.44000 -8.98000 -5.36000 15.43000 -9.88000 0.19000 6.23000 3.24000 0.00000 0.00000 0.00000 0.25000 0.74000 -0.23000 -0.23000 0.00000 -2.65000 0.00000 2.38000 108.00000 1SHB2_26.PDB 2.83853 -11.22000 -3.10000 -5.18000 -7.90000 -4.69000 13.34000 -9.10000 0.35000 5.22000 2.40000 0.00000 0.00000 0.00000 0.25000 0.59000 -0.25000 -0.27000 0.00000 -2.28000 0.00000 2.38000 108.00000 1SHB2_27.PDB 2.89683 -11.90000 -3.07000 -6.11000 -7.78000 -4.96000 13.81000 -8.80000 0.50000 5.63000 2.31000 0.00000 0.00000 0.00000 0.25000 0.61000 -0.25000 -1.09000 0.00000 -2.33000 0.00000 2.38000 108.00000 1SHB2_28.PDB 2.74292 -8.79000 -2.07000 -5.17000 -7.96000 -4.48000 13.46000 -9.03000 0.22000 4.72000 3.50000 0.00000 0.00000 0.00000 0.27000 0.62000 -0.22000 -0.11000 0.00000 -1.92000 0.00000 2.38000 108.00000 1SHB2_29.PDB 3.31055 -11.19000 -3.01000 -5.85000 -9.40000 -4.78000 14.41000 -11.03000 1.21000 6.10000 3.99000 0.00000 0.00000 0.00000 0.27000 0.68000 -0.25000 -0.53000 0.00000 -2.31000 0.00000 2.38000 108.00000 1SHB2_30.PDB 3.29473 -10.63000 -3.07000 -6.68000 -9.45000 -4.95000 15.42000 -10.95000 1.25000 6.24000 4.04000 0.00000 0.00000 0.00000 0.27000 0.73000 -0.25000 -0.22000 0.00000 -2.29000 0.00000 2.38000 108.00000