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 1SPS2_1.PDB 4.05020 -19.62000 -4.50000 -7.88000 -12.43000 -7.33000 19.32000 -13.87000 0.12000 7.77000 5.15000 0.00000 0.00000 0.00000 0.35000 0.79000 -0.44000 -1.74000 0.00000 -4.15000 0.00000 2.38000 110.00000 1SPS2_2.PDB 4.36702 -20.10000 -4.57000 -8.20000 -12.57000 -7.70000 20.04000 -13.71000 0.17000 6.59000 5.10000 0.00000 0.00000 0.00000 0.42000 0.75000 -0.35000 -1.29000 0.00000 -4.02000 0.00000 2.38000 110.00000 1SPS2_3.PDB 4.54936 -18.86000 -4.51000 -6.46000 -12.49000 -7.46000 19.66000 -13.71000 0.32000 6.07000 5.10000 0.00000 0.00000 0.00000 0.35000 0.72000 -0.31000 -1.73000 0.00000 -3.66000 0.00000 2.38000 110.00000 1SPS2_4.PDB 4.46136 -20.41000 -4.52000 -8.07000 -12.29000 -7.69000 19.68000 -13.30000 0.13000 6.21000 5.48000 0.00000 0.00000 0.00000 0.35000 0.72000 -0.35000 -2.04000 0.00000 -3.99000 0.00000 2.38000 110.00000 1SPS2_5.PDB 4.04435 -20.58000 -5.18000 -8.00000 -11.89000 -7.73000 19.36000 -13.07000 0.14000 7.18000 4.61000 0.00000 0.00000 0.00000 0.37000 0.76000 -0.39000 -1.58000 0.00000 -4.38000 0.00000 2.38000 110.00000 1SPS2_6.PDB 5.08294 -20.75000 -4.49000 -8.02000 -12.19000 -7.02000 18.32000 -13.57000 0.17000 7.00000 4.69000 0.00000 0.00000 0.00000 0.34000 0.72000 -0.34000 -1.72000 0.00000 -3.91000 0.00000 2.38000 110.00000 1SPS2_7.PDB 4.82615 -20.17000 -4.51000 -8.11000 -12.46000 -7.77000 20.02000 -13.47000 0.15000 6.79000 5.07000 0.00000 0.00000 0.00000 0.38000 0.71000 -0.34000 -1.86000 0.00000 -4.05000 0.00000 2.38000 110.00000 1SPS2_8.PDB 4.21870 -20.68000 -5.27000 -8.00000 -11.96000 -8.12000 20.13000 -12.76000 0.11000 6.71000 4.90000 0.00000 0.00000 0.00000 0.30000 0.72000 -0.41000 -1.66000 0.00000 -4.65000 0.00000 2.38000 110.00000 1SPS2_9.PDB 4.33848 -12.42000 -4.67000 -7.85000 -11.94000 -6.92000 20.08000 -12.94000 4.21000 7.89000 4.77000 0.00000 0.00000 0.00000 0.39000 0.82000 -0.39000 -1.15000 0.00000 -3.91000 0.00000 2.38000 110.00000 1SPS2_10.PDB 4.25483 -20.60000 -5.24000 -8.84000 -11.94000 -8.22000 20.15000 -12.65000 0.21000 7.13000 5.02000 0.00000 0.00000 0.00000 0.37000 0.73000 -0.41000 -1.51000 0.00000 -4.67000 0.00000 2.38000 110.00000 1SPS2_11.PDB 5.03817 -17.37000 -3.23000 -5.01000 -11.95000 -7.91000 17.90000 -13.17000 1.26000 6.96000 3.53000 0.00000 0.00000 0.00000 0.50000 0.64000 -0.39000 -1.29000 0.00000 -4.57000 0.00000 2.38000 110.00000 1SPS2_12.PDB 4.38917 -20.12000 -4.29000 -7.45000 -11.56000 -9.02000 19.77000 -12.17000 0.12000 6.42000 5.21000 0.00000 0.00000 0.00000 0.24000 0.70000 -0.39000 -2.13000 0.00000 -4.88000 0.00000 2.38000 110.00000 1SPS2_13.PDB 4.58855 -19.25000 -4.39000 -8.37000 -12.29000 -7.49000 19.53000 -13.35000 0.15000 7.20000 5.43000 0.00000 0.00000 0.00000 0.36000 0.75000 -0.32000 -1.55000 0.00000 -4.16000 0.00000 2.38000 110.00000 1SPS2_14.PDB 4.94144 -17.77000 -4.53000 -8.24000 -11.89000 -7.55000 19.64000 -12.80000 0.28000 6.10000 6.36000 0.00000 0.00000 0.00000 0.33000 0.77000 -0.33000 -1.17000 0.00000 -3.98000 0.00000 2.38000 110.00000 1SPS2_15.PDB 4.30540 -17.95000 -4.51000 -7.41000 -11.93000 -6.56000 18.99000 -13.24000 0.13000 6.45000 5.40000 0.00000 0.00000 0.00000 0.32000 0.74000 -0.32000 -1.82000 0.00000 -3.45000 0.00000 2.38000 110.00000 1SPS2_16.PDB 5.10494 -19.27000 -4.86000 -7.50000 -12.04000 -7.69000 19.61000 -12.95000 1.88000 6.37000 3.59000 0.00000 0.00000 0.00000 0.34000 0.88000 -0.36000 -1.44000 0.00000 -4.22000 0.00000 2.38000 110.00000 1SPS2_17.PDB 4.59727 -19.67000 -4.47000 -8.04000 -12.21000 -7.90000 20.29000 -12.99000 0.16000 6.10000 5.31000 0.00000 0.00000 0.00000 0.35000 0.74000 -0.35000 -1.83000 0.00000 -4.09000 0.00000 2.38000 110.00000 1SPS2_18.PDB 4.00476 -19.90000 -5.18000 -8.72000 -11.93000 -8.53000 21.27000 -12.43000 0.22000 6.53000 5.08000 0.00000 0.00000 0.00000 0.27000 0.75000 -0.40000 -1.31000 0.00000 -4.76000 0.00000 2.38000 110.00000 1SPS2_19.PDB 4.42427 -19.05000 -4.49000 -7.06000 -12.44000 -6.87000 19.52000 -13.56000 0.24000 6.06000 4.83000 0.00000 0.00000 0.00000 0.41000 0.72000 -0.32000 -1.86000 0.00000 -3.50000 0.00000 2.38000 110.00000 1SPS2_20.PDB 4.66179 -18.41000 -4.50000 -7.99000 -12.03000 -7.72000 20.16000 -12.83000 0.13000 6.66000 4.99000 0.00000 0.00000 0.00000 0.34000 0.72000 -0.35000 -1.33000 0.00000 -3.94000 0.00000 2.38000 110.00000 1SPS2_21.PDB 3.97912 -20.92000 -5.30000 -8.90000 -12.26000 -8.13000 20.17000 -13.37000 0.17000 7.96000 5.00000 0.00000 0.00000 0.00000 0.35000 0.75000 -0.39000 -1.50000 0.00000 -4.72000 0.00000 2.38000 110.00000 1SPS2_22.PDB 3.99006 -20.75000 -5.25000 -8.36000 -12.16000 -9.11000 21.46000 -12.80000 0.12000 7.09000 5.06000 0.00000 0.00000 0.00000 0.31000 0.74000 -0.41000 -1.70000 0.00000 -4.99000 0.00000 2.38000 110.00000 1SPS2_23.PDB 2.58101 -10.86000 -2.23000 -1.65000 -8.88000 -1.51000 7.89000 -11.47000 0.06000 5.69000 3.69000 0.00000 0.00000 0.00000 0.37000 0.59000 -0.09000 -1.23000 0.00000 -1.52000 0.00000 2.38000 110.00000 1SPS2_24.PDB 4.15391 -20.61000 -5.20000 -8.54000 -12.06000 -8.42000 20.45000 -12.90000 0.18000 7.21000 5.05000 0.00000 0.00000 0.00000 0.28000 0.72000 -0.40000 -1.30000 0.00000 -4.95000 0.00000 2.38000 110.00000 1SPS2_25.PDB 4.43162 -20.60000 -4.54000 -8.22000 -12.49000 -7.38000 19.05000 -13.89000 0.19000 6.68000 5.00000 0.00000 0.00000 0.00000 0.44000 0.77000 -0.35000 -1.39000 0.00000 -3.70000 0.00000 2.38000 110.00000 1SPS2_26.PDB 4.10206 -20.41000 -5.15000 -8.68000 -11.86000 -8.36000 20.90000 -12.41000 0.19000 6.14000 5.09000 0.00000 0.00000 0.00000 0.23000 0.72000 -0.40000 -1.43000 0.00000 -4.68000 0.00000 2.38000 110.00000 1SPS2_27.PDB 4.27313 -18.88000 -4.47000 -6.89000 -11.92000 -6.41000 18.51000 -13.53000 0.47000 5.94000 4.79000 0.00000 0.00000 0.00000 0.35000 0.75000 -0.31000 -2.10000 0.00000 -3.32000 0.00000 2.38000 110.00000 1SPS2_28.PDB 3.69583 -10.67000 -3.39000 -2.03000 -8.19000 -2.76000 10.68000 -9.55000 0.31000 4.77000 3.08000 0.00000 0.00000 0.00000 0.24000 0.50000 -0.18000 -1.35000 0.00000 -2.29000 0.00000 2.38000 110.00000 1SPS2_29.PDB 3.96767 -19.11000 -5.28000 -8.12000 -12.52000 -7.81000 20.80000 -13.57000 0.72000 7.19000 5.10000 0.00000 0.00000 0.00000 0.33000 0.72000 -0.37000 -1.26000 0.00000 -4.31000 0.00000 2.38000 110.00000 1SPS2_30.PDB 4.10963 -19.74000 -5.26000 -8.60000 -11.67000 -8.37000 20.18000 -12.57000 0.11000 7.51000 5.13000 0.00000 0.00000 0.00000 0.30000 0.72000 -0.40000 -1.43000 0.00000 -4.67000 0.00000 2.38000 110.00000