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 PIN3_1CKA-1_1.PDB 7.41319 -12.06000 -2.24000 -9.10000 -10.43000 -1.06000 11.36000 -13.28000 2.59000 6.84000 4.24000 0.00000 0.00000 0.00000 0.56000 0.82000 0.00000 -0.52000 0.00000 -1.01000 0.00000 2.38000 65.00000 PIN3_1CKA-1_2.PDB 10.03458 -11.44000 -2.20000 -9.22000 -10.18000 -1.25000 10.61000 -13.17000 3.07000 7.83000 4.25000 0.00000 0.00000 0.00000 0.51000 0.70000 0.00000 -0.22000 0.00000 -1.45000 0.00000 2.38000 65.00000 PIN3_1CKA-1_3.PDB 6.85542 -9.76000 -2.22000 -6.44000 -9.83000 -0.86000 9.87000 -13.10000 2.96000 6.51000 4.33000 0.00000 0.00000 0.00000 0.57000 0.64000 0.00000 -0.58000 0.00000 -0.97000 0.00000 2.38000 65.00000 PIN3_1CKA-1_4.PDB 5.95760 -11.70000 -2.35000 -8.83000 -9.96000 -1.18000 11.07000 -12.61000 2.26000 7.95000 4.15000 0.00000 0.00000 0.00000 0.24000 0.62000 0.00000 -1.14000 0.00000 -1.30000 0.00000 2.38000 65.00000 PIN3_1CKA-1_5.PDB 7.82486 -10.51000 -2.05000 -5.76000 -9.68000 -1.05000 10.01000 -12.64000 2.40000 5.22000 3.82000 0.00000 0.00000 0.00000 0.58000 0.55000 0.00000 -0.24000 0.00000 -1.14000 0.00000 2.38000 65.00000 PIN3_1CKA-1_6.PDB 7.39808 -11.62000 -2.16000 -9.20000 -10.25000 -1.19000 11.15000 -13.14000 2.76000 7.11000 4.35000 0.00000 0.00000 0.00000 0.59000 0.70000 0.00000 -0.43000 0.00000 -1.20000 0.00000 2.38000 65.00000 PIN3_1CKA-1_7.PDB 6.31083 -10.49000 -2.10000 -5.85000 -9.93000 -1.18000 9.89000 -13.21000 1.37000 7.36000 4.67000 0.00000 0.00000 0.00000 0.37000 0.69000 0.00000 -0.71000 0.00000 -1.16000 0.00000 2.38000 65.00000 PIN3_1CKA-1_8.PDB 7.51307 -9.66000 -1.64000 -6.62000 -10.02000 -0.67000 9.94000 -13.32000 2.94000 6.08000 3.81000 0.00000 0.00000 0.00000 0.66000 0.68000 0.00000 -0.12000 0.00000 -0.71000 0.00000 2.38000 65.00000 PIN3_1CKA-1_9.PDB 6.64576 -10.98000 -2.09000 -6.20000 -9.23000 -1.11000 8.94000 -12.54000 1.37000 7.64000 3.94000 0.00000 0.00000 0.00000 0.34000 0.46000 0.00000 -0.78000 0.00000 -1.26000 0.00000 2.38000 65.00000 PIN3_1CKA-1_10.PDB 6.83116 -9.21000 -1.35000 -7.10000 -10.30000 -0.96000 11.14000 -13.36000 3.02000 6.24000 4.25000 0.00000 0.00000 0.00000 0.61000 0.67000 0.00000 -0.40000 0.00000 -1.00000 0.00000 2.38000 65.00000 PIN3_1CKA-1_11.PDB 6.56989 -11.13000 -1.86000 -7.43000 -9.71000 -1.18000 10.04000 -12.84000 1.29000 8.06000 4.10000 0.00000 0.00000 0.00000 0.36000 0.59000 0.00000 -0.69000 0.00000 -1.27000 0.00000 2.38000 65.00000 PIN3_1CKA-1_12.PDB 6.96562 -10.24000 -1.50000 -6.78000 -9.58000 -0.86000 9.50000 -12.62000 2.63000 5.60000 3.92000 0.00000 0.00000 0.00000 0.62000 0.49000 0.00000 -0.19000 0.00000 -1.00000 0.00000 2.38000 65.00000 PIN3_1CKA-1_13.PDB 8.44235 -10.70000 -2.08000 -6.43000 -10.23000 -0.84000 10.15000 -13.71000 2.90000 6.54000 3.99000 0.00000 0.00000 0.00000 0.64000 0.71000 0.00000 -0.67000 0.00000 -0.95000 0.00000 2.38000 65.00000 PIN3_1CKA-1_14.PDB 7.07959 -12.50000 -1.47000 -8.19000 -10.10000 -1.28000 10.83000 -12.98000 1.24000 7.39000 4.03000 0.00000 0.00000 0.00000 0.29000 0.59000 0.00000 -0.85000 0.00000 -1.40000 0.00000 2.38000 65.00000 PIN3_1CKA-1_15.PDB 7.35368 -10.25000 -2.28000 -7.68000 -10.04000 -1.36000 11.50000 -12.41000 1.89000 6.96000 5.21000 0.00000 0.00000 0.00000 0.45000 0.76000 0.00000 -1.13000 0.00000 -1.37000 0.00000 2.38000 65.00000 PIN3_1CKA-1_16.PDB 9.68337 -8.06000 -2.26000 -5.46000 -10.58000 -0.90000 10.49000 -14.25000 4.01000 7.06000 4.26000 0.00000 0.00000 0.00000 0.82000 0.77000 0.00000 -0.26000 0.00000 -0.99000 0.00000 2.38000 65.00000 PIN3_1CKA-1_17.PDB 6.37030 -11.47000 -2.28000 -7.57000 -10.52000 -1.20000 10.61000 -13.73000 1.71000 8.64000 4.47000 0.00000 0.00000 0.00000 0.39000 0.62000 0.00000 -0.75000 0.00000 -1.26000 0.00000 2.38000 65.00000 PIN3_1CKA-1_18.PDB 7.45083 -12.81000 -1.50000 -8.27000 -10.19000 -1.02000 10.15000 -13.44000 2.44000 6.55000 3.68000 0.00000 0.00000 0.00000 0.57000 0.68000 0.00000 -0.55000 0.00000 -1.23000 0.00000 2.38000 65.00000 PIN3_1CKA-1_19.PDB 6.97852 -10.68000 -2.23000 -7.62000 -10.65000 -1.23000 12.33000 -13.18000 2.72000 6.68000 4.10000 0.00000 0.00000 0.00000 0.55000 0.65000 0.00000 -0.94000 0.00000 -1.20000 0.00000 2.38000 65.00000 PIN3_1CKA-1_20.PDB 6.81742 -11.08000 -1.49000 -8.28000 -10.08000 -0.93000 9.97000 -13.33000 2.90000 6.76000 4.09000 0.00000 0.00000 0.00000 0.74000 0.52000 0.00000 -0.33000 0.00000 -1.11000 0.00000 2.38000 65.00000 PIN3_1CKA-1_21.PDB 7.27337 -10.12000 -1.71000 -8.33000 -10.26000 -1.06000 11.39000 -13.45000 2.84000 7.40000 3.96000 0.00000 0.00000 0.00000 0.66000 0.73000 0.00000 -0.41000 0.00000 -1.16000 0.00000 2.38000 65.00000 PIN3_1CKA-1_22.PDB 7.77052 -12.39000 -2.31000 -10.61000 -10.68000 -1.23000 12.08000 -13.31000 2.74000 7.74000 4.42000 0.00000 0.00000 0.00000 0.56000 0.72000 0.00000 -0.54000 0.00000 -1.25000 0.00000 2.38000 65.00000 PIN3_1CKA-1_23.PDB 6.29494 -11.27000 -2.17000 -6.12000 -9.54000 -1.06000 8.97000 -13.02000 1.36000 7.76000 4.04000 0.00000 0.00000 0.00000 0.36000 0.49000 0.00000 -0.59000 0.00000 -1.26000 0.00000 2.38000 65.00000 PIN3_1CKA-1_24.PDB 10.01135 -8.97000 -2.33000 -6.95000 -11.06000 -0.60000 11.05000 -14.47000 3.04000 8.14000 4.53000 0.00000 0.00000 0.00000 0.71000 0.81000 0.00000 -0.37000 0.00000 -0.66000 0.00000 2.38000 65.00000 PIN3_1CKA-1_25.PDB 6.93578 -11.66000 -2.15000 -9.45000 -10.67000 -1.20000 11.63000 -13.49000 3.09000 7.79000 4.38000 0.00000 0.00000 0.00000 0.52000 0.67000 0.00000 -0.95000 0.00000 -1.16000 0.00000 2.38000 65.00000 PIN3_1CKA-1_26.PDB 7.44615 -12.12000 -1.48000 -9.93000 -10.33000 -1.05000 11.10000 -13.10000 2.54000 7.01000 4.07000 0.00000 0.00000 0.00000 0.70000 0.64000 0.00000 -0.58000 0.00000 -1.07000 0.00000 2.38000 65.00000 PIN3_1CKA-1_27.PDB 10.18660 -11.21000 -2.27000 -9.44000 -9.99000 -1.30000 10.96000 -12.65000 2.83000 7.50000 4.68000 0.00000 0.00000 0.00000 0.59000 0.62000 0.00000 -0.63000 0.00000 -1.49000 0.00000 2.38000 65.00000 PIN3_1CKA-1_28.PDB 7.14851 -11.38000 -1.77000 -8.74000 -9.83000 -1.14000 10.35000 -12.90000 2.57000 7.31000 3.84000 0.00000 0.00000 0.00000 0.52000 0.53000 0.00000 -0.32000 0.00000 -1.26000 0.00000 2.38000 65.00000 PIN3_1CKA-1_29.PDB 7.09920 -11.26000 -1.53000 -8.16000 -10.12000 -0.85000 9.99000 -13.20000 2.59000 6.51000 4.18000 0.00000 0.00000 0.00000 0.69000 0.51000 0.00000 -0.34000 0.00000 -1.01000 0.00000 2.38000 65.00000 PIN3_1CKA-1_30.PDB 6.47176 -10.95000 -2.28000 -7.82000 -9.98000 -1.04000 10.15000 -13.19000 1.81000 8.43000 4.29000 0.00000 0.00000 0.00000 0.39000 0.54000 0.00000 -0.63000 0.00000 -1.07000 0.00000 2.38000 65.00000