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-13_1.PDB 8.07458 -6.03000 -1.35000 -2.04000 -8.77000 -0.64000 7.95000 -11.84000 4.06000 5.35000 1.86000 0.00000 0.00000 0.00000 0.19000 0.66000 0.00000 -0.17000 0.00000 -0.60000 0.00000 2.38000 63.00000 PIN3_1CKA-13_2.PDB 4.80477 -7.07000 -0.56000 -4.33000 -8.71000 -0.57000 7.97000 -11.66000 3.37000 6.03000 2.04000 0.00000 0.00000 0.00000 0.15000 0.62000 0.00000 -0.27000 0.00000 -0.52000 0.00000 2.38000 63.00000 PIN3_1CKA-13_3.PDB 4.85990 -6.79000 -1.37000 -2.20000 -8.92000 -0.55000 7.74000 -12.28000 4.01000 5.33000 2.06000 0.00000 0.00000 0.00000 0.20000 0.67000 0.00000 -0.35000 0.00000 -0.47000 0.00000 2.38000 63.00000 PIN3_1CKA-13_4.PDB 4.80515 -6.57000 -1.42000 -2.08000 -9.20000 -0.58000 8.44000 -12.34000 4.23000 5.43000 1.53000 0.00000 0.00000 0.00000 0.21000 0.59000 0.00000 -0.29000 0.00000 -0.49000 0.00000 2.38000 63.00000 PIN3_1CKA-13_5.PDB 4.86367 -6.33000 -1.43000 -2.20000 -8.95000 -0.49000 7.90000 -12.11000 3.91000 5.19000 2.20000 0.00000 0.00000 0.00000 0.21000 0.69000 0.00000 -0.19000 0.00000 -0.36000 0.00000 2.38000 63.00000 PIN3_1CKA-13_6.PDB 4.96480 -6.58000 -1.35000 -2.13000 -8.87000 -0.55000 7.95000 -12.08000 3.99000 5.18000 1.84000 0.00000 0.00000 0.00000 0.19000 0.65000 0.00000 -0.27000 0.00000 -0.48000 0.00000 2.38000 63.00000 PIN3_1CKA-13_7.PDB 5.02910 -6.11000 -1.35000 -1.80000 -9.21000 -0.49000 8.17000 -12.57000 4.25000 5.22000 1.94000 0.00000 0.00000 0.00000 0.29000 0.65000 0.00000 -0.20000 0.00000 -0.37000 0.00000 2.38000 63.00000 PIN3_1CKA-13_8.PDB 8.06690 -7.91000 -2.30000 -5.46000 -8.45000 -0.57000 8.38000 -10.79000 3.37000 6.78000 2.31000 0.00000 0.00000 0.00000 0.15000 0.57000 0.00000 -0.68000 0.00000 -0.65000 0.00000 2.38000 63.00000 PIN3_1CKA-13_9.PDB 4.83537 -6.41000 -3.05000 -3.87000 -8.39000 -0.67000 8.94000 -10.68000 4.03000 6.38000 2.04000 0.00000 0.00000 0.00000 0.19000 0.58000 0.00000 -0.69000 0.00000 -0.65000 0.00000 2.38000 63.00000 PIN3_1CKA-13_10.PDB 4.90457 -6.42000 -1.37000 -2.15000 -8.82000 -0.46000 7.86000 -12.03000 3.81000 5.15000 1.89000 0.00000 0.00000 0.00000 0.20000 0.63000 0.00000 -0.16000 0.00000 -0.35000 0.00000 2.38000 63.00000 PIN3_1CKA-13_11.PDB 5.97862 -7.09000 -2.97000 -3.79000 -8.77000 -0.70000 8.86000 -11.44000 3.96000 6.61000 2.25000 0.00000 0.00000 0.00000 0.19000 0.62000 0.00000 -0.58000 0.00000 -0.71000 0.00000 2.38000 63.00000 PIN3_1CKA-13_12.PDB 5.88350 -5.48000 -0.47000 -2.43000 -8.29000 -0.54000 7.73000 -11.10000 3.75000 4.76000 1.76000 0.00000 0.00000 0.00000 0.16000 0.66000 0.00000 -0.28000 0.00000 -0.53000 0.00000 2.38000 63.00000 PIN3_1CKA-13_13.PDB 5.02844 -7.28000 -1.40000 -1.91000 -8.82000 -0.85000 7.61000 -12.00000 4.11000 5.15000 1.47000 0.00000 0.00000 0.00000 0.26000 0.63000 0.00000 -0.29000 0.00000 -0.60000 0.00000 2.38000 63.00000 PIN3_1CKA-13_14.PDB 4.92036 -5.67000 -2.10000 -4.03000 -8.42000 -0.61000 8.86000 -10.64000 3.82000 6.12000 2.30000 0.00000 0.00000 0.00000 0.15000 0.60000 0.00000 -0.54000 0.00000 -0.58000 0.00000 2.38000 63.00000 PIN3_1CKA-13_15.PDB 8.59907 -6.73000 -3.08000 -3.95000 -8.70000 -0.64000 8.98000 -11.13000 4.09000 6.30000 2.25000 0.00000 0.00000 0.00000 0.20000 0.59000 0.00000 -0.49000 0.00000 -0.56000 0.00000 2.38000 63.00000 PIN3_1CKA-13_16.PDB 4.77882 -6.47000 -1.33000 -2.13000 -9.01000 -0.47000 8.27000 -12.18000 3.84000 5.25000 1.74000 0.00000 0.00000 0.00000 0.17000 0.64000 0.00000 -0.26000 0.00000 -0.36000 0.00000 2.38000 63.00000 PIN3_1CKA-13_17.PDB 4.88443 -5.55000 -1.40000 -2.13000 -8.21000 -0.55000 7.75000 -11.13000 3.95000 5.01000 1.69000 0.00000 0.00000 0.00000 0.19000 0.62000 0.00000 -0.24000 0.00000 -0.47000 0.00000 2.38000 63.00000 PIN3_1CKA-13_18.PDB 7.55249 -5.75000 -1.35000 -1.80000 -9.03000 -0.75000 8.41000 -11.95000 4.37000 5.10000 1.96000 0.00000 0.00000 0.00000 0.21000 0.59000 0.00000 -0.20000 0.00000 -0.72000 0.00000 2.38000 63.00000 PIN3_1CKA-13_19.PDB 4.85699 -6.22000 -1.45000 -1.81000 -8.82000 -0.57000 7.65000 -11.95000 4.35000 5.19000 1.76000 0.00000 0.00000 0.00000 0.19000 0.62000 0.00000 -0.23000 0.00000 -0.53000 0.00000 2.38000 63.00000 PIN3_1CKA-13_20.PDB 4.88789 -6.56000 -1.35000 -2.21000 -8.38000 -0.55000 7.50000 -11.55000 3.88000 4.89000 1.84000 0.00000 0.00000 0.00000 0.18000 0.63000 0.00000 -0.33000 0.00000 -0.47000 0.00000 2.38000 63.00000 PIN3_1CKA-13_21.PDB 5.54493 -7.58000 -0.57000 -3.42000 -8.34000 -0.93000 7.44000 -11.25000 2.59000 5.52000 1.90000 0.00000 0.00000 0.00000 0.21000 0.62000 0.00000 -0.15000 0.00000 -0.58000 0.00000 2.38000 63.00000 PIN3_1CKA-13_22.PDB 4.91685 -6.62000 -1.35000 -2.08000 -8.55000 -0.77000 7.68000 -11.67000 4.01000 4.91000 1.74000 0.00000 0.00000 0.00000 0.22000 0.59000 0.00000 -0.26000 0.00000 -0.49000 0.00000 2.38000 63.00000 PIN3_1CKA-13_23.PDB 7.86606 -8.05000 -2.31000 -5.59000 -8.86000 -0.84000 9.08000 -11.50000 3.21000 7.25000 2.71000 0.00000 0.00000 0.00000 0.16000 0.64000 0.00000 -0.69000 0.00000 -0.67000 0.00000 2.38000 63.00000 PIN3_1CKA-13_24.PDB 5.47027 -2.54000 -0.48000 -0.54000 -8.26000 -0.70000 7.39000 -10.98000 6.21000 4.07000 2.01000 0.00000 0.00000 0.00000 0.15000 0.41000 0.00000 -0.77000 0.00000 -0.62000 0.00000 2.38000 63.00000 PIN3_1CKA-13_25.PDB 8.92028 -7.21000 -2.97000 -3.75000 -8.68000 -0.70000 8.73000 -11.28000 4.05000 6.35000 2.12000 0.00000 0.00000 0.00000 0.19000 0.64000 0.00000 -0.59000 0.00000 -0.70000 0.00000 2.38000 63.00000 PIN3_1CKA-13_26.PDB 5.88065 -6.44000 -1.79000 -4.45000 -8.97000 -0.49000 8.79000 -12.08000 3.94000 6.43000 2.64000 0.00000 0.00000 0.00000 0.19000 0.66000 0.00000 -0.28000 0.00000 -0.37000 0.00000 2.38000 63.00000 PIN3_1CKA-13_27.PDB 5.00064 -5.37000 -0.39000 -2.43000 -8.59000 -0.61000 8.01000 -11.40000 3.85000 4.83000 2.05000 0.00000 0.00000 0.00000 0.14000 0.62000 0.00000 -0.36000 0.00000 -0.48000 0.00000 2.38000 63.00000 PIN3_1CKA-13_28.PDB 5.09086 -6.49000 -1.34000 -2.19000 -9.06000 -0.65000 8.25000 -12.13000 4.08000 5.23000 2.11000 0.00000 0.00000 0.00000 0.19000 0.61000 0.00000 -0.34000 0.00000 -0.62000 0.00000 2.38000 63.00000 PIN3_1CKA-13_29.PDB 7.63158 -6.16000 -1.35000 -2.11000 -8.60000 -0.54000 7.92000 -11.64000 3.96000 5.24000 1.55000 0.00000 0.00000 0.00000 0.18000 0.60000 0.00000 -0.31000 0.00000 -0.48000 0.00000 2.38000 63.00000 PIN3_1CKA-13_30.PDB 4.68180 -6.52000 -1.36000 -2.20000 -8.99000 -0.51000 8.01000 -12.18000 3.99000 5.11000 2.12000 0.00000 0.00000 0.00000 0.16000 0.68000 0.00000 -0.20000 0.00000 -0.46000 0.00000 2.38000 63.00000