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-29_1.PDB 4.65065 -7.47000 -0.55000 -0.62000 -10.62000 -2.38000 8.89000 -14.20000 4.09000 6.46000 2.40000 0.00000 0.00000 0.00000 0.16000 0.53000 0.00000 -0.22000 0.00000 -0.87000 0.00000 2.38000 65.00000 PIN3_1CKA-29_2.PDB 4.54552 -7.39000 -0.53000 -0.48000 -10.10000 -1.94000 8.19000 -13.68000 3.87000 6.25000 2.27000 0.00000 0.00000 0.00000 0.12000 0.47000 0.00000 -0.54000 0.00000 -0.79000 0.00000 2.38000 65.00000 PIN3_1CKA-29_3.PDB 5.44831 -9.04000 -0.53000 -2.78000 -10.60000 -2.45000 9.47000 -13.98000 3.66000 7.47000 2.04000 0.00000 0.00000 0.00000 0.16000 0.59000 0.00000 -0.45000 0.00000 -1.04000 0.00000 2.38000 65.00000 PIN3_1CKA-29_4.PDB 5.85408 -9.10000 -0.57000 -2.07000 -10.45000 -2.36000 8.67000 -14.01000 4.00000 6.23000 2.52000 0.00000 0.00000 0.00000 0.30000 0.50000 0.00000 -0.45000 0.00000 -0.92000 0.00000 2.38000 65.00000 PIN3_1CKA-29_5.PDB 4.87262 -7.06000 -0.88000 -1.65000 -9.96000 -2.26000 8.92000 -13.05000 4.45000 6.00000 2.41000 0.00000 0.00000 0.00000 0.12000 0.66000 0.00000 -0.29000 0.00000 -0.86000 0.00000 2.38000 65.00000 PIN3_1CKA-29_6.PDB 7.91011 -8.70000 -0.90000 -1.56000 -10.80000 -2.95000 9.68000 -14.33000 4.56000 6.65000 2.09000 0.00000 0.00000 0.00000 0.20000 0.53000 0.00000 -0.09000 0.00000 -1.27000 0.00000 2.38000 65.00000 PIN3_1CKA-29_7.PDB 4.49984 -6.24000 -0.81000 -1.48000 -9.42000 -2.36000 8.58000 -12.19000 4.16000 5.75000 2.63000 0.00000 0.00000 0.00000 0.09000 0.54000 0.00000 -0.28000 0.00000 -0.90000 0.00000 2.38000 65.00000 PIN3_1CKA-29_8.PDB 4.76890 -7.53000 -0.54000 -1.32000 -10.18000 -2.31000 8.72000 -13.31000 3.99000 6.17000 2.21000 0.00000 0.00000 0.00000 0.12000 0.58000 0.00000 -0.14000 0.00000 -0.93000 0.00000 2.38000 65.00000 PIN3_1CKA-29_9.PDB 4.78164 -7.80000 -0.56000 -1.37000 -10.20000 -2.28000 8.68000 -13.52000 3.78000 6.59000 2.50000 0.00000 0.00000 0.00000 0.10000 0.50000 0.00000 -0.36000 0.00000 -1.16000 0.00000 2.38000 65.00000 PIN3_1CKA-29_10.PDB 4.94958 -8.94000 -0.98000 -1.63000 -10.79000 -2.37000 9.58000 -14.39000 3.98000 6.62000 2.16000 0.00000 0.00000 0.00000 0.14000 0.58000 0.00000 -0.24000 0.00000 -1.03000 0.00000 2.38000 65.00000 PIN3_1CKA-29_11.PDB 3.93131 -8.16000 -1.22000 -2.90000 -8.81000 -0.65000 6.55000 -12.34000 3.42000 6.05000 2.33000 0.00000 0.00000 0.00000 0.02000 0.51000 0.00000 -0.17000 0.00000 -0.46000 0.00000 2.38000 65.00000 PIN3_1CKA-29_12.PDB 5.05606 -9.04000 -1.08000 -1.97000 -10.65000 -2.12000 9.04000 -14.31000 3.96000 6.55000 2.47000 0.00000 0.00000 0.00000 0.14000 0.57000 0.00000 -0.23000 0.00000 -0.84000 0.00000 2.38000 65.00000 PIN3_1CKA-29_13.PDB 4.71218 -8.03000 -0.54000 -5.61000 -9.24000 -0.65000 7.97000 -12.73000 4.02000 7.45000 2.66000 0.00000 0.00000 0.00000 0.05000 0.49000 0.00000 -0.62000 0.00000 -0.79000 0.00000 2.38000 65.00000 PIN3_1CKA-29_14.PDB 4.66486 -8.78000 -0.95000 -1.76000 -10.31000 -2.08000 8.84000 -13.66000 3.85000 6.40000 2.10000 0.00000 0.00000 0.00000 0.12000 0.50000 0.00000 -0.32000 0.00000 -1.01000 0.00000 2.38000 65.00000 PIN3_1CKA-29_15.PDB 5.58547 -9.34000 -1.15000 -2.01000 -10.69000 -2.07000 8.93000 -14.37000 4.31000 6.65000 2.20000 0.00000 0.00000 0.00000 0.18000 0.52000 0.00000 -0.29000 0.00000 -1.04000 0.00000 2.38000 65.00000 PIN3_1CKA-29_16.PDB 4.63460 -5.41000 -0.82000 -2.30000 -8.40000 -0.57000 6.52000 -11.42000 3.97000 5.51000 2.72000 0.00000 0.00000 0.00000 0.02000 0.51000 0.00000 -0.25000 0.00000 -0.40000 0.00000 2.38000 65.00000 PIN3_1CKA-29_17.PDB 5.50941 -8.20000 -0.87000 -1.76000 -9.93000 -2.02000 8.98000 -12.93000 2.73000 5.75000 2.83000 0.00000 0.00000 0.00000 0.33000 0.61000 0.00000 -0.58000 0.00000 -0.73000 0.00000 2.38000 65.00000 PIN3_1CKA-29_18.PDB 5.12401 -8.67000 -0.96000 -2.48000 -10.28000 -2.59000 9.06000 -13.54000 3.76000 7.54000 2.53000 0.00000 0.00000 0.00000 0.11000 0.54000 0.00000 -0.50000 0.00000 -1.31000 0.00000 2.38000 65.00000 PIN3_1CKA-29_19.PDB 4.80352 -7.73000 -0.60000 -1.25000 -10.60000 -2.24000 9.29000 -14.19000 3.91000 6.49000 2.40000 0.00000 0.00000 0.00000 0.14000 0.62000 0.00000 -0.21000 0.00000 -0.87000 0.00000 2.38000 65.00000 PIN3_1CKA-29_20.PDB 6.09466 -8.81000 -0.49000 -4.91000 -9.33000 -2.17000 9.29000 -12.16000 2.79000 7.57000 2.12000 0.00000 0.00000 0.00000 0.21000 0.55000 0.00000 -0.38000 0.00000 -1.35000 0.00000 2.38000 65.00000 PIN3_1CKA-29_21.PDB 5.77024 -10.54000 -0.92000 -2.00000 -11.18000 -2.47000 10.41000 -14.38000 2.84000 6.34000 2.23000 0.00000 0.00000 0.00000 0.27000 0.61000 0.00000 -0.68000 0.00000 -1.02000 0.00000 2.38000 65.00000 PIN3_1CKA-29_22.PDB 5.03880 -7.14000 -0.97000 -1.09000 -9.79000 -2.48000 8.74000 -12.73000 4.33000 6.00000 2.17000 0.00000 0.00000 0.00000 0.15000 0.62000 0.00000 -0.42000 0.00000 -1.03000 0.00000 2.38000 65.00000 PIN3_1CKA-29_23.PDB 5.77290 -8.64000 -0.61000 -0.94000 -10.17000 -2.51000 8.93000 -13.53000 2.60000 6.13000 2.53000 0.00000 0.00000 0.00000 0.17000 0.51000 0.00000 -0.37000 0.00000 -0.86000 0.00000 2.38000 65.00000 PIN3_1CKA-29_24.PDB 5.20340 -9.36000 -0.51000 -1.48000 -10.79000 -1.91000 8.48000 -14.68000 4.11000 6.35000 2.18000 0.00000 0.00000 0.00000 0.16000 0.51000 0.00000 -0.56000 0.00000 -0.71000 0.00000 2.38000 65.00000 PIN3_1CKA-29_25.PDB 4.39593 -8.15000 -0.53000 -1.36000 -10.41000 -2.07000 8.71000 -13.86000 3.80000 6.39000 2.24000 0.00000 0.00000 0.00000 0.10000 0.52000 0.00000 -0.35000 0.00000 -0.80000 0.00000 2.38000 65.00000 PIN3_1CKA-29_26.PDB 4.98133 -9.37000 -1.05000 -2.05000 -10.93000 -2.25000 10.15000 -14.35000 3.73000 6.40000 2.20000 0.00000 0.00000 0.00000 0.14000 0.75000 0.00000 -0.31000 0.00000 -1.03000 0.00000 2.38000 65.00000 PIN3_1CKA-29_27.PDB 4.76850 -8.19000 -0.86000 -2.49000 -10.53000 -2.04000 9.04000 -13.98000 3.91000 7.81000 2.19000 0.00000 0.00000 0.00000 0.13000 0.48000 0.00000 -0.27000 0.00000 -1.10000 0.00000 2.38000 65.00000 PIN3_1CKA-29_28.PDB 4.55480 -8.74000 -0.89000 -3.35000 -9.71000 -2.16000 9.19000 -12.62000 2.49000 6.93000 2.37000 0.00000 0.00000 0.00000 0.13000 0.61000 0.00000 -0.27000 0.00000 -0.86000 0.00000 2.38000 65.00000 PIN3_1CKA-29_29.PDB 4.72847 -8.31000 -1.04000 -3.33000 -9.74000 -2.00000 8.52000 -12.79000 3.92000 6.95000 3.06000 0.00000 0.00000 0.00000 0.09000 0.48000 0.00000 -0.62000 0.00000 -1.33000 0.00000 2.38000 65.00000 PIN3_1CKA-29_30.PDB 4.92638 -8.92000 -1.05000 -1.69000 -10.61000 -2.48000 9.24000 -14.13000 4.13000 6.34000 2.34000 0.00000 0.00000 0.00000 0.14000 0.63000 0.00000 -0.21000 0.00000 -0.93000 0.00000 2.38000 65.00000