name total energy Backbone Hbon 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-28_1.PDB 6.03000 -37.00000 -6.45000 -65.31000 -1.01000 75.78000 -86.22000 14.21000 30.70000 81.75000 0.00000 0.00000 0.00000 2.02000 16.83000 0.00000 -2.09000 0.00000 -0.34000 0.00000 0.00000 65.00000 PIN3_1CKA-28_2.PDB 4.94000 -36.80000 -6.20000 -65.68000 -0.95000 76.70000 -86.25000 13.92000 30.09000 80.02000 0.00000 0.00000 0.00000 2.25000 16.83000 0.00000 -1.93000 0.00000 -0.24000 0.00000 0.00000 65.00000 PIN3_1CKA-28_3.PDB 8.25000 -37.54000 -6.96000 -66.71000 -0.79000 78.29000 -87.24000 14.79000 31.46000 82.99000 0.00000 0.00000 0.00000 2.30000 16.94000 0.00000 -2.04000 0.00000 -0.30000 0.00000 0.00000 65.00000 PIN3_1CKA-28_4.PDB 6.41000 -36.76000 -6.16000 -65.90000 -0.90000 77.20000 -86.50000 13.93000 30.13000 81.38000 0.00000 0.00000 0.00000 2.33000 16.89000 0.00000 -2.15000 0.00000 -0.19000 0.00000 0.00000 65.00000 PIN3_1CKA-28_5.PDB 7.75000 -37.90000 -7.35000 -65.79000 -1.10000 77.88000 -86.31000 14.65000 31.51000 82.23000 0.00000 0.00000 0.00000 2.27000 16.84000 0.00000 -2.01000 0.00000 -0.32000 0.00000 0.00000 65.00000 PIN3_1CKA-28_6.PDB 8.44000 -36.88000 -6.41000 -65.30000 -0.89000 76.44000 -85.97000 13.85000 30.72000 82.90000 0.00000 0.00000 0.00000 2.20000 17.19000 0.00000 -1.84000 0.00000 -0.37000 0.00000 0.00000 65.00000 PIN3_1CKA-28_7.PDB 6.53000 -37.40000 -6.89000 -65.01000 -1.42000 76.71000 -85.32000 13.68000 31.06000 81.47000 0.00000 0.00000 0.00000 1.92000 16.89000 0.00000 -1.87000 0.00000 -0.40000 0.00000 0.00000 65.00000 PIN3_1CKA-28_8.PDB 6.17000 -37.01000 -9.09000 -66.81000 -2.62000 78.08000 -87.56000 17.47000 31.87000 82.51000 0.00000 0.00000 0.00000 2.05000 17.03000 0.00000 -1.93000 0.00000 -0.79000 0.00000 0.00000 65.00000 PIN3_1CKA-28_9.PDB 9.97000 -36.44000 -5.99000 -65.20000 -0.80000 76.18000 -86.11000 14.49000 30.15000 83.62000 0.00000 0.00000 0.00000 2.05000 17.07000 0.00000 -1.66000 0.00000 -0.33000 0.00000 0.00000 65.00000 PIN3_1CKA-28_10.PDB 4.17000 -36.48000 -6.97000 -65.97000 -3.37000 77.86000 -86.00000 14.90000 30.95000 80.45000 0.00000 0.00000 0.00000 1.92000 16.87000 0.00000 -2.35000 0.00000 -0.76000 0.00000 0.00000 65.00000 PIN3_1CKA-28_11.PDB 6.70000 -36.72000 -6.20000 -65.81000 -0.98000 77.20000 -86.13000 14.06000 30.24000 81.24000 0.00000 0.00000 0.00000 2.18000 17.29000 0.00000 -2.08000 0.00000 -0.31000 0.00000 0.00000 65.00000 PIN3_1CKA-28_12.PDB 8.04000 -36.16000 -5.60000 -65.08000 -0.83000 75.78000 -86.03000 13.96000 29.80000 82.40000 0.00000 0.00000 0.00000 2.10000 16.71000 0.00000 -2.09000 0.00000 -0.19000 0.00000 0.00000 65.00000 PIN3_1CKA-28_13.PDB 8.74000 -36.92000 -6.38000 -65.51000 -1.07000 76.44000 -86.43000 14.04000 31.14000 83.35000 0.00000 0.00000 0.00000 2.51000 16.69000 0.00000 -1.92000 0.00000 -0.51000 0.00000 0.00000 65.00000 PIN3_1CKA-28_14.PDB 9.58000 -36.49000 -5.94000 -66.41000 -0.84000 76.79000 -87.50000 13.62000 31.85000 84.16000 0.00000 0.00000 0.00000 2.64000 16.85000 0.00000 -1.79000 0.00000 -0.51000 0.00000 0.00000 65.00000 PIN3_1CKA-28_15.PDB 6.32000 -36.95000 -6.41000 -64.74000 -0.99000 75.46000 -85.39000 14.74000 30.29000 80.70000 0.00000 0.00000 0.00000 2.07000 16.45000 0.00000 -2.15000 0.00000 -0.30000 0.00000 0.00000 65.00000 PIN3_1CKA-28_16.PDB 9.79000 -36.74000 -6.20000 -66.22000 -0.96000 77.77000 -86.61000 15.70000 30.32000 82.80000 0.00000 0.00000 0.00000 2.38000 17.44000 0.00000 -2.11000 0.00000 -0.33000 0.00000 0.00000 65.00000 PIN3_1CKA-28_17.PDB 7.70000 -36.18000 -5.62000 -64.40000 -1.28000 75.68000 -84.83000 13.83000 29.30000 81.09000 0.00000 0.00000 0.00000 2.08000 16.82000 0.00000 -1.81000 0.00000 -0.17000 0.00000 0.00000 65.00000 PIN3_1CKA-28_18.PDB 7.40000 -36.96000 -6.40000 -65.77000 -0.72000 76.56000 -86.54000 14.95000 30.96000 81.62000 0.00000 0.00000 0.00000 2.21000 16.61000 0.00000 -2.20000 0.00000 -0.31000 0.00000 0.00000 65.00000 PIN3_1CKA-28_19.PDB 8.67000 -36.65000 -6.16000 -65.40000 -1.46000 76.76000 -85.83000 14.36000 30.44000 82.83000 0.00000 0.00000 0.00000 2.18000 17.21000 0.00000 -1.94000 0.00000 -0.45000 0.00000 0.00000 65.00000 PIN3_1CKA-28_20.PDB 5.63000 -36.14000 -5.59000 -64.20000 -0.85000 74.78000 -84.78000 14.63000 29.14000 78.96000 0.00000 0.00000 0.00000 1.97000 16.32000 0.00000 -2.10000 0.00000 -0.18000 0.00000 0.00000 65.00000 PIN3_1CKA-28_21.PDB 7.08000 -36.77000 -6.18000 -65.70000 -1.00000 76.97000 -86.09000 14.33000 30.27000 81.67000 0.00000 0.00000 0.00000 2.17000 16.90000 0.00000 -2.25000 0.00000 -0.35000 0.00000 0.00000 65.00000 PIN3_1CKA-28_22.PDB 6.28000 -36.82000 -6.22000 -65.40000 -0.84000 76.73000 -85.73000 14.54000 29.78000 80.53000 0.00000 0.00000 0.00000 2.19000 16.57000 0.00000 -2.34000 0.00000 -0.14000 0.00000 0.00000 65.00000 PIN3_1CKA-28_23.PDB 8.91000 -36.17000 -5.61000 -65.66000 -1.09000 76.54000 -86.65000 13.78000 30.48000 83.10000 0.00000 0.00000 0.00000 2.61000 16.82000 0.00000 -2.03000 0.00000 -0.40000 0.00000 0.00000 65.00000 PIN3_1CKA-28_24.PDB 8.74000 -36.89000 -9.73000 -65.80000 -1.21000 77.55000 -86.26000 13.78000 33.37000 83.88000 0.00000 0.00000 0.00000 2.22000 17.26000 0.00000 -1.87000 0.00000 -0.29000 0.00000 0.00000 65.00000 PIN3_1CKA-28_25.PDB 8.80000 -36.53000 -5.94000 -65.34000 -1.32000 76.11000 -85.91000 13.77000 30.97000 83.23000 0.00000 0.00000 0.00000 2.24000 16.53000 0.00000 -1.96000 0.00000 -0.52000 0.00000 0.00000 65.00000 PIN3_1CKA-28_26.PDB 6.03000 -37.26000 -9.66000 -66.52000 -3.27000 78.41000 -86.81000 18.11000 31.38000 82.27000 0.00000 0.00000 0.00000 2.08000 17.03000 0.00000 -1.91000 0.00000 -0.79000 0.00000 0.00000 65.00000 PIN3_1CKA-28_27.PDB 9.48000 -36.95000 -6.37000 -65.88000 -1.23000 77.22000 -86.26000 13.94000 31.14000 83.92000 0.00000 0.00000 0.00000 2.47000 16.87000 0.00000 -2.09000 0.00000 -0.43000 0.00000 0.00000 65.00000 PIN3_1CKA-28_28.PDB 9.18000 -36.86000 -6.36000 -64.49000 -0.81000 75.55000 -84.78000 15.15000 30.09000 81.79000 0.00000 0.00000 0.00000 2.23000 16.89000 0.00000 -2.05000 0.00000 -0.28000 0.00000 0.00000 65.00000 PIN3_1CKA-28_29.PDB 10.39000 -36.86000 -7.51000 -64.71000 -0.84000 75.57000 -85.11000 16.07000 30.75000 83.21000 0.00000 0.00000 0.00000 1.91000 17.36000 0.00000 -1.73000 0.00000 -0.38000 0.00000 0.00000 65.00000 PIN3_1CKA-28_30.PDB 7.63000 -36.11000 -5.62000 -64.73000 -1.35000 75.81000 -85.00000 14.33000 29.47000 80.92000 0.00000 0.00000 0.00000 2.10000 17.40000 0.00000 -1.88000 0.00000 -0.32000 0.00000 0.00000 65.00000