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_1CKB-28_1.PDB 4.21299 -9.59000 -1.31000 -1.27000 -10.81000 -0.47000 8.86000 -15.06000 2.89000 5.79000 2.25000 0.00000 0.00000 0.00000 0.12000 1.33000 0.00000 -0.53000 0.00000 -0.04000 0.00000 2.38000 65.00000 PIN3_1CKB-28_2.PDB 4.46080 -10.44000 -1.33000 -1.27000 -11.19000 -0.46000 8.70000 -15.79000 2.70000 6.00000 2.55000 0.00000 0.00000 0.00000 0.09000 1.38000 0.00000 -0.38000 0.00000 -0.05000 0.00000 2.38000 65.00000 PIN3_1CKB-28_3.PDB 3.69236 -11.30000 -1.29000 -5.00000 -11.74000 -0.52000 10.00000 -15.94000 2.87000 7.72000 3.00000 0.00000 0.00000 0.00000 0.13000 1.38000 0.00000 -0.45000 0.00000 -0.09000 0.00000 2.38000 65.00000 PIN3_1CKB-28_4.PDB 5.05155 -9.34000 -1.28000 -1.31000 -10.44000 -0.34000 8.45000 -14.54000 2.57000 5.54000 2.35000 0.00000 0.00000 0.00000 0.10000 1.13000 0.00000 -0.42000 0.00000 -0.01000 0.00000 2.38000 65.00000 PIN3_1CKB-28_5.PDB 4.45554 -11.33000 -1.30000 -1.27000 -12.14000 -0.35000 8.94000 -17.26000 3.10000 6.55000 2.61000 0.00000 0.00000 0.00000 0.16000 1.54000 0.00000 -0.32000 0.00000 -0.05000 0.00000 2.38000 65.00000 PIN3_1CKB-28_6.PDB 4.03263 -10.92000 -1.29000 -4.03000 -11.17000 -0.52000 9.26000 -15.27000 2.75000 7.08000 2.99000 0.00000 0.00000 0.00000 0.10000 1.25000 0.00000 -0.63000 0.00000 -0.17000 0.00000 2.38000 65.00000 PIN3_1CKB-28_7.PDB 4.22812 -9.66000 -1.29000 -1.27000 -10.41000 -0.48000 8.48000 -14.60000 2.87000 5.46000 2.02000 0.00000 0.00000 0.00000 0.08000 1.23000 0.00000 -0.41000 0.00000 -0.09000 0.00000 2.38000 65.00000 PIN3_1CKB-28_8.PDB 3.77501 -11.02000 -1.32000 -1.27000 -11.54000 -0.45000 8.34000 -16.48000 2.99000 6.51000 2.85000 0.00000 0.00000 0.00000 0.11000 1.32000 0.00000 -0.71000 0.00000 -0.05000 0.00000 2.38000 65.00000 PIN3_1CKB-28_9.PDB 4.34419 -10.76000 -1.30000 -1.26000 -11.40000 -0.40000 9.27000 -16.02000 2.17000 6.15000 2.40000 0.00000 0.00000 0.00000 0.13000 1.42000 0.00000 -0.47000 0.00000 -0.02000 0.00000 2.38000 65.00000 PIN3_1CKB-28_10.PDB 2.91623 -11.27000 -1.27000 -4.01000 -11.41000 -0.50000 9.36000 -15.68000 2.49000 7.23000 2.90000 0.00000 0.00000 0.00000 0.09000 1.32000 0.00000 -0.39000 0.00000 -0.07000 0.00000 2.38000 65.00000 PIN3_1CKB-28_11.PDB 4.18616 -10.46000 -1.32000 -1.27000 -11.40000 -0.57000 8.88000 -16.14000 3.00000 6.17000 2.55000 0.00000 0.00000 0.00000 0.12000 1.37000 0.00000 -0.37000 0.00000 -0.12000 0.00000 2.38000 65.00000 PIN3_1CKB-28_12.PDB 3.82301 -10.48000 -1.32000 -1.27000 -11.50000 -0.47000 8.51000 -16.38000 3.00000 6.54000 3.07000 0.00000 0.00000 0.00000 0.10000 1.34000 0.00000 -0.70000 0.00000 -0.05000 0.00000 2.38000 65.00000 PIN3_1CKB-28_13.PDB 4.30590 -9.21000 -1.31000 -1.31000 -10.55000 -0.34000 8.15000 -15.06000 4.07000 5.35000 2.13000 0.00000 0.00000 0.00000 0.15000 1.36000 0.00000 -0.43000 0.00000 -0.05000 0.00000 2.38000 65.00000 PIN3_1CKB-28_14.PDB 3.24699 -10.38000 -1.31000 -3.65000 -11.27000 -0.29000 9.24000 -15.41000 2.65000 6.86000 3.06000 0.00000 0.00000 0.00000 0.09000 1.36000 0.00000 -0.43000 0.00000 0.07000 0.00000 2.38000 65.00000 PIN3_1CKB-28_15.PDB 4.31875 -10.88000 -1.34000 -1.27000 -11.82000 -0.40000 9.19000 -16.79000 2.87000 6.38000 2.61000 0.00000 0.00000 0.00000 0.11000 1.48000 0.00000 -0.39000 0.00000 -0.03000 0.00000 2.38000 65.00000 PIN3_1CKB-28_16.PDB 4.77421 -9.49000 -1.35000 -1.31000 -11.01000 -0.42000 9.15000 -15.40000 2.95000 5.97000 2.52000 0.00000 0.00000 0.00000 0.14000 1.21000 0.00000 -0.72000 0.00000 -0.01000 0.00000 2.38000 65.00000 PIN3_1CKB-28_17.PDB 2.95394 -10.57000 -1.38000 -4.47000 -11.53000 -0.43000 9.79000 -15.65000 3.10000 7.29000 3.04000 0.00000 0.00000 0.00000 0.09000 1.40000 0.00000 -0.37000 0.00000 -0.04000 0.00000 2.38000 65.00000 PIN3_1CKB-28_18.PDB 3.44376 -10.80000 -1.31000 -1.31000 -11.72000 -0.53000 8.80000 -16.69000 2.67000 6.79000 2.96000 0.00000 0.00000 0.00000 0.09000 1.32000 0.00000 -0.43000 0.00000 -0.12000 0.00000 2.38000 65.00000 PIN3_1CKB-28_19.PDB 3.81359 -10.96000 -1.28000 -4.76000 -11.98000 -0.49000 9.58000 -16.60000 4.47000 7.60000 2.84000 0.00000 0.00000 0.00000 0.19000 1.55000 0.00000 -0.42000 0.00000 -0.10000 0.00000 2.38000 65.00000 PIN3_1CKB-28_20.PDB 3.08172 -11.23000 -1.29000 -5.27000 -11.48000 -0.33000 9.79000 -15.53000 2.42000 7.64000 3.13000 0.00000 0.00000 0.00000 0.07000 1.30000 0.00000 -0.40000 0.00000 0.03000 0.00000 2.38000 65.00000 PIN3_1CKB-28_21.PDB 3.36438 -11.32000 -1.30000 -1.26000 -12.34000 -0.44000 8.56000 -17.89000 4.45000 6.72000 2.61000 0.00000 0.00000 0.00000 0.22000 1.60000 0.00000 -0.58000 0.00000 -0.07000 0.00000 2.38000 65.00000 PIN3_1CKB-28_22.PDB 2.64688 -10.46000 -1.41000 -1.39000 -11.92000 -0.39000 8.73000 -16.97000 3.54000 6.87000 2.72000 0.00000 0.00000 0.00000 0.09000 1.37000 0.00000 -0.39000 0.00000 0.05000 0.00000 2.38000 65.00000 PIN3_1CKB-28_23.PDB 3.85657 -10.31000 -1.29000 -4.18000 -11.49000 -0.32000 9.02000 -15.85000 4.28000 7.19000 2.75000 0.00000 0.00000 0.00000 0.14000 1.38000 0.00000 -0.50000 0.00000 -0.07000 0.00000 2.38000 65.00000 PIN3_1CKB-28_24.PDB 4.14361 -10.50000 -1.29000 -4.61000 -11.25000 -0.28000 9.25000 -15.37000 2.88000 7.22000 3.17000 0.00000 0.00000 0.00000 0.12000 1.24000 0.00000 -0.44000 0.00000 0.09000 0.00000 2.38000 65.00000 PIN3_1CKB-28_25.PDB 4.02142 -11.43000 -1.29000 -4.74000 -11.71000 -0.52000 9.90000 -15.92000 2.69000 7.76000 2.98000 0.00000 0.00000 0.00000 0.11000 1.45000 0.00000 -0.60000 0.00000 -0.09000 0.00000 2.38000 65.00000 PIN3_1CKB-28_26.PDB 4.57322 -11.36000 -1.35000 -1.26000 -11.73000 -0.41000 9.01000 -16.68000 2.40000 6.30000 2.82000 0.00000 0.00000 0.00000 0.10000 1.37000 0.00000 -0.53000 0.00000 -0.01000 0.00000 2.38000 65.00000 PIN3_1CKB-28_27.PDB 3.41540 -10.92000 -1.29000 -4.07000 -11.68000 -0.44000 9.75000 -15.99000 2.85000 7.41000 2.94000 0.00000 0.00000 0.00000 0.07000 1.30000 0.00000 -0.41000 0.00000 -0.06000 0.00000 2.38000 65.00000 PIN3_1CKB-28_28.PDB 4.38554 -10.49000 -1.35000 -1.36000 -11.46000 -0.43000 8.46000 -16.35000 2.71000 6.49000 3.03000 0.00000 0.00000 0.00000 0.15000 1.44000 0.00000 -0.37000 0.00000 -0.02000 0.00000 2.38000 65.00000 PIN3_1CKB-28_29.PDB 4.02872 -10.75000 -1.36000 -1.31000 -12.63000 -0.54000 8.73000 -18.19000 4.67000 7.14000 3.02000 0.00000 0.00000 0.00000 0.18000 1.72000 0.00000 -0.32000 0.00000 -0.13000 0.00000 2.38000 65.00000 PIN3_1CKB-28_30.PDB 3.37520 -10.53000 -1.32000 -1.27000 -11.87000 -0.40000 8.77000 -16.91000 2.93000 6.73000 3.10000 0.00000 0.00000 0.00000 0.08000 1.38000 0.00000 -0.39000 0.00000 0.02000 0.00000 2.38000 65.00000