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-20_1.PDB 3.69622 -11.74000 -2.35000 -5.01000 -11.26000 -1.80000 11.57000 -14.51000 1.25000 8.20000 4.01000 0.00000 0.00000 0.00000 0.13000 0.56000 0.00000 -0.68000 0.00000 -1.29000 0.00000 2.38000 64.00000 PIN3_1CKB-20_2.PDB 4.42747 -9.85000 -1.64000 -4.26000 -11.19000 -1.90000 11.04000 -14.92000 3.55000 7.64000 4.12000 0.00000 0.00000 0.00000 0.14000 0.38000 0.00000 -1.08000 0.00000 -1.35000 0.00000 2.38000 64.00000 PIN3_1CKB-20_3.PDB 3.29812 -9.17000 -2.21000 -5.46000 -12.33000 -1.66000 11.40000 -16.50000 7.03000 8.86000 3.68000 0.00000 0.00000 0.00000 0.09000 0.57000 0.00000 -0.82000 0.00000 -1.25000 0.00000 2.38000 64.00000 PIN3_1CKB-20_4.PDB 4.30673 -10.12000 -1.99000 -3.19000 -10.75000 -1.59000 10.09000 -14.25000 1.84000 7.73000 3.89000 0.00000 0.00000 0.00000 0.26000 0.46000 0.00000 -0.94000 0.00000 -1.21000 0.00000 2.38000 64.00000 PIN3_1CKB-20_5.PDB 5.22478 -8.49000 -1.01000 -3.50000 -9.84000 -0.83000 8.60000 -13.56000 2.67000 7.17000 3.51000 0.00000 0.00000 0.00000 0.11000 0.18000 0.00000 -0.85000 0.00000 -0.96000 0.00000 2.38000 64.00000 PIN3_1CKB-20_6.PDB 3.38923 -10.59000 -2.63000 -3.91000 -12.21000 -1.80000 10.93000 -16.21000 4.28000 8.87000 4.05000 0.00000 0.00000 0.00000 0.12000 0.59000 0.00000 -0.76000 0.00000 -1.33000 0.00000 2.38000 64.00000 PIN3_1CKB-20_7.PDB 8.34168 -8.24000 -2.00000 -5.25000 -10.66000 -1.33000 10.43000 -13.82000 3.20000 8.82000 4.24000 0.00000 0.00000 0.00000 0.13000 0.56000 0.00000 -0.78000 0.00000 -1.22000 0.00000 2.38000 64.00000 PIN3_1CKB-20_8.PDB 4.63302 -11.01000 -2.06000 -5.50000 -10.99000 -1.90000 11.21000 -14.29000 2.23000 8.12000 4.34000 0.00000 0.00000 0.00000 0.11000 0.28000 0.00000 -0.82000 0.00000 -1.46000 0.00000 2.38000 64.00000 PIN3_1CKB-20_9.PDB 7.54958 -8.67000 -1.99000 -2.74000 -11.12000 -1.09000 9.90000 -14.98000 3.33000 7.74000 3.61000 0.00000 0.00000 0.00000 0.38000 0.70000 0.00000 -0.77000 0.00000 -0.95000 0.00000 2.38000 64.00000 PIN3_1CKB-20_10.PDB 5.06023 -9.28000 -1.98000 -4.39000 -11.17000 -1.26000 10.39000 -14.65000 2.79000 8.58000 4.43000 0.00000 0.00000 0.00000 0.14000 0.45000 0.00000 -0.96000 0.00000 -1.20000 0.00000 2.38000 64.00000 PIN3_1CKB-20_11.PDB 3.67758 -11.85000 -2.02000 -5.25000 -11.29000 -1.87000 11.09000 -14.88000 2.45000 8.60000 3.56000 0.00000 0.00000 0.00000 0.13000 0.45000 0.00000 -1.09000 0.00000 -1.27000 0.00000 2.38000 64.00000 PIN3_1CKB-20_12.PDB 3.73810 -13.10000 -2.68000 -3.36000 -11.05000 -1.79000 9.86000 -14.58000 1.69000 7.49000 3.85000 0.00000 0.00000 0.00000 0.12000 0.50000 0.00000 -1.35000 0.00000 -1.30000 0.00000 2.38000 64.00000 PIN3_1CKB-20_13.PDB 4.66602 -10.81000 -2.73000 -3.93000 -11.33000 -1.32000 10.60000 -14.73000 1.54000 8.58000 4.74000 0.00000 0.00000 0.00000 0.14000 0.52000 0.00000 -1.28000 0.00000 -1.10000 0.00000 2.38000 64.00000 PIN3_1CKB-20_14.PDB 5.03754 -11.36000 -2.82000 -5.18000 -12.10000 -1.33000 11.80000 -15.55000 1.67000 9.79000 4.30000 0.00000 0.00000 0.00000 0.10000 0.50000 0.00000 -0.77000 0.00000 -1.27000 0.00000 2.38000 64.00000 PIN3_1CKB-20_15.PDB 5.44860 -11.02000 -2.69000 -4.94000 -11.51000 -1.64000 11.34000 -14.69000 1.78000 8.97000 3.99000 0.00000 0.00000 0.00000 0.44000 0.54000 0.00000 -0.80000 0.00000 -1.27000 0.00000 2.38000 64.00000 PIN3_1CKB-20_16.PDB 3.81683 -13.70000 -2.75000 -5.81000 -11.48000 -2.32000 11.34000 -14.80000 2.39000 8.44000 3.55000 0.00000 0.00000 0.00000 0.19000 0.66000 0.00000 -0.85000 0.00000 -1.59000 0.00000 2.38000 64.00000 PIN3_1CKB-20_17.PDB 3.21796 -12.90000 -2.17000 -5.62000 -12.23000 -1.61000 10.90000 -16.54000 3.35000 9.17000 3.69000 0.00000 0.00000 0.00000 0.06000 0.64000 0.00000 -0.73000 0.00000 -1.17000 0.00000 2.38000 64.00000 PIN3_1CKB-20_18.PDB 3.64673 -12.95000 -2.19000 -5.41000 -11.98000 -1.91000 11.59000 -15.98000 2.85000 8.63000 3.93000 0.00000 0.00000 0.00000 0.09000 0.51000 0.00000 -1.19000 0.00000 -1.38000 0.00000 2.38000 64.00000 PIN3_1CKB-20_19.PDB 4.36423 -12.53000 -2.60000 -4.98000 -12.21000 -1.35000 11.11000 -15.96000 2.44000 8.90000 4.32000 0.00000 0.00000 0.00000 0.12000 0.68000 0.00000 -1.17000 0.00000 -1.15000 0.00000 2.38000 64.00000 PIN3_1CKB-20_20.PDB 5.04477 -9.53000 -2.43000 -5.09000 -11.83000 -1.91000 11.93000 -15.50000 4.75000 8.58000 3.67000 0.00000 0.00000 0.00000 0.28000 0.57000 0.00000 -0.64000 0.00000 -1.35000 0.00000 2.38000 64.00000 PIN3_1CKB-20_21.PDB 3.59313 -12.45000 -2.21000 -5.37000 -11.67000 -1.75000 11.25000 -15.48000 2.49000 8.67000 3.57000 0.00000 0.00000 0.00000 0.07000 0.46000 0.00000 -0.76000 0.00000 -1.26000 0.00000 2.38000 64.00000 PIN3_1CKB-20_22.PDB 4.93435 -12.24000 -1.90000 -5.93000 -10.57000 -1.89000 10.58000 -13.67000 1.52000 8.09000 3.62000 0.00000 0.00000 0.00000 0.37000 0.58000 0.00000 -1.09000 0.00000 -1.37000 0.00000 2.38000 64.00000 PIN3_1CKB-20_23.PDB 5.03741 -10.94000 -1.66000 -7.62000 -10.56000 -2.03000 12.00000 -12.97000 1.40000 9.26000 3.70000 0.00000 0.00000 0.00000 0.14000 0.38000 0.00000 -0.97000 0.00000 -1.63000 0.00000 2.38000 64.00000 PIN3_1CKB-20_24.PDB 3.86074 -11.24000 -2.17000 -4.75000 -11.61000 -1.25000 10.49000 -15.53000 2.22000 9.29000 3.92000 0.00000 0.00000 0.00000 0.04000 0.41000 0.00000 -0.75000 0.00000 -1.14000 0.00000 2.38000 64.00000 PIN3_1CKB-20_25.PDB 3.97253 -9.58000 -2.55000 -3.27000 -11.46000 -1.47000 10.36000 -15.36000 3.56000 8.25000 4.07000 0.00000 0.00000 0.00000 0.27000 0.48000 0.00000 -0.82000 0.00000 -1.15000 0.00000 2.38000 64.00000 PIN3_1CKB-20_26.PDB 4.41160 -7.97000 -1.94000 -1.84000 -9.42000 -0.25000 8.03000 -12.87000 1.48000 5.94000 3.55000 0.00000 0.00000 0.00000 0.19000 0.24000 0.00000 -0.53000 0.00000 -0.30000 0.00000 2.38000 64.00000 PIN3_1CKB-20_27.PDB 5.20920 -12.43000 -2.18000 -6.03000 -10.89000 -1.70000 10.78000 -14.14000 1.71000 8.02000 3.57000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.46000 0.00000 -1.21000 0.00000 2.38000 64.00000 PIN3_1CKB-20_28.PDB 3.70833 -12.46000 -1.97000 -5.21000 -12.00000 -1.88000 11.29000 -16.12000 2.81000 9.14000 3.61000 0.00000 0.00000 0.00000 0.16000 0.62000 0.00000 -0.96000 0.00000 -1.33000 0.00000 2.38000 64.00000 PIN3_1CKB-20_29.PDB 7.47020 -7.44000 -1.94000 -6.33000 -10.73000 -1.78000 12.00000 -13.48000 3.24000 8.61000 4.56000 0.00000 0.00000 0.00000 0.25000 0.82000 0.00000 -0.56000 0.00000 -1.28000 0.00000 2.38000 64.00000 PIN3_1CKB-20_30.PDB 3.46306 -11.01000 -1.84000 -4.15000 -11.86000 -1.70000 10.21000 -16.10000 2.82000 9.16000 4.26000 0.00000 0.00000 0.00000 0.15000 0.50000 0.00000 -0.74000 0.00000 -1.23000 0.00000 2.38000 64.00000