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 1KSW3_1.PDB 3.87686 -14.25000 -1.83000 -6.27000 -11.30000 -1.11000 10.09000 -14.91000 0.93000 7.24000 4.06000 0.00000 0.00000 0.00000 0.13000 0.59000 0.00000 -0.85000 0.00000 -0.44000 0.00000 2.38000 68.00000 1KSW3_2.PDB 3.88051 -13.76000 -2.80000 -5.71000 -11.02000 -0.51000 10.63000 -14.33000 0.91000 6.19000 3.74000 0.00000 0.00000 0.00000 0.15000 0.57000 0.00000 -1.08000 0.00000 0.07000 0.00000 2.38000 68.00000 1KSW3_3.PDB 3.85066 -13.54000 -1.94000 -5.37000 -11.31000 -1.06000 10.01000 -14.94000 1.12000 7.09000 4.05000 0.00000 0.00000 0.00000 0.13000 0.57000 0.00000 -0.90000 0.00000 -0.44000 0.00000 2.38000 68.00000 1KSW3_4.PDB 3.86602 -12.91000 -1.94000 -4.96000 -10.81000 -0.49000 9.17000 -14.25000 0.88000 6.45000 3.71000 0.00000 0.00000 0.00000 0.12000 0.57000 0.00000 -0.86000 0.00000 0.07000 0.00000 2.38000 68.00000 1KSW3_5.PDB 4.61359 -13.05000 -1.98000 -5.15000 -11.46000 -0.66000 9.99000 -15.10000 2.42000 6.36000 3.36000 0.00000 0.00000 0.00000 0.23000 0.65000 0.00000 -0.61000 0.00000 -0.44000 0.00000 2.38000 68.00000 1KSW3_6.PDB 4.00370 -13.06000 -2.55000 -5.63000 -11.01000 -0.56000 10.47000 -14.39000 1.58000 6.41000 3.52000 0.00000 0.00000 0.00000 0.09000 0.53000 0.00000 -1.06000 0.00000 0.07000 0.00000 2.38000 68.00000 1KSW3_7.PDB 3.88550 -13.88000 -1.77000 -6.26000 -11.42000 -1.09000 10.19000 -15.14000 1.29000 7.36000 4.10000 0.00000 0.00000 0.00000 0.14000 0.56000 0.00000 -0.82000 0.00000 -0.44000 0.00000 2.38000 68.00000 1KSW3_8.PDB 3.70253 -12.07000 -1.48000 -4.62000 -9.65000 -0.34000 7.76000 -13.10000 0.63000 5.61000 3.54000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.49000 0.00000 0.06000 0.00000 2.38000 68.00000 1KSW3_9.PDB 4.02219 -14.58000 -2.04000 -6.57000 -11.41000 -1.09000 10.40000 -14.98000 0.99000 7.28000 4.17000 0.00000 0.00000 0.00000 0.13000 0.57000 0.00000 -1.01000 0.00000 -0.44000 0.00000 2.38000 68.00000 1KSW3_10.PDB 3.83130 -11.39000 -2.55000 -4.08000 -10.33000 -0.58000 10.21000 -13.36000 1.24000 5.49000 3.36000 0.00000 0.00000 0.00000 0.13000 0.45000 0.00000 -0.99000 0.00000 0.07000 0.00000 2.38000 68.00000 1KSW3_11.PDB 5.07499 -12.64000 -2.69000 -4.47000 -10.96000 -0.35000 9.81000 -14.36000 2.47000 5.39000 3.12000 0.00000 0.00000 0.00000 0.23000 0.65000 0.00000 -0.61000 0.00000 -0.22000 0.00000 2.38000 68.00000 1KSW3_12.PDB 5.22845 -14.24000 -1.90000 -6.39000 -11.32000 -1.12000 10.19000 -14.90000 1.17000 7.15000 4.09000 0.00000 0.00000 0.00000 0.10000 0.52000 0.00000 -0.84000 0.00000 -0.45000 0.00000 2.38000 68.00000 1KSW3_13.PDB 3.90661 -14.06000 -2.79000 -5.88000 -11.03000 -0.67000 10.58000 -14.31000 0.88000 5.88000 4.05000 0.00000 0.00000 0.00000 0.14000 0.55000 0.00000 -0.99000 0.00000 0.07000 0.00000 2.38000 68.00000 1KSW3_14.PDB 3.79476 -13.69000 -1.70000 -5.89000 -10.23000 -1.23000 9.13000 -13.64000 0.67000 6.45000 3.99000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.51000 0.00000 -0.75000 0.00000 2.38000 68.00000 1KSW3_15.PDB 5.95033 -14.04000 -2.01000 -5.87000 -11.19000 -0.16000 9.40000 -14.70000 1.22000 6.15000 3.15000 0.00000 0.00000 0.00000 0.42000 0.76000 0.00000 -0.55000 0.00000 0.09000 0.00000 2.38000 68.00000 1KSW3_16.PDB 3.92032 -15.15000 -2.00000 -6.58000 -11.33000 -1.42000 10.44000 -14.80000 0.89000 7.05000 4.16000 0.00000 0.00000 0.00000 0.13000 0.58000 0.00000 -0.93000 0.00000 -0.77000 0.00000 2.38000 68.00000 1KSW3_17.PDB 4.91539 -12.61000 -1.79000 -3.65000 -10.81000 -0.37000 8.76000 -14.31000 2.15000 4.95000 2.93000 0.00000 0.00000 0.00000 0.21000 0.66000 0.00000 -0.48000 0.00000 -0.21000 0.00000 2.38000 68.00000 1KSW3_18.PDB 6.26882 -12.21000 -1.13000 -4.30000 -11.45000 -0.75000 9.77000 -15.15000 3.33000 4.82000 3.69000 0.00000 0.00000 0.00000 0.09000 0.76000 0.00000 -0.90000 0.00000 -0.24000 0.00000 2.38000 68.00000 1KSW3_19.PDB 3.74186 -13.10000 -1.11000 -5.98000 -9.51000 -0.45000 7.77000 -13.04000 0.76000 5.31000 3.57000 0.00000 0.00000 0.00000 0.01000 0.38000 0.00000 -0.53000 0.00000 0.09000 0.00000 2.38000 68.00000 1KSW3_20.PDB 4.49104 -13.00000 -2.01000 -5.50000 -11.12000 -0.12000 9.35000 -14.63000 2.17000 5.97000 3.14000 0.00000 0.00000 0.00000 0.22000 0.64000 0.00000 -0.55000 0.00000 0.09000 0.00000 2.38000 68.00000 1KSW3_21.PDB 4.18957 -14.83000 -2.07000 -6.40000 -11.34000 -1.32000 10.28000 -14.89000 0.97000 7.22000 4.07000 0.00000 0.00000 0.00000 0.14000 0.56000 0.00000 -0.77000 0.00000 -0.72000 0.00000 2.38000 68.00000 1KSW3_22.PDB 3.91878 -14.56000 -2.00000 -6.80000 -11.24000 -0.63000 9.74000 -14.88000 1.02000 6.77000 4.01000 0.00000 0.00000 0.00000 0.15000 0.57000 0.00000 -0.80000 0.00000 0.09000 0.00000 2.38000 68.00000 1KSW3_23.PDB 3.82157 -12.88000 -1.88000 -4.97000 -10.63000 -0.20000 8.86000 -14.16000 1.14000 5.62000 3.71000 0.00000 0.00000 0.00000 0.09000 0.49000 0.00000 -0.54000 0.00000 0.07000 0.00000 2.38000 68.00000 1KSW3_24.PDB 3.77839 -13.60000 -1.88000 -6.38000 -10.09000 -0.93000 8.97000 -13.52000 0.62000 6.94000 3.90000 0.00000 0.00000 0.00000 0.03000 0.41000 0.00000 -0.82000 0.00000 -0.45000 0.00000 2.38000 68.00000 1KSW3_25.PDB 4.45960 -13.81000 -1.96000 -4.96000 -10.51000 -0.66000 9.01000 -13.88000 0.75000 5.46000 3.55000 0.00000 0.00000 0.00000 0.10000 0.57000 0.00000 -0.68000 0.00000 -0.03000 0.00000 2.38000 68.00000 1KSW3_26.PDB 5.93047 -11.47000 -1.85000 -6.83000 -11.61000 -0.39000 10.43000 -15.07000 3.16000 7.26000 3.90000 0.00000 0.00000 0.00000 0.12000 0.74000 0.00000 -0.68000 0.00000 0.09000 0.00000 2.38000 68.00000 1KSW3_27.PDB 6.54358 -15.03000 -2.05000 -5.73000 -12.16000 -1.76000 11.70000 -15.46000 1.69000 6.25000 3.89000 0.00000 0.00000 0.00000 0.14000 0.85000 0.00000 -0.79000 0.00000 -0.74000 0.00000 2.38000 68.00000 1KSW3_28.PDB 3.99212 -13.28000 -1.70000 -6.53000 -10.91000 -0.71000 9.50000 -14.38000 1.13000 7.28000 3.84000 0.00000 0.00000 0.00000 0.11000 0.53000 0.00000 -0.72000 0.00000 -0.20000 0.00000 2.38000 68.00000 1KSW3_29.PDB 4.24301 -14.01000 -1.96000 -6.52000 -11.21000 -0.52000 9.74000 -14.81000 1.00000 7.01000 3.97000 0.00000 0.00000 0.00000 0.11000 0.57000 0.00000 -0.90000 0.00000 0.10000 0.00000 2.38000 68.00000 1KSW3_30.PDB 3.77752 -13.59000 -1.88000 -6.50000 -9.99000 -1.17000 9.31000 -13.23000 0.73000 6.26000 4.05000 0.00000 0.00000 0.00000 0.01000 0.39000 0.00000 -0.63000 0.00000 -0.54000 0.00000 2.38000 68.00000