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 1KWA2_1.PDB 3.36726 -13.77000 -12.85000 -1.47000 -12.88000 -1.22000 15.80000 -17.41000 6.08000 6.51000 4.56000 0.00000 0.00000 0.00000 0.91000 5.96000 -0.01000 -0.63000 0.00000 -1.16000 0.00000 2.38000 93.00000 1KWA2_2.PDB 2.81983 -13.16000 -12.71000 -1.39000 -12.93000 -1.20000 15.92000 -17.22000 6.82000 6.63000 4.28000 0.00000 0.00000 0.00000 0.58000 5.94000 -0.01000 -0.78000 0.00000 -1.16000 0.00000 2.38000 93.00000 1KWA2_3.PDB 3.03367 -12.96000 -12.15000 -2.43000 -12.96000 -0.98000 15.85000 -17.46000 6.53000 6.77000 4.52000 0.00000 0.00000 0.00000 0.75000 5.92000 0.02000 -0.53000 0.00000 -0.87000 0.00000 2.38000 93.00000 1KWA2_4.PDB 4.11421 -16.40000 -12.83000 -1.49000 -13.27000 -1.23000 15.78000 -18.12000 5.50000 6.83000 3.91000 0.00000 0.00000 0.00000 0.56000 5.87000 -0.01000 -0.83000 0.00000 -1.20000 0.00000 2.38000 93.00000 1KWA2_5.PDB 3.47976 -14.90000 -12.78000 -1.50000 -13.04000 -1.19000 15.75000 -17.34000 5.83000 6.66000 3.99000 0.00000 0.00000 0.00000 0.56000 5.91000 -0.01000 -0.70000 0.00000 -1.14000 0.00000 2.38000 93.00000 1KWA2_6.PDB 2.49567 -12.20000 -12.89000 -1.46000 -13.09000 -1.16000 16.00000 -17.40000 8.62000 6.42000 4.40000 0.00000 0.00000 0.00000 0.15000 5.97000 -0.01000 -0.75000 0.00000 -1.03000 0.00000 2.38000 93.00000 1KWA2_7.PDB 3.25853 -14.32000 -13.17000 -1.80000 -13.09000 -1.30000 15.97000 -17.42000 7.64000 6.47000 4.08000 0.00000 0.00000 0.00000 0.48000 6.02000 -0.01000 -1.01000 0.00000 -1.17000 0.00000 2.38000 93.00000 1KWA2_8.PDB 3.09591 -16.31000 -12.89000 -1.53000 -13.71000 -1.24000 15.42000 -18.81000 6.81000 7.15000 4.10000 0.00000 0.00000 0.00000 0.44000 5.85000 -0.01000 -0.97000 0.00000 -1.08000 0.00000 2.38000 93.00000 1KWA2_9.PDB 3.21262 -13.95000 -12.87000 -4.90000 -12.88000 -1.28000 17.40000 -16.76000 6.45000 8.74000 4.26000 0.00000 0.00000 0.00000 0.46000 5.98000 0.08000 -1.33000 0.00000 -1.32000 0.00000 2.38000 93.00000 1KWA2_10.PDB 2.96899 -12.17000 -12.93000 -1.55000 -12.87000 -1.32000 15.91000 -17.15000 8.77000 6.33000 4.21000 0.00000 0.00000 0.00000 0.20000 5.84000 -0.01000 -0.61000 0.00000 -1.17000 0.00000 2.38000 93.00000 1KWA2_11.PDB 2.95218 -14.28000 -13.15000 -1.73000 -13.04000 -1.20000 15.29000 -17.34000 7.62000 6.47000 4.17000 0.00000 0.00000 0.00000 0.43000 5.87000 -0.01000 -0.76000 0.00000 -1.02000 0.00000 2.38000 93.00000 1KWA2_12.PDB 2.97003 -12.39000 -12.71000 -1.82000 -12.70000 -1.38000 16.34000 -16.62000 6.63000 6.97000 4.51000 0.00000 0.00000 0.00000 0.42000 5.90000 0.18000 -0.70000 0.00000 -1.52000 0.00000 2.38000 93.00000 1KWA2_13.PDB 3.36895 -13.91000 -13.71000 -3.90000 -13.30000 -1.03000 17.17000 -17.34000 6.93000 8.57000 4.50000 0.00000 0.00000 0.00000 0.42000 5.89000 0.09000 -1.03000 0.00000 -1.27000 0.00000 2.38000 93.00000 1KWA2_14.PDB 2.36769 -11.97000 -12.94000 -1.55000 -12.79000 -1.29000 16.05000 -17.06000 8.63000 6.34000 4.44000 0.00000 0.00000 0.00000 0.16000 5.96000 -0.01000 -0.75000 0.00000 -1.19000 0.00000 2.38000 93.00000 1KWA2_15.PDB 3.10502 -14.22000 -12.77000 -1.45000 -13.12000 -1.30000 16.21000 -17.48000 6.51000 6.58000 3.79000 0.00000 0.00000 0.00000 0.56000 5.94000 -0.01000 -0.57000 0.00000 -1.16000 0.00000 2.38000 93.00000 1KWA2_16.PDB 3.09608 -13.57000 -13.23000 -1.77000 -13.35000 -1.26000 16.44000 -17.73000 7.48000 6.71000 4.46000 0.00000 0.00000 0.00000 0.52000 5.95000 -0.01000 -0.69000 0.00000 -1.16000 0.00000 2.38000 93.00000 1KWA2_17.PDB 3.21139 -15.17000 -13.16000 -1.80000 -14.38000 -1.36000 16.96000 -19.34000 6.72000 7.45000 4.82000 0.00000 0.00000 0.00000 0.71000 5.87000 -0.01000 -0.67000 0.00000 -1.12000 0.00000 2.38000 93.00000 1KWA2_18.PDB 3.67663 -15.09000 -13.68000 -4.05000 -13.07000 -1.51000 17.62000 -16.92000 5.31000 8.47000 4.60000 0.00000 0.00000 0.00000 0.42000 5.85000 0.06000 -0.77000 0.00000 -1.57000 0.00000 2.38000 93.00000 1KWA2_19.PDB 4.58468 -15.75000 -14.03000 -4.36000 -13.90000 -1.51000 17.35000 -18.28000 7.33000 9.13000 4.49000 0.00000 0.00000 0.00000 0.53000 5.98000 0.09000 -1.01000 0.00000 -1.57000 0.00000 2.38000 93.00000 1KWA2_20.PDB 2.69828 -16.54000 -12.54000 -1.20000 -11.88000 -1.03000 14.88000 -15.56000 1.36000 5.57000 5.62000 0.00000 0.00000 0.00000 0.09000 5.21000 -0.01000 -0.83000 0.00000 -1.00000 0.00000 2.38000 93.00000 1KWA2_21.PDB 2.96169 -14.12000 -13.12000 -2.29000 -13.06000 -2.10000 16.67000 -16.85000 6.84000 7.18000 4.42000 0.00000 0.00000 0.00000 0.61000 5.96000 0.25000 -0.86000 0.00000 -1.80000 0.00000 2.38000 93.00000 1KWA2_22.PDB 3.20003 -14.50000 -13.98000 -4.26000 -13.06000 -1.49000 17.23000 -17.02000 7.53000 8.31000 4.16000 0.00000 0.00000 0.00000 0.41000 5.96000 0.03000 -0.98000 0.00000 -1.37000 0.00000 2.38000 93.00000 1KWA2_23.PDB 5.53023 -19.28000 -13.97000 -4.24000 -13.06000 -1.38000 17.60000 -16.76000 2.15000 8.55000 4.18000 0.00000 0.00000 0.00000 0.32000 5.94000 0.08000 -1.29000 0.00000 -1.48000 0.00000 2.38000 93.00000 1KWA2_24.PDB 3.34055 -14.95000 -13.20000 -1.78000 -13.14000 -1.34000 16.46000 -17.35000 5.72000 6.46000 4.48000 0.00000 0.00000 0.00000 0.71000 5.85000 -0.01000 -0.85000 0.00000 -1.10000 0.00000 2.38000 93.00000 1KWA2_25.PDB 3.50515 -15.37000 -13.71000 -2.36000 -13.06000 -1.47000 16.53000 -17.00000 6.02000 7.72000 4.26000 0.00000 0.00000 0.00000 0.42000 5.91000 0.09000 -1.29000 0.00000 -1.51000 0.00000 2.38000 93.00000 1KWA2_26.PDB 4.24982 -15.25000 -14.01000 -4.44000 -13.19000 -1.56000 17.89000 -16.91000 5.69000 8.47000 4.60000 0.00000 0.00000 0.00000 0.64000 5.80000 0.09000 -1.03000 0.00000 -1.49000 0.00000 2.38000 93.00000 1KWA2_27.PDB 2.73080 -18.94000 -13.08000 -1.65000 -13.11000 -1.14000 15.83000 -17.40000 1.34000 7.64000 4.29000 0.00000 0.00000 0.00000 0.27000 5.77000 -0.01000 -0.90000 0.00000 -1.03000 0.00000 2.38000 93.00000 1KWA2_28.PDB 4.24111 -16.72000 -13.55000 -3.94000 -14.64000 -1.44000 18.03000 -19.34000 6.58000 8.87000 4.21000 0.00000 0.00000 0.00000 0.72000 5.75000 0.07000 -0.85000 0.00000 -1.45000 0.00000 2.38000 93.00000 1KWA2_29.PDB 2.79377 -13.52000 -12.72000 -1.39000 -12.98000 -1.32000 15.95000 -17.41000 7.02000 6.40000 4.14000 0.00000 0.00000 0.00000 0.50000 5.85000 -0.01000 -0.48000 0.00000 -1.22000 0.00000 2.38000 93.00000 1KWA2_30.PDB 3.56723 -15.87000 -12.83000 -2.04000 -13.28000 -1.79000 16.67000 -17.28000 5.51000 6.55000 4.13000 0.00000 0.00000 0.00000 0.54000 5.87000 0.25000 -0.69000 0.00000 -1.61000 0.00000 2.38000 93.00000