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 1LKK2_1.PDB 1.06467 -13.35000 -2.69000 -9.17000 -9.83000 -6.26000 16.59000 -10.80000 0.65000 7.35000 4.89000 0.00000 0.00000 0.00000 0.03000 0.79000 -0.22000 -0.65000 0.00000 -3.23000 0.00000 2.38000 109.00000 1LKK2_2.PDB 1.18877 -14.12000 -2.72000 -9.67000 -10.33000 -6.82000 17.71000 -11.19000 0.27000 8.27000 5.18000 0.00000 0.00000 0.00000 0.04000 0.66000 -0.22000 -0.85000 0.00000 -3.81000 0.00000 2.38000 109.00000 1LKK2_3.PDB 0.91409 -13.51000 -2.61000 -9.24000 -9.81000 -6.56000 17.30000 -10.54000 0.43000 6.70000 5.18000 0.00000 0.00000 0.00000 0.02000 0.64000 -0.21000 -0.62000 0.00000 -3.56000 0.00000 2.38000 109.00000 1LKK2_4.PDB 1.54684 -14.19000 -2.65000 -9.17000 -9.67000 -6.57000 16.94000 -10.93000 0.49000 7.05000 4.80000 0.00000 0.00000 0.00000 0.04000 0.64000 -0.22000 -0.67000 0.00000 -3.63000 0.00000 2.38000 109.00000 1LKK2_5.PDB 0.95809 -13.08000 -2.64000 -9.46000 -10.10000 -7.25000 18.87000 -10.57000 0.37000 7.34000 4.89000 0.00000 0.00000 0.00000 0.03000 0.69000 -0.21000 -0.57000 0.00000 -3.78000 0.00000 2.38000 109.00000 1LKK2_6.PDB 1.66193 -14.08000 -2.70000 -9.05000 -10.58000 -6.96000 18.13000 -11.78000 1.80000 8.00000 4.30000 0.00000 0.00000 0.00000 0.05000 0.66000 -0.22000 -1.21000 0.00000 -3.85000 0.00000 2.38000 109.00000 1LKK2_7.PDB 1.08172 -12.75000 -2.71000 -8.69000 -9.76000 -5.94000 16.31000 -10.86000 0.63000 7.29000 4.98000 0.00000 0.00000 0.00000 0.04000 0.73000 -0.22000 -0.83000 0.00000 -2.99000 0.00000 2.38000 109.00000 1LKK2_8.PDB 1.39446 -14.02000 -2.64000 -9.20000 -9.41000 -6.52000 17.14000 -10.45000 0.40000 6.24000 4.77000 0.00000 0.00000 0.00000 0.03000 0.66000 -0.21000 -0.60000 0.00000 -3.58000 0.00000 2.38000 109.00000 1LKK2_9.PDB 1.15337 -13.33000 -2.72000 -9.25000 -9.07000 -6.26000 16.42000 -9.95000 0.25000 6.82000 4.65000 0.00000 0.00000 0.00000 0.03000 0.74000 -0.22000 -0.79000 0.00000 -3.25000 0.00000 2.38000 109.00000 1LKK2_10.PDB 1.45417 -13.55000 -2.68000 -9.17000 -8.30000 -6.63000 16.00000 -8.74000 0.19000 6.26000 3.76000 0.00000 0.00000 0.00000 0.03000 0.39000 -0.22000 -0.39000 0.00000 -3.66000 0.00000 2.38000 109.00000 1LKK2_11.PDB 1.74613 -13.03000 -3.51000 -11.18000 -9.44000 -6.69000 18.79000 -9.84000 0.37000 8.00000 5.08000 0.00000 0.00000 0.00000 0.12000 0.81000 -0.24000 -0.95000 0.00000 -3.55000 0.00000 2.38000 109.00000 1LKK2_12.PDB 1.07618 -12.97000 -1.84000 -7.69000 -9.68000 -5.50000 14.96000 -11.13000 0.26000 5.92000 5.09000 0.00000 0.00000 0.00000 0.03000 0.77000 -0.19000 -0.56000 0.00000 -2.64000 0.00000 2.38000 109.00000 1LKK2_13.PDB 0.97134 -12.21000 -2.61000 -8.62000 -9.59000 -5.84000 16.63000 -10.51000 0.59000 6.38000 5.02000 0.00000 0.00000 0.00000 0.03000 0.79000 -0.21000 -0.68000 0.00000 -2.80000 0.00000 2.38000 109.00000 1LKK2_14.PDB 1.37730 -13.72000 -2.60000 -9.27000 -10.00000 -7.37000 18.77000 -11.00000 0.40000 7.21000 5.08000 0.00000 0.00000 0.00000 0.02000 0.60000 -0.21000 -0.63000 0.00000 -4.11000 0.00000 2.38000 109.00000 1LKK2_15.PDB 0.96462 -12.56000 -1.81000 -7.69000 -9.78000 -5.48000 15.39000 -11.25000 0.27000 6.15000 4.99000 0.00000 0.00000 0.00000 0.02000 0.71000 -0.19000 -0.55000 0.00000 -2.62000 0.00000 2.38000 109.00000 1LKK2_16.PDB 1.44821 -13.31000 -2.70000 -8.61000 -9.59000 -6.13000 16.66000 -10.93000 0.44000 6.88000 4.83000 0.00000 0.00000 0.00000 0.05000 0.64000 -0.22000 -0.78000 0.00000 -3.21000 0.00000 2.38000 109.00000 1LKK2_17.PDB 1.15634 -13.03000 -2.71000 -9.66000 -9.62000 -7.12000 18.40000 -10.21000 0.25000 7.66000 4.73000 0.00000 0.00000 0.00000 0.03000 0.59000 -0.22000 -0.76000 0.00000 -3.81000 0.00000 2.38000 109.00000 1LKK2_18.PDB 1.47534 -13.95000 -2.67000 -9.16000 -9.03000 -7.57000 17.86000 -9.33000 0.21000 6.88000 3.93000 0.00000 0.00000 0.00000 0.03000 0.39000 -0.22000 -0.70000 0.00000 -4.19000 0.00000 2.38000 109.00000 1LKK2_19.PDB 1.53168 -10.83000 -3.55000 -10.33000 -9.41000 -7.69000 20.02000 -9.31000 0.27000 8.79000 6.14000 0.00000 0.00000 0.00000 0.04000 0.63000 -0.24000 -1.42000 0.00000 -4.14000 0.00000 2.38000 109.00000 1LKK2_20.PDB 1.06423 -12.99000 -2.62000 -9.21000 -8.85000 -6.21000 16.64000 -9.58000 0.23000 5.95000 4.66000 0.00000 0.00000 0.00000 0.02000 0.70000 -0.21000 -0.59000 0.00000 -3.21000 0.00000 2.38000 109.00000 1LKK2_21.PDB 1.32018 -13.20000 -2.60000 -9.21000 -8.04000 -6.54000 16.26000 -8.27000 0.21000 5.39000 3.77000 0.00000 0.00000 0.00000 0.02000 0.39000 -0.21000 -0.39000 0.00000 -3.59000 0.00000 2.38000 109.00000 1LKK2_22.PDB 1.46022 -10.32000 -3.45000 -10.15000 -8.34000 -6.69000 18.00000 -8.17000 0.41000 6.82000 5.81000 0.00000 0.00000 0.00000 0.04000 0.58000 -0.23000 -0.80000 0.00000 -3.56000 0.00000 2.38000 109.00000 1LKK2_23.PDB 1.10536 -13.52000 -1.83000 -8.73000 -10.50000 -6.70000 17.18000 -11.76000 0.28000 7.29000 5.49000 0.00000 0.00000 0.00000 0.04000 0.67000 -0.19000 -0.49000 0.00000 -3.60000 0.00000 2.38000 109.00000 1LKK2_24.PDB 1.14917 -11.90000 -1.89000 -6.85000 -10.11000 -5.04000 15.63000 -11.82000 0.56000 6.38000 4.27000 0.00000 0.00000 0.00000 0.05000 0.72000 -0.19000 -0.55000 0.00000 -2.34000 0.00000 2.38000 109.00000 1LKK2_25.PDB 1.53598 -13.42000 -1.84000 -7.69000 -9.57000 -5.76000 15.22000 -11.37000 0.44000 5.69000 5.22000 0.00000 0.00000 0.00000 0.05000 0.62000 -0.19000 -0.58000 0.00000 -3.02000 0.00000 2.38000 109.00000 1LKK2_26.PDB 1.20393 -12.27000 -1.83000 -7.68000 -9.49000 -5.50000 14.86000 -10.77000 0.62000 5.78000 5.10000 0.00000 0.00000 0.00000 0.01000 0.80000 -0.19000 -0.54000 0.00000 -2.64000 0.00000 2.38000 109.00000 1LKK2_27.PDB 1.07411 -12.65000 -2.71000 -9.17000 -9.91000 -6.10000 16.76000 -10.93000 0.56000 7.72000 5.01000 0.00000 0.00000 0.00000 0.03000 0.78000 -0.22000 -0.69000 0.00000 -3.00000 0.00000 2.38000 109.00000 1LKK2_28.PDB 1.37544 -12.80000 -2.58000 -8.69000 -9.33000 -6.07000 16.93000 -10.46000 0.39000 6.07000 5.05000 0.00000 0.00000 0.00000 0.02000 0.60000 -0.21000 -0.77000 0.00000 -3.16000 0.00000 2.38000 109.00000 1LKK2_29.PDB 1.13154 -12.99000 -2.58000 -9.37000 -9.31000 -6.84000 17.90000 -9.90000 0.27000 6.76000 4.70000 0.00000 0.00000 0.00000 0.01000 0.72000 -0.21000 -0.76000 0.00000 -3.65000 0.00000 2.38000 109.00000 1LKK2_30.PDB 1.40756 -13.85000 -2.59000 -9.43000 -8.69000 -7.30000 17.75000 -8.84000 0.22000 6.11000 3.88000 0.00000 0.00000 0.00000 0.02000 0.38000 -0.21000 -0.72000 0.00000 -4.03000 0.00000 2.38000 109.00000