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 1LCK3_1.PDB 4.49822 -11.64000 -2.45000 -5.20000 -12.90000 -3.93000 16.87000 -16.70000 0.58000 7.95000 7.61000 0.00000 0.00000 0.00000 0.38000 1.82000 0.00000 -0.76000 0.00000 -3.08000 0.00000 2.38000 110.00000 1LCK3_2.PDB 4.97613 -12.05000 -0.96000 -4.61000 -13.26000 -6.57000 17.25000 -16.60000 2.15000 9.59000 6.22000 0.00000 0.00000 0.00000 0.31000 1.52000 0.00000 -1.14000 0.00000 -4.42000 0.00000 2.38000 110.00000 1LCK3_3.PDB 4.93753 -10.82000 -0.97000 -4.22000 -13.03000 -5.87000 16.06000 -16.63000 2.37000 9.24000 6.83000 0.00000 0.00000 0.00000 0.32000 1.60000 0.00000 -0.94000 0.00000 -3.98000 0.00000 2.38000 110.00000 1LCK3_4.PDB 4.84628 -11.49000 -0.97000 -3.44000 -13.15000 -5.81000 16.18000 -16.78000 2.19000 8.86000 5.99000 0.00000 0.00000 0.00000 0.31000 1.71000 0.00000 -1.04000 0.00000 -3.84000 0.00000 2.38000 110.00000 1LCK3_5.PDB 4.55628 -11.36000 -1.14000 -3.13000 -10.38000 -3.32000 10.18000 -13.77000 1.48000 8.02000 5.14000 0.00000 0.00000 0.00000 0.22000 1.50000 0.00000 -1.39000 0.00000 -3.26000 0.00000 2.38000 110.00000 1LCK3_6.PDB 4.12584 -11.20000 -1.84000 -5.78000 -13.07000 -4.53000 16.85000 -16.92000 2.70000 8.18000 6.91000 0.00000 0.00000 0.00000 0.39000 1.65000 0.00000 -1.21000 0.00000 -2.88000 0.00000 2.38000 110.00000 1LCK3_7.PDB 4.57005 -11.46000 -0.91000 -4.00000 -12.50000 -3.49000 12.71000 -16.54000 2.07000 9.74000 5.96000 0.00000 0.00000 0.00000 0.21000 1.73000 0.00000 -1.01000 0.00000 -3.71000 0.00000 2.38000 110.00000 1LCK3_8.PDB 4.96893 -10.06000 -0.88000 -3.26000 -12.34000 -5.53000 15.30000 -15.64000 2.02000 8.67000 6.17000 0.00000 0.00000 0.00000 0.24000 1.56000 0.00000 -0.98000 0.00000 -3.83000 0.00000 2.38000 110.00000 1LCK3_9.PDB 3.75004 -12.68000 -0.92000 -3.22000 -11.48000 -2.80000 10.23000 -15.74000 1.14000 9.17000 4.91000 0.00000 0.00000 0.00000 0.15000 1.53000 0.00000 -0.84000 0.00000 -3.28000 0.00000 2.38000 110.00000 1LCK3_10.PDB 4.56421 -11.97000 -0.88000 -4.15000 -12.18000 -2.04000 10.80000 -16.73000 1.71000 9.44000 5.44000 0.00000 0.00000 0.00000 0.18000 1.54000 0.00000 -1.18000 0.00000 -2.35000 0.00000 2.38000 110.00000 1LCK3_11.PDB 4.78371 -9.69000 -0.86000 -4.12000 -12.84000 -4.11000 15.81000 -16.47000 1.78000 8.33000 5.84000 0.00000 0.00000 0.00000 0.25000 1.68000 0.00000 -0.87000 0.00000 -2.45000 0.00000 2.38000 110.00000 1LCK3_12.PDB 4.49935 -11.75000 -0.90000 -4.07000 -12.88000 -5.97000 15.90000 -16.36000 2.12000 9.30000 5.97000 0.00000 0.00000 0.00000 0.30000 1.62000 0.00000 -1.15000 0.00000 -4.01000 0.00000 2.38000 110.00000 1LCK3_13.PDB 5.01692 -12.58000 -1.72000 -4.19000 -13.51000 -5.63000 16.82000 -17.04000 1.75000 9.60000 5.71000 0.00000 0.00000 0.00000 0.34000 1.83000 0.00000 -1.01000 0.00000 -3.69000 0.00000 2.38000 110.00000 1LCK3_14.PDB 4.93244 -11.31000 -0.94000 -3.79000 -13.16000 -6.02000 16.10000 -16.88000 2.10000 9.06000 6.88000 0.00000 0.00000 0.00000 0.35000 1.62000 0.00000 -0.97000 0.00000 -4.04000 0.00000 2.38000 110.00000 1LCK3_15.PDB 3.46596 -11.58000 -0.95000 -3.82000 -12.08000 -3.70000 13.13000 -16.23000 1.08000 10.21000 5.77000 0.00000 0.00000 0.00000 0.09000 1.62000 0.00000 -1.29000 0.00000 -3.79000 0.00000 2.38000 110.00000 1LCK3_16.PDB 4.29298 -11.99000 -0.93000 -4.93000 -11.32000 -3.42000 11.36000 -15.15000 1.44000 10.45000 5.16000 0.00000 0.00000 0.00000 0.09000 1.62000 0.00000 -1.18000 0.00000 -3.57000 0.00000 2.38000 110.00000 1LCK3_17.PDB 3.45386 -11.42000 -0.95000 -3.81000 -10.88000 -2.28000 9.54000 -15.24000 0.68000 9.51000 5.57000 0.00000 0.00000 0.00000 0.10000 1.50000 0.00000 -0.86000 0.00000 -2.80000 0.00000 2.38000 110.00000 1LCK3_18.PDB 6.85040 -13.09000 -0.89000 -3.73000 -13.43000 -6.61000 16.63000 -16.92000 2.18000 9.23000 6.07000 0.00000 0.00000 0.00000 0.45000 1.69000 0.00000 -1.22000 0.00000 -4.85000 0.00000 2.38000 110.00000 1LCK3_19.PDB 3.46123 -10.45000 -0.91000 -4.86000 -12.18000 -3.33000 12.88000 -16.26000 2.12000 10.63000 6.01000 0.00000 0.00000 0.00000 0.10000 1.58000 0.00000 -1.22000 0.00000 -3.44000 0.00000 2.38000 110.00000 1LCK3_20.PDB 3.25956 -10.56000 -0.94000 -2.56000 -11.89000 -1.94000 11.08000 -16.44000 0.43000 8.66000 6.25000 0.00000 0.00000 0.00000 0.06000 1.57000 0.00000 -0.99000 0.00000 -2.28000 0.00000 2.38000 110.00000 1LCK3_21.PDB 3.59637 -11.24000 -0.93000 -2.83000 -11.47000 -1.92000 10.01000 -15.97000 0.56000 8.71000 5.71000 0.00000 0.00000 0.00000 0.12000 1.51000 0.00000 -0.99000 0.00000 -2.23000 0.00000 2.38000 110.00000 1LCK3_22.PDB 3.27072 -12.04000 -0.87000 -3.92000 -11.10000 -2.48000 9.88000 -15.54000 0.59000 9.31000 5.92000 0.00000 0.00000 0.00000 0.06000 1.56000 0.00000 -0.93000 0.00000 -2.95000 0.00000 2.38000 110.00000 1LCK3_23.PDB 5.12517 -10.39000 -0.97000 -4.94000 -12.53000 -5.72000 15.53000 -15.95000 2.67000 9.80000 6.16000 0.00000 0.00000 0.00000 0.33000 1.48000 0.00000 -0.97000 0.00000 -3.80000 0.00000 2.38000 110.00000 1LCK3_24.PDB 7.16283 -13.86000 -0.87000 -4.04000 -13.43000 -6.54000 16.72000 -16.93000 2.06000 9.66000 5.09000 0.00000 0.00000 0.00000 0.42000 1.92000 0.00000 -1.25000 0.00000 -4.74000 0.00000 2.38000 110.00000 1LCK3_25.PDB 3.48016 -11.15000 -0.93000 -3.18000 -11.58000 -2.80000 10.32000 -15.97000 2.00000 9.44000 5.84000 0.00000 0.00000 0.00000 0.08000 1.62000 0.00000 -1.15000 0.00000 -3.22000 0.00000 2.38000 110.00000 1LCK3_26.PDB 6.55389 -13.47000 -0.96000 -5.68000 -13.03000 -6.29000 15.85000 -16.54000 1.74000 10.66000 6.14000 0.00000 0.00000 0.00000 0.29000 1.60000 0.00000 -0.93000 0.00000 -4.73000 0.00000 2.38000 110.00000 1LCK3_27.PDB 6.80396 -11.20000 -0.97000 -4.59000 -12.06000 -5.44000 15.40000 -15.28000 1.73000 9.00000 5.37000 0.00000 0.00000 0.00000 0.26000 1.48000 0.00000 -0.95000 0.00000 -3.67000 0.00000 2.38000 110.00000 1LCK3_28.PDB 4.63057 -9.93000 -1.68000 -3.31000 -12.39000 -3.19000 14.54000 -16.38000 1.27000 8.45000 6.71000 0.00000 0.00000 0.00000 0.08000 1.64000 0.00000 -1.31000 0.00000 -2.73000 0.00000 2.38000 110.00000 1LCK3_29.PDB 3.74126 -9.99000 -0.88000 -2.01000 -12.32000 -3.55000 12.92000 -16.34000 1.48000 9.15000 5.77000 0.00000 0.00000 0.00000 0.07000 1.63000 0.00000 -1.27000 0.00000 -3.02000 0.00000 2.38000 110.00000 1LCK3_30.PDB 3.85444 -11.20000 -0.88000 -2.24000 -12.38000 -2.07000 11.45000 -16.97000 0.37000 8.33000 6.04000 0.00000 0.00000 0.00000 0.11000 1.61000 0.00000 -0.78000 0.00000 -2.17000 0.00000 2.38000 110.00000