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 1D4W2_1.PDB 2.89041 -26.28000 -10.98000 -7.88000 -21.50000 -5.58000 29.36000 -26.19000 1.07000 10.12000 8.24000 0.00000 0.00000 0.00000 0.48000 2.12000 -0.22000 -0.49000 0.00000 -2.71000 0.00000 2.38000 114.00000 1D4W2_2.PDB 2.77081 -24.06000 -10.01000 -3.88000 -21.13000 -6.08000 28.43000 -26.12000 1.47000 9.38000 7.72000 0.00000 0.00000 0.00000 0.35000 1.92000 -0.24000 -1.21000 0.00000 -2.74000 0.00000 2.38000 114.00000 1D4W2_3.PDB 2.94330 -24.78000 -10.78000 -4.68000 -20.77000 -7.28000 28.81000 -25.14000 1.97000 9.94000 7.46000 0.00000 0.00000 0.00000 0.37000 1.89000 -0.20000 -1.08000 0.00000 -3.40000 0.00000 2.38000 114.00000 1D4W2_4.PDB 3.64498 -22.71000 -10.71000 -6.02000 -20.13000 -6.80000 29.61000 -24.31000 2.42000 9.34000 7.32000 0.00000 0.00000 0.00000 0.57000 2.09000 -0.23000 -0.81000 0.00000 -2.94000 0.00000 2.38000 114.00000 1D4W2_5.PDB 2.91474 -24.40000 -10.92000 -5.04000 -20.61000 -7.09000 29.15000 -25.18000 1.85000 8.70000 7.86000 0.00000 0.00000 0.00000 0.84000 1.85000 -0.25000 -0.84000 0.00000 -2.88000 0.00000 2.38000 114.00000 1D4W2_6.PDB 3.57733 -25.29000 -10.73000 -5.07000 -21.14000 -6.66000 29.80000 -25.72000 0.51000 9.77000 7.27000 0.00000 0.00000 0.00000 0.89000 2.13000 -0.20000 -0.97000 0.00000 -3.03000 0.00000 2.38000 114.00000 1D4W2_7.PDB 2.95585 -22.92000 -10.88000 -5.92000 -20.79000 -6.07000 29.46000 -25.35000 1.33000 10.75000 8.21000 0.00000 0.00000 0.00000 0.57000 2.00000 -0.23000 -0.93000 0.00000 -3.08000 0.00000 2.38000 114.00000 1D4W2_8.PDB 3.36374 -25.88000 -10.85000 -9.25000 -21.07000 -7.00000 30.58000 -24.79000 1.11000 11.25000 8.18000 0.00000 0.00000 0.00000 0.30000 2.21000 -0.20000 -0.91000 0.00000 -3.24000 0.00000 2.38000 114.00000 1D4W2_9.PDB 4.05835 -27.55000 -10.92000 -8.80000 -22.20000 -7.51000 31.05000 -26.59000 1.09000 11.51000 8.10000 0.00000 0.00000 0.00000 0.73000 2.31000 -0.21000 -0.23000 0.00000 -3.57000 0.00000 2.38000 114.00000 1D4W2_10.PDB 2.67737 -22.05000 -10.00000 -4.01000 -20.38000 -5.54000 27.35000 -25.76000 2.49000 8.88000 8.06000 0.00000 0.00000 0.00000 0.36000 2.05000 -0.26000 -0.61000 0.00000 -2.64000 0.00000 2.38000 114.00000 1D4W2_11.PDB 3.29838 -25.62000 -10.63000 -6.43000 -20.98000 -7.37000 29.72000 -25.15000 0.99000 10.56000 7.50000 0.00000 0.00000 0.00000 0.52000 1.95000 -0.21000 -0.73000 0.00000 -3.43000 0.00000 2.38000 114.00000 1D4W2_12.PDB 4.13267 -26.74000 -10.83000 -10.36000 -20.23000 -7.45000 30.08000 -23.91000 1.01000 11.39000 7.95000 0.00000 0.00000 0.00000 0.46000 2.07000 -0.21000 -1.01000 0.00000 -3.62000 0.00000 2.38000 114.00000 1D4W2_13.PDB 3.70558 -26.40000 -10.94000 -7.43000 -20.71000 -7.03000 29.49000 -24.86000 2.46000 9.20000 6.82000 0.00000 0.00000 0.00000 0.79000 2.13000 -0.22000 -0.85000 0.00000 -3.11000 0.00000 2.38000 114.00000 1D4W2_14.PDB 3.25597 -27.68000 -10.85000 -7.93000 -21.43000 -7.26000 29.94000 -25.92000 0.99000 11.06000 8.11000 0.00000 0.00000 0.00000 0.38000 2.13000 -0.21000 -1.01000 0.00000 -3.56000 0.00000 2.38000 114.00000 1D4W2_15.PDB 2.51740 -22.52000 -9.13000 -3.58000 -20.23000 -6.45000 27.65000 -25.47000 1.91000 8.83000 6.98000 0.00000 0.00000 0.00000 0.48000 1.83000 -0.22000 -0.54000 0.00000 -2.75000 0.00000 2.38000 114.00000 1D4W2_16.PDB 2.79051 -25.19000 -10.89000 -5.16000 -21.89000 -6.39000 29.05000 -27.07000 2.38000 10.11000 8.55000 0.00000 0.00000 0.00000 0.55000 2.04000 -0.21000 -1.40000 0.00000 -2.81000 0.00000 2.38000 114.00000 1D4W2_17.PDB 3.64765 -23.79000 -9.91000 -3.75000 -19.80000 -7.63000 28.83000 -23.51000 0.87000 7.87000 6.69000 0.00000 0.00000 0.00000 0.58000 1.94000 -0.26000 -0.63000 0.00000 -3.13000 0.00000 2.38000 114.00000 1D4W2_18.PDB 3.28941 -23.55000 -9.11000 -2.04000 -20.24000 -4.95000 25.69000 -25.80000 1.00000 7.47000 7.18000 0.00000 0.00000 0.00000 0.52000 1.91000 -0.25000 -0.85000 0.00000 -2.16000 0.00000 2.38000 114.00000 1D4W2_19.PDB 3.37359 -23.22000 -9.95000 -4.77000 -19.32000 -6.88000 27.13000 -23.64000 2.61000 8.60000 6.54000 0.00000 0.00000 0.00000 0.62000 1.86000 -0.25000 -0.93000 0.00000 -2.96000 0.00000 2.38000 114.00000 1D4W2_20.PDB 4.29670 -23.71000 -10.00000 -3.84000 -21.11000 -6.44000 27.95000 -26.25000 2.68000 9.41000 7.28000 0.00000 0.00000 0.00000 0.86000 1.81000 -0.25000 -1.17000 0.00000 -2.82000 0.00000 2.38000 114.00000 1D4W2_21.PDB 3.48131 -21.75000 -10.62000 -4.20000 -20.83000 -7.27000 28.89000 -25.11000 3.97000 10.66000 8.03000 0.00000 0.00000 0.00000 0.31000 2.20000 -0.28000 -1.46000 0.00000 -3.83000 0.00000 2.38000 114.00000 1D4W2_22.PDB 2.74755 -26.33000 -10.06000 -5.39000 -21.06000 -6.45000 28.20000 -26.60000 0.64000 9.70000 7.89000 0.00000 0.00000 0.00000 0.52000 2.07000 -0.20000 -0.46000 0.00000 -3.07000 0.00000 2.38000 114.00000 1D4W2_23.PDB 3.48927 -25.20000 -9.89000 -6.32000 -20.37000 -5.65000 27.59000 -25.78000 1.53000 8.09000 7.66000 0.00000 0.00000 0.00000 1.18000 1.99000 -0.21000 -0.68000 0.00000 -2.35000 0.00000 2.38000 114.00000 1D4W2_24.PDB 3.22093 -25.60000 -10.67000 -6.15000 -20.37000 -7.00000 29.34000 -24.35000 0.84000 9.30000 7.32000 0.00000 0.00000 0.00000 0.63000 2.05000 -0.21000 -1.25000 0.00000 -3.04000 0.00000 2.38000 114.00000 1D4W2_25.PDB 2.76180 -25.52000 -10.91000 -7.56000 -21.37000 -6.47000 30.42000 -25.68000 1.35000 10.65000 7.52000 0.00000 0.00000 0.00000 0.48000 2.26000 -0.23000 -0.67000 0.00000 -3.05000 0.00000 2.38000 114.00000 1D4W2_26.PDB 2.80115 -25.03000 -9.99000 -3.57000 -20.18000 -4.49000 25.66000 -25.73000 0.46000 9.17000 6.96000 0.00000 0.00000 0.00000 0.44000 2.24000 -0.18000 -0.88000 0.00000 -2.72000 0.00000 2.38000 114.00000 1D4W2_27.PDB 3.77764 -26.65000 -10.59000 -7.72000 -21.09000 -7.05000 29.63000 -25.31000 1.17000 10.73000 7.57000 0.00000 0.00000 0.00000 0.47000 2.01000 -0.21000 -1.02000 0.00000 -3.22000 0.00000 2.38000 114.00000 1D4W2_28.PDB 2.87475 -22.98000 -10.84000 -7.78000 -20.36000 -7.95000 30.83000 -24.14000 1.98000 11.45000 7.62000 0.00000 0.00000 0.00000 0.76000 2.16000 -0.23000 -0.48000 0.00000 -3.83000 0.00000 2.38000 114.00000 1D4W2_29.PDB 2.74921 -23.79000 -9.73000 -5.59000 -20.20000 -5.29000 28.15000 -25.57000 1.61000 8.19000 7.50000 0.00000 0.00000 0.00000 0.54000 1.98000 -0.18000 -0.96000 0.00000 -2.27000 0.00000 2.38000 114.00000 1D4W2_30.PDB 4.14895 -25.95000 -10.90000 -6.26000 -21.58000 -6.38000 28.97000 -26.49000 2.10000 10.01000 7.95000 0.00000 0.00000 0.00000 0.60000 1.99000 -0.20000 -0.96000 0.00000 -2.82000 0.00000 2.38000 114.00000