name total energy Backbone Hbon 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 BEM1-D1_JO8-LCK-25_1.PDB 25.03000 -41.82000 -13.01000 -67.07000 -1.92000 85.18000 -83.75000 20.22000 33.00000 89.07000 0.00000 0.00000 0.00000 7.99000 16.40000 0.00000 -2.20000 0.00000 -0.66000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_2.PDB 21.63000 -43.55000 -14.74000 -68.23000 -3.41000 88.73000 -84.19000 20.58000 35.06000 87.96000 0.00000 0.00000 0.00000 6.75000 16.64000 0.00000 -2.24000 0.00000 -1.08000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_3.PDB 25.80000 -41.89000 -13.06000 -66.95000 -1.84000 85.17000 -83.53000 20.43000 32.93000 89.11000 0.00000 0.00000 0.00000 8.30000 16.40000 0.00000 -2.22000 0.00000 -0.64000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_4.PDB 24.92000 -44.56000 -15.51000 -69.03000 -2.01000 89.34000 -85.57000 21.19000 35.58000 89.87000 0.00000 0.00000 0.00000 8.67000 16.52000 0.00000 -2.40000 0.00000 -0.67000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_5.PDB 24.09000 -43.86000 -14.71000 -69.05000 -1.72000 88.69000 -85.71000 21.30000 34.71000 89.11000 0.00000 0.00000 0.00000 8.22000 16.46000 0.00000 -2.35000 0.00000 -0.55000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_6.PDB 25.05000 -43.59000 -16.28000 -68.35000 -1.78000 88.20000 -84.71000 21.18000 35.00000 89.40000 0.00000 0.00000 0.00000 8.66000 16.79000 0.00000 -2.14000 0.00000 -0.53000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_7.PDB 25.34000 -43.49000 -14.72000 -67.04000 -1.87000 87.23000 -82.83000 18.83000 34.19000 89.19000 0.00000 0.00000 0.00000 8.75000 16.38000 0.00000 -2.15000 0.00000 -0.76000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_8.PDB 25.20000 -43.62000 -14.84000 -66.96000 -1.75000 87.13000 -82.65000 20.37000 33.87000 88.33000 0.00000 0.00000 0.00000 8.52000 16.33000 0.00000 -2.36000 0.00000 -0.83000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_9.PDB 26.26000 -45.32000 -16.18000 -68.55000 -2.36000 89.37000 -84.63000 21.01000 36.42000 90.17000 0.00000 0.00000 0.00000 9.52000 16.54000 0.00000 -2.21000 0.00000 -0.98000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_10.PDB 26.24000 -43.46000 -14.67000 -67.00000 -1.94000 87.16000 -82.77000 20.27000 33.93000 89.28000 0.00000 0.00000 0.00000 8.43000 16.42000 0.00000 -2.25000 0.00000 -0.75000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_11.PDB 24.96000 -41.86000 -12.80000 -67.73000 -2.09000 86.62000 -84.11000 20.64000 32.54000 88.76000 0.00000 0.00000 0.00000 7.93000 16.72000 0.00000 -2.26000 0.00000 -0.69000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_12.PDB 25.47000 -41.92000 -13.10000 -67.10000 -2.10000 85.44000 -83.77000 20.37000 33.05000 89.20000 0.00000 0.00000 0.00000 8.19000 16.42000 0.00000 -2.11000 0.00000 -0.67000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_13.PDB 24.94000 -41.81000 -14.65000 -66.84000 -1.66000 85.23000 -83.31000 19.45000 33.77000 89.66000 0.00000 0.00000 0.00000 7.83000 16.39000 0.00000 -2.40000 0.00000 -0.32000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_14.PDB 25.45000 -45.58000 -16.85000 -68.94000 -2.06000 90.52000 -84.78000 21.74000 36.23000 89.23000 0.00000 0.00000 0.00000 9.58000 16.59000 0.00000 -2.59000 0.00000 -1.04000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_15.PDB 27.74000 -45.47000 -16.35000 -69.02000 -1.89000 89.58000 -85.21000 23.30000 36.16000 90.07000 0.00000 0.00000 0.00000 9.61000 16.46000 0.00000 -2.22000 0.00000 -0.83000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_16.PDB 23.75000 -41.85000 -13.04000 -66.83000 -2.00000 84.85000 -83.55000 20.61000 32.63000 88.19000 0.00000 0.00000 0.00000 7.58000 16.37000 0.00000 -2.14000 0.00000 -0.69000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_17.PDB 24.04000 -44.68000 -15.53000 -69.07000 -2.38000 89.04000 -85.77000 21.21000 35.83000 89.97000 0.00000 0.00000 0.00000 8.58000 16.51000 0.00000 -2.38000 0.00000 -0.78000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_18.PDB 24.36000 -40.99000 -11.33000 -66.76000 -1.81000 84.55000 -83.54000 20.21000 31.39000 87.94000 0.00000 0.00000 0.00000 7.47000 16.40000 0.00000 -2.15000 0.00000 -0.62000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_19.PDB 25.16000 -41.85000 -13.05000 -66.73000 -1.71000 84.91000 -83.33000 20.23000 32.60000 89.04000 0.00000 0.00000 0.00000 7.74000 16.34000 0.00000 -2.17000 0.00000 -0.51000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_20.PDB 25.22000 -40.95000 -12.17000 -66.74000 -1.83000 84.80000 -83.45000 20.24000 32.01000 88.73000 0.00000 0.00000 0.00000 7.47000 16.31000 0.00000 -2.26000 0.00000 -0.64000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_21.PDB 27.07000 -41.80000 -12.85000 -67.57000 -1.83000 86.43000 -84.67000 21.12000 33.16000 90.11000 0.00000 0.00000 0.00000 7.65000 16.34000 0.00000 -2.02000 0.00000 -0.65000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_22.PDB 24.86000 -41.87000 -13.92000 -66.77000 -1.64000 85.06000 -83.25000 20.53000 33.23000 88.38000 0.00000 0.00000 0.00000 7.69000 16.40000 0.00000 -2.24000 0.00000 -0.35000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_23.PDB 26.08000 -41.82000 -14.64000 -66.66000 -1.55000 85.10000 -83.06000 20.65000 33.71000 89.18000 0.00000 0.00000 0.00000 7.67000 16.37000 0.00000 -2.22000 0.00000 -0.28000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_24.PDB 26.58000 -44.44000 -15.30000 -68.85000 -1.64000 89.16000 -85.23000 21.91000 34.98000 90.27000 0.00000 0.00000 0.00000 7.75000 16.81000 0.00000 -1.95000 0.00000 -0.08000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_25.PDB 25.31000 -41.68000 -12.88000 -66.95000 -2.06000 85.26000 -83.55000 19.32000 33.02000 90.09000 0.00000 0.00000 0.00000 7.77000 16.38000 0.00000 -2.29000 0.00000 -0.73000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_26.PDB 23.76000 -42.70000 -15.27000 -68.48000 -2.61000 88.35000 -84.83000 21.46000 34.69000 88.74000 0.00000 0.00000 0.00000 7.87000 16.70000 0.00000 -2.40000 0.00000 -1.06000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_27.PDB 24.17000 -42.67000 -13.67000 -68.16000 -2.67000 87.95000 -84.53000 21.52000 34.35000 88.33000 0.00000 0.00000 0.00000 6.57000 16.42000 0.00000 -1.85000 0.00000 -1.02000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_28.PDB 25.56000 -44.73000 -15.49000 -69.07000 -1.69000 88.79000 -85.79000 22.95000 35.27000 89.96000 0.00000 0.00000 0.00000 7.97000 16.58000 0.00000 -2.22000 0.00000 -0.41000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_29.PDB 25.34000 -42.80000 -13.83000 -68.39000 -1.73000 87.79000 -84.88000 21.67000 33.26000 89.26000 0.00000 0.00000 0.00000 7.78000 16.58000 0.00000 -2.40000 0.00000 -0.39000 0.00000 0.00000 65.00000 BEM1-D1_JO8-LCK-25_30.PDB 24.67000 -43.52000 -14.31000 -68.73000 -2.33000 88.89000 -85.42000 21.01000 34.54000 89.65000 0.00000 0.00000 0.00000 7.75000 16.54000 0.00000 -2.13000 0.00000 -0.73000 0.00000 0.00000 65.00000