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-29_1.PDB 25.27000 -43.23000 -13.20000 -68.19000 -2.32000 87.55000 -84.12000 17.97000 33.17000 91.84000 0.00000 0.00000 0.00000 8.11000 17.11000 0.00000 -1.85000 0.00000 -0.47000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_2.PDB 25.45000 -42.73000 -14.14000 -68.47000 -2.60000 87.78000 -84.24000 18.07000 33.86000 91.80000 0.00000 0.00000 0.00000 8.84000 16.93000 0.00000 -2.03000 0.00000 -0.69000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_3.PDB 24.19000 -41.45000 -12.85000 -67.44000 -2.76000 86.30000 -83.79000 18.13000 32.04000 90.57000 0.00000 0.00000 0.00000 8.05000 16.97000 0.00000 -2.22000 0.00000 -0.38000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_4.PDB 23.51000 -42.38000 -12.63000 -68.31000 -2.68000 87.04000 -84.39000 18.37000 32.81000 90.58000 0.00000 0.00000 0.00000 7.92000 17.04000 0.00000 -2.33000 0.00000 -0.48000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_5.PDB 24.31000 -42.34000 -13.39000 -68.20000 -3.19000 88.52000 -84.41000 18.29000 32.68000 90.69000 0.00000 0.00000 0.00000 8.43000 16.97000 0.00000 -2.38000 0.00000 -0.38000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_6.PDB 24.35000 -42.91000 -12.22000 -67.91000 -2.97000 88.29000 -84.27000 17.75000 31.84000 91.16000 0.00000 0.00000 0.00000 8.69000 16.77000 0.00000 -2.71000 0.00000 -0.40000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_7.PDB 24.80000 -42.44000 -12.20000 -67.93000 -2.67000 86.90000 -83.99000 18.23000 32.55000 91.31000 0.00000 0.00000 0.00000 8.21000 17.11000 0.00000 -2.61000 0.00000 -0.55000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_8.PDB 23.10000 -41.38000 -15.08000 -68.69000 -3.15000 88.36000 -84.83000 17.96000 33.35000 90.38000 0.00000 0.00000 0.00000 8.83000 16.89000 0.00000 -2.29000 0.00000 -0.39000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_9.PDB 24.68000 -42.18000 -11.74000 -68.08000 -3.15000 88.17000 -84.41000 18.58000 31.45000 90.62000 0.00000 0.00000 0.00000 8.16000 16.92000 0.00000 -2.30000 0.00000 -0.43000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_10.PDB 23.77000 -42.34000 -12.39000 -68.09000 -2.33000 86.11000 -84.66000 18.17000 32.39000 91.27000 0.00000 0.00000 0.00000 8.33000 16.79000 0.00000 -2.08000 0.00000 -0.61000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_11.PDB 24.51000 -42.44000 -12.52000 -68.33000 -3.16000 88.54000 -84.10000 18.48000 32.73000 90.34000 0.00000 0.00000 0.00000 8.13000 17.08000 0.00000 -2.71000 0.00000 -0.43000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_12.PDB 24.32000 -42.25000 -12.74000 -67.79000 -2.53000 87.12000 -83.87000 17.77000 32.04000 91.13000 0.00000 0.00000 0.00000 7.99000 17.15000 0.00000 -2.10000 0.00000 -0.46000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_13.PDB 24.22000 -41.79000 -14.90000 -68.59000 -2.44000 88.28000 -85.10000 18.12000 33.70000 91.32000 0.00000 0.00000 0.00000 7.99000 16.77000 0.00000 -1.98000 0.00000 -0.38000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_14.PDB 24.03000 -40.98000 -13.37000 -68.06000 -2.45000 87.10000 -84.38000 17.67000 32.46000 90.97000 0.00000 0.00000 0.00000 8.07000 16.86000 0.00000 -2.30000 0.00000 -0.70000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_15.PDB 23.61000 -43.14000 -13.83000 -68.79000 -3.12000 89.15000 -85.04000 18.64000 33.58000 90.61000 0.00000 0.00000 0.00000 8.39000 16.79000 0.00000 -2.37000 0.00000 -0.47000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_16.PDB 25.10000 -43.83000 -13.32000 -68.85000 -3.29000 90.02000 -84.92000 18.67000 33.10000 91.93000 0.00000 0.00000 0.00000 8.30000 17.16000 0.00000 -2.15000 0.00000 -0.55000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_17.PDB 23.25000 -43.10000 -13.37000 -68.11000 -2.32000 87.12000 -84.28000 18.46000 33.02000 90.83000 0.00000 0.00000 0.00000 8.16000 16.91000 0.00000 -2.66000 0.00000 -0.51000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_18.PDB 25.20000 -43.28000 -13.70000 -68.43000 -2.38000 87.67000 -84.45000 18.26000 33.55000 92.45000 0.00000 0.00000 0.00000 8.03000 17.05000 0.00000 -2.04000 0.00000 -0.48000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_19.PDB 25.41000 -43.29000 -12.60000 -68.46000 -3.10000 88.81000 -84.27000 18.50000 32.59000 92.09000 0.00000 0.00000 0.00000 8.20000 16.94000 0.00000 -2.54000 0.00000 -0.53000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_20.PDB 24.74000 -42.82000 -12.75000 -68.49000 -3.44000 88.40000 -84.57000 18.61000 33.39000 91.26000 0.00000 0.00000 0.00000 8.17000 16.97000 0.00000 -2.33000 0.00000 -0.69000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_21.PDB 24.45000 -43.16000 -14.06000 -68.58000 -3.09000 88.65000 -84.81000 17.99000 33.66000 92.08000 0.00000 0.00000 0.00000 8.53000 16.93000 0.00000 -2.23000 0.00000 -0.52000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_22.PDB 24.27000 -41.81000 -15.03000 -68.40000 -2.34000 87.31000 -84.57000 18.07000 33.95000 91.22000 0.00000 0.00000 0.00000 8.24000 16.77000 0.00000 -1.94000 0.00000 -0.43000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_23.PDB 24.65000 -41.38000 -11.80000 -67.69000 -2.32000 85.98000 -84.08000 17.89000 31.56000 90.88000 0.00000 0.00000 0.00000 8.26000 16.72000 0.00000 -2.12000 0.00000 -0.53000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_24.PDB 23.23000 -42.44000 -14.25000 -68.14000 -2.32000 86.97000 -84.71000 18.91000 33.55000 90.45000 0.00000 0.00000 0.00000 8.15000 16.71000 0.00000 -2.50000 0.00000 -0.44000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_25.PDB 23.94000 -42.29000 -12.81000 -68.89000 -2.51000 87.44000 -85.17000 18.37000 32.84000 91.69000 0.00000 0.00000 0.00000 8.16000 17.14000 0.00000 -2.38000 0.00000 -0.51000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_26.PDB 26.61000 -43.93000 -13.10000 -68.31000 -2.94000 89.67000 -83.81000 18.04000 33.06000 91.62000 0.00000 0.00000 0.00000 8.99000 16.92000 0.00000 -2.28000 0.00000 -0.41000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_27.PDB 23.74000 -43.16000 -15.43000 -68.93000 -3.20000 89.31000 -85.11000 18.83000 34.06000 92.29000 0.00000 0.00000 0.00000 8.25000 17.04000 0.00000 -2.68000 0.00000 -0.48000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_28.PDB 24.09000 -43.38000 -14.66000 -68.74000 -2.91000 87.69000 -84.43000 18.01000 35.16000 92.45000 0.00000 0.00000 0.00000 8.34000 17.28000 0.00000 -2.41000 0.00000 -1.04000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_29.PDB 24.98000 -42.09000 -13.90000 -67.95000 -3.20000 88.26000 -84.06000 18.21000 32.53000 91.32000 0.00000 0.00000 0.00000 8.53000 16.92000 0.00000 -2.28000 0.00000 -0.38000 0.00000 0.00000 66.00000 BEM1-D1_JO8-LCK-29_30.PDB 25.04000 -43.30000 -13.72000 -67.82000 -2.40000 87.37000 -83.72000 17.98000 33.23000 92.19000 0.00000 0.00000 0.00000 7.85000 16.98000 0.00000 -2.20000 0.00000 -0.43000 0.00000 0.00000 66.00000