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 1OPK2_1.PDB 1.20900 -11.94000 -2.19000 -2.12000 -7.44000 -1.05000 6.82000 -10.15000 0.28000 3.66000 1.60000 0.00000 0.00000 0.00000 0.01000 0.25000 0.00000 -0.23000 0.00000 -1.11000 0.00000 2.38000 66.00000 1OPK2_2.PDB 1.15709 -11.83000 -2.20000 -2.12000 -8.43000 -1.04000 7.90000 -11.23000 0.32000 4.22000 2.02000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.17000 0.00000 -1.11000 0.00000 2.38000 66.00000 1OPK2_3.PDB 1.20005 -11.60000 -1.93000 -1.87000 -7.08000 -0.61000 5.97000 -10.10000 0.24000 3.10000 1.64000 0.00000 0.00000 0.00000 0.00000 0.25000 0.00000 -0.20000 0.00000 -0.78000 0.00000 2.38000 66.00000 1OPK2_4.PDB 1.35505 -11.84000 -2.29000 -2.24000 -7.57000 -0.89000 6.71000 -10.45000 0.34000 3.89000 1.74000 0.00000 0.00000 0.00000 0.02000 0.25000 0.00000 -0.12000 0.00000 -0.98000 0.00000 2.38000 66.00000 1OPK2_5.PDB 1.16728 -11.24000 -1.43000 -1.64000 -7.77000 -0.63000 7.11000 -10.71000 0.48000 3.16000 1.28000 0.00000 0.00000 0.00000 0.03000 0.44000 0.00000 -0.34000 0.00000 -0.78000 0.00000 2.38000 66.00000 1OPK2_6.PDB 1.09605 -12.36000 -2.16000 -2.09000 -7.67000 -1.13000 7.07000 -10.43000 0.24000 3.73000 1.43000 0.00000 0.00000 0.00000 0.01000 0.30000 0.00000 -0.22000 0.00000 -1.14000 0.00000 2.38000 66.00000 1OPK2_7.PDB 1.35978 -11.69000 -2.14000 -2.05000 -8.33000 -1.15000 8.13000 -11.03000 0.25000 4.33000 1.57000 0.00000 0.00000 0.00000 0.02000 0.44000 0.00000 -0.08000 0.00000 -1.21000 0.00000 2.38000 66.00000 1OPK2_8.PDB 1.18691 -10.91000 -2.09000 -2.02000 -8.13000 -0.47000 7.17000 -11.22000 0.27000 4.05000 2.34000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.21000 0.00000 -0.59000 0.00000 2.38000 66.00000 1OPK2_9.PDB 1.26048 -12.45000 -2.20000 -2.13000 -7.66000 -1.20000 7.00000 -10.41000 0.24000 3.79000 1.52000 0.00000 0.00000 0.00000 0.02000 0.28000 0.00000 -0.16000 0.00000 -1.25000 0.00000 2.38000 66.00000 1OPK2_10.PDB 1.39434 -11.17000 -2.18000 -2.06000 -8.27000 -1.12000 7.97000 -10.96000 0.44000 4.33000 2.05000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -0.20000 0.00000 -1.21000 0.00000 2.38000 66.00000 1OPK2_11.PDB 1.16962 -12.45000 -2.30000 -2.23000 -7.80000 -0.87000 6.84000 -10.81000 0.25000 3.88000 1.65000 0.00000 0.00000 0.00000 0.02000 0.26000 0.00000 -0.12000 0.00000 -0.96000 0.00000 2.38000 66.00000 1OPK2_12.PDB 1.20262 -11.81000 -2.11000 -2.05000 -7.66000 -1.09000 7.00000 -10.55000 0.26000 3.91000 1.67000 0.00000 0.00000 0.00000 0.02000 0.29000 0.00000 -0.09000 0.00000 -1.13000 0.00000 2.38000 66.00000 1OPK2_13.PDB 1.13051 -11.33000 -2.27000 -2.19000 -8.53000 -0.87000 8.08000 -11.42000 0.32000 4.45000 2.13000 0.00000 0.00000 0.00000 0.02000 0.43000 0.00000 -0.11000 0.00000 -0.93000 0.00000 2.38000 66.00000 1OPK2_14.PDB 1.15850 -11.05000 -2.08000 -2.00000 -8.28000 -0.61000 7.53000 -11.44000 0.36000 4.01000 2.25000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.09000 0.00000 -0.71000 0.00000 2.38000 66.00000 1OPK2_15.PDB 1.44520 -12.81000 -2.21000 -2.13000 -8.47000 -1.12000 7.93000 -11.29000 0.21000 4.30000 1.49000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -0.35000 0.00000 -1.21000 0.00000 2.38000 66.00000 1OPK2_16.PDB 1.19380 -12.19000 -2.20000 -2.14000 -7.49000 -1.08000 6.81000 -10.25000 0.50000 3.76000 1.37000 0.00000 0.00000 0.00000 0.01000 0.29000 0.00000 -0.32000 0.00000 -1.16000 0.00000 2.38000 66.00000 1OPK2_17.PDB 1.36004 -11.18000 -2.18000 -2.09000 -8.09000 -0.44000 7.12000 -11.17000 0.38000 3.81000 2.21000 0.00000 0.00000 0.00000 0.03000 0.52000 0.00000 -0.17000 0.00000 -0.60000 0.00000 2.38000 66.00000 1OPK2_18.PDB 1.19900 -12.26000 -2.68000 -2.67000 -7.34000 -1.20000 7.48000 -10.06000 0.22000 3.72000 1.58000 0.00000 0.00000 0.00000 0.00000 0.26000 0.00000 -0.11000 0.00000 -1.20000 0.00000 2.38000 66.00000 1OPK2_19.PDB 1.37077 -11.08000 -2.20000 -3.81000 -8.07000 -1.20000 8.79000 -10.40000 0.42000 5.00000 1.99000 0.00000 0.00000 0.00000 0.02000 0.25000 0.00000 -0.36000 0.00000 -1.26000 0.00000 2.38000 66.00000 1OPK2_20.PDB 1.27029 -12.38000 -2.23000 -2.18000 -7.48000 -1.09000 6.78000 -10.25000 0.24000 3.73000 1.52000 0.00000 0.00000 0.00000 0.01000 0.28000 0.00000 -0.23000 0.00000 -1.20000 0.00000 2.38000 66.00000 1OPK2_21.PDB 1.22593 -11.88000 -2.20000 -2.13000 -7.72000 -1.01000 7.05000 -10.57000 0.30000 3.74000 1.77000 0.00000 0.00000 0.00000 0.02000 0.25000 0.00000 -0.13000 0.00000 -1.00000 0.00000 2.38000 66.00000 1OPK2_22.PDB 1.13991 -11.98000 -2.17000 -2.11000 -7.38000 -0.75000 6.16000 -10.50000 0.36000 3.62000 1.80000 0.00000 0.00000 0.00000 0.00000 0.26000 0.00000 -0.11000 0.00000 -0.89000 0.00000 2.38000 66.00000 1OPK2_23.PDB 1.26873 -11.21000 -2.21000 -2.14000 -8.03000 -0.60000 7.31000 -11.00000 0.28000 3.93000 2.10000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.15000 0.00000 -0.72000 0.00000 2.38000 66.00000 1OPK2_24.PDB 1.25976 -10.28000 -2.28000 -2.22000 -7.80000 -1.01000 7.85000 -10.16000 0.47000 4.17000 1.93000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.25000 0.00000 -1.01000 0.00000 2.38000 66.00000 1OPK2_25.PDB 1.34154 -10.84000 -1.39000 -1.65000 -7.91000 -0.54000 7.08000 -11.00000 0.31000 3.14000 1.98000 0.00000 0.00000 0.00000 0.06000 0.45000 0.00000 -0.28000 0.00000 -0.63000 0.00000 2.38000 66.00000 1OPK2_26.PDB 1.46360 -11.71000 -2.32000 -2.26000 -7.19000 -0.61000 6.04000 -10.14000 0.30000 3.60000 1.74000 0.00000 0.00000 0.00000 0.02000 0.30000 0.00000 -0.11000 0.00000 -0.78000 0.00000 2.38000 66.00000 1OPK2_27.PDB 1.22181 -11.91000 -2.20000 -2.13000 -7.60000 -1.05000 6.99000 -10.38000 0.31000 3.78000 1.56000 0.00000 0.00000 0.00000 0.01000 0.26000 0.00000 -0.09000 0.00000 -1.10000 0.00000 2.38000 66.00000 1OPK2_28.PDB 1.48490 -11.48000 -2.27000 -3.85000 -8.08000 -1.25000 8.61000 -10.47000 0.44000 5.13000 2.05000 0.00000 0.00000 0.00000 0.03000 0.25000 0.00000 -0.54000 0.00000 -1.28000 0.00000 2.38000 66.00000 1OPK2_29.PDB 1.12856 -12.45000 -2.22000 -2.15000 -7.64000 -1.21000 6.96000 -10.42000 0.25000 3.83000 1.68000 0.00000 0.00000 0.00000 0.01000 0.25000 0.00000 -0.24000 0.00000 -1.29000 0.00000 2.38000 66.00000 1OPK2_30.PDB 1.07077 -11.51000 -2.22000 -2.15000 -7.45000 -0.45000 6.33000 -10.55000 0.26000 3.52000 1.85000 0.00000 0.00000 0.00000 0.00000 0.26000 0.00000 -0.14000 0.00000 -0.51000 0.00000 2.38000 66.00000