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 SHO1_2VKN-30_1.PDB -1.76000 -48.64000 -30.50000 -76.10000 -4.12000 100.74000 -95.13000 5.95000 48.58000 100.69000 0.00000 0.00000 1.12000 3.11000 19.01000 0.00000 -3.94000 0.00000 -3.52000 0.00000 0.00000 75.00000 SHO1_2VKN-30_2.PDB -1.22000 -48.92000 -29.58000 -75.87000 -4.32000 100.44000 -94.96000 5.94000 48.42000 100.72000 0.00000 0.00000 1.12000 2.97000 18.93000 0.00000 -3.68000 0.00000 -3.47000 0.00000 0.00000 75.00000 SHO1_2VKN-30_3.PDB -0.33000 -47.64000 -28.03000 -75.91000 -3.09000 98.26000 -95.01000 5.94000 46.62000 100.63000 0.00000 0.00000 1.12000 3.29000 18.97000 0.00000 -3.71000 0.00000 -2.83000 0.00000 0.00000 75.00000 SHO1_2VKN-30_4.PDB -1.33000 -48.22000 -30.38000 -76.08000 -4.08000 100.40000 -95.03000 6.16000 47.89000 100.73000 0.00000 0.00000 1.12000 3.14000 19.04000 0.00000 -3.70000 0.00000 -3.28000 0.00000 0.00000 75.00000 SHO1_2VKN-30_5.PDB -1.26000 -47.83000 -29.51000 -75.73000 -4.20000 99.61000 -94.88000 5.90000 47.57000 100.84000 0.00000 0.00000 1.12000 2.83000 18.98000 0.00000 -3.34000 0.00000 -3.63000 0.00000 0.00000 75.00000 SHO1_2VKN-30_6.PDB -0.97000 -47.58000 -29.01000 -75.76000 -4.24000 100.06000 -94.90000 6.12000 47.72000 99.53000 0.00000 0.00000 1.12000 2.80000 19.03000 0.00000 -3.50000 0.00000 -3.34000 0.00000 0.00000 75.00000 SHO1_2VKN-30_7.PDB -1.36000 -48.81000 -31.06000 -75.41000 -3.19000 99.19000 -94.60000 5.84000 48.11000 100.54000 0.00000 0.00000 1.12000 3.16000 19.00000 0.00000 -3.36000 0.00000 -2.89000 0.00000 0.00000 75.00000 SHO1_2VKN-30_8.PDB -2.10000 -48.26000 -30.12000 -76.09000 -3.36000 99.74000 -95.31000 6.29000 47.28000 99.67000 0.00000 0.00000 1.12000 3.15000 19.00000 0.00000 -3.05000 0.00000 -3.16000 0.00000 0.00000 75.00000 SHO1_2VKN-30_9.PDB -2.28000 -48.09000 -30.27000 -76.02000 -3.78000 100.14000 -94.98000 5.96000 47.72000 99.53000 0.00000 0.00000 1.12000 3.08000 19.02000 0.00000 -3.41000 0.00000 -3.30000 0.00000 0.00000 75.00000 SHO1_2VKN-30_10.PDB -1.88000 -49.50000 -30.21000 -76.47000 -3.89000 100.44000 -95.95000 6.80000 48.66000 100.64000 0.00000 0.00000 1.12000 3.27000 19.08000 0.00000 -3.57000 0.00000 -3.22000 0.00000 0.00000 75.00000 SHO1_2VKN-30_11.PDB -1.36000 -48.67000 -29.11000 -76.59000 -3.96000 100.23000 -96.24000 5.84000 48.55000 100.78000 0.00000 0.00000 1.12000 3.08000 19.15000 0.00000 -3.08000 0.00000 -3.31000 0.00000 0.00000 75.00000 SHO1_2VKN-30_12.PDB -0.82000 -48.60000 -28.88000 -76.51000 -4.42000 100.48000 -95.96000 6.32000 48.83000 100.68000 0.00000 0.00000 1.12000 3.07000 19.12000 0.00000 -3.39000 0.00000 -3.57000 0.00000 0.00000 75.00000 SHO1_2VKN-30_13.PDB -2.08000 -49.02000 -29.87000 -76.06000 -3.79000 99.76000 -95.66000 5.83000 48.52000 100.64000 0.00000 0.00000 1.12000 2.92000 19.00000 0.00000 -3.31000 0.00000 -3.17000 0.00000 0.00000 75.00000 SHO1_2VKN-30_14.PDB -1.42000 -48.28000 -28.55000 -75.59000 -3.23000 97.86000 -95.61000 5.98000 47.81000 100.58000 0.00000 0.00000 1.12000 3.04000 19.10000 0.00000 -3.50000 0.00000 -3.04000 0.00000 0.00000 75.00000 SHO1_2VKN-30_15.PDB -0.64000 -48.63000 -30.37000 -75.90000 -4.25000 100.24000 -95.06000 5.65000 48.83000 101.59000 0.00000 0.00000 1.12000 3.19000 19.01000 0.00000 -3.53000 0.00000 -3.50000 0.00000 0.00000 75.00000 SHO1_2VKN-30_16.PDB -1.51000 -49.41000 -29.92000 -75.28000 -3.47000 98.72000 -94.98000 5.78000 48.67000 100.50000 0.00000 0.00000 1.12000 3.02000 19.01000 0.00000 -3.26000 0.00000 -3.01000 0.00000 0.00000 75.00000 SHO1_2VKN-30_17.PDB -3.01000 -48.71000 -29.14000 -75.92000 -4.07000 99.47000 -95.45000 5.80000 48.38000 99.49000 0.00000 0.00000 1.12000 2.97000 19.07000 0.00000 -3.57000 0.00000 -3.38000 0.00000 0.00000 75.00000 SHO1_2VKN-30_18.PDB -2.54000 -48.60000 -29.17000 -75.74000 -2.80000 97.92000 -95.71000 6.10000 47.81000 99.39000 0.00000 0.00000 1.12000 3.04000 19.01000 0.00000 -3.17000 0.00000 -2.73000 0.00000 0.00000 75.00000 SHO1_2VKN-30_19.PDB -0.28000 -47.77000 -29.48000 -75.81000 -3.71000 99.61000 -95.10000 5.72000 47.36000 101.76000 0.00000 0.00000 1.12000 3.05000 19.03000 0.00000 -3.52000 0.00000 -3.50000 0.00000 0.00000 75.00000 SHO1_2VKN-30_20.PDB -2.41000 -48.52000 -29.42000 -76.04000 -3.27000 99.03000 -95.63000 5.93000 47.70000 99.64000 0.00000 0.00000 1.12000 3.22000 19.13000 0.00000 -3.30000 0.00000 -2.88000 0.00000 0.00000 75.00000 SHO1_2VKN-30_21.PDB 0.01000 -48.42000 -28.92000 -76.16000 -3.87000 99.80000 -95.39000 5.73000 47.56000 102.26000 0.00000 0.00000 1.12000 3.29000 18.91000 0.00000 -3.50000 0.00000 -3.47000 0.00000 0.00000 75.00000 SHO1_2VKN-30_22.PDB -1.45000 -47.76000 -29.99000 -75.35000 -3.10000 98.72000 -94.63000 5.89000 46.89000 100.45000 0.00000 0.00000 1.12000 3.03000 19.04000 0.00000 -3.52000 0.00000 -3.21000 0.00000 0.00000 75.00000 SHO1_2VKN-30_23.PDB -0.45000 -48.55000 -30.19000 -76.22000 -4.03000 100.80000 -95.25000 5.74000 48.61000 101.54000 0.00000 0.00000 1.12000 2.97000 19.02000 0.00000 -3.40000 0.00000 -3.61000 0.00000 0.00000 75.00000 SHO1_2VKN-30_24.PDB -1.61000 -48.59000 -30.43000 -76.06000 -4.48000 100.95000 -95.22000 5.85000 48.67000 100.62000 0.00000 0.00000 1.12000 3.07000 18.95000 0.00000 -3.63000 0.00000 -3.49000 0.00000 0.00000 75.00000 SHO1_2VKN-30_25.PDB -1.70000 -48.68000 -30.36000 -76.23000 -4.32000 100.91000 -95.40000 5.65000 48.75000 101.62000 0.00000 0.00000 1.12000 2.86000 19.03000 0.00000 -4.08000 0.00000 -3.55000 0.00000 0.00000 75.00000 SHO1_2VKN-30_26.PDB -1.82000 -48.57000 -31.27000 -75.91000 -4.57000 101.28000 -94.87000 5.89000 48.66000 100.47000 0.00000 0.00000 1.12000 3.24000 19.02000 0.00000 -3.69000 0.00000 -3.62000 0.00000 0.00000 75.00000 SHO1_2VKN-30_27.PDB 0.42000 -46.75000 -27.04000 -75.18000 -4.05000 97.46000 -95.16000 5.73000 47.14000 100.31000 0.00000 0.00000 1.12000 3.08000 19.02000 0.00000 -2.56000 0.00000 -3.69000 0.00000 0.00000 75.00000 SHO1_2VKN-30_28.PDB -0.01000 -47.81000 -29.32000 -75.16000 -3.30000 98.00000 -94.59000 5.53000 47.44000 101.34000 0.00000 0.00000 1.12000 3.25000 19.03000 0.00000 -3.32000 0.00000 -3.18000 0.00000 0.00000 75.00000 SHO1_2VKN-30_29.PDB -0.37000 -47.83000 -29.52000 -75.86000 -4.27000 99.63000 -95.14000 5.79000 47.81000 101.78000 0.00000 0.00000 1.12000 3.27000 19.00000 0.00000 -3.53000 0.00000 -3.63000 0.00000 0.00000 75.00000 SHO1_2VKN-30_30.PDB -1.01000 -46.87000 -29.07000 -75.54000 -3.95000 98.54000 -94.89000 5.73000 46.83000 100.32000 0.00000 0.00000 1.12000 3.48000 19.01000 0.00000 -3.38000 0.00000 -3.32000 0.00000 0.00000 75.00000