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-6_1.PDB -3.17000 -51.05000 -27.98000 -76.77000 -4.41000 98.36000 -96.33000 7.32000 49.69000 100.29000 0.00000 0.00000 1.12000 3.35000 19.20000 0.00000 -3.28000 0.00000 -3.49000 0.00000 0.00000 76.00000 SHO1_2VKN-6_2.PDB -4.46000 -50.24000 -28.17000 -76.37000 -3.62000 97.04000 -96.17000 6.81000 49.01000 100.43000 0.00000 0.00000 1.12000 3.21000 19.23000 0.00000 -3.56000 0.00000 -3.94000 0.00000 0.00000 76.00000 SHO1_2VKN-6_3.PDB -5.08000 -52.75000 -29.18000 -77.10000 -2.60000 99.67000 -96.75000 7.10000 49.34000 98.81000 0.00000 0.00000 1.12000 3.39000 19.37000 0.00000 -3.69000 0.00000 -2.43000 0.00000 0.00000 76.00000 SHO1_2VKN-6_4.PDB -4.43000 -49.33000 -27.74000 -76.23000 -3.88000 97.74000 -96.42000 6.81000 47.74000 99.76000 0.00000 0.00000 1.12000 3.64000 19.18000 0.00000 -3.70000 0.00000 -3.95000 0.00000 0.00000 76.00000 SHO1_2VKN-6_5.PDB -6.13000 -50.53000 -30.35000 -76.90000 -4.16000 98.88000 -96.44000 6.67000 50.92000 99.62000 0.00000 0.00000 1.12000 3.22000 19.28000 0.00000 -3.81000 0.00000 -4.37000 0.00000 0.00000 76.00000 SHO1_2VKN-6_6.PDB 0.84000 -51.09000 -31.39000 -77.53000 -4.41000 101.44000 -96.13000 8.12000 51.16000 102.06000 0.00000 0.00000 1.12000 4.83000 19.19000 0.00000 -3.73000 0.00000 -3.62000 0.00000 0.00000 76.00000 SHO1_2VKN-6_7.PDB -4.70000 -52.13000 -27.90000 -76.92000 -4.04000 99.65000 -96.31000 6.97000 48.56000 99.87000 0.00000 0.00000 1.12000 3.72000 19.12000 0.00000 -4.03000 0.00000 -3.26000 0.00000 0.00000 76.00000 SHO1_2VKN-6_8.PDB -3.81000 -51.07000 -27.50000 -76.62000 -3.27000 97.54000 -96.23000 6.71000 48.69000 100.05000 0.00000 0.00000 1.12000 3.87000 19.22000 0.00000 -4.04000 0.00000 -3.06000 0.00000 0.00000 76.00000 SHO1_2VKN-6_9.PDB -3.67000 -51.33000 -26.99000 -76.46000 -3.05000 97.20000 -96.66000 7.27000 48.11000 100.71000 0.00000 0.00000 1.12000 3.18000 19.25000 0.00000 -3.83000 0.00000 -2.95000 0.00000 0.00000 76.00000 SHO1_2VKN-6_10.PDB -3.70000 -51.04000 -26.63000 -75.55000 -2.32000 95.56000 -95.97000 7.35000 47.14000 98.67000 0.00000 0.00000 1.12000 3.11000 19.17000 0.00000 -3.09000 0.00000 -2.05000 0.00000 0.00000 76.00000 SHO1_2VKN-6_11.PDB -5.38000 -50.64000 -29.07000 -76.62000 -3.95000 98.60000 -96.61000 6.64000 49.60000 99.57000 0.00000 0.00000 1.12000 3.87000 19.12000 0.00000 -3.71000 0.00000 -4.19000 0.00000 0.00000 76.00000 SHO1_2VKN-6_12.PDB -3.74000 -50.60000 -28.42000 -76.63000 -3.84000 98.01000 -96.32000 6.86000 49.05000 100.18000 0.00000 0.00000 1.12000 3.41000 19.22000 0.00000 -2.97000 0.00000 -3.59000 0.00000 0.00000 76.00000 SHO1_2VKN-6_13.PDB 1.36000 -49.32000 -28.89000 -76.40000 -4.12000 98.79000 -95.22000 6.91000 49.71000 101.85000 0.00000 0.00000 1.12000 4.60000 19.23000 0.00000 -3.60000 0.00000 -4.08000 0.00000 0.00000 76.00000 SHO1_2VKN-6_14.PDB -0.27000 -51.82000 -29.26000 -77.43000 -4.03000 101.27000 -96.03000 7.40000 49.41000 100.57000 0.00000 0.00000 1.12000 4.89000 19.29000 0.00000 -3.61000 0.00000 -2.77000 0.00000 0.00000 76.00000 SHO1_2VKN-6_15.PDB -4.09000 -49.64000 -28.44000 -76.65000 -4.42000 99.02000 -96.50000 6.78000 49.04000 99.50000 0.00000 0.00000 1.12000 3.79000 19.17000 0.00000 -3.41000 0.00000 -4.29000 0.00000 0.00000 76.00000 SHO1_2VKN-6_16.PDB -3.66000 -50.36000 -26.84000 -76.05000 -3.91000 97.05000 -95.76000 6.60000 48.24000 100.39000 0.00000 0.00000 1.12000 3.41000 19.00000 0.00000 -3.75000 0.00000 -3.81000 0.00000 0.00000 76.00000 SHO1_2VKN-6_17.PDB -5.20000 -50.22000 -28.11000 -76.00000 -3.50000 96.22000 -96.09000 6.63000 48.99000 99.60000 0.00000 0.00000 1.12000 3.11000 19.16000 0.00000 -3.42000 0.00000 -3.54000 0.00000 0.00000 76.00000 SHO1_2VKN-6_18.PDB 1.10000 -50.40000 -28.97000 -75.94000 -3.57000 98.31000 -95.15000 6.80000 48.90000 103.20000 0.00000 0.00000 1.12000 4.85000 19.16000 0.00000 -4.08000 0.00000 -4.00000 0.00000 0.00000 76.00000 SHO1_2VKN-6_19.PDB -4.29000 -51.53000 -28.97000 -76.70000 -2.45000 99.22000 -96.43000 7.13000 48.59000 99.38000 0.00000 0.00000 1.12000 3.53000 19.16000 0.00000 -4.09000 0.00000 -3.09000 0.00000 0.00000 76.00000 SHO1_2VKN-6_20.PDB -4.14000 -51.28000 -28.69000 -77.11000 -3.20000 99.40000 -96.35000 6.58000 49.07000 101.33000 0.00000 0.00000 1.12000 3.22000 19.19000 0.00000 -4.15000 0.00000 -4.09000 0.00000 0.00000 76.00000 SHO1_2VKN-6_21.PDB -0.77000 -49.70000 -28.49000 -76.42000 -4.86000 98.93000 -95.51000 7.11000 49.12000 101.32000 0.00000 0.00000 1.12000 4.23000 19.19000 0.00000 -3.72000 0.00000 -3.89000 0.00000 0.00000 76.00000 SHO1_2VKN-6_22.PDB 0.52000 -51.02000 -29.17000 -77.18000 -4.03000 100.95000 -95.84000 7.31000 48.97000 101.31000 0.00000 0.00000 1.12000 4.97000 19.27000 0.00000 -3.66000 0.00000 -3.22000 0.00000 0.00000 76.00000 SHO1_2VKN-6_23.PDB -5.01000 -50.88000 -27.39000 -76.23000 -3.61000 97.30000 -95.83000 6.55000 48.56000 99.73000 0.00000 0.00000 1.12000 3.19000 19.03000 0.00000 -4.28000 0.00000 -3.26000 0.00000 0.00000 76.00000 SHO1_2VKN-6_24.PDB -4.63000 -48.21000 -25.44000 -75.61000 -4.43000 95.91000 -95.68000 6.42000 46.65000 99.32000 0.00000 0.00000 1.12000 3.44000 19.04000 0.00000 -3.84000 0.00000 -4.29000 0.00000 0.00000 76.00000 SHO1_2VKN-6_25.PDB 0.06000 -50.92000 -29.54000 -77.33000 -4.04000 101.52000 -95.80000 6.85000 49.80000 101.33000 0.00000 0.00000 1.12000 4.51000 19.21000 0.00000 -3.98000 0.00000 -3.46000 0.00000 0.00000 76.00000 SHO1_2VKN-6_26.PDB -3.23000 -49.98000 -27.42000 -76.63000 -3.78000 98.66000 -96.50000 6.73000 48.10000 99.45000 0.00000 0.00000 1.12000 3.50000 19.19000 0.00000 -3.04000 0.00000 -3.44000 0.00000 0.00000 76.00000 SHO1_2VKN-6_27.PDB -4.24000 -51.58000 -27.88000 -76.81000 -4.55000 99.67000 -96.24000 6.76000 49.23000 100.35000 0.00000 0.00000 1.12000 3.22000 19.24000 0.00000 -3.24000 0.00000 -4.29000 0.00000 0.00000 76.00000 SHO1_2VKN-6_28.PDB -5.02000 -51.15000 -28.31000 -77.83000 -4.82000 99.74000 -97.50000 7.25000 50.10000 101.39000 0.00000 0.00000 1.12000 3.22000 19.21000 0.00000 -4.24000 0.00000 -3.97000 0.00000 0.00000 76.00000 SHO1_2VKN-6_29.PDB -4.91000 -51.03000 -26.70000 -76.50000 -3.90000 97.89000 -96.53000 7.64000 47.60000 98.53000 0.00000 0.00000 1.12000 3.37000 19.21000 0.00000 -3.83000 0.00000 -2.58000 0.00000 0.00000 76.00000 SHO1_2VKN-6_30.PDB 0.79000 -49.59000 -28.40000 -76.87000 -3.60000 99.05000 -95.68000 6.85000 49.00000 101.25000 0.00000 0.00000 1.12000 4.70000 19.23000 0.00000 -3.82000 0.00000 -3.22000 0.00000 0.00000 76.00000