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 1JU53_1.PDB 6.62639 -9.30000 -0.99000 -4.36000 -8.53000 -0.07000 7.45000 -11.83000 2.14000 4.08000 3.18000 0.00000 0.00000 0.00000 0.16000 1.39000 0.00000 -0.46000 0.00000 -0.07000 0.00000 2.38000 72.00000 1JU53_2.PDB 6.71057 -8.81000 -1.07000 -4.13000 -8.78000 -0.06000 7.59000 -11.72000 2.54000 4.09000 3.15000 0.00000 0.00000 0.00000 0.10000 1.17000 0.00000 -0.42000 0.00000 -0.09000 0.00000 2.38000 72.00000 1JU53_3.PDB 6.50247 -7.65000 -1.28000 -2.96000 -9.18000 -0.24000 7.96000 -12.84000 3.74000 4.45000 3.16000 0.00000 0.00000 0.00000 0.14000 1.49000 0.00000 -0.33000 0.00000 -0.26000 0.00000 2.38000 72.00000 1JU53_4.PDB 6.60111 -8.94000 -1.50000 -4.89000 -8.80000 -0.04000 8.24000 -11.79000 2.62000 4.39000 3.19000 0.00000 0.00000 0.00000 0.13000 1.29000 0.00000 -0.45000 0.00000 -0.05000 0.00000 2.38000 72.00000 1JU53_5.PDB 6.85859 -8.41000 -1.71000 -5.11000 -9.36000 -0.04000 8.68000 -12.43000 4.21000 4.36000 3.31000 0.00000 0.00000 0.00000 0.14000 1.19000 0.00000 -0.41000 0.00000 -0.06000 0.00000 2.38000 72.00000 1JU53_6.PDB 6.89619 -9.73000 -1.24000 -4.70000 -8.71000 -0.24000 7.66000 -12.24000 2.60000 4.69000 3.16000 0.00000 0.00000 0.00000 0.11000 1.56000 0.00000 -0.54000 0.00000 -0.26000 0.00000 2.38000 72.00000 1JU53_7.PDB 6.47253 -7.78000 -1.25000 -2.94000 -8.66000 -0.25000 7.72000 -11.96000 2.85000 4.20000 3.12000 0.00000 0.00000 0.00000 0.11000 1.25000 0.00000 -0.46000 0.00000 -0.26000 0.00000 2.38000 72.00000 1JU53_8.PDB 6.40601 -9.00000 -1.72000 -5.07000 -8.73000 -0.05000 8.19000 -11.61000 2.91000 4.37000 3.13000 0.00000 0.00000 0.00000 0.10000 1.24000 0.00000 -0.45000 0.00000 -0.07000 0.00000 2.38000 72.00000 1JU53_9.PDB 5.97321 -9.74000 -1.24000 -4.64000 -8.88000 -0.06000 7.50000 -12.44000 2.61000 4.65000 3.24000 0.00000 0.00000 0.00000 0.09000 1.56000 0.00000 -0.49000 0.00000 -0.07000 0.00000 2.38000 72.00000 1JU53_10.PDB 5.53155 -9.11000 -1.06000 -4.48000 -8.35000 -0.43000 7.52000 -11.64000 2.35000 4.37000 2.97000 0.00000 0.00000 0.00000 0.09000 1.01000 0.00000 -0.43000 0.00000 -0.03000 0.00000 2.38000 72.00000 1JU53_11.PDB 5.99840 -9.03000 -1.04000 -4.47000 -8.33000 -0.36000 7.54000 -11.60000 2.34000 4.41000 2.94000 0.00000 0.00000 0.00000 0.08000 1.06000 0.00000 -0.52000 0.00000 0.00000 0.00000 2.38000 72.00000 1JU53_12.PDB 7.17418 -7.98000 -1.57000 -3.84000 -8.41000 -0.38000 8.18000 -11.20000 2.37000 4.38000 3.06000 0.00000 0.00000 0.00000 0.07000 0.84000 0.00000 -0.64000 0.00000 -0.01000 0.00000 2.38000 72.00000 1JU53_13.PDB 7.03670 -7.09000 -1.20000 -2.95000 -7.94000 -0.36000 7.29000 -10.97000 2.60000 3.97000 2.81000 0.00000 0.00000 0.00000 0.09000 0.88000 0.00000 -0.43000 0.00000 0.00000 0.00000 2.38000 72.00000 1JU53_14.PDB 6.35306 -8.91000 -1.54000 -4.94000 -8.43000 -0.44000 8.19000 -11.27000 2.52000 4.41000 3.04000 0.00000 0.00000 0.00000 0.10000 0.82000 0.00000 -0.55000 0.00000 0.00000 0.00000 2.38000 72.00000 1JU53_15.PDB 5.71185 -8.82000 -1.18000 -4.58000 -8.03000 -0.53000 7.49000 -11.14000 2.37000 4.43000 2.93000 0.00000 0.00000 0.00000 0.06000 0.99000 0.00000 -0.54000 0.00000 -0.11000 0.00000 2.38000 72.00000 1JU53_16.PDB 5.39145 -8.81000 -1.09000 -4.52000 -8.36000 -0.34000 7.48000 -11.66000 2.72000 4.32000 2.97000 0.00000 0.00000 0.00000 0.11000 1.03000 0.00000 -0.44000 0.00000 -0.01000 0.00000 2.38000 72.00000 1JU53_17.PDB 5.46335 -8.92000 -0.54000 -3.93000 -8.08000 -0.48000 6.87000 -11.26000 2.03000 4.12000 2.90000 0.00000 0.00000 0.00000 0.09000 0.91000 0.00000 -0.56000 0.00000 -0.08000 0.00000 2.38000 72.00000 1JU53_18.PDB 6.31798 -8.21000 -1.59000 -4.46000 -8.45000 -0.39000 8.23000 -11.28000 2.80000 4.41000 3.03000 0.00000 0.00000 0.00000 0.08000 0.85000 0.00000 -0.59000 0.00000 0.00000 0.00000 2.38000 72.00000 1JU53_19.PDB 6.81372 -8.14000 -1.65000 -3.37000 -8.75000 -0.28000 8.54000 -11.67000 2.60000 4.04000 3.06000 0.00000 0.00000 0.00000 0.15000 1.20000 0.00000 -0.53000 0.00000 -0.27000 0.00000 2.38000 72.00000 1JU53_20.PDB 7.08122 -9.65000 -1.24000 -4.61000 -8.87000 -0.26000 7.98000 -12.31000 2.40000 4.44000 3.27000 0.00000 0.00000 0.00000 0.16000 1.45000 0.00000 -0.36000 0.00000 -0.27000 0.00000 2.38000 72.00000 1JU53_21.PDB 5.30300 -9.17000 -0.62000 -4.06000 -8.64000 -0.06000 6.90000 -12.05000 2.51000 4.22000 3.03000 0.00000 0.00000 0.00000 0.13000 1.44000 0.00000 -0.45000 0.00000 -0.07000 0.00000 2.38000 72.00000 1JU53_22.PDB 7.05995 -8.87000 -1.30000 -4.02000 -8.78000 -0.25000 7.80000 -12.19000 2.93000 4.53000 3.18000 0.00000 0.00000 0.00000 0.11000 1.27000 0.00000 -0.61000 0.00000 -0.28000 0.00000 2.38000 72.00000 1JU53_23.PDB 7.13030 -9.79000 -1.61000 -5.00000 -9.32000 -0.45000 8.98000 -12.33000 2.87000 4.50000 3.36000 0.00000 0.00000 0.00000 0.10000 1.22000 0.00000 -0.42000 0.00000 -0.47000 0.00000 2.38000 72.00000 1JU53_24.PDB 7.60163 -9.35000 -1.70000 -5.08000 -8.87000 -0.48000 8.91000 -11.63000 2.46000 4.65000 3.17000 0.00000 0.00000 0.00000 0.11000 1.22000 0.00000 -0.42000 0.00000 -0.47000 0.00000 2.38000 72.00000 1JU53_25.PDB 7.04869 -9.04000 -1.12000 -4.55000 -8.73000 -0.26000 7.98000 -11.60000 2.66000 4.23000 3.02000 0.00000 0.00000 0.00000 0.13000 1.17000 0.00000 -0.53000 0.00000 -0.27000 0.00000 2.38000 72.00000 1JU53_26.PDB 5.98065 -8.93000 -1.54000 -4.96000 -8.42000 -0.92000 9.05000 -11.00000 2.34000 4.56000 3.04000 0.00000 0.00000 0.00000 0.07000 0.82000 0.00000 -0.65000 0.00000 -0.51000 0.00000 2.38000 72.00000 1JU53_27.PDB 4.74569 -7.55000 -1.14000 -2.83000 -8.77000 -0.84000 8.28000 -12.13000 3.36000 4.29000 3.04000 0.00000 0.00000 0.00000 0.07000 1.06000 0.00000 -0.49000 0.00000 -0.41000 0.00000 2.38000 72.00000 1JU53_28.PDB 5.78646 -7.84000 -1.15000 -4.48000 -8.57000 -0.81000 8.93000 -11.33000 3.14000 4.38000 2.91000 0.00000 0.00000 0.00000 0.10000 0.86000 0.00000 -0.57000 0.00000 -0.41000 0.00000 2.38000 72.00000 1JU53_29.PDB 6.07742 -7.82000 -1.60000 -4.94000 -8.20000 -0.50000 8.25000 -10.90000 2.62000 4.47000 3.80000 0.00000 0.00000 0.00000 0.07000 0.81000 0.00000 -0.80000 0.00000 -0.10000 0.00000 2.38000 72.00000 1JU53_30.PDB 6.70464 -7.66000 -1.45000 -4.95000 -8.05000 -0.54000 8.23000 -10.66000 2.37000 4.41000 3.78000 0.00000 0.00000 0.00000 0.07000 0.75000 0.00000 -0.78000 0.00000 -0.09000 0.00000 2.38000 72.00000