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 1JYR2_1.PDB 2.77072 -23.44000 -5.64000 -12.11000 -10.95000 -7.57000 17.05000 -11.54000 0.16000 6.20000 4.87000 0.00000 0.00000 0.00000 0.13000 1.41000 0.01000 -0.62000 0.00000 -3.42000 0.00000 2.38000 105.00000 1JYR2_2.PDB 2.95823 -22.15000 -5.74000 -11.28000 -10.98000 -5.32000 15.68000 -11.81000 0.50000 6.07000 4.19000 0.00000 0.00000 0.00000 0.26000 1.44000 0.01000 -1.07000 0.00000 -2.66000 0.00000 2.38000 105.00000 1JYR2_3.PDB 3.64293 -23.30000 -6.38000 -9.20000 -12.17000 -6.25000 16.86000 -12.74000 0.48000 7.54000 3.16000 0.00000 0.00000 0.00000 0.18000 1.70000 0.00000 -0.95000 0.00000 -3.84000 0.00000 2.38000 105.00000 1JYR2_4.PDB 2.56111 -23.69000 -6.52000 -11.63000 -10.86000 -4.98000 15.71000 -11.91000 0.12000 5.83000 4.12000 0.00000 0.00000 0.00000 0.08000 1.44000 0.00000 -1.08000 0.00000 -2.59000 0.00000 2.38000 105.00000 1JYR2_5.PDB 2.92752 -26.96000 -6.05000 -12.80000 -11.60000 -7.22000 16.92000 -12.42000 0.28000 6.10000 3.77000 0.00000 0.00000 0.00000 0.12000 1.78000 0.01000 -0.94000 0.00000 -3.15000 0.00000 2.38000 105.00000 1JYR2_6.PDB 3.94316 -23.22000 -6.52000 -11.60000 -11.39000 -4.86000 16.61000 -12.49000 0.34000 5.86000 3.33000 0.00000 0.00000 0.00000 0.15000 1.72000 0.00000 -0.25000 0.00000 -2.40000 0.00000 2.38000 105.00000 1JYR2_7.PDB 3.02640 -19.38000 -6.09000 -11.19000 -11.80000 -4.92000 17.23000 -12.81000 1.38000 7.02000 4.79000 0.00000 0.00000 0.00000 0.19000 1.49000 0.00000 -0.78000 0.00000 -2.40000 0.00000 2.38000 105.00000 1JYR2_8.PDB 3.43191 -19.71000 -6.14000 -10.50000 -11.20000 -4.56000 16.22000 -12.06000 0.37000 5.85000 4.47000 0.00000 0.00000 0.00000 0.53000 1.56000 0.00000 -0.56000 0.00000 -2.14000 0.00000 2.38000 105.00000 1JYR2_9.PDB 2.90494 -23.12000 -6.60000 -11.63000 -11.56000 -5.38000 16.53000 -12.45000 0.29000 6.60000 4.70000 0.00000 0.00000 0.00000 0.15000 1.48000 0.00000 -1.02000 0.00000 -2.74000 0.00000 2.38000 105.00000 1JYR2_10.PDB 3.84807 -21.66000 -5.69000 -10.84000 -11.35000 -5.14000 16.35000 -12.19000 0.37000 6.04000 4.05000 0.00000 0.00000 0.00000 0.15000 1.48000 0.00000 -0.96000 0.00000 -2.43000 0.00000 2.38000 105.00000 1JYR2_11.PDB 3.27549 -24.00000 -6.36000 -12.69000 -13.16000 -6.30000 18.61000 -13.53000 1.55000 9.02000 3.31000 0.00000 0.00000 0.00000 0.27000 1.79000 0.00000 -1.31000 0.00000 -3.40000 0.00000 2.38000 105.00000 1JYR2_12.PDB 2.70993 -26.56000 -5.13000 -11.50000 -11.50000 -7.89000 16.82000 -12.33000 0.25000 5.72000 3.39000 0.00000 0.00000 0.00000 0.10000 1.53000 0.01000 -0.74000 0.00000 -3.78000 0.00000 2.38000 105.00000 1JYR2_13.PDB 2.94557 -24.77000 -5.58000 -12.41000 -11.33000 -7.36000 17.23000 -12.04000 0.26000 6.52000 4.25000 0.00000 0.00000 0.00000 0.14000 1.68000 0.01000 -0.91000 0.00000 -3.56000 0.00000 2.38000 105.00000 1JYR2_14.PDB 2.87373 -20.93000 -4.36000 -7.74000 -11.52000 -8.22000 17.30000 -12.65000 0.17000 6.72000 3.76000 0.00000 0.00000 0.00000 0.16000 1.54000 0.01000 -0.51000 0.00000 -4.05000 0.00000 2.38000 105.00000 1JYR2_15.PDB 3.15559 -27.52000 -5.15000 -11.10000 -11.81000 -7.82000 16.67000 -12.91000 0.32000 5.48000 2.81000 0.00000 0.00000 0.00000 0.19000 1.70000 0.01000 -0.57000 0.00000 -3.64000 0.00000 2.38000 105.00000 1JYR2_16.PDB 4.15244 -19.83000 -4.45000 -10.74000 -11.29000 -6.53000 16.48000 -12.31000 1.55000 6.56000 4.41000 0.00000 0.00000 0.00000 0.28000 1.42000 0.02000 -0.46000 0.00000 -3.34000 0.00000 2.38000 105.00000 1JYR2_17.PDB 2.63731 -22.81000 -5.08000 -9.67000 -10.99000 -5.96000 15.26000 -11.94000 0.10000 5.24000 4.24000 0.00000 0.00000 0.00000 0.10000 1.35000 0.02000 -1.18000 0.00000 -2.96000 0.00000 2.38000 105.00000 1JYR2_18.PDB 4.83691 -21.59000 -4.85000 -8.65000 -11.21000 -7.56000 16.34000 -12.02000 0.45000 5.41000 3.98000 0.00000 0.00000 0.00000 0.90000 1.37000 0.02000 -0.57000 0.00000 -3.83000 0.00000 2.38000 105.00000 1JYR2_19.PDB 4.07238 -22.18000 -5.74000 -11.36000 -11.11000 -5.91000 15.88000 -11.86000 0.22000 6.43000 4.44000 0.00000 0.00000 0.00000 0.25000 1.43000 0.01000 -0.76000 0.00000 -2.66000 0.00000 2.38000 105.00000 1JYR2_20.PDB 2.86394 -22.61000 -6.11000 -11.60000 -11.69000 -5.44000 16.29000 -12.53000 0.28000 6.36000 5.27000 0.00000 0.00000 0.00000 0.13000 1.44000 0.01000 -1.38000 0.00000 -2.19000 0.00000 2.38000 105.00000 1JYR2_21.PDB 4.02046 -21.12000 -5.52000 -11.47000 -11.11000 -5.77000 16.23000 -11.99000 0.27000 6.78000 4.91000 0.00000 0.00000 0.00000 0.16000 1.48000 0.01000 -0.94000 0.00000 -2.68000 0.00000 2.38000 105.00000 1JYR2_22.PDB 2.97022 -20.90000 -6.21000 -9.54000 -12.00000 -4.38000 16.12000 -13.13000 0.46000 6.13000 4.34000 0.00000 0.00000 0.00000 0.11000 1.69000 0.00000 -0.93000 0.00000 -1.88000 0.00000 2.38000 105.00000 1JYR2_23.PDB 3.38283 -24.07000 -5.79000 -11.73000 -11.34000 -7.20000 16.67000 -12.06000 0.14000 5.96000 5.43000 0.00000 0.00000 0.00000 0.14000 1.55000 0.01000 -0.88000 0.00000 -3.41000 0.00000 2.38000 105.00000 1JYR2_24.PDB 3.26702 -21.06000 -6.73000 -11.06000 -11.43000 -4.94000 16.16000 -12.36000 1.26000 6.21000 4.63000 0.00000 0.00000 0.00000 0.16000 1.56000 0.00000 -0.75000 0.00000 -2.21000 0.00000 2.38000 105.00000 1JYR2_25.PDB 2.67294 -18.20000 -5.53000 -9.11000 -10.75000 -5.92000 15.67000 -11.68000 1.43000 5.91000 5.23000 0.00000 0.00000 0.00000 0.14000 1.41000 0.01000 -0.66000 0.00000 -2.92000 0.00000 2.38000 105.00000 1JYR2_26.PDB 3.09081 -22.90000 -5.90000 -10.57000 -10.80000 -5.48000 15.21000 -11.66000 0.18000 5.11000 4.88000 0.00000 0.00000 0.00000 0.10000 1.50000 0.01000 -1.35000 0.00000 -2.64000 0.00000 2.38000 105.00000 1JYR2_27.PDB 2.71011 -23.42000 -6.85000 -13.48000 -11.65000 -4.29000 16.34000 -12.56000 0.90000 6.81000 3.67000 0.00000 0.00000 0.00000 0.12000 1.70000 0.00000 -0.93000 0.00000 -1.50000 0.00000 2.38000 105.00000 1JYR2_28.PDB 3.61971 -20.55000 -5.55000 -9.97000 -11.05000 -6.11000 16.20000 -11.99000 0.28000 6.30000 5.21000 0.00000 0.00000 0.00000 0.13000 1.43000 0.01000 -0.92000 0.00000 -3.11000 0.00000 2.38000 105.00000 1JYR2_29.PDB 2.87408 -23.36000 -5.19000 -10.28000 -11.35000 -5.51000 15.50000 -12.53000 1.56000 5.07000 2.30000 0.00000 0.00000 0.00000 0.15000 1.68000 0.00000 -0.64000 0.00000 -2.45000 0.00000 2.38000 105.00000 1JYR2_30.PDB 2.68338 -24.61000 -5.87000 -11.19000 -11.19000 -7.96000 16.72000 -11.82000 0.28000 6.19000 4.44000 0.00000 0.00000 0.00000 0.10000 1.47000 0.01000 -0.43000 0.00000 -3.88000 0.00000 2.38000 105.00000