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 1_2C3I2.PDB 2.64005000 -27.95966580 -5.03750000 -11.93750000 -13.43656210 -15.84562214 24.43478414 -13.13344455 1.24157507 5.64059907 6.14343920 0.00000000 0.00000000 0.00000000 1.36170515 0.21032801 0.01079406 -0.27599859 0.00000000 -7.12593511 0.00000000 2.38400000 274.00000000 2_2C3I2.PDB 2.49681000 -26.21103880 -5.03750000 -11.63750000 -13.09454575 -14.50593952 23.75315467 -12.97170134 1.21936826 5.04324621 6.27889046 0.00000000 0.00000000 0.00000000 1.40901247 0.19772289 0.00713668 -0.35401013 0.00000000 -6.32065082 0.00000000 2.38400000 274.00000000 3_2C3I2.PDB 2.78749000 -29.79777624 -5.92500000 -12.78750000 -13.61724646 -15.79938595 24.80274506 -13.28953071 1.13509519 6.11350504 5.70031091 0.00000000 0.00000000 0.00000000 1.99429948 0.18470557 0.00216677 -0.53995118 0.00000000 -7.58728439 0.00000000 2.38400000 274.00000000 4_2C3I2.PDB 2.71631000 -28.01615932 -5.92500000 -12.11250000 -13.02101580 -13.52263211 23.13566495 -13.06473377 1.16535214 5.14623703 5.51142013 0.00000000 0.00000000 0.00000000 1.29004633 0.17641326 0.00458775 -0.17884233 0.00000000 -6.44474364 0.00000000 2.38400000 274.00000000 5_2C3I2.PDB 2.59879000 -29.20098557 -5.03750000 -11.93750000 -13.99689171 -17.30408401 26.30706150 -13.29259961 1.16940283 5.99731434 5.74361048 0.00000000 0.00000000 0.00000000 1.41143965 0.24810290 0.01147978 -0.31589844 0.00000000 -7.95682039 0.00000000 2.38400000 274.00000000 6_2C3I2.PDB 2.54466000 -26.41275536 -5.03750000 -11.26250000 -13.18904360 -14.61909563 24.21487105 -12.91660947 1.15129366 5.06334144 5.78014066 0.00000000 0.00000000 0.00000000 1.45103586 0.23802601 0.00807708 -0.29871276 0.00000000 -6.75805364 0.00000000 2.38400000 274.00000000 7_2C3I2.PDB 2.80612000 -28.11387810 -5.88750000 -11.16250000 -13.37328981 -17.22224949 24.99104221 -12.96226660 1.23111777 8.14448447 5.41933337 0.00000000 0.00000000 0.00000000 1.24515661 0.23686505 -0.03947796 -0.83394273 0.00000000 -7.66378595 0.00000000 2.38400000 274.00000000 8_2C3I2.PDB 2.74321000 -28.42754315 -5.92500000 -15.23750000 -12.63765972 -13.15099051 23.53196953 -12.66368067 1.20967637 6.87844356 5.20278330 0.00000000 0.00000000 0.00000000 1.10749928 0.17463739 -0.01093110 -0.11871917 0.00000000 -6.61343402 0.00000000 2.38400000 274.00000000 9_2C3I2.PDB 3.16148000 -28.01204407 -4.15000000 -11.80000000 -12.56737127 -15.59108574 23.08086792 -12.55011042 1.17920333 8.37218034 3.35654480 0.00000000 0.00000000 0.00000000 0.90735201 0.18424671 -0.00356113 -0.61471636 0.00000000 -7.63134755 0.00000000 2.38400000 274.00000000 10_2C3I2.PDB 3.22812000 -25.60168665 -4.75000000 -7.38750000 -14.24100363 -18.95810337 26.51258309 -13.77458521 1.44059302 7.82169016 5.37190854 0.00000000 0.00000000 0.00000000 1.59542717 0.26353424 0.04727714 -1.13033291 0.00000000 -8.14964064 0.00000000 2.38400000 274.00000000 11_2C3I2.PDB 2.52821000 -26.05711964 -5.03750000 -11.90000000 -12.89463608 -13.93940567 24.11582581 -12.79652519 1.09381664 6.32273686 4.49813267 0.00000000 0.00000000 0.00000000 1.18650734 0.21131291 0.00434209 -0.03261766 0.00000000 -6.67779646 0.00000000 2.38400000 274.00000000 12_2C3I2.PDB 2.50512000 -27.22946666 -5.03750000 -11.63750000 -12.51653029 -14.21738889 22.51799239 -12.69794851 1.23088526 6.34593584 5.07195392 0.00000000 0.00000000 0.00000000 0.90896419 0.18279557 0.00104087 -0.26392411 0.00000000 -6.93544734 0.00000000 2.38400000 274.00000000 13_2C3I2.PDB 2.98792000 -26.62146512 -5.03750000 -11.56250000 -13.20373331 -12.96252777 23.77019589 -13.33223254 1.15743880 5.05234519 4.77741981 0.00000000 0.00000000 0.00000000 0.98740209 0.22090831 -0.00251738 -0.12774354 0.00000000 -6.13751235 0.00000000 2.38400000 274.00000000 14_2C3I2.PDB 2.50096000 -25.69099141 -5.92500000 -12.45000000 -13.02328413 -12.84362243 23.91067677 -12.76614696 1.23944847 4.95560041 6.44570952 0.00000000 0.00000000 0.00000000 1.20295294 0.19699556 -0.00101360 -0.30148280 0.00000000 -6.13482961 0.00000000 2.38400000 274.00000000 15_2C3I2.PDB 2.72843000 -29.79286288 -5.03750000 -11.93750000 -13.99731995 -16.23421186 25.42335610 -13.74950511 1.29725287 5.57656080 5.42615182 0.00000000 0.00000000 0.00000000 1.46504679 0.25051863 0.01523343 -0.48507709 0.00000000 -7.55535068 0.00000000 2.38400000 274.00000000 16_2C3I2.PDB 3.88382000 -29.05148562 -5.92500000 -14.48750000 -14.01895571 -14.88105187 25.69679305 -13.86122068 2.07290565 5.94760421 5.65674820 0.00000000 0.00000000 0.00000000 1.96815837 0.23416681 0.00940682 -0.17361346 0.00000000 -7.05576020 0.00000000 2.38400000 274.00000000 17_2C3I2.PDB 2.80892000 -28.73579403 -5.00000000 -10.31250000 -13.71870746 -19.02076991 25.99545162 -13.17660387 1.31507485 8.08671546 4.61121169 0.00000000 0.00000000 0.00000000 1.11499786 0.25647950 -0.02782716 -0.30078249 0.00000000 -8.30205461 0.00000000 2.38400000 274.00000000 18_2C3I2.PDB 3.12336000 -25.76440796 -4.15000000 -9.86250000 -13.34257574 -14.16479494 24.05452898 -13.35422455 1.48264769 5.04903424 4.00787213 0.00000000 0.00000000 0.00000000 1.22192009 0.22593682 0.01138598 -0.15063377 0.00000000 -6.56706807 0.00000000 2.38400000 274.00000000 19_2C3I2.PDB 2.73517000 -25.34058031 -5.00000000 -9.90000000 -13.55017899 -15.55473510 24.44255020 -13.39953844 1.12423298 7.08345914 5.15317062 0.00000000 0.00000000 0.00000000 0.97566164 0.28486489 0.00913694 -0.23313718 0.00000000 -6.49120212 0.00000000 2.38400000 274.00000000 20_2C3I2.PDB 2.53897000 -25.67646605 -4.15000000 -11.83750000 -12.14570831 -14.52708824 22.88819121 -12.20750523 1.13499842 7.71472142 3.35966154 0.00000000 0.00000000 0.00000000 0.80542394 0.16151999 -0.00784878 0.10190079 0.00000000 -6.80571283 0.00000000 2.38400000 274.00000000 21_2C3I2.PDB 3.01028000 -29.03220735 -5.00000000 -11.67500000 -14.93641277 -18.36205183 28.22233503 -14.21771039 1.24359886 7.96795083 5.16419838 0.00000000 0.00000000 0.00000000 1.34985827 0.32542261 0.00968958 -0.48885560 0.00000000 -8.30980768 0.00000000 2.38400000 274.00000000 22_2C3I2.PDB 2.85709000 -28.52077867 -5.88750000 -10.86250000 -14.33395671 -17.66415614 26.66148370 -13.77799091 1.29468121 7.01267966 5.17309542 0.00000000 0.00000000 0.00000000 1.77649975 0.30209266 0.00505737 -0.32785182 0.00000000 -7.59032020 0.00000000 2.38400000 274.00000000 23_2C3I2.PDB 2.60386000 -26.91691401 -5.03750000 -13.75000000 -12.84684004 -14.28131894 24.13619628 -12.75312195 1.33650018 5.86054413 6.10439013 0.00000000 0.00000000 0.00000000 1.16877437 0.17890049 0.00563108 -0.32480368 0.00000000 -6.53536557 0.00000000 2.38400000 274.00000000 24_2C3I2.PDB 2.87347000 -26.35770239 -5.88750000 -13.23750000 -14.10641727 -15.49022076 26.29280817 -13.73107347 1.14732175 8.78267014 5.61047097 0.00000000 0.00000000 0.00000000 2.12747667 0.21787808 -0.00176998 -0.27749994 0.00000000 -7.58646866 0.00000000 2.38400000 274.00000000 25_2C3I2.PDB 3.02825000 -27.53606204 -5.03750000 -12.65000000 -12.79550390 -14.85828170 23.42415637 -12.69210497 1.33713259 6.67073995 5.32785206 0.00000000 0.00000000 0.00000000 1.04575502 0.16496980 -0.00778266 -0.08477989 0.00000000 -7.21574491 0.00000000 2.38400000 274.00000000 26_2C3I2.PDB 2.81537000 -26.20058055 -5.00000000 -11.75000000 -13.30345836 -15.41742589 24.88617715 -13.22701986 1.22866057 7.18758350 4.47797659 0.00000000 0.00000000 0.00000000 1.26825244 0.23561007 -0.00207415 -0.12002829 0.00000000 -6.42922424 0.00000000 2.38400000 274.00000000 27_2C3I2.PDB 2.97480000 -23.19311848 -4.15000000 -10.75000000 -12.28735196 -13.03673393 22.78121533 -12.16641466 1.28210390 5.80672595 4.75785941 0.00000000 0.00000000 0.00000000 0.89713580 0.17708483 -0.00664615 -0.08822744 0.00000000 -6.23278474 0.00000000 2.38400000 274.00000000 28_2C3I2.PDB 3.01396000 -24.02243355 -4.15000000 -11.08750000 -12.56412867 -12.88417454 23.22658373 -12.75526937 1.25313968 5.94180452 4.10479680 0.00000000 0.00000000 0.00000000 1.14568752 0.21320983 -0.00777444 0.07485202 0.00000000 -6.32045080 0.00000000 2.38400000 274.00000000 29_2C3I2.PDB 2.68756000 -28.25794330 -5.03750000 -13.67500000 -12.12946196 -14.05170480 23.23668895 -12.20862747 1.04441816 7.10741536 3.26992851 0.00000000 0.00000000 0.00000000 0.94605157 0.16108303 -0.00581591 -0.05381578 0.00000000 -6.70051994 0.00000000 2.38400000 274.00000000 30_2C3I2.PDB 2.95430000 -29.98205836 -5.00000000 -11.40000000 -14.13428721 -19.74505347 26.82010993 -13.31036196 1.24276486 9.69229904 4.53355959 0.00000000 0.00000000 0.00000000 1.18485068 0.25527590 0.00097833 -0.83101158 0.00000000 -9.03590657 0.00000000 2.38400000 274.00000000