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_1PTU2.PDB 7.65795000 -16.01903793 -6.56250000 -11.17500000 -8.90478523 -3.23150271 17.40852754 -10.03254056 0.08885556 3.16228015 4.22694461 0.00000000 0.00000000 0.00000000 1.01487678 0.42138911 -0.07281503 -0.65226228 0.00000000 -1.28911677 0.00000000 2.38400000 303.00000000 2_1PTU2.PDB 7.30586000 -13.53142844 -7.45000000 -10.32500000 -8.93189730 -2.34533116 17.67371957 -9.98219362 1.15707995 3.00706754 4.91172647 0.00000000 0.00000000 0.00000000 0.71066929 0.43415485 -0.12355603 -0.68944699 0.00000000 -1.14426617 0.00000000 2.38400000 303.00000000 3_1PTU2.PDB 8.41575000 -17.69492166 -8.33750000 -12.57500000 -9.09718255 -2.32419645 18.24491061 -10.06627211 0.27496368 3.07342534 4.13363823 0.00000000 0.00000000 0.00000000 0.75916659 0.40352385 -0.11749529 -0.54339762 0.00000000 -1.11998211 0.00000000 2.38400000 303.00000000 4_1PTU2.PDB 4.67354000 -14.02266860 -6.56250000 -7.70000000 -7.56948081 -3.38659267 14.25441034 -8.75665266 0.63303705 1.41835321 4.44616932 0.00000000 0.00000000 0.00000000 0.67686587 0.39325343 -0.07014371 -0.13811592 0.00000000 -1.26801862 0.00000000 2.38400000 303.00000000 5_1PTU2.PDB 7.65246000 -17.66721075 -6.56250000 -11.17500000 -8.57442922 -4.09111481 16.39475326 -9.80614062 0.32049477 3.40989735 4.27511880 0.00000000 0.00000000 0.00000000 0.75452841 0.41573986 -0.06954238 -0.55608510 0.00000000 -1.98719122 0.00000000 2.38400000 303.00000000 6_1PTU2.PDB 7.82595000 -18.07815427 -7.45000000 -10.80000000 -9.34250639 -2.90281843 16.86040213 -11.19584153 0.24232607 2.49278968 4.53650770 0.00000000 0.00000000 0.00000000 0.93871539 0.49945056 -0.07218638 -0.54222886 0.00000000 -0.84331365 0.00000000 2.38400000 303.00000000 7_1PTU2.PDB 5.32666000 -16.00159948 -8.33750000 -9.06250000 -7.78992270 -2.64089606 15.26370999 -8.84463088 0.33593350 1.46894648 4.41077962 0.00000000 0.00000000 0.00000000 0.60684732 0.38576066 -0.11020511 -0.24082978 0.00000000 -1.06133186 0.00000000 2.38400000 303.00000000 8_1PTU2.PDB 7.52494000 -13.78529082 -6.56250000 -9.43750000 -9.19011919 -3.01568996 18.14276084 -10.29168927 0.64261639 3.25029919 4.34692739 0.00000000 0.00000000 0.00000000 0.72100319 0.43562379 -0.11839930 -0.68814807 0.00000000 -1.58485204 0.00000000 2.38400000 303.00000000 9_1PTU2.PDB 5.23486000 -14.73696214 -7.45000000 -7.70000000 -8.01249878 -3.11691225 15.25313527 -9.10534553 0.22982921 1.54501350 4.39892406 0.00000000 0.00000000 0.00000000 0.58057705 0.42220797 -0.06745939 -0.12269224 0.00000000 -1.16953304 0.00000000 2.38400000 303.00000000 10_1PTU2.PDB 5.34957000 -15.43377999 -7.45000000 -9.57500000 -8.95112057 -3.23762496 17.02139092 -10.15656804 1.13338626 3.35297140 4.18498768 0.00000000 0.00000000 0.00000000 0.98813526 0.43764480 -0.12332871 -0.68086424 0.00000000 -1.94014500 0.00000000 2.38400000 303.00000000 11_1PTU2.PDB 7.44536000 -17.55531603 -6.56250000 -10.80000000 -9.65689731 -3.07024086 17.41016039 -11.51285501 0.22346211 2.48794471 4.38131050 0.00000000 0.00000000 0.00000000 1.00140407 0.46717282 -0.06971243 -0.50461493 0.00000000 -0.88277727 0.00000000 2.38400000 303.00000000 12_1PTU2.PDB 7.58090000 -17.10056070 -7.45000000 -11.61250000 -9.56922356 -1.78987151 17.85184688 -11.28871622 0.12855694 2.38028219 4.31508171 0.00000000 0.00000000 0.00000000 1.05227470 0.51141896 -0.09042513 -0.50625399 0.00000000 -0.52161273 0.00000000 2.38400000 303.00000000 13_1PTU2.PDB 4.90455000 -15.73869541 -6.56250000 -11.17500000 -9.21544009 -3.18177592 17.86025344 -10.31304421 0.36045131 2.96704108 4.52699878 0.00000000 0.00000000 0.00000000 0.88514347 0.42501357 -0.06897874 -0.68564991 0.00000000 -1.13619462 0.00000000 2.38400000 303.00000000 14_1PTU2.PDB 5.38600000 -13.98707972 -6.56250000 -7.32500000 -7.74007754 -3.38367536 14.70864921 -8.92012239 0.29699426 1.55430599 4.38642130 0.00000000 0.00000000 0.00000000 0.60945797 0.41895288 -0.06421666 -0.23258569 0.00000000 -1.31473080 0.00000000 2.38400000 303.00000000 15_1PTU2.PDB 5.27596000 -13.89387350 -6.56250000 -7.32500000 -8.66463205 -2.20752313 15.36870757 -10.51567450 0.20357789 0.72078845 4.62140989 0.00000000 0.00000000 0.00000000 0.82256779 0.48820066 -0.06635350 -0.10255003 0.00000000 -0.18669188 0.00000000 2.38400000 303.00000000 16_1PTU2.PDB 7.57789000 -16.45712566 -6.56250000 -11.13750000 -9.21774319 -2.01589176 16.92948155 -10.94778892 0.19114297 2.63627551 4.29956936 0.00000000 0.00000000 0.00000000 0.93458382 0.45604700 -0.14814353 -0.50716476 0.00000000 -0.91144669 0.00000000 2.38400000 303.00000000 17_1PTU2.PDB 7.40583000 -16.01134159 -6.56250000 -11.17500000 -9.08478799 -3.63480089 17.85570252 -10.18960436 0.38682571 3.29450539 4.50383355 0.00000000 0.00000000 0.00000000 0.77536641 0.40204519 -0.07117565 -0.63481131 0.00000000 -1.47489498 0.00000000 2.38400000 303.00000000 18_1PTU2.PDB 7.74290000 -17.28149924 -6.56250000 -11.17500000 -8.88665645 -4.00894260 17.10045495 -10.08015882 0.40149018 3.33079279 4.14459776 0.00000000 0.00000000 0.00000000 0.86804314 0.41419519 -0.07118255 -0.57053475 0.00000000 -1.77190289 0.00000000 2.38400000 303.00000000 19_1PTU2.PDB 7.76913000 -14.86785978 -7.45000000 -10.32500000 -8.99208041 -2.91214742 17.73870714 -10.10625819 0.81825713 3.38272387 4.46641190 0.00000000 0.00000000 0.00000000 0.85782028 0.42855285 -0.12731148 -0.69448725 0.00000000 -1.52449536 0.00000000 2.38400000 303.00000000 20_1PTU2.PDB 7.61545000 -15.36300271 -8.33750000 -11.21250000 -9.39258593 -2.97173211 18.91704977 -9.76641957 0.37934888 3.60967847 4.55380434 0.00000000 0.00000000 0.00000000 0.71943235 0.40423527 -0.09254249 -0.63506679 0.00000000 -1.13396964 0.00000000 2.38400000 303.00000000 21_1PTU2.PDB 5.32201000 -12.73043369 -7.45000000 -6.95000000 -7.81036177 -2.43281613 15.17178656 -8.91347238 0.67497378 1.44316206 4.38793957 0.00000000 0.00000000 0.00000000 0.72659588 0.41892820 -0.11338225 -0.23874277 0.00000000 -1.22611623 0.00000000 2.38400000 303.00000000 22_1PTU2.PDB 4.64676000 -12.68340454 -6.56250000 -6.00000000 -7.66316233 -3.77040035 14.53178737 -8.83450463 0.74417841 1.95773117 4.26793824 0.00000000 0.00000000 0.00000000 0.67646852 0.39864616 -0.08063579 -0.14881174 0.00000000 -1.80149342 0.00000000 2.38400000 303.00000000 23_1PTU2.PDB 6.23996000 -15.77695249 -8.33750000 -8.72500000 -8.14209794 -1.57051691 14.94086090 -9.85515504 0.34634235 0.75884380 4.51748895 0.00000000 0.00000000 0.00000000 0.68590759 0.46234341 -0.10936055 -0.14384358 0.00000000 -0.14292205 0.00000000 2.38400000 303.00000000 24_1PTU2.PDB 8.78783000 -18.63872246 -8.33750000 -12.31250000 -9.85467973 -1.71578786 18.20401561 -11.67612667 0.24614682 2.60103080 4.61269396 0.00000000 0.00000000 0.00000000 0.91371869 0.48150779 -0.11516079 -0.57036718 0.00000000 -0.63420610 0.00000000 2.38400000 303.00000000 25_1PTU2.PDB 8.15606000 -14.57202018 -7.45000000 -11.36250000 -8.93994262 -2.50792393 17.76361734 -10.03558361 1.73648154 3.20620827 4.15970855 0.00000000 0.00000000 0.00000000 0.87031404 0.38711170 -0.14587313 -0.57455183 0.00000000 -1.29197481 0.00000000 2.38400000 303.00000000 26_1PTU2.PDB 5.92617000 -15.79003407 -8.33750000 -8.72500000 -8.08205696 -1.63331205 15.01244595 -9.70057271 0.22916805 0.67924128 4.48711588 0.00000000 0.00000000 0.00000000 0.77249705 0.43918034 -0.10916858 -0.15325221 0.00000000 -0.22963977 0.00000000 2.38400000 303.00000000 27_1PTU2.PDB 7.65030000 -15.21995026 -7.45000000 -10.32500000 -8.69120204 -3.41062458 17.99473775 -9.27897801 0.47446990 3.01449329 4.08603463 0.00000000 0.00000000 0.00000000 0.71365751 0.38187155 -0.11383083 -0.60749990 0.00000000 -1.62620798 0.00000000 2.38400000 303.00000000 28_1PTU2.PDB 7.58726000 -16.01285153 -6.56250000 -10.80000000 -8.91059466 -3.23305682 17.47460978 -10.06409230 0.17149211 2.98584529 4.08950597 0.00000000 0.00000000 0.00000000 0.84962206 0.41573700 -0.07049361 -0.58608997 0.00000000 -1.35709937 0.00000000 2.38400000 303.00000000 29_1PTU2.PDB 7.80944000 -15.38491138 -6.56250000 -10.28750000 -9.46635793 -2.41717082 17.25974170 -11.26446705 0.85247410 2.66427093 4.51172641 0.00000000 0.00000000 0.00000000 0.97723252 0.49658672 -0.11582985 -0.47766430 0.00000000 -1.05886710 0.00000000 2.38400000 303.00000000 30_1PTU2.PDB 6.40466000 -11.54995140 -5.71250000 -6.47500000 -7.61269723 -3.13022723 13.59039004 -8.53554289 2.14553629 1.49894167 3.45289831 0.00000000 0.00000000 0.00000000 0.60797325 0.39379514 -0.10770806 -0.10599836 0.00000000 -1.16601721 0.00000000 2.38400000 303.00000000