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_1ATP2.PDB 7.60433000 -33.08475293 -7.20000000 -14.36250000 -24.93853365 -13.37578244 37.40144243 -31.32687587 3.58840744 11.57022166 9.42674078 0.00000000 0.00000000 0.00000000 2.74716022 1.42950576 0.06973885 -0.33769702 0.00000000 -6.34707534 0.00000000 2.38400000 356.00000000 2_1ATP2.PDB 7.94367000 -25.64515051 -5.46250000 -14.73750000 -25.14012223 -13.03585456 38.36619525 -31.62119792 4.46386295 11.60267214 9.41785198 0.00000000 0.00000000 0.00000000 6.37345506 1.36759058 0.08075665 0.03485464 0.00000000 -5.98762447 0.00000000 2.38400000 356.00000000 3_1ATP2.PDB 9.78170000 -30.58126508 -7.20000000 -16.02500000 -25.12346150 -14.00441960 38.57189256 -31.38108436 7.85560238 11.63617604 9.24699847 0.00000000 0.00000000 0.00000000 2.33256910 1.26474831 0.07089475 0.01537746 0.00000000 -6.57681040 0.00000000 2.38400000 356.00000000 4_1ATP2.PDB 7.66906000 -32.39050994 -6.31250000 -14.17500000 -25.10596488 -14.28037569 38.15304317 -31.21176387 3.29151746 12.27124391 9.04853585 0.00000000 0.00000000 0.00000000 2.71465453 1.20295803 0.06917999 -0.36424933 0.00000000 -6.48883110 0.00000000 2.38400000 356.00000000 5_1ATP2.PDB 7.79177000 -29.34262550 -7.20000000 -15.02500000 -26.27115532 -16.18697390 40.90796578 -32.33990449 7.72505588 12.89414351 10.24669271 0.00000000 0.00000000 0.00000000 2.85135738 1.33743586 0.08679067 -0.06661492 0.00000000 -6.96498279 0.00000000 2.38400000 356.00000000 6_1ATP2.PDB 12.09860000 -35.43428758 -5.67500000 -17.76250000 -24.81412083 -14.81621512 35.96651835 -31.31072670 6.30355875 10.52944036 10.36900789 0.00000000 0.00000000 0.00000000 2.71013269 1.12467253 0.07263019 -0.39516091 0.00000000 -6.61185224 0.00000000 2.38400000 356.00000000 7_1ATP2.PDB 8.03995000 -27.11680912 -5.46250000 -13.17500000 -25.16438076 -13.47246976 37.85850428 -31.69927956 5.96562122 11.22571742 9.24383566 0.00000000 0.00000000 0.00000000 3.18521824 1.52174036 0.08298015 0.00184047 0.00000000 -5.70689649 0.00000000 2.38400000 356.00000000 8_1ATP2.PDB 7.81763000 -30.82791782 -5.46250000 -12.28750000 -24.17138575 -13.39571600 35.65933082 -30.70637911 3.63039896 10.49360226 8.95224906 0.00000000 0.00000000 0.00000000 2.86586817 1.36318666 0.08444158 -0.47150538 0.00000000 -6.01882243 0.00000000 2.38400000 356.00000000 9_1ATP2.PDB 8.16904000 -32.28571598 -7.20000000 -14.32500000 -25.52534174 -13.53049829 39.25034786 -31.95635735 3.74103639 11.78696399 9.35613475 0.00000000 0.00000000 0.00000000 2.80292785 1.33167785 0.07632438 -0.55574642 0.00000000 -6.20650741 0.00000000 2.38400000 356.00000000 10_1ATP2.PDB 7.75556000 -32.67689181 -6.10000000 -13.30000000 -23.72231165 -14.44299584 35.52313360 -29.95066104 3.45267788 11.45077714 8.71381365 0.00000000 0.00000000 0.00000000 2.30563184 1.16212168 0.07902635 -0.21423540 0.00000000 -6.47174835 0.00000000 2.38400000 356.00000000 11_1ATP2.PDB 7.77951000 -30.73877368 -5.46250000 -13.21250000 -24.70628633 -15.54915791 38.45374605 -30.94377243 3.56259306 12.03190511 9.32498284 0.00000000 0.00000000 0.00000000 2.89049702 1.32746737 0.08504919 -0.48201858 0.00000000 -6.73131170 0.00000000 2.38400000 356.00000000 12_1ATP2.PDB 7.49639000 -29.62144370 -5.46250000 -13.57500000 -24.63310740 -13.80490405 37.51124830 -31.11207954 3.99754397 11.71899677 9.30194918 0.00000000 0.00000000 0.00000000 2.89787232 1.25577703 0.07851250 -0.26747916 0.00000000 -6.27249657 0.00000000 2.38400000 356.00000000 13_1ATP2.PDB 7.52588000 -30.14895440 -8.72500000 -15.85000000 -24.73478638 -13.20053221 36.73120256 -31.01962833 4.24633658 11.94072722 10.26083290 0.00000000 0.00000000 0.00000000 6.63736037 1.43311456 0.07353874 -0.09574459 0.00000000 -6.41326128 0.00000000 2.38400000 356.00000000 14_1ATP2.PDB 7.50705000 -37.94298366 -6.35000000 -16.10000000 -26.14967956 -18.25065361 39.78547492 -32.69505220 4.35281391 12.80654827 9.63930304 0.00000000 0.00000000 0.00000000 2.59536059 1.34746543 0.07887771 -0.48387846 0.00000000 -7.17209827 0.00000000 2.38400000 356.00000000 15_1ATP2.PDB 7.59264000 -27.12815506 -5.46250000 -12.28750000 -25.10264937 -14.37812656 37.99305694 -31.76157134 7.65147247 11.45605728 9.24162125 0.00000000 0.00000000 0.00000000 2.02509979 1.39912179 0.07921797 -0.12377475 0.00000000 -6.45855875 0.00000000 2.38400000 356.00000000 16_1ATP2.PDB 7.54986000 -35.41844592 -6.35000000 -13.68750000 -24.79793009 -15.34576990 36.89810398 -31.39778796 3.87808908 11.41754630 8.60781773 0.00000000 0.00000000 0.00000000 1.91221716 1.21414875 0.06875048 -0.07440274 0.00000000 -6.54757996 0.00000000 2.38400000 356.00000000 17_1ATP2.PDB 7.53852000 -33.40638552 -7.20000000 -14.32500000 -25.15686129 -14.98544181 38.04202824 -31.46577156 3.97935946 11.68170185 9.77697698 0.00000000 0.00000000 0.00000000 2.84078654 1.24150657 0.07931448 -0.08953479 0.00000000 -6.58394363 0.00000000 2.38400000 356.00000000 18_1ATP2.PDB 7.53177000 -31.65859014 -5.46250000 -12.80000000 -23.94468623 -14.53618026 37.23750616 -30.23811844 3.44759181 10.39315059 8.96524948 0.00000000 0.00000000 0.00000000 1.87292235 1.33240296 0.08139998 -0.56706190 0.00000000 -6.10786370 0.00000000 2.38400000 356.00000000 19_1ATP2.PDB 8.13065000 -28.73229612 -4.57500000 -17.06250000 -25.29495768 -15.34490254 39.27774742 -31.68979969 8.30190298 13.22012251 9.79750303 0.00000000 0.00000000 0.00000000 2.49622039 1.27797211 0.07155045 -0.66300227 0.00000000 -7.26718072 0.00000000 2.38400000 356.00000000 20_1ATP2.PDB 6.86036000 -35.03507564 -7.20000000 -18.10000000 -24.02311254 -13.18267121 38.12649443 -29.80277659 3.13153653 11.62194889 9.31180603 0.00000000 0.00000000 0.00000000 1.99792527 1.24969144 0.06336843 -0.55428829 0.00000000 -6.42530658 0.00000000 2.38400000 356.00000000 21_1ATP2.PDB 8.03977000 -29.41865318 -6.10000000 -13.45000000 -23.94020376 -13.61995504 36.92943303 -30.27675387 4.77693061 11.55857663 9.07680200 0.00000000 0.00000000 0.00000000 2.41761125 1.15784052 0.07191749 -0.29708067 0.00000000 -6.56593085 0.00000000 2.38400000 356.00000000 22_1ATP2.PDB 7.28815000 -33.84722490 -8.08750000 -15.58750000 -26.03843579 -13.78389261 39.98927467 -32.78264937 3.86651584 12.91807020 10.08070271 0.00000000 0.00000000 0.00000000 3.17690497 1.50054021 0.06396453 -0.74562495 0.00000000 -6.91705509 0.00000000 2.38400000 356.00000000 23_1ATP2.PDB 7.49030000 -25.43159509 -5.46250000 -12.28750000 -24.46974786 -13.19136732 37.18917138 -30.98895939 7.67542833 10.98138333 8.87105974 0.00000000 0.00000000 0.00000000 2.30386352 1.20561387 0.07932091 -0.06503707 0.00000000 -6.06671066 0.00000000 2.38400000 356.00000000 24_1ATP2.PDB 8.28993000 -34.01314982 -8.08750000 -15.25000000 -25.74581189 -14.22476891 40.26276949 -32.13340671 4.28135247 11.73893155 9.72905118 0.00000000 0.00000000 0.00000000 2.55008562 1.32364344 0.06652047 -0.64337209 0.00000000 -6.55700101 0.00000000 2.38400000 356.00000000 25_1ATP2.PDB 7.68587000 -31.57821084 -7.83750000 -14.96250000 -25.60101074 -14.12270459 39.52057639 -31.28244659 4.94516462 11.61269578 11.11342909 0.00000000 0.00000000 0.00000000 2.37280130 1.47578967 0.08098224 -1.03095691 0.00000000 -6.38674143 0.00000000 2.38400000 356.00000000 26_1ATP2.PDB 7.06518000 -30.76778913 -5.46250000 -14.40000000 -25.91539930 -13.50249539 39.21318816 -32.50318308 4.85466913 11.47337607 9.96756870 0.00000000 0.00000000 0.00000000 2.35963423 1.41933239 0.08833549 -0.59921857 0.00000000 -6.34176457 0.00000000 2.38400000 356.00000000 27_1ATP2.PDB 8.73408000 -32.48968876 -7.83750000 -15.60000000 -24.87162572 -14.69600099 38.88333649 -30.36376567 4.53883774 11.97925813 10.50976586 0.00000000 0.00000000 0.00000000 2.49978276 1.25085731 0.07919892 -0.96861421 0.00000000 -6.64236209 0.00000000 2.38400000 356.00000000 28_1ATP2.PDB 8.01041000 -31.24476815 -5.46250000 -14.80000000 -24.43179873 -14.02988916 37.28127022 -30.82138671 3.35668155 12.04868120 9.17363093 0.00000000 0.00000000 0.00000000 3.06249520 1.18211784 0.07106195 -0.42246716 0.00000000 -6.27054745 0.00000000 2.38400000 356.00000000 29_1ATP2.PDB 7.36876000 -33.76962954 -7.83750000 -14.28750000 -24.42400769 -11.29436243 35.72648147 -30.86854124 3.34649730 10.54351867 9.43287082 0.00000000 0.00000000 0.00000000 2.30161566 1.36117520 0.09427301 -0.74721485 0.00000000 -5.75576027 0.00000000 2.38400000 356.00000000 30_1ATP2.PDB 8.09362000 -31.44699307 -6.10000000 -13.11250000 -24.65758526 -14.70358191 37.16860245 -30.88505402 5.03970950 11.83318600 8.63444368 0.00000000 0.00000000 0.00000000 2.38416734 1.34284918 0.09168451 -0.59410238 0.00000000 -6.54596298 0.00000000 2.38400000 356.00000000