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_1Q1T2.PDB 3.09881000 -10.84781910 -4.78750000 -7.31250000 -11.92190938 -2.78837031 18.63445896 -12.70023334 1.00550748 4.32936400 5.40816806 0.00000000 0.00000000 0.00000000 1.28922981 4.59818248 -0.11648783 -0.31239352 0.00000000 -1.57515302 0.00000000 2.38400000 435.00000000 2_1Q1T2.PDB 2.91648000 -9.27031719 -3.01250000 -6.25000000 -11.57274870 -3.51514732 17.88957262 -12.55220585 1.52480500 3.90013702 4.94106005 0.00000000 0.00000000 0.00000000 1.33974534 3.94986144 -0.08455836 -0.08807733 0.00000000 -1.79039965 0.00000000 2.38400000 435.00000000 3_1Q1T2.PDB 2.27988000 -8.21894970 -3.90000000 -5.06250000 -10.68360120 -2.63427030 16.13730847 -11.76468065 0.90284392 4.11054539 5.54572921 0.00000000 0.00000000 0.00000000 1.31589404 4.18379396 -0.05098991 -0.64657831 0.00000000 -1.48865035 0.00000000 2.38400000 435.00000000 4_1Q1T2.PDB 3.65540000 -11.19018498 -3.26250000 -12.55000000 -12.92575930 -3.16879127 21.13053628 -12.49813988 1.45405848 3.98633832 5.00008729 0.00000000 0.00000000 0.00000000 3.40973098 4.72032230 -0.16932284 0.04370939 0.00000000 -1.64013243 0.00000000 2.38400000 435.00000000 5_1Q1T2.PDB 2.64274000 -11.14045510 -4.75000000 -9.98750000 -12.42465414 -3.09311789 20.03388011 -12.49428816 1.47025883 4.89560114 5.10866579 0.00000000 0.00000000 0.00000000 1.92183018 4.89985610 -0.15431760 -0.00645926 0.00000000 -1.66035411 0.00000000 2.38400000 435.00000000 6_1Q1T2.PDB 2.71937000 -12.65615757 -4.15000000 -10.67500000 -11.98645194 -3.48556975 19.42570325 -12.15290054 1.30354021 4.52344240 5.11835417 0.00000000 0.00000000 0.00000000 1.46542921 4.33322340 -0.13453315 -0.12946631 0.00000000 -1.77870514 0.00000000 2.38400000 435.00000000 7_1Q1T2.PDB 1.77124000 -5.59976245 -2.12500000 -2.53750000 -9.73403038 -3.65985884 15.13647239 -10.40700736 1.65561198 2.29678995 4.85669277 0.00000000 0.00000000 0.00000000 1.30881113 3.63023062 -0.08388324 -0.25352303 0.00000000 -2.05333781 0.00000000 2.38400000 435.00000000 8_1Q1T2.PDB 2.33097000 -11.18213036 -3.90000000 -7.33750000 -11.88755431 -4.39475439 19.33328352 -11.82137532 1.33806287 3.08743776 5.48526533 0.00000000 0.00000000 0.00000000 1.37845389 3.71033594 -0.11195273 -0.25842569 0.00000000 -2.09307128 0.00000000 2.38400000 435.00000000 9_1Q1T2.PDB 2.08942000 -9.21789130 -3.90000000 -4.61250000 -11.39861614 -3.60298709 17.42119109 -12.48558049 1.30026609 3.28508817 5.46043352 0.00000000 0.00000000 0.00000000 1.44947067 3.83435214 -0.07634148 -0.21373847 0.00000000 -1.84457718 0.00000000 2.38400000 435.00000000 10_1Q1T2.PDB 1.97710000 -8.63167246 -3.90000000 -6.80000000 -10.76444658 -2.87661833 17.28305748 -10.93504360 0.95863769 3.58914145 5.91490178 0.00000000 0.00000000 0.00000000 1.22971744 4.13916804 -0.07332759 -0.59843762 0.00000000 -1.65925458 0.00000000 2.38400000 435.00000000 11_1Q1T2.PDB 2.15537000 -9.43768315 -3.90000000 -4.98750000 -11.19956548 -3.54131771 17.02056712 -12.20564202 1.21349975 3.42375642 5.26089435 0.00000000 0.00000000 0.00000000 1.48745713 3.54074302 -0.07021970 -0.13309682 0.00000000 -1.80651618 0.00000000 2.38400000 435.00000000 12_1Q1T2.PDB 2.94490000 -7.88497383 -4.11250000 -8.63750000 -11.68046915 -3.35498400 19.95417663 -11.18080213 2.58418491 4.20564194 4.98200258 0.00000000 0.00000000 0.00000000 1.41961172 4.73932061 -0.16743967 -0.00890570 0.00000000 -1.88799096 0.00000000 2.38400000 435.00000000 13_1Q1T2.PDB 2.61615000 -10.59561348 -4.75000000 -7.31250000 -10.99117570 -2.68377931 17.58560555 -12.39459951 1.59429718 3.93653027 5.23173671 0.00000000 0.00000000 0.00000000 1.28868273 3.95624238 -0.10582162 -0.37856926 0.00000000 -1.61602053 0.00000000 2.38400000 435.00000000 14_1Q1T2.PDB 2.33085000 -8.35800075 -3.86250000 -4.68750000 -11.64779125 -3.07998019 17.61070628 -12.39069036 1.59506487 3.23643163 5.13567240 0.00000000 0.00000000 0.00000000 1.52966009 4.55348071 -0.10634259 -0.12079563 0.00000000 -1.56993602 0.00000000 2.38400000 435.00000000 15_1Q1T2.PDB 3.15644000 -6.62401735 -3.93750000 -9.10000000 -12.36948581 -3.36560128 20.11516304 -12.43211021 4.89974488 4.74024478 4.74388667 0.00000000 0.00000000 0.00000000 2.06214005 4.83538981 -0.13454909 -0.02560963 0.00000000 -1.82034073 0.00000000 2.38400000 435.00000000 16_1Q1T2.PDB 3.12102000 -10.84141269 -5.88750000 -8.67500000 -12.09276764 -3.87440393 20.84245687 -11.51926687 1.31434678 4.46543082 5.11719401 0.00000000 0.00000000 0.00000000 1.66693365 4.40399305 -0.17296517 -0.08567055 0.00000000 -1.94020066 0.00000000 2.38400000 435.00000000 17_1Q1T2.PDB 1.73086000 -10.26647289 -3.90000000 -6.38750000 -10.66513051 -2.26478361 16.49144209 -12.15632242 1.29342962 2.73643067 5.03940224 0.00000000 0.00000000 0.00000000 1.06302187 4.24054047 -0.11591022 -0.16968652 0.00000000 -1.23086609 0.00000000 2.38400000 435.00000000 18_1Q1T2.PDB 2.47723000 -12.83882902 -5.88750000 -10.41250000 -12.96509982 -4.33529685 22.33284079 -12.25876908 1.90506274 4.52148986 5.69716943 0.00000000 0.00000000 0.00000000 1.33678799 4.21322790 -0.18777658 -0.37321165 0.00000000 -2.21202585 0.00000000 2.38400000 435.00000000 19_1Q1T2.PDB 1.98657000 -8.23531146 -2.16250000 -4.23750000 -10.87995257 -2.97528132 15.56907641 -12.24778267 1.00428668 3.37159703 4.74403091 0.00000000 0.00000000 0.00000000 1.30812802 4.39923088 -0.08034510 -0.13599871 0.00000000 -1.51307013 0.00000000 2.38400000 435.00000000 20_1Q1T2.PDB 2.73153000 -11.67698756 -5.63750000 -7.75000000 -12.75764167 -3.81597414 20.15913121 -13.01543251 1.66908713 4.73128941 5.28541551 0.00000000 0.00000000 0.00000000 1.61581263 4.49045945 -0.15085900 -0.14257279 0.00000000 -1.86774333 0.00000000 2.38400000 435.00000000 21_1Q1T2.PDB 2.97699000 -9.71819808 -3.93750000 -7.13750000 -11.59153455 -3.00795761 18.15626103 -12.65494004 1.81501211 4.77242823 4.38640937 0.00000000 0.00000000 0.00000000 1.54982795 4.61865334 -0.07701276 -0.29461192 0.00000000 -1.69707993 0.00000000 2.38400000 435.00000000 22_1Q1T2.PDB 2.31545000 -10.48332624 -3.90000000 -5.97500000 -11.78127961 -3.76710729 17.85482996 -12.47224181 1.45686919 3.46265580 5.23014450 0.00000000 0.00000000 0.00000000 1.59219072 3.60145003 -0.09945009 -0.29139490 0.00000000 -1.79354271 0.00000000 2.38400000 435.00000000 23_1Q1T2.PDB 2.15251000 -7.60353077 -3.01250000 -3.42500000 -10.93267872 -2.77013006 15.75026584 -12.31919310 1.04636986 3.41243336 4.90444062 0.00000000 0.00000000 0.00000000 1.36065643 4.42746524 -0.08546937 -0.10301475 0.00000000 -1.42971086 0.00000000 2.38400000 435.00000000 24_1Q1T2.PDB 2.57785000 -9.66970767 -4.75000000 -6.93750000 -11.59548637 -3.67024652 19.16597518 -11.43117447 1.51405906 3.50634161 4.99134494 0.00000000 0.00000000 0.00000000 1.79048620 4.76205563 -0.13202131 -0.25378847 0.00000000 -1.86769751 0.00000000 2.38400000 435.00000000 25_1Q1T2.PDB 2.01261000 -9.59167810 -3.90000000 -5.67500000 -10.24191128 -2.46698436 15.50925550 -11.79623483 1.87761055 2.48991786 5.29027808 0.00000000 0.00000000 0.00000000 1.12880215 3.61723892 -0.09063189 -0.39501175 0.00000000 -1.32176813 0.00000000 2.38400000 435.00000000 26_1Q1T2.PDB 2.51390000 -11.77499654 -5.88750000 -8.67500000 -12.68690789 -3.01927343 20.58318860 -12.79755484 1.48757733 4.49327246 5.25165848 0.00000000 0.00000000 0.00000000 1.69781630 4.47531498 -0.16733623 -0.32286722 0.00000000 -1.73207011 0.00000000 2.38400000 435.00000000 27_1Q1T2.PDB 2.63499000 -8.38025441 -5.85000000 -7.68750000 -12.52385191 -2.95430550 19.75774937 -12.58066427 3.72064867 4.59484696 5.21839292 0.00000000 0.00000000 0.00000000 1.76309825 4.87209960 -0.17986994 -0.01850741 0.00000000 -1.64029156 0.00000000 2.38400000 435.00000000 28_1Q1T2.PDB 1.69606000 -7.06022940 -3.05000000 -3.05000000 -10.13861519 -2.22142525 14.83729436 -11.66408373 0.97636924 2.73629723 5.45979419 0.00000000 0.00000000 0.00000000 1.13734246 4.19137588 -0.09040725 -0.72036845 0.00000000 -1.27242701 0.00000000 2.38400000 435.00000000 29_1Q1T2.PDB 2.05911000 -9.75061124 -3.01250000 -5.16250000 -11.41615922 -2.76683379 16.49209066 -12.94529310 1.03278744 3.86885941 4.54883773 0.00000000 0.00000000 0.00000000 1.35166985 4.25712757 -0.07873411 -0.24834639 0.00000000 -1.41448972 0.00000000 2.38400000 435.00000000 30_1Q1T2.PDB 2.22204000 -11.35991111 -5.67500000 -8.76250000 -11.70754576 -2.18564670 19.08347081 -12.43596920 1.39764153 3.61471335 5.13334940 0.00000000 0.00000000 0.00000000 1.57872633 4.80948647 -0.16364055 0.00546105 0.00000000 -1.24297137 0.00000000 2.38400000 435.00000000