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_1P222.PDB 8.09529000 -15.42869056 -4.57500000 -7.06250000 -10.54617110 -2.46865931 13.98053081 -12.81957147 1.42389048 5.58540453 3.85605061 0.00000000 0.00000000 0.00000000 0.46798847 1.54069378 0.00000000 -0.41076126 0.00000000 -2.85989232 0.00000000 2.38400000 329.00000000 2_1P222.PDB 9.63674000 -18.31474461 -3.68750000 -11.46250000 -10.08899363 -3.02034544 14.39619779 -12.11580642 1.70559183 6.18976302 3.66974821 0.00000000 0.00000000 0.00000000 0.47977710 1.52921515 0.00000000 -0.80982123 0.00000000 -3.57085583 0.00000000 2.38400000 329.00000000 3_1P222.PDB 8.50567000 -16.22756394 -3.68750000 -7.02500000 -9.59116957 -2.42094176 12.40086559 -11.90879812 1.06262465 4.67830039 3.52407461 0.00000000 0.00000000 0.00000000 0.48455474 1.57566294 0.00000000 -0.69210969 0.00000000 -3.05246479 0.00000000 2.38400000 329.00000000 4_1P222.PDB 8.86621000 -15.34908643 -4.57500000 -6.68750000 -10.47411288 -2.03953435 13.70408828 -12.79547529 1.49330782 5.36561907 3.44651402 0.00000000 0.00000000 0.00000000 0.29418714 1.55257702 0.00000000 -0.63413002 0.00000000 -2.44705021 0.00000000 2.38400000 329.00000000 5_1P222.PDB 7.97854000 -18.12793590 -4.53750000 -10.20000000 -9.83916105 -2.98348861 13.72307954 -11.89660317 1.98327430 6.17594351 3.40175827 0.00000000 0.00000000 0.00000000 0.30842577 1.54422916 0.00000000 -0.79729604 0.00000000 -3.46636841 0.00000000 2.38400000 329.00000000 6_1P222.PDB 7.79421000 -14.14103605 -4.53750000 -4.91250000 -8.91743477 -2.45430841 11.35585459 -11.53951792 1.13223509 5.33009884 3.04492468 0.00000000 0.00000000 0.00000000 0.30118311 1.58254414 0.00000000 -0.24970623 0.00000000 -2.69436503 0.00000000 2.38400000 329.00000000 7_1P222.PDB 7.46793000 -13.44436699 -4.57500000 -6.68750000 -10.35653769 -1.76752623 13.38238528 -12.84623346 1.72850169 5.19642045 4.62828367 0.00000000 0.00000000 0.00000000 0.40708613 1.61855190 0.00000000 -0.22819858 0.00000000 -2.32604824 0.00000000 2.38400000 329.00000000 8_1P222.PDB 8.92945000 -14.66943882 -4.57500000 -7.77500000 -10.21701830 -3.12364753 14.38073196 -12.24444475 1.65477163 5.43906269 4.70419162 0.00000000 0.00000000 0.00000000 0.90989537 1.54006466 0.00000000 -0.30859229 0.00000000 -3.51438921 0.00000000 2.38400000 329.00000000 9_1P222.PDB 7.98951000 -13.73562107 -3.68750000 -6.17500000 -9.35722693 -2.37188816 12.16594182 -11.78273136 0.87794291 4.80241377 4.58386447 0.00000000 0.00000000 0.00000000 0.41100265 1.57911125 0.00000000 -0.34462158 0.00000000 -2.85781865 0.00000000 2.38400000 329.00000000 10_1P222.PDB 7.70140000 -15.35570677 -5.42500000 -7.95000000 -10.51992504 -1.59343765 13.94401212 -12.90126470 1.76556091 5.41603074 4.41696329 0.00000000 0.00000000 0.00000000 0.28440785 1.54601794 0.00000000 -0.68849104 0.00000000 -2.10456325 0.00000000 2.38400000 329.00000000 11_1P222.PDB 9.10758000 -14.47214827 -4.57500000 -7.06250000 -10.54983360 -1.58199090 13.65975366 -12.94157585 1.58430994 4.91182276 4.58630717 0.00000000 0.00000000 0.00000000 0.32579301 1.55307968 0.00000000 -0.59691530 0.00000000 -2.23231915 0.00000000 2.38400000 329.00000000 12_1P222.PDB 7.87216000 -15.93340559 -3.68750000 -9.31250000 -9.60176840 -2.16660625 13.04658031 -11.90643988 1.42559167 5.09541895 4.23124347 0.00000000 0.00000000 0.00000000 0.32329357 1.53069471 0.00000000 -0.56019185 0.00000000 -2.82052718 0.00000000 2.38400000 329.00000000 13_1P222.PDB 9.46234000 -13.49146062 -3.68750000 -6.43750000 -9.54351341 -1.92105866 12.68472493 -11.99619566 1.01627790 4.93622789 4.23256831 0.00000000 0.00000000 0.00000000 0.35592975 1.57760803 0.00000000 -0.55250401 0.00000000 -2.57891765 0.00000000 2.38400000 329.00000000 14_1P222.PDB 9.62425000 -13.15060437 -4.57500000 -6.13750000 -9.85639219 -2.92686486 13.91596219 -11.82017624 1.36270434 4.20972654 6.19125119 0.00000000 0.00000000 0.00000000 0.51737227 1.58856438 0.00000000 -0.53500487 0.00000000 -3.49668274 0.00000000 2.38400000 329.00000000 15_1P222.PDB 9.50799000 -12.81058609 -4.57500000 -6.27500000 -10.32570158 -0.85624064 13.58999102 -12.85474647 1.48590863 4.39233265 4.31539427 0.00000000 0.00000000 0.00000000 0.29946040 1.51944141 0.00000000 -0.33203681 0.00000000 -1.67494756 0.00000000 2.38400000 329.00000000 16_1P222.PDB 8.58642000 -14.98925145 -3.68750000 -7.57500000 -9.43496285 -1.82556895 11.92333590 -11.89793501 1.07286207 4.64246735 4.43088741 0.00000000 0.00000000 0.00000000 0.38773205 1.57911125 0.00000000 -0.40796743 0.00000000 -2.61760200 0.00000000 2.38400000 329.00000000 17_1P222.PDB 8.03972000 -16.59878108 -4.57500000 -8.80000000 -10.32652019 -2.49623400 13.59422762 -12.78968432 1.72569023 5.98618993 3.78863983 0.00000000 0.00000000 0.00000000 0.42219180 1.55977851 0.00000000 -0.09626593 0.00000000 -3.03201605 0.00000000 2.38400000 329.00000000 18_1P222.PDB 8.88721000 -16.07109338 -3.68750000 -9.31250000 -9.70562969 -2.18950673 12.97779887 -11.95617521 1.59169398 5.12883934 4.17746732 0.00000000 0.00000000 0.00000000 0.30428823 1.52919554 0.00000000 -0.57576289 0.00000000 -2.82410659 0.00000000 2.38400000 329.00000000 19_1P222.PDB 7.80931000 -18.63185640 -3.68750000 -11.42500000 -9.84450282 -3.22717990 13.69448540 -12.08602729 1.90234700 6.61226115 3.62647469 0.00000000 0.00000000 0.00000000 0.45889028 1.52921515 0.00000000 -0.80037930 0.00000000 -3.85572560 0.00000000 2.38400000 329.00000000 20_1P222.PDB 7.17588000 -13.62509790 -3.68750000 -5.76250000 -9.17989926 -1.73358881 11.72526883 -11.81320781 0.89439192 4.53880263 4.06861833 0.00000000 0.00000000 0.00000000 0.28503215 1.56561932 0.00000000 -0.55085320 0.00000000 -2.40966268 0.00000000 2.38400000 329.00000000 21_1P222.PDB 8.93003000 -15.45901313 -3.68750000 -7.16250000 -9.47943105 -2.52872134 12.72567595 -12.00075066 1.31814179 5.46223496 3.46627401 0.00000000 0.00000000 0.00000000 0.40862195 1.56715063 0.00000000 -0.69769509 0.00000000 -3.28336364 0.00000000 2.38400000 329.00000000 22_1P222.PDB 8.92106000 -15.08911882 -4.57500000 -6.65000000 -10.06777163 -2.01368745 13.01470768 -12.49232353 1.91799561 5.26730636 3.37484928 0.00000000 0.00000000 0.00000000 0.26735951 1.54059237 0.00000000 -0.57853576 0.00000000 -2.55401889 0.00000000 2.38400000 329.00000000 23_1P222.PDB 9.22848000 -17.04189951 -2.80000000 -7.87500000 -9.41589686 -3.15767473 12.53817641 -11.64834872 1.94209172 4.59812361 2.97692015 0.00000000 0.00000000 0.00000000 0.41073914 1.51240987 0.00000000 -0.97705744 0.00000000 -3.63397278 0.00000000 2.38400000 329.00000000 24_1P222.PDB 8.77194000 -15.26905005 -3.68750000 -5.76250000 -9.17039486 -2.72203208 11.79320905 -11.62497348 1.08708589 4.81155831 3.23115509 0.00000000 0.00000000 0.00000000 0.29432214 1.57909164 0.00000000 -0.28890729 0.00000000 -3.23007282 0.00000000 2.38400000 329.00000000 25_1P222.PDB 8.93913000 -16.15151851 -4.57500000 -8.46250000 -10.95960350 -2.59964504 15.34669595 -13.02341155 1.63893843 5.86767969 3.90300323 0.00000000 0.00000000 0.00000000 0.44295787 1.57179570 0.00000000 -0.70517974 0.00000000 -3.02545386 0.00000000 2.38400000 329.00000000 26_1P222.PDB 7.90242000 -12.56465580 -3.68750000 -4.40000000 -10.65702965 -2.35793250 13.51583958 -12.95864882 1.82165377 4.89894693 4.08076568 0.00000000 0.00000000 0.00000000 0.29641216 1.52707813 0.00000000 -0.49920792 0.00000000 -2.61795503 0.00000000 2.38400000 329.00000000 27_1P222.PDB 7.24800000 -15.21807919 -4.57500000 -6.68750000 -10.47270327 -2.32658833 13.95399662 -12.74526229 1.61965922 5.61939331 3.33150763 0.00000000 0.00000000 0.00000000 0.29958104 1.54382643 0.00000000 -0.62248831 0.00000000 -2.61267482 0.00000000 2.38400000 329.00000000 28_1P222.PDB 9.35683000 -19.24318412 -4.53750000 -11.97500000 -10.18704618 -3.14396138 14.68050535 -12.22660926 1.86548855 6.90293087 3.69969798 0.00000000 0.00000000 0.00000000 0.47037542 1.53309858 0.00000000 -1.07595528 0.00000000 -3.71611019 0.00000000 2.38400000 329.00000000 29_1P222.PDB 8.32354000 -15.70052667 -4.53750000 -6.68750000 -9.78772795 -3.04256944 13.38760003 -12.08675067 1.08195086 5.77527682 3.48160123 0.00000000 0.00000000 0.00000000 0.42804405 1.58622855 0.00000000 -0.36806530 0.00000000 -3.34488630 0.00000000 2.38400000 329.00000000 30_1P222.PDB 9.52518000 -18.14371270 -3.68750000 -9.68750000 -9.98984173 -3.10553679 13.80856049 -12.08107058 1.62929924 5.50957135 3.41062479 0.00000000 0.00000000 0.00000000 0.35559487 1.52919554 0.00000000 -0.73791483 0.00000000 -3.56799950 0.00000000 2.38400000 329.00000000