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_1IR32.PDB 3.17288000 -16.82395865 -3.78750000 -3.88750000 -12.61371952 -4.32654393 16.46574812 -17.51687799 0.47505035 4.73654501 4.96560369 0.00000000 0.00000000 0.00000000 0.44141544 0.27845308 0.00688801 0.47031868 0.00000000 -2.25338651 0.00000000 2.38400000 311.00000000 2_1IR32.PDB 3.07519000 -16.13108431 -3.78750000 -4.22500000 -12.33085295 -4.27633447 16.27811874 -17.10158882 0.82973652 4.70019656 5.15800324 0.00000000 0.00000000 0.00000000 0.42661445 0.25706198 0.00765176 0.42482434 0.00000000 -2.23495368 0.00000000 2.38400000 311.00000000 3_1IR32.PDB 2.93462000 -17.98039972 -3.78750000 -3.88750000 -12.69427912 -4.58437450 16.34637217 -17.47197027 0.43007460 4.78889427 4.28830779 0.00000000 0.00000000 0.00000000 0.45584022 0.25872853 0.00735814 0.51782556 0.00000000 -2.38944860 0.00000000 2.38400000 311.00000000 4_1IR32.PDB 2.98188000 -17.21392669 -3.78750000 -3.51250000 -12.33483503 -4.31491980 16.14268594 -17.06767178 0.74880258 4.19682156 4.07110046 0.00000000 0.00000000 0.00000000 0.42407531 0.25231457 0.00761254 0.45218551 0.00000000 -2.23978398 0.00000000 2.38400000 311.00000000 5_1IR32.PDB 2.98462000 -17.54492897 -3.78750000 -5.28750000 -12.09127778 -4.25100745 16.30304575 -16.07787938 0.47354252 4.17863364 4.93000325 0.00000000 0.00000000 0.00000000 0.37318693 0.25201327 -0.00472646 -0.13402972 0.00000000 -2.16942028 0.00000000 2.38400000 311.00000000 6_1IR32.PDB 3.18547000 -16.59375978 -3.78750000 -0.37500000 -12.56022325 -4.61108496 15.06495755 -18.41437143 0.32126742 4.27533785 4.95658926 0.00000000 0.00000000 0.00000000 0.47549093 0.28778001 0.00668885 0.45413699 0.00000000 -2.40004901 0.00000000 2.38400000 311.00000000 7_1IR32.PDB 3.01516000 -17.16761382 -3.78750000 -0.37500000 -12.46157243 -4.36275717 14.86474024 -18.37338724 0.79987821 4.09449248 4.14402712 0.00000000 0.00000000 0.00000000 0.42464913 0.25706085 0.00611040 0.17429803 0.00000000 -2.31559258 0.00000000 2.38400000 311.00000000 8_1IR32.PDB 3.06069000 -16.73653903 -3.78750000 -0.71250000 -12.71826663 -4.22543696 14.99748217 -18.49846976 0.70996791 4.40460095 4.23067377 0.00000000 0.00000000 0.00000000 0.46294813 0.26806078 0.00766634 0.57913993 0.00000000 -2.18684488 0.00000000 2.38400000 311.00000000 9_1IR32.PDB 3.21155000 -17.24136308 -3.78750000 -3.51250000 -12.65749480 -4.45952250 16.80091579 -17.42913487 0.49314856 4.47264082 4.88162997 0.00000000 0.00000000 0.00000000 0.53058493 0.27850475 0.00694189 -0.26480039 0.00000000 -2.31627248 0.00000000 2.38400000 311.00000000 10_1IR32.PDB 2.93003000 -17.85485287 -3.78750000 -3.88750000 -12.41430844 -4.54243740 16.17985071 -17.24632169 0.69616007 4.55755831 4.09456031 0.00000000 0.00000000 0.00000000 0.48529284 0.25711175 0.00671696 0.36803373 0.00000000 -2.36495827 0.00000000 2.38400000 311.00000000 11_1IR32.PDB 3.91152000 -19.15701560 -3.78750000 -5.88750000 -12.46804555 -4.25910153 16.21346804 -17.14800396 0.61714302 4.80033571 4.17748069 0.00000000 0.00000000 0.00000000 0.51115020 0.25843158 0.00798292 0.32541074 0.00000000 -2.25983588 0.00000000 2.38400000 311.00000000 12_1IR32.PDB 3.25354000 -18.19311486 -3.97500000 -4.03750000 -12.72554100 -5.10272807 16.93226457 -17.42666090 0.41302452 4.78735459 4.33968733 0.00000000 0.00000000 0.00000000 0.56735863 0.29003638 0.01094054 0.47761398 0.00000000 -2.45392904 0.00000000 2.38400000 311.00000000 13_1IR32.PDB 2.96685000 -15.94198803 -3.78750000 -2.15000000 -11.94332613 -4.30595078 15.07362006 -16.87811124 0.58889941 4.55009107 4.29173361 0.00000000 0.00000000 0.00000000 0.39316445 0.25050409 -0.00245710 0.44983015 0.00000000 -2.22198153 0.00000000 2.38400000 311.00000000 14_1IR32.PDB 2.96389000 -17.08788402 -3.78750000 -0.37500000 -12.34857469 -4.52600022 14.68730890 -18.14776350 0.78332932 3.96817623 4.03332174 0.00000000 0.00000000 0.00000000 0.43695796 0.25236646 0.00596595 0.53688415 0.00000000 -2.35498986 0.00000000 2.38400000 311.00000000 15_1IR32.PDB 3.17343000 -16.94540763 -3.78750000 -3.88750000 -12.61059847 -4.58804773 16.89937267 -17.37313890 0.51134249 4.71828705 4.96119969 0.00000000 0.00000000 0.00000000 0.53836150 0.27867551 0.00710182 0.06678614 0.00000000 -2.40107390 0.00000000 2.38400000 311.00000000 16_1IR32.PDB 2.88961000 -17.21786979 -3.78750000 -3.51250000 -12.58513596 -4.30744743 16.32294673 -17.35905489 0.60814231 4.46377273 4.23294841 0.00000000 0.00000000 0.00000000 0.47180335 0.25710617 0.00964700 0.53881534 0.00000000 -2.31430737 0.00000000 2.38400000 311.00000000 17_1IR32.PDB 2.87532000 -17.49051728 -3.78750000 -3.51250000 -12.49638983 -4.58273336 16.29008029 -17.32234599 0.79237199 4.45624320 4.10549465 0.00000000 0.00000000 0.00000000 0.43206327 0.25707987 0.00601613 0.54151707 0.00000000 -2.41283471 0.00000000 2.38400000 311.00000000 18_1IR32.PDB 3.26868000 -16.58002122 -3.78750000 -3.88750000 -12.30198298 -4.46095432 16.39654391 -16.86468618 0.35844752 4.50348466 4.97870182 0.00000000 0.00000000 0.00000000 0.38829673 0.28689479 0.01035615 0.41285148 0.00000000 -2.32608000 0.00000000 2.38400000 311.00000000 19_1IR32.PDB 2.91819000 -17.80559199 -3.78750000 -3.88750000 -12.68303296 -4.41257640 16.20439029 -17.33377955 0.41674301 4.85192294 4.29882738 0.00000000 0.00000000 0.00000000 0.50129708 0.25831989 0.01015538 0.38593945 0.00000000 -2.37047861 0.00000000 2.38400000 311.00000000 20_1IR32.PDB 2.95248000 -17.18966280 -3.78750000 -4.22500000 -12.61331297 -4.15078558 16.44487549 -17.31946323 0.59726408 4.83242461 4.21766786 0.00000000 0.00000000 0.00000000 0.42947929 0.26758793 0.00848496 0.51430876 0.00000000 -2.13810607 0.00000000 2.38400000 311.00000000 21_1IR32.PDB 2.90262000 -17.60033629 -3.78750000 -3.88750000 -12.59797864 -4.47236313 16.57631826 -17.32036435 0.61270148 4.57366195 4.11499344 0.00000000 0.00000000 0.00000000 0.45471668 0.25703224 0.00951469 0.50223365 0.00000000 -2.37877032 0.00000000 2.38400000 311.00000000 22_1IR32.PDB 3.10312000 -18.15239705 -3.78750000 -4.52500000 -12.32682286 -4.49271252 16.61400960 -16.82532749 0.77345103 4.23960993 3.48799042 0.00000000 0.00000000 0.00000000 0.43237973 0.25441351 0.00393588 0.58035051 0.00000000 -2.32676127 0.00000000 2.38400000 311.00000000 23_1IR32.PDB 3.00850000 -17.59116454 -3.78750000 -6.00000000 -12.09314177 -4.30046908 16.39610561 -15.93967114 0.34399395 4.58846687 4.83980202 0.00000000 0.00000000 0.00000000 0.50876580 0.25205025 -0.00552496 0.04451833 0.00000000 -2.18651015 0.00000000 2.38400000 311.00000000 24_1IR32.PDB 3.24078000 -16.62795297 -3.78750000 -3.51250000 -12.03939951 -4.30259204 15.87532265 -17.28130779 0.50843756 3.99914271 4.87941173 0.00000000 0.00000000 0.00000000 0.37391054 0.27376392 0.00954782 0.40846483 0.00000000 -1.75889146 0.00000000 2.38400000 311.00000000 25_1IR32.PDB 3.05711000 -17.17331865 -3.78750000 -4.22500000 -12.56720357 -4.11710695 16.19260317 -17.26338260 0.59504705 4.96023630 4.21139022 0.00000000 0.00000000 0.00000000 0.50451311 0.25841867 0.00771328 0.50147416 0.00000000 -2.18610283 0.00000000 2.38400000 311.00000000 26_1IR32.PDB 2.93605000 -17.80318217 -3.78750000 -3.51250000 -12.38135163 -3.82330986 16.10567686 -17.83423911 0.42197315 3.88004369 4.05457999 0.00000000 0.00000000 0.00000000 0.41543295 0.25686714 0.01119345 0.36579515 0.00000000 -1.71897680 0.00000000 2.38400000 311.00000000 27_1IR32.PDB 3.01300000 -18.18283567 -3.78750000 -3.51250000 -12.75394507 -3.76072224 16.13575036 -18.34655021 0.33393090 4.16758399 4.20150709 0.00000000 0.00000000 0.00000000 0.41491691 0.26727833 0.01092139 0.42264927 0.00000000 -1.70887806 0.00000000 2.38400000 311.00000000 28_1IR32.PDB 2.87493000 -17.23647721 -3.78750000 -5.66250000 -12.16132571 -4.47284250 16.40748384 -15.93511309 0.44967894 4.62120425 4.91841430 0.00000000 0.00000000 0.00000000 0.48222190 0.25174015 -0.00389541 0.28459370 0.00000000 -2.37689744 0.00000000 2.38400000 311.00000000 29_1IR32.PDB 2.87987000 -17.33586992 -3.78750000 -4.22500000 -12.43192600 -4.26955699 16.27468336 -17.01567198 0.77634077 4.64966124 4.12124121 0.00000000 0.00000000 0.00000000 0.48723675 0.25186953 0.01050772 0.36095657 0.00000000 -2.28684257 0.00000000 2.38400000 311.00000000 30_1IR32.PDB 2.81195000 -16.79019395 -3.78750000 -5.66250000 -11.92631924 -4.27692942 16.37612905 -15.84543714 0.44600106 5.06268849 4.21693667 0.00000000 0.00000000 0.00000000 0.36120029 0.25143732 -0.00251708 0.45506222 0.00000000 -2.20700886 0.00000000 2.38400000 311.00000000