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_1XH42.PDB 7.14026000 -37.49460744 -10.25000000 -16.51250000 -23.24773440 -11.14613309 33.16276867 -28.50096383 1.81731075 11.51150339 9.34886234 0.00000000 0.00000000 0.00000000 2.22232294 0.42166252 0.16670740 -1.16866595 0.00000000 -4.89808565 0.00000000 2.38400000 357.00000000 2_1XH42.PDB 6.32895000 -38.49265595 -6.73750000 -15.51250000 -22.52105556 -13.54037683 32.25733157 -27.38914871 1.58462755 10.34878066 7.38369654 0.00000000 0.00000000 0.00000000 1.77182229 0.38977305 0.13859027 -0.37578539 0.00000000 -5.90113835 0.00000000 2.38400000 357.00000000 3_1XH42.PDB 7.06182000 -35.87027227 -9.40000000 -11.41250000 -22.61739562 -13.10965115 31.54222577 -27.70966514 1.78135055 10.30541903 8.06825597 0.00000000 0.00000000 0.00000000 2.70476808 0.43030628 0.17127121 -0.83419870 0.00000000 -5.36015228 0.00000000 2.38400000 357.00000000 4_1XH42.PDB 6.23860000 -35.19738161 -7.87500000 -10.93750000 -21.78185137 -13.21234492 30.85193884 -26.71799905 1.52326843 9.51508224 7.38128648 0.00000000 0.00000000 0.00000000 2.37871961 0.37684580 0.15004839 -0.86153171 0.00000000 -5.61149855 0.00000000 2.38400000 357.00000000 5_1XH42.PDB 7.20182000 -39.56034316 -8.51250000 -17.57500000 -22.90495259 -13.26118473 32.46226104 -27.66372252 1.79579562 12.35548672 7.59309537 0.00000000 0.00000000 0.00000000 2.52103678 0.41261128 0.14824565 -0.75151866 0.00000000 -5.76738585 0.00000000 2.38400000 357.00000000 6_1XH42.PDB 6.88870000 -40.31701783 -7.62500000 -16.57500000 -22.96505615 -12.63814664 32.03457672 -27.96739857 1.53483164 10.84129352 7.55545491 0.00000000 0.00000000 0.00000000 2.00037157 0.43090412 0.12574753 -0.94639433 0.00000000 -5.69229802 0.00000000 2.38400000 357.00000000 7_1XH42.PDB 6.86350000 -41.01216057 -8.51250000 -14.91250000 -22.86281589 -13.40549257 31.65035431 -27.88276078 1.12576019 10.75174159 8.00553570 0.00000000 0.00000000 0.00000000 1.98167774 0.43492051 0.14310287 -1.29110080 0.00000000 -5.80316293 0.00000000 2.38400000 357.00000000 8_1XH42.PDB 6.78350000 -36.87669060 -10.28750000 -15.63750000 -22.95311051 -10.28403845 32.60015390 -28.08791846 1.83787505 9.61790181 9.28822724 0.00000000 0.00000000 0.00000000 2.18084108 0.43108392 0.17169066 -0.52601422 0.00000000 -4.79729870 0.00000000 2.38400000 357.00000000 9_1XH42.PDB 7.50397000 -35.63897710 -7.87500000 -13.01250000 -21.82694023 -11.69785184 30.34269330 -27.28776456 1.56627659 9.24286990 7.64100220 0.00000000 0.00000000 0.00000000 2.23196786 0.34714256 0.14362898 -0.22672084 0.00000000 -4.88063845 0.00000000 2.38400000 357.00000000 10_1XH42.PDB 7.23494000 -35.74687361 -8.51250000 -10.85000000 -22.66226524 -12.97636481 32.05913972 -27.82259103 1.38728362 9.69486576 7.48074019 0.00000000 0.00000000 0.00000000 2.40518706 0.42240969 0.14930323 -0.48332017 0.00000000 -5.61635195 0.00000000 2.38400000 357.00000000 11_1XH42.PDB 7.04122000 -37.26620422 -6.98750000 -13.41250000 -22.68578757 -12.32460993 31.56630323 -28.09823479 1.23363626 10.05926193 7.19953397 0.00000000 0.00000000 0.00000000 2.10844010 0.36932257 0.14104033 -0.69575430 0.00000000 -5.37003344 0.00000000 2.38400000 357.00000000 12_1XH42.PDB 7.66177000 -38.32515202 -7.62500000 -17.53750000 -22.76231259 -12.48016403 32.37968444 -27.67999705 1.75773873 11.86426475 7.46572049 0.00000000 0.00000000 0.00000000 2.17610063 0.43262030 0.14740734 -0.51645435 0.00000000 -5.51464039 0.00000000 2.38400000 357.00000000 13_1XH42.PDB 6.08543000 -38.15308185 -6.98750000 -15.82500000 -22.41542202 -13.11098889 32.39871094 -27.65911959 1.66006355 11.08511281 6.63570908 0.00000000 0.00000000 0.00000000 2.09893448 0.39900898 0.14785103 -0.68075611 0.00000000 -5.50067713 0.00000000 2.38400000 357.00000000 14_1XH42.PDB 5.98393000 -36.00790190 -8.51250000 -11.91250000 -23.07052947 -12.58680183 32.46962718 -28.10746769 1.84030545 9.71566286 8.10655912 0.00000000 0.00000000 0.00000000 2.00038622 0.41418155 0.15624601 -0.77797670 0.00000000 -5.32891306 0.00000000 2.38400000 357.00000000 15_1XH42.PDB 6.73986000 -34.26700368 -8.51250000 -11.48750000 -23.05832450 -12.38820932 31.90067839 -28.40657067 2.91890259 9.48218025 8.98451624 0.00000000 0.00000000 0.00000000 2.05825690 0.41588630 0.15971451 -0.40691849 0.00000000 -5.51122957 0.00000000 2.38400000 357.00000000 16_1XH42.PDB 6.67624000 -39.99699434 -8.51250000 -15.76250000 -22.50452828 -12.92084449 31.18180921 -27.59095331 1.25156769 10.60400186 8.10538161 0.00000000 0.00000000 0.00000000 1.96360496 0.43100185 0.14289359 -0.34292278 0.00000000 -5.61200439 0.00000000 2.38400000 357.00000000 17_1XH42.PDB 6.41523000 -39.26052786 -7.87500000 -16.00000000 -22.41151932 -12.52237049 31.87342099 -27.68542780 1.28771035 10.64196134 7.20324397 0.00000000 0.00000000 0.00000000 2.08631816 0.39223777 0.14674498 -0.49047861 0.00000000 -5.51513143 0.00000000 2.38400000 357.00000000 18_1XH42.PDB 11.32620000 -38.71483120 -8.47500000 -15.20000000 -22.74555225 -12.85774049 32.62934514 -27.73485225 1.97674250 10.23432675 7.48397638 0.00000000 0.00000000 0.00000000 1.97305826 0.44405938 0.12603520 -0.50821844 0.00000000 -5.61695201 0.00000000 2.38400000 357.00000000 19_1XH42.PDB 6.65882000 -42.34579163 -8.51250000 -20.07500000 -23.37856752 -13.11157164 32.99863471 -28.56861103 1.52330186 12.26772697 7.83855957 0.00000000 0.00000000 0.00000000 2.45012264 0.43076696 0.14626476 -0.28444999 0.00000000 -5.63970196 0.00000000 2.38400000 357.00000000 20_1XH42.PDB 6.26932000 -36.21651732 -8.51250000 -12.80000000 -23.00778951 -14.02317776 32.18151041 -28.33294989 3.69999320 10.21579614 8.18986128 0.00000000 0.00000000 0.00000000 1.96044379 0.42349106 0.14543568 -0.59726772 0.00000000 -5.33587294 0.00000000 2.38400000 357.00000000 21_1XH42.PDB 6.86368000 -37.51907967 -8.51250000 -13.70000000 -21.93253456 -12.52683488 31.01813555 -27.09776926 1.47771836 9.35636104 7.78936784 0.00000000 0.00000000 0.00000000 2.12866445 0.42738539 0.14223757 -0.26023898 0.00000000 -5.40168679 0.00000000 2.38400000 357.00000000 22_1XH42.PDB 6.77260000 -36.85561905 -9.61250000 -14.33750000 -23.40991363 -10.91223046 33.03856244 -28.95774446 1.78311898 10.17727115 8.45967613 0.00000000 0.00000000 0.00000000 2.13157172 0.42400240 0.17476153 -0.26525612 0.00000000 -5.12543635 0.00000000 2.38400000 357.00000000 23_1XH42.PDB 6.09934000 -38.21356348 -8.51250000 -15.43750000 -23.12721825 -12.89074241 32.10978306 -28.20667017 2.48994665 11.61593929 7.76749986 0.00000000 0.00000000 0.00000000 1.96222489 0.41207737 0.14674982 -0.65374416 0.00000000 -5.47733204 0.00000000 2.38400000 357.00000000 24_1XH42.PDB 6.47319000 -40.37767723 -8.51250000 -14.47500000 -22.84551437 -14.08251496 32.04376336 -27.74709370 1.21965109 10.52953774 7.74963799 0.00000000 0.00000000 0.00000000 2.02101672 0.42302112 0.14468752 -0.75802388 0.00000000 -5.66532473 0.00000000 2.38400000 357.00000000 25_1XH42.PDB 6.85151000 -39.50079287 -8.51250000 -16.05000000 -22.88860199 -13.30089266 32.08551780 -27.93836263 1.68291234 11.90322522 7.66455553 0.00000000 0.00000000 0.00000000 2.12401782 0.42780599 0.14349441 -0.88387781 0.00000000 -5.53028091 0.00000000 2.38400000 357.00000000 26_1XH42.PDB 6.17174000 -36.63509866 -9.40000000 -14.35000000 -22.24033593 -11.43209611 31.86809071 -26.78988279 1.22038285 9.48837714 8.39556332 0.00000000 0.00000000 0.00000000 2.11810578 0.42761619 0.17353215 -0.28840438 0.00000000 -5.39843140 0.00000000 2.38400000 357.00000000 27_1XH42.PDB 11.54660000 -37.01101333 -7.62500000 -13.83750000 -22.87124839 -12.06638200 32.35161899 -28.18382135 2.06130655 10.42989169 7.60412487 0.00000000 0.00000000 0.00000000 1.73990883 0.42430265 0.11517879 -1.58607258 0.00000000 -5.14301872 0.00000000 2.38400000 357.00000000 28_1XH42.PDB 6.49666000 -36.13895684 -9.40000000 -12.41250000 -22.94865559 -11.33448874 31.24591494 -28.21569796 1.17740014 9.58732379 9.57951172 0.00000000 0.00000000 0.00000000 2.02292662 0.41579013 0.17279480 -0.39183811 0.00000000 -5.22164845 0.00000000 2.38400000 357.00000000 29_1XH42.PDB 6.95241000 -37.55831745 -7.87500000 -13.72500000 -22.23802322 -12.52343762 30.98977823 -27.67172822 1.63469362 10.24780363 7.49304237 0.00000000 0.00000000 0.00000000 2.01599848 0.39541642 0.14363586 -0.78920191 0.00000000 -5.26087866 0.00000000 2.38400000 357.00000000 30_1XH42.PDB 6.23973000 -38.35818570 -7.62500000 -15.61250000 -22.86495404 -13.07507333 32.34270234 -27.82023004 2.00997962 11.09222291 7.58651156 0.00000000 0.00000000 0.00000000 1.86588135 0.40173509 0.12588052 -0.90670237 0.00000000 -5.47690422 0.00000000 2.38400000 357.00000000