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_1FMO2.PDB 10.88410000 -35.23102395 -8.27500000 -12.57500000 -25.59951944 -14.31921386 38.08177988 -31.13191799 2.50583414 11.50913544 7.91778112 0.00000000 0.00000000 0.00000000 3.03406804 5.07325471 0.02400732 -0.53648672 0.00000000 -5.86649188 0.00000000 2.38400000 358.00000000 2_1FMO2.PDB 10.96480000 -38.68473118 -10.65000000 -21.12500000 -26.51396592 -12.90342540 40.76230383 -31.92303092 3.13940001 13.30176333 9.68425692 0.00000000 0.00000000 0.00000000 3.13954711 5.54538639 0.01908433 -0.60681478 0.00000000 -5.00884968 0.00000000 2.38400000 358.00000000 3_1FMO2.PDB 13.01040000 -37.66208773 -8.87500000 -20.42500000 -25.92784772 -13.23994216 40.11305913 -30.98067091 3.09042941 12.04525893 8.57319241 0.00000000 0.00000000 0.00000000 3.95126515 5.44744792 0.03054724 -0.50161680 0.00000000 -5.51576240 0.00000000 2.38400000 358.00000000 4_1FMO2.PDB 10.76700000 -37.38749368 -8.66250000 -14.51250000 -25.24008982 -13.73106153 36.92037351 -30.91626412 2.24296714 12.75018386 8.14554129 0.00000000 0.00000000 0.00000000 2.93889258 5.38076384 0.03190294 -0.82416754 0.00000000 -6.53077197 0.00000000 2.38400000 358.00000000 5_1FMO2.PDB 12.71920000 -37.60311964 -8.66250000 -19.57500000 -26.43794246 -14.55898282 40.16502110 -31.63826721 4.05546447 13.56342643 8.11641308 0.00000000 0.00000000 0.00000000 3.69586558 5.03318806 0.01491606 -0.32316123 0.00000000 -6.01837264 0.00000000 2.38400000 358.00000000 6_1FMO2.PDB 11.63890000 -38.34042729 -7.77500000 -18.83750000 -26.56475069 -14.12894723 39.88187293 -31.70121227 2.47431055 13.92353096 8.31421447 0.00000000 0.00000000 0.00000000 3.01355594 4.78238156 0.02148145 -0.70230749 0.00000000 -6.25967592 0.00000000 2.38400000 358.00000000 7_1FMO2.PDB 10.03170000 -37.12339015 -7.81250000 -14.91250000 -25.70777318 -15.04578317 36.72529111 -31.53820308 4.19108526 12.91653607 8.06579006 0.00000000 0.00000000 0.00000000 3.04882907 5.15176712 0.02401963 -0.55930848 0.00000000 -6.51887343 0.00000000 2.38400000 358.00000000 8_1FMO2.PDB 12.71590000 -36.40471227 -7.81250000 -13.10000000 -25.42949580 -16.72522445 37.51395999 -30.94399007 3.74842009 12.57352405 8.36756500 0.00000000 0.00000000 0.00000000 3.33352181 5.12893437 0.03928869 -0.54415953 0.00000000 -7.42562204 0.00000000 2.38400000 358.00000000 9_1FMO2.PDB 11.38030000 -41.88974240 -8.70000000 -17.95000000 -26.51648440 -16.44487897 38.94502200 -31.83977327 2.49002041 14.18843696 8.33288871 0.00000000 0.00000000 0.00000000 3.13329167 5.14873512 0.03457114 -0.89268321 0.00000000 -6.67015343 0.00000000 2.38400000 358.00000000 10_1FMO2.PDB 14.07150000 -39.18118045 -9.55000000 -21.98750000 -26.45203544 -15.32460887 41.92227219 -31.29498654 3.42124118 14.21144331 8.89600357 0.00000000 0.00000000 0.00000000 3.79303827 5.06739027 0.01225375 -1.15380085 0.00000000 -5.67450103 0.00000000 2.38400000 358.00000000 11_1FMO2.PDB 11.08140000 -39.36969193 -10.40000000 -17.06250000 -25.18974362 -15.22091023 38.66074716 -30.60090044 3.57984481 12.62050573 8.95020386 0.00000000 0.00000000 0.00000000 3.11853374 5.08002121 0.02834480 -1.14578490 0.00000000 -6.70803282 0.00000000 2.38400000 358.00000000 12_1FMO2.PDB 12.79510000 -37.70160257 -7.17500000 -12.83750000 -24.75750031 -15.00635838 34.93054567 -30.44713732 2.85019289 12.26216233 8.21024232 0.00000000 0.00000000 0.00000000 1.93994238 4.90613722 0.03614715 -0.64626086 0.00000000 -7.06107845 0.00000000 2.38400000 358.00000000 13_1FMO2.PDB 12.53610000 -36.97607704 -8.95000000 -14.02500000 -26.26536491 -14.82611337 39.23742761 -31.65087254 2.74590098 11.93816847 7.33416318 0.00000000 0.00000000 0.00000000 3.97945467 5.34257523 0.02064629 -0.55207581 0.00000000 -5.96241162 0.00000000 2.38400000 358.00000000 14_1FMO2.PDB 11.92810000 -38.35465190 -9.58750000 -15.28750000 -26.80038909 -15.17545980 39.84315616 -32.14674025 1.84833033 13.81326488 8.39701505 0.00000000 0.00000000 0.00000000 3.52428567 5.37168621 0.02449600 -0.67759437 0.00000000 -6.13001648 0.00000000 2.38400000 358.00000000 15_1FMO2.PDB 12.31600000 -38.68923252 -7.81250000 -15.91250000 -25.48009785 -15.60444069 37.20810218 -31.19665973 3.60226422 13.19823356 8.64256626 0.00000000 0.00000000 0.00000000 2.60635593 4.96323115 0.03864850 -0.79458882 0.00000000 -7.18461606 0.00000000 2.38400000 358.00000000 16_1FMO2.PDB 10.59710000 -31.30291429 -9.55000000 -20.57500000 -26.48674094 -12.35498001 41.54787039 -31.13838111 6.85522324 13.77005746 8.67611226 0.00000000 0.00000000 0.00000000 3.54657595 4.89477997 0.00764130 -0.65327130 0.00000000 -4.94802153 0.00000000 2.38400000 358.00000000 17_1FMO2.PDB 11.98020000 -37.19078844 -12.17500000 -21.42500000 -26.73209611 -11.54434238 42.14937903 -31.25666170 3.44194650 13.74232986 9.36993344 0.00000000 0.00000000 0.00000000 3.80683387 4.69808485 0.02334857 -1.46537124 0.00000000 -5.12608828 0.00000000 2.38400000 358.00000000 18_1FMO2.PDB 10.40590000 -38.25370419 -9.80000000 -21.38750000 -26.45383605 -12.25739146 40.64021177 -31.61334416 1.87288725 13.60742240 9.31372536 0.00000000 0.00000000 0.00000000 3.49690153 5.28269156 0.01867868 -0.44777008 0.00000000 -5.24368943 0.00000000 2.38400000 358.00000000 19_1FMO2.PDB 13.33080000 -35.20447518 -8.91250000 -14.23750000 -26.25302945 -14.81355105 38.94824897 -31.69483518 3.55347396 13.31354665 8.17288106 0.00000000 0.00000000 0.00000000 3.39614463 4.72409942 0.03471829 -0.37303659 0.00000000 -6.33903647 0.00000000 2.38400000 358.00000000 20_1FMO2.PDB 12.80760000 -32.18691409 -8.91250000 -15.87500000 -26.07002365 -12.94899122 40.02372704 -30.89660374 3.80461821 13.57392202 8.21127573 0.00000000 0.00000000 0.00000000 2.91476782 4.50664137 0.01983705 -0.25240550 0.00000000 -5.77953785 0.00000000 2.38400000 358.00000000 21_1FMO2.PDB 11.19710000 -36.83705000 -7.81250000 -15.17500000 -25.27963818 -15.41245303 37.76166574 -30.72608330 2.62012513 12.90631332 8.24968571 0.00000000 0.00000000 0.00000000 2.82667492 5.04266104 0.01716089 -0.56153215 0.00000000 -6.25146906 0.00000000 2.38400000 358.00000000 22_1FMO2.PDB 12.90890000 -36.98985521 -8.91250000 -17.23750000 -26.49280480 -15.48864802 39.79395602 -31.79707182 3.98850505 13.75876863 8.66432992 0.00000000 0.00000000 0.00000000 3.67052251 5.09351858 0.02027438 -0.90281299 0.00000000 -6.05487409 0.00000000 2.38400000 358.00000000 23_1FMO2.PDB 12.44850000 -37.38356181 -8.91250000 -19.10000000 -26.91032091 -13.96181340 41.11886802 -31.97841690 2.38328740 13.71331470 8.75543315 0.00000000 0.00000000 0.00000000 3.70067098 5.20498888 0.02330742 -0.38186841 0.00000000 -5.83352386 0.00000000 2.38400000 358.00000000 24_1FMO2.PDB 12.33560000 -34.98660440 -7.17500000 -14.38750000 -24.91443508 -14.76688209 36.36278379 -30.67770034 4.13007162 12.57547881 8.34201889 0.00000000 0.00000000 0.00000000 3.16058689 4.95099325 0.03338915 -0.88166027 0.00000000 -6.78775577 0.00000000 2.38400000 358.00000000 25_1FMO2.PDB 12.79850000 -36.95367435 -7.13750000 -16.62500000 -25.76899531 -15.31665046 38.97855960 -31.38333298 3.41430474 12.55271486 8.04581524 0.00000000 0.00000000 0.00000000 3.78462843 4.90601476 0.02933411 -1.09626930 0.00000000 -6.43128328 0.00000000 2.38400000 358.00000000 26_1FMO2.PDB 11.53540000 -35.56385067 -9.12500000 -21.30000000 -25.22695883 -12.71985209 40.19726496 -29.74135344 2.41998669 12.98857571 8.86965936 0.00000000 0.00000000 0.00000000 3.60184993 5.11695722 0.01130955 -0.46665472 0.00000000 -5.07267780 0.00000000 2.38400000 358.00000000 27_1FMO2.PDB 11.43940000 -36.48326308 -12.17500000 -20.67500000 -26.14829109 -12.17920908 41.83486456 -30.66832537 2.67234469 13.70614233 9.14842402 0.00000000 0.00000000 0.00000000 3.64266392 4.69211233 0.01352956 -0.69295591 0.00000000 -4.96245071 0.00000000 2.38400000 358.00000000 28_1FMO2.PDB 12.81210000 -36.71232142 -7.81250000 -14.55000000 -25.55326906 -16.65210318 37.92340427 -30.67072161 2.67747128 13.53887450 9.17110065 0.00000000 0.00000000 0.00000000 2.94983464 5.17310397 0.03569756 -0.48672714 0.00000000 -7.28338333 0.00000000 2.38400000 358.00000000 29_1FMO2.PDB 12.39710000 -39.85750931 -8.91250000 -19.93750000 -26.64573321 -15.15253439 40.45781016 -31.75469524 2.76989884 14.30822009 9.33800710 0.00000000 0.00000000 0.00000000 3.16273069 4.98570929 0.02653693 -0.72097858 0.00000000 -6.79677170 0.00000000 2.38400000 358.00000000 30_1FMO2.PDB 12.50830000 -39.98030319 -8.02500000 -19.77500000 -26.48349049 -14.27877597 39.16311354 -31.96026905 2.54470262 13.81014315 9.26210350 0.00000000 0.00000000 0.00000000 3.03782358 4.80060466 0.03125895 -1.12272153 0.00000000 -6.18419149 0.00000000 2.38400000 358.00000000