name total energy Backbone Hbon 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_2C7N2.PDB -2.98558067 -85.15000000 -36.17500000 -113.54454824 -8.78186476 155.72698757 -139.02393123 20.79456349 69.45933711 129.36936904 0.00000000 0.00000000 0.00000000 6.97774774 5.25068788 0.69770029 -0.34601249 0.00000000 -2.98992920 0.00000000 0.00000000 93.00000000 2_2C7N2.PDB -4.89161159 -86.03750000 -35.97500000 -114.87429444 -11.62858847 157.26102077 -140.13610621 21.58842927 70.40160175 129.90146077 0.00000000 0.00000000 0.00000000 7.38163199 5.33328766 0.68538968 -0.42044577 0.00000000 -3.03921094 0.00000000 0.00000000 93.00000000 3_2C7N2.PDB -17.59167348 -85.15000000 -35.80000000 -113.37900726 -8.62020924 155.19607930 -139.07502669 5.64465632 68.88525019 129.50788658 0.00000000 0.00000000 0.00000000 7.78177447 5.00131526 0.71693516 -0.37652935 0.00000000 -2.92348296 0.00000000 0.00000000 93.00000000 4_2C7N2.PDB -3.58355231 -85.18750000 -35.50000000 -113.22455313 -7.83770137 154.65503088 -138.94644335 18.04405628 68.88413326 129.97791848 0.00000000 0.00000000 0.00000000 8.09793042 5.36670594 0.72450246 -0.51900817 0.00000000 -2.75191807 0.00000000 0.00000000 93.00000000 5_2C7N2.PDB -15.86599219 -86.03750000 -37.10000000 -113.64444437 -9.01777300 155.97333002 -139.27972857 8.45961683 69.39429240 129.89366738 0.00000000 0.00000000 0.00000000 7.92281116 5.31624878 0.70401879 -0.35446832 0.00000000 -2.77981452 0.00000000 0.00000000 93.00000000 6_2C7N2.PDB -3.82423183 -85.15000000 -35.87500000 -113.45966158 -11.41568226 156.35744773 -139.22978555 20.48328090 69.91005743 129.52421997 0.00000000 0.00000000 0.00000000 7.79335116 5.20558401 0.69490523 -0.57148525 0.00000000 -2.88587960 0.00000000 0.00000000 93.00000000 7_2C7N2.PDB -20.15267615 -86.92500000 -37.65000000 -115.27901977 -13.02255487 158.89455733 -140.30624058 7.77562087 70.93944216 129.62025077 0.00000000 0.00000000 0.00000000 8.61351035 5.07741681 0.28762013 -0.28461870 0.00000000 -2.81624385 0.00000000 0.00000000 93.00000000 8_2C7N2.PDB -3.90889997 -86.03750000 -36.72500000 -113.01049011 -8.59158475 155.14081800 -138.68539360 18.68386367 69.55720312 130.40650558 0.00000000 0.00000000 0.00000000 7.61184712 5.42719149 0.69030127 -0.34348535 0.00000000 -2.60598493 0.00000000 0.00000000 93.00000000 9_2C7N2.PDB -16.68998280 -86.03750000 -36.38750000 -113.02978156 -8.29136692 155.99985598 -138.44989794 4.55494193 69.59967956 129.89595451 0.00000000 0.00000000 0.00000000 8.21366318 5.19979953 0.27687783 -0.31662572 0.00000000 -2.71828365 0.00000000 0.00000000 93.00000000 10_2C7N2.PDB 1.54838604 -86.00000000 -34.31250000 -113.18139465 -7.84543415 155.57813714 -138.12413755 20.73647126 68.46451548 130.64083482 0.00000000 0.00000000 0.00000000 7.70994324 5.10685063 0.81067495 -0.44003562 0.00000000 -2.48868889 0.00000000 0.00000000 93.00000000 11_2C7N2.PDB -4.54910847 -86.70000000 -36.78750000 -115.24261189 -11.44652244 158.08338873 -139.92442138 20.60885577 70.37679793 130.89693791 0.00000000 0.00000000 0.00000000 7.54810522 5.16408198 0.83850999 -0.32138340 0.00000000 -2.47926491 0.00000000 0.00000000 93.00000000 12_2C7N2.PDB -20.52678455 -87.77500000 -38.50000000 -114.63697307 -11.75481844 158.41095157 -139.28129007 5.25048194 70.17668258 129.88809189 0.00000000 0.00000000 0.00000000 10.03187793 5.24214988 0.69169529 -0.39454517 0.00000000 -2.63393901 0.00000000 0.00000000 93.00000000 13_2C7N2.PDB -2.14723976 -85.15000000 -35.16250000 -113.59225046 -8.81167594 156.01896603 -139.36461343 20.91211347 69.29976474 129.19415154 0.00000000 0.00000000 0.00000000 6.90731988 5.29896455 0.73451275 -0.33063355 0.00000000 -2.80239479 0.00000000 0.00000000 93.00000000 14_2C7N2.PDB -3.10322120 -87.07500000 -37.38750000 -113.87512678 -8.66943732 157.17545128 -139.51973975 20.84679249 71.15884753 129.73284173 0.00000000 0.00000000 0.00000000 7.33127473 5.55266195 0.33687446 -0.35952035 0.00000000 -2.79897921 0.00000000 0.00000000 93.00000000 15_2C7N2.PDB 3.57832995 -85.15000000 -34.75000000 -112.31354720 -6.64503361 154.11165711 -137.96244561 21.22799449 68.08667642 130.90780611 0.00000000 0.00000000 0.00000000 7.49350476 5.31850097 0.72847674 -0.33164454 0.00000000 -1.82511473 0.00000000 0.00000000 93.00000000 16_2C7N2.PDB -9.25086070 -87.77500000 -38.12500000 -115.26911334 -10.59911322 158.68499644 -140.20663939 18.78837318 70.24710787 129.84162936 0.00000000 0.00000000 0.00000000 7.30412249 5.26195598 0.71861482 -0.36202190 0.00000000 -2.49881700 0.00000000 0.00000000 93.00000000 17_2C7N2.PDB -4.32590242 -85.18750000 -35.53750000 -113.14574017 -8.29488371 154.91922169 -138.92704186 17.49311037 69.24439875 129.82439447 0.00000000 0.00000000 0.00000000 7.54379299 5.18030131 0.68616014 -0.35508628 0.00000000 -2.58922881 0.00000000 0.00000000 93.00000000 18_2C7N2.PDB -6.95710279 -88.66250000 -38.12500000 -115.29122930 -12.30528226 159.88820391 -140.45405154 20.94528648 71.40856129 129.90433383 0.00000000 0.00000000 0.00000000 8.49764036 5.58381343 0.32696891 -0.41296700 0.00000000 -2.67706747 0.00000000 0.00000000 93.00000000 19_2C7N2.PDB -9.26681736 -85.18750000 -35.87500000 -113.16637659 -8.86332200 154.81718717 -138.84805713 8.34195698 69.90790293 129.67808588 0.00000000 0.00000000 0.00000000 12.94871127 5.38297410 0.29953140 -0.54187192 0.00000000 -2.77806536 0.00000000 0.00000000 93.00000000 20_2C7N2.PDB -4.90424722 -86.03750000 -36.35000000 -113.01560338 -8.17896615 154.76979999 -138.70265237 18.62896055 68.59763596 130.21862089 0.00000000 0.00000000 0.00000000 7.50918444 5.32244550 0.78467830 -0.40602857 0.00000000 -2.72237690 0.00000000 0.00000000 93.00000000 21_2C7N2.PDB -14.85373658 -86.07500000 -34.31250000 -113.37366261 -8.65745986 155.16171491 -138.14745149 4.17431979 68.52220405 129.56581577 0.00000000 0.00000000 0.00000000 10.72332091 5.30817444 0.72894301 -0.33364274 0.00000000 -2.83033832 0.00000000 0.00000000 93.00000000 22_2C7N2.PDB -0.73010688 -86.03750000 -35.67500000 -113.54404358 -8.94396907 156.18560121 -138.71455246 20.71528673 70.12270396 130.23391937 0.00000000 0.00000000 0.00000000 7.17301922 5.42644471 0.72179444 -0.30943672 0.00000000 -2.65792998 0.00000000 0.00000000 93.00000000 23_2C7N2.PDB -3.12349891 -87.77500000 -36.38750000 -115.58821554 -13.03829371 160.78784217 -139.51704743 22.08365522 70.84914990 130.04676138 0.00000000 0.00000000 0.00000000 7.85257369 5.21616878 0.65056791 -0.26803703 0.00000000 -2.81995547 0.00000000 0.00000000 93.00000000 24_2C7N2.PDB -15.10185841 -85.15000000 -38.21250000 -111.99059314 -10.49921936 155.84935187 -136.75224175 3.75347320 69.40159814 129.66884930 0.00000000 0.00000000 0.00000000 11.82247827 5.41886894 0.24423475 -0.39572204 0.00000000 -2.84156765 0.00000000 0.00000000 93.00000000 25_2C7N2.PDB -20.52500882 -86.92500000 -37.65000000 -115.44286420 -12.50083437 158.92336857 -140.81800939 3.82591984 70.42594791 129.80870304 0.00000000 0.00000000 0.00000000 12.08113176 5.41865647 0.68912324 -0.35945632 0.00000000 -2.58303890 0.00000000 0.00000000 93.00000000 26_2C7N2.PDB -4.81619560 -85.15000000 -37.80000000 -112.96253891 -9.48080441 155.30402668 -138.40887980 21.19758913 68.42602531 129.78886846 0.00000000 0.00000000 0.00000000 6.95291157 5.34095731 0.77185345 -0.33671622 0.00000000 -3.11853084 0.00000000 0.00000000 93.00000000 27_2C7N2.PDB -8.19984861 -87.77500000 -38.16250000 -114.13591862 -11.64645935 158.13631912 -138.96025917 18.21865422 70.15757856 130.24620615 0.00000000 0.00000000 0.00000000 7.71006098 5.18689547 0.68479991 -0.33896267 0.00000000 -2.33436773 0.00000000 0.00000000 93.00000000 28_2C7N2.PDB -1.32701294 -86.03750000 -36.05000000 -113.48313639 -8.15711432 156.37574297 -139.50620311 21.12522170 70.11025615 129.89059187 0.00000000 0.00000000 0.00000000 6.84497188 5.53799782 0.31979901 -0.32243054 0.00000000 -2.43721215 0.00000000 0.00000000 93.00000000 29_2C7N2.PDB -7.65937482 -86.70000000 -37.08750000 -115.67701901 -12.60328680 158.54947546 -140.11150020 18.16672671 70.41254372 130.92955221 0.00000000 0.00000000 0.00000000 8.26389659 5.27289894 0.82456749 -0.39696481 0.00000000 -2.22986619 0.00000000 0.00000000 93.00000000 30_2C7N2.PDB 3.59407373 -85.15000000 -33.46250000 -114.14053269 -8.24981364 155.57140156 -139.63978297 24.25398189 69.32489346 130.35878569 0.00000000 0.00000000 0.00000000 6.58325704 5.19577980 0.79791495 -0.31097237 0.00000000 -2.34255920 0.00000000 0.00000000 93.00000000