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_1GAG2.PDB -21.76582243 -257.55000000 -125.20000000 -374.45628429 -26.29266292 492.49737817 -450.42733140 24.83162443 207.21834721 473.11897211 0.00000000 0.00000000 1.12405600 21.55517831 47.66490360 -1.51742989 -1.62105062 0.00000000 -1.00654658 -4.04007297 0.00000000 318.00000000 2_1GAG2.PDB -20.70433597 -256.91250000 -124.26250000 -374.82130464 -26.75489757 493.46176320 -450.93510959 24.20626540 207.70837349 472.40712492 0.00000000 0.00000000 1.12405600 22.00584843 47.85162503 -1.52424602 -1.50724352 0.00000000 -0.85989312 -4.04007297 0.00000000 318.00000000 3_1GAG2.PDB -21.08881146 -257.55000000 -123.16250000 -374.68529293 -26.83735280 493.15240105 -451.00124785 24.56633351 207.37999870 473.04837055 0.00000000 0.00000000 1.12405600 21.61038229 47.76615378 -1.51664566 -1.61837497 0.00000000 -1.55886639 -4.04007297 0.00000000 318.00000000 4_1GAG2.PDB -21.59040913 -257.55000000 -123.12500000 -374.77289810 -26.22065161 492.42680710 -451.01930161 24.36653872 206.79599411 473.26634300 0.00000000 0.00000000 1.12405600 21.46829516 47.74409728 -1.51091934 -1.57135866 0.00000000 -1.22824093 -4.04007297 0.00000000 318.00000000 5_1GAG2.PDB -20.78976980 -256.91250000 -124.26250000 -373.92931713 -26.08994847 491.97807443 -449.70014843 24.41995623 206.82642257 472.29087553 0.00000000 0.00000000 1.12405600 21.76187775 47.73561502 -1.51533084 -1.62791882 0.00000000 -1.11329565 -4.04007297 0.00000000 318.00000000 6_1GAG2.PDB -20.43748333 -257.55000000 -121.01250000 -375.85423995 -26.55209334 493.40236094 -452.25825710 24.02568186 206.85496154 473.30273176 0.00000000 0.00000000 1.12405600 22.22347747 47.91660969 -1.51450161 -1.45305044 0.00000000 -1.13603748 -4.04007297 0.00000000 318.00000000 7_1GAG2.PDB -21.11879123 -257.55000000 -124.52500000 -373.90142936 -26.43984482 491.40067699 -450.21510061 24.87557243 206.89640282 473.23555985 0.00000000 0.00000000 1.12405600 21.62988884 47.63160951 -1.50052338 -1.50740987 0.00000000 -0.60156715 -4.04007297 0.00000000 318.00000000 8_1GAG2.PDB -21.45419540 -256.91250000 -125.15000000 -374.48487155 -25.91437759 492.52731530 -450.67179340 24.24210165 207.43105094 472.66203698 0.00000000 0.00000000 1.12405600 21.76298119 47.63301522 -1.52109807 -1.54508743 0.00000000 -0.96393645 -4.04007297 0.00000000 318.00000000 9_1GAG2.PDB -20.32950312 -256.27500000 -124.51250000 -374.60222642 -25.96504695 493.16181018 -450.80726107 24.25676577 207.06570446 472.52310884 0.00000000 0.00000000 1.12405600 21.83286015 47.63529718 -1.51901653 -1.59725038 0.00000000 -0.97543418 -4.04007297 0.00000000 318.00000000 10_1GAG2.PDB -20.41790964 -257.55000000 -123.16250000 -374.75059731 -27.42948776 494.03296841 -450.45268679 24.49312481 207.25972975 472.47704599 0.00000000 0.00000000 1.12405600 21.83235350 48.23584483 -1.51564654 -1.61188177 0.00000000 -1.12431496 -4.04007297 0.00000000 318.00000000 11_1GAG2.PDB -19.26226957 -257.55000000 -120.63750000 -374.21855598 -26.08595779 491.68930337 -450.56841397 24.41206963 205.75739435 473.00935659 0.00000000 0.00000000 1.12405600 21.50103223 47.76086423 -1.50048779 -1.55998061 0.00000000 -0.59451263 -4.04007297 0.00000000 318.00000000 12_1GAG2.PDB -21.62022340 -256.91250000 -124.26250000 -375.32478939 -27.28006783 494.54309732 -451.39768405 24.45590315 207.65739648 472.69734317 0.00000000 0.00000000 1.12405600 21.46722755 47.77841799 -1.51538397 -1.70097416 0.00000000 -1.13127470 -4.04007297 0.00000000 318.00000000 13_1GAG2.PDB -19.33857350 -256.91250000 -123.41250000 -375.41235818 -26.91238593 494.88753943 -451.30215524 24.17606445 207.53696780 472.69411731 0.00000000 0.00000000 1.12405600 22.48322942 47.82101095 -1.51678853 -1.70185631 0.00000000 -1.02993076 -4.04007297 0.00000000 318.00000000 14_1GAG2.PDB -19.59502226 -256.91250000 -120.71250000 -374.67683519 -27.47980848 493.64416282 -450.75760344 24.35641670 206.25538004 472.60103704 0.00000000 0.00000000 1.12405600 21.89225412 47.84682966 -1.51327282 -1.45305921 0.00000000 -1.92267687 -4.04007297 0.00000000 318.00000000 15_1GAG2.PDB -20.55678227 -256.91250000 -124.26250000 -374.08465978 -25.76759788 491.85937212 -450.16758444 24.18611608 207.18767891 472.78745376 0.00000000 0.00000000 1.12405600 21.51496691 47.61021651 -1.52361806 -1.56541140 0.00000000 -0.89248152 -4.04007297 0.00000000 318.00000000 16_1GAG2.PDB -22.34002598 -257.55000000 -123.76250000 -375.00142235 -27.30945842 493.92105701 -451.46223034 24.52089566 207.68939431 472.69922303 0.00000000 0.00000000 1.12405600 21.89159646 48.14106788 -1.51809114 -1.75970850 0.00000000 -1.78276474 -4.04007297 0.00000000 318.00000000 17_1GAG2.PDB -20.88770990 -256.91250000 -123.88750000 -375.14510100 -26.95701444 493.54873790 -451.27936566 24.59014531 207.79412052 472.69479782 0.00000000 0.00000000 1.12405600 21.51630494 47.77153609 -1.52137941 -1.47813482 0.00000000 -0.93480408 -4.04007297 0.00000000 318.00000000 18_1GAG2.PDB -20.20539376 -257.55000000 -122.78750000 -374.26115435 -26.28292777 492.16582130 -450.73213524 24.47168473 207.10276193 473.14309688 0.00000000 0.00000000 1.12405600 21.75293564 47.78454643 -1.49963198 -1.62239341 0.00000000 -1.18993451 -4.04007297 0.00000000 318.00000000 19_1GAG2.PDB -19.91663463 -257.55000000 -124.90000000 -374.88697093 -26.19100464 493.11587717 -450.97089789 24.27569083 207.07200965 474.29135502 0.00000000 0.00000000 1.12405600 22.97478171 47.78289475 -1.51468735 -1.54897727 0.00000000 -1.16779397 -4.04007297 0.00000000 318.00000000 20_1GAG2.PDB -20.98760621 -256.91250000 -123.37500000 -374.49213064 -26.18825951 492.52656027 -450.50140127 24.33299763 206.71739068 472.48777792 0.00000000 0.00000000 1.12405600 21.43099986 47.85737178 -1.51265451 -1.42252580 0.00000000 -1.16284387 -4.04007297 0.00000000 318.00000000 21_1GAG2.PDB -21.95562774 -257.55000000 -123.50000000 -374.94267729 -27.82633698 493.94051138 -451.44692692 24.49006650 207.65773313 472.82532618 0.00000000 0.00000000 1.12405600 21.88326475 47.71411279 -1.51367321 -1.57626319 0.00000000 -1.48063511 -4.04007297 0.00000000 318.00000000 22_1GAG2.PDB -20.75817905 -256.27500000 -122.18750000 -375.10610025 -27.31002728 493.84147938 -451.67680998 24.32612043 207.38252519 472.54258935 0.00000000 0.00000000 1.12405600 21.41264439 47.76924821 -1.51300918 -1.61141952 0.00000000 -1.66765460 -4.04007297 0.00000000 318.00000000 23_1GAG2.PDB -21.25813892 -257.80000000 -127.36250000 -374.27288783 -25.95638453 492.91656176 -450.43760306 24.13287770 209.05815404 473.62971757 0.00000000 0.00000000 1.12405600 21.92699989 47.64696834 -1.51732270 -1.52026376 0.00000000 -1.13947103 -4.04007297 0.00000000 318.00000000 24_1GAG2.PDB -21.47041855 -256.91250000 -123.37500000 -374.98700718 -26.12494318 492.59083061 -451.46570993 24.39205643 207.09334932 472.85949648 0.00000000 0.00000000 1.12405600 21.49730808 47.74161775 -1.51343144 -1.48303114 0.00000000 -1.12581962 -4.04007297 0.00000000 318.00000000 25_1GAG2.PDB -20.61084784 -256.27500000 -122.73750000 -375.16675920 -26.13399586 492.72791967 -451.67178303 24.59140162 206.78179663 472.77810267 0.00000000 0.00000000 1.12405600 21.46570962 47.76402500 -1.51466734 -1.41751035 0.00000000 -1.12254531 -4.04007297 0.00000000 318.00000000 26_1GAG2.PDB -17.43725807 -257.55000000 -123.16250000 -375.67342582 -26.77344262 494.18681879 -452.17416377 24.72123536 207.32408185 474.24186887 0.00000000 0.00000000 1.12405600 24.47733361 47.98253699 -1.52169791 -1.65171838 0.00000000 -0.96563111 -4.04007297 0.00000000 318.00000000 27_1GAG2.PDB -15.07494902 -256.91250000 -123.26250000 -375.12865811 -27.13683890 492.50370642 -452.01531132 29.94790653 207.04006288 473.16171876 0.00000000 0.00000000 1.12405600 23.22648710 47.82811154 -1.49838428 -1.40245334 0.00000000 -0.68216779 -4.04007297 0.00000000 318.00000000 28_1GAG2.PDB -12.54901130 -257.55000000 -122.71250000 -373.74422585 -27.30485672 491.61683367 -450.01367695 32.48504987 205.72663687 472.59518778 0.00000000 0.00000000 1.12405600 22.84514648 47.80596435 -1.50265446 -1.50903142 0.00000000 -0.56490360 -4.04007297 0.00000000 318.00000000 29_1GAG2.PDB -20.12489786 -257.80000000 -125.41250000 -375.50285469 -27.18293521 495.51592415 -451.60100363 24.78744310 208.91628345 473.77804043 0.00000000 0.00000000 1.12405600 21.67493470 47.79676606 -1.50831289 -1.50695728 0.00000000 -1.36694300 -4.04007297 0.00000000 318.00000000 30_1GAG2.PDB -18.99819973 -257.55000000 -121.38750000 -375.47282440 -27.09175843 494.63852461 -451.41192098 24.81575494 206.81665540 472.76218561 0.00000000 0.00000000 1.12405600 21.89992867 48.31018987 -1.51497981 -1.47209093 0.00000000 -1.11415742 -4.04007297 0.00000000 318.00000000