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_1GAG2.PDB 4.31380000 -26.35294817 -6.33750000 -7.31250000 -18.67921826 -2.99291779 20.63265088 -26.27896540 0.70852435 5.83422817 8.57898846 0.00000000 0.00000000 0.00000000 1.06743328 0.35489762 -0.02252176 -0.54460351 0.00000000 -1.00654658 0.00000000 2.38400000 318.00000000 2_1GAG2.PDB 4.35913000 -26.52860207 -5.70000000 -6.67500000 -18.72814528 -3.61871335 21.25512673 -26.97677138 0.58856625 5.79120584 7.64009424 0.00000000 0.00000000 0.00000000 1.23021105 0.39997274 -0.03040434 -0.44487872 0.00000000 -0.85989312 0.00000000 2.38400000 318.00000000 3_1GAG2.PDB 4.35763000 -25.99157179 -6.33750000 -5.95000000 -18.82607700 -4.53592366 21.75292593 -26.37775492 0.73910107 6.23255746 8.39219783 0.00000000 0.00000000 0.00000000 1.05060057 0.38517369 -0.02121318 -0.55161950 0.00000000 -1.55886639 0.00000000 2.38400000 318.00000000 4_1GAG2.PDB 4.10466000 -25.56568794 -6.33750000 -5.53750000 -18.37831455 -3.30432176 20.15646526 -26.00024265 0.71882814 5.39379346 8.48934821 0.00000000 0.00000000 0.00000000 0.97440027 0.34039377 -0.01707767 -0.49532572 0.00000000 -1.22824093 0.00000000 2.38400000 318.00000000 5_1GAG2.PDB 4.11341000 -25.65723629 -5.70000000 -6.67500000 -18.60099755 -3.25756523 20.63554821 -26.28337850 0.88662146 5.65662965 8.13478794 0.00000000 0.00000000 0.00000000 1.19755468 0.45015168 -0.02148917 -0.51665214 0.00000000 -1.11329565 0.00000000 2.38400000 318.00000000 6_1GAG2.PDB 4.39496000 -26.36643935 -6.33750000 -3.80000000 -19.54970159 -3.89259495 21.26962980 -28.17073159 0.49709323 5.39054649 8.50048698 0.00000000 0.00000000 0.00000000 1.31988287 0.39302514 -0.01943404 -0.43807910 0.00000000 -1.13603748 0.00000000 2.38400000 318.00000000 7_1GAG2.PDB 4.04012000 -25.54657403 -6.33750000 -6.93750000 -18.00222298 -2.62552366 19.25530333 -26.18241570 0.90070599 5.82248446 8.56392926 0.00000000 0.00000000 0.00000000 1.05596079 0.34806711 -0.00540214 -0.45282623 0.00000000 -0.60156715 0.00000000 2.38400000 318.00000000 8_1GAG2.PDB 4.35170000 -25.28604355 -5.70000000 -8.26250000 -18.06467420 -3.02140471 21.02463413 -25.45729188 0.64554344 6.00744605 7.97119777 0.00000000 0.00000000 0.00000000 1.04642935 0.34473951 -0.02725640 -0.48423065 0.00000000 -0.96393645 0.00000000 2.38400000 318.00000000 9_1GAG2.PDB 4.20563000 -23.62464254 -5.06250000 -7.58750000 -18.58364085 -3.06961744 23.20262672 -26.23197522 0.68470426 5.66876699 7.76372657 0.00000000 0.00000000 0.00000000 1.14004349 0.36173830 -0.02517486 -0.54866801 0.00000000 -0.97543418 0.00000000 2.38400000 318.00000000 10_1GAG2.PDB 4.13594000 -26.52437383 -6.33750000 -5.57500000 -19.05907532 -4.23445562 21.99794977 -27.27366583 0.91128155 5.38230849 8.10384143 0.00000000 0.00000000 0.00000000 1.20808710 0.60340780 -0.02119851 -0.50263194 0.00000000 -1.12431496 0.00000000 2.38400000 318.00000000 11_1GAG2.PDB 3.88370000 -25.31296636 -6.33750000 -3.42500000 -18.41236684 -3.36919614 19.98759654 -27.31841565 0.57729057 4.61755577 8.44713131 0.00000000 0.00000000 0.00000000 0.97937642 0.36307325 -0.00535225 -0.45957346 0.00000000 -0.59451263 0.00000000 2.38400000 318.00000000 12_1GAG2.PDB 4.16176000 -27.19401825 -5.70000000 -6.67500000 -19.34438727 -4.21788131 22.44530913 -27.61939163 0.74766601 5.78742139 8.10503376 0.00000000 0.00000000 0.00000000 1.05656359 0.38682951 -0.02154230 -0.62653493 0.00000000 -1.13127470 0.00000000 2.38400000 318.00000000 13_1GAG2.PDB 4.55045000 -25.48539392 -5.70000000 -5.82500000 -19.36123963 -3.85440460 22.68206517 -27.53608352 0.63099517 5.71496905 7.98063462 0.00000000 0.00000000 0.00000000 1.44354818 0.39542043 -0.02294686 -0.60800073 0.00000000 -1.02993076 0.00000000 2.38400000 318.00000000 14_1GAG2.PDB 4.20651000 -24.35013627 -5.70000000 -3.50000000 -18.40595624 -5.19598661 21.64248112 -25.97272634 0.70638536 5.11787205 7.87196507 0.00000000 0.00000000 0.00000000 1.36531234 0.36607173 -0.01339738 -0.34340878 0.00000000 -1.92267687 0.00000000 2.38400000 318.00000000 15_1GAG2.PDB 4.08105000 -24.81529158 -5.70000000 -6.67500000 -18.20098730 -2.89205947 20.24165147 -25.68026490 0.59590396 5.74237588 8.14407599 0.00000000 0.00000000 0.00000000 0.98893075 0.34108934 -0.02977639 -0.45766005 0.00000000 -0.89248152 0.00000000 2.38400000 318.00000000 16_1GAG2.PDB 4.21624000 -27.11738968 -6.33750000 -6.25000000 -19.36500655 -4.90064198 22.32034009 -27.34089336 0.88185117 6.62195301 8.37841956 0.00000000 0.00000000 0.00000000 1.25242000 0.54043673 -0.01738166 -0.57818522 0.00000000 -1.78276474 0.00000000 2.38400000 318.00000000 17_1GAG2.PDB 4.10171000 -26.46550421 -5.70000000 -6.30000000 -19.30109560 -3.82342814 21.77662456 -27.61226897 1.00325673 5.80095384 8.04622089 0.00000000 0.00000000 0.00000000 1.04362191 0.38665298 -0.02753774 -0.43704762 0.00000000 -0.93480408 0.00000000 2.38400000 318.00000000 18_1GAG2.PDB 3.96745000 -25.75906722 -6.33750000 -5.57500000 -18.32799661 -3.99669823 20.39305510 -26.60388022 0.74294729 6.27140707 8.37755801 0.00000000 0.00000000 0.00000000 1.03732322 0.38623948 -0.00324273 -0.54710561 0.00000000 -1.18993451 0.00000000 2.38400000 318.00000000 19_1GAG2.PDB 4.60886000 -25.25120860 -6.33750000 -7.31250000 -18.31401376 -3.33734110 20.73638301 -26.30053607 0.64456810 5.53181091 9.20241475 0.00000000 0.00000000 0.00000000 1.91348462 0.38260771 -0.02084567 -0.48933942 0.00000000 -1.16779397 0.00000000 2.38400000 318.00000000 20_1GAG2.PDB 4.11502000 -25.64721648 -5.70000000 -6.48750000 -18.64141892 -3.26162275 21.27771977 -26.53952382 0.67456063 5.46995428 8.11245692 0.00000000 0.00000000 0.00000000 1.00826971 0.44730741 -0.01881284 -0.37845560 0.00000000 -1.16284387 0.00000000 2.38400000 318.00000000 21_1GAG2.PDB 4.22845000 -26.47159839 -6.33750000 -5.91250000 -19.17248950 -4.91246416 22.34106496 -27.02389369 0.92198195 6.06475706 8.41615698 0.00000000 0.00000000 0.00000000 1.17886780 0.37784767 -0.01998428 -0.53496039 0.00000000 -1.48063511 0.00000000 2.38400000 318.00000000 22_1GAG2.PDB 4.07890000 -25.24238729 -5.06250000 -4.97500000 -19.02792511 -4.96538658 22.25565553 -26.83324430 0.63656389 6.23169102 7.74410760 0.00000000 0.00000000 0.00000000 0.98391652 0.38531513 -0.01843906 -0.54417218 0.00000000 -1.66765460 0.00000000 2.38400000 318.00000000 23_1GAG2.PDB 4.29386000 -25.41335132 -6.58750000 -10.47500000 -17.98884665 -2.95351726 21.53836590 -25.07607957 0.53780764 7.37772491 8.73864756 0.00000000 0.00000000 0.00000000 1.19312973 0.37687536 -0.02348103 -0.55513153 0.00000000 -1.13947103 0.00000000 2.38400000 318.00000000 24_1GAG2.PDB 4.14334000 -24.90460895 -5.70000000 -6.48750000 -18.24265115 -3.18313832 20.79562698 -25.86613258 0.70685079 5.65303488 8.05652075 0.00000000 0.00000000 0.00000000 1.00159166 0.34495211 -0.01958977 -0.49340258 0.00000000 -1.12581962 0.00000000 2.38400000 318.00000000 25_1GAG2.PDB 4.30982000 -24.46701042 -5.06250000 -5.85000000 -18.55476589 -3.19266879 21.07607962 -26.33614159 0.80027489 5.39796184 7.82889872 0.00000000 0.00000000 0.00000000 0.97331902 0.34347425 -0.02082566 -0.40409727 0.00000000 -1.12254531 0.00000000 2.38400000 318.00000000 26_1GAG2.PDB 6.32803000 -25.61879807 -6.33750000 -5.57500000 -19.11799413 -3.62617042 21.64486005 -28.18740579 1.16209848 5.20525843 9.13777270 0.00000000 0.00000000 0.00000000 1.66936733 0.40526537 -0.02777330 -0.60068032 0.00000000 -0.96563111 0.00000000 2.38400000 318.00000000 27_1GAG2.PDB 8.14196000 -22.63357330 -5.70000000 -6.07500000 -18.14876394 -4.05646617 20.21619297 -26.45621346 2.81363938 5.55316351 8.16639040 0.00000000 0.00000000 0.00000000 2.16397117 0.35442771 -0.00479001 -0.42352934 0.00000000 -0.68216779 0.00000000 2.38400000 318.00000000 28_1GAG2.PDB 4.13433000 -17.27982858 -6.33750000 -5.12500000 -18.01661561 -3.98819978 19.73314453 -26.39070092 8.95562402 4.54218707 8.36984495 0.00000000 0.00000000 0.00000000 2.03610400 0.46115957 -0.00874692 -0.48506631 0.00000000 -0.56490360 0.00000000 2.38400000 318.00000000 29_1GAG2.PDB 4.20370000 -25.48625922 -6.58750000 -7.52500000 -19.39354581 -4.07535595 23.42894086 -27.31020012 0.95725072 6.66471654 9.08825783 0.00000000 0.00000000 0.00000000 1.18755703 0.39869556 -0.01425113 -0.54018618 0.00000000 -1.36694300 0.00000000 2.38400000 318.00000000 30_1GAG2.PDB 4.34241000 -25.45801042 -6.33750000 -3.80000000 -19.60261905 -3.90280296 22.37876961 -28.27026860 0.95213772 5.01756110 8.42011049 0.00000000 0.00000000 0.00000000 1.26057264 0.58500764 -0.02113814 -0.43867581 0.00000000 -1.11415742 0.00000000 2.38400000 318.00000000