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_1XH42.PDB -48.08123539 -274.27500000 -150.35000000 -449.17214458 -36.17857899 576.08323773 -549.89584115 22.84034809 250.06115619 545.50475846 0.00000000 0.00000000 0.00000000 25.56052002 24.61465840 -0.46493257 -2.89667294 0.00000000 -4.89808565 0.00000000 0.00000000 357.00000000 2_1XH42.PDB -50.09840798 -274.12500000 -153.22500000 -448.23851319 -38.31397995 577.51461498 -547.66674455 22.15938616 250.33994512 544.92229775 0.00000000 0.00000000 0.00000000 25.16407835 24.54519105 -0.69930285 -2.02905145 0.00000000 -5.90113835 0.00000000 0.00000000 357.00000000 3_1XH42.PDB -43.43226108 -274.12500000 -146.66250000 -447.73006064 -38.67665213 575.07430268 -547.20441155 22.55242434 249.28874480 545.43693489 0.00000000 0.00000000 0.00000000 27.42524997 24.59735213 -1.17731986 -2.27382130 0.00000000 -5.36015228 0.00000000 0.00000000 357.00000000 4_1XH42.PDB -46.26400260 -271.93750000 -145.32500000 -446.92147092 -38.35666788 572.50840265 -546.63902196 22.18244010 247.50400670 543.31690195 0.00000000 0.00000000 0.00000000 26.14237387 24.58547582 -0.96482828 -2.16214027 0.00000000 -5.61149855 0.00000000 0.00000000 357.00000000 5_1XH42.PDB -48.85636622 -273.46250000 -152.81250000 -448.06313987 -39.47869014 577.37926173 -547.38360933 22.36706221 251.11047503 543.40043369 0.00000000 0.00000000 0.00000000 27.70386517 24.59670820 -1.56398247 -2.28565639 0.00000000 -5.76738585 0.00000000 0.00000000 357.00000000 6_1XH42.PDB -53.94595038 -274.31250000 -152.66250000 -448.73866007 -38.39387696 576.97046282 -548.37274134 22.11745443 249.61836534 543.49342342 0.00000000 0.00000000 0.00000000 25.42560418 24.57335592 -1.32423977 -2.07444441 0.00000000 -5.69229802 0.00000000 0.00000000 357.00000000 7_1XH42.PDB -50.36713408 -273.46250000 -149.60000000 -447.84771660 -39.20017958 576.07350876 -547.37568744 21.81318354 248.39302178 544.06214432 0.00000000 0.00000000 0.00000000 26.61834098 24.57046971 -1.37223677 -2.66585014 0.00000000 -5.80316293 0.00000000 0.00000000 357.00000000 8_1XH42.PDB -49.78565584 -275.86250000 -151.06250000 -449.22896376 -35.49783591 576.79633884 -549.98262784 22.56606116 248.61886038 545.49400003 0.00000000 0.00000000 0.00000000 25.99072629 24.59133916 -0.49484177 -2.32507456 0.00000000 -4.79729870 0.00000000 0.00000000 357.00000000 9_1XH42.PDB -46.13047407 -272.75000000 -148.28750000 -449.05538302 -36.95893291 576.16198367 -549.44141756 23.06030015 248.38987778 544.18316637 0.00000000 0.00000000 0.00000000 25.78268385 24.52631126 -0.44078452 -1.89382943 0.00000000 -4.88063845 0.00000000 0.00000000 357.00000000 10_1XH42.PDB -46.55391090 -273.27500000 -145.71250000 -449.27332283 -38.07292438 576.24032153 -549.34477185 22.16249776 248.02635289 544.51425106 0.00000000 0.00000000 0.00000000 27.34321259 24.93641002 -1.30525387 -2.24042185 0.00000000 -5.61635195 0.00000000 0.00000000 357.00000000 11_1XH42.PDB -49.55194964 -272.60000000 -148.80000000 -449.13411397 -37.73340692 576.23659152 -549.85969213 21.91127436 248.87920012 543.98449532 0.00000000 0.00000000 0.00000000 25.71065346 24.54463644 -0.62334178 -2.15357618 0.00000000 -5.37003344 0.00000000 0.00000000 357.00000000 12_1XH42.PDB -45.85313057 -271.31250000 -150.58750000 -447.59940849 -37.47089456 576.18777807 -547.61852674 23.25764447 248.08146775 544.10281370 0.00000000 0.00000000 0.00000000 25.38565220 24.58988803 -0.70693661 -2.05807997 0.00000000 -5.51464039 0.00000000 0.00000000 357.00000000 13_1XH42.PDB -48.03784521 -269.97500000 -148.58750000 -447.52395732 -38.38672551 574.72386676 -547.67068472 22.46167989 247.65230682 542.36808780 0.00000000 0.00000000 0.00000000 25.48337318 24.58084622 -0.93067187 -2.15194311 0.00000000 -5.50067713 0.00000000 0.00000000 357.00000000 14_1XH42.PDB -40.98696163 -272.38750000 -146.11250000 -448.24315017 -38.43990809 575.85246900 -547.67094880 22.40020345 247.86919123 544.52579396 0.00000000 0.00000000 0.00000000 29.61544380 24.58730847 -1.08783230 -1.97931067 0.00000000 -5.32891306 0.00000000 0.00000000 357.00000000 15_1XH42.PDB -44.32757685 -273.46250000 -146.21250000 -449.26539678 -37.20769742 575.65663805 -549.80268679 23.78934576 248.74495347 545.92381244 0.00000000 0.00000000 0.00000000 25.51632383 24.57173354 -0.43973287 -2.05690697 0.00000000 -5.51122957 0.00000000 0.00000000 357.00000000 16_1XH42.PDB -49.45741385 -274.12500000 -150.81250000 -448.58664511 -37.91086321 575.98225235 -548.21527817 21.98399008 249.31467314 545.39186658 0.00000000 0.00000000 0.00000000 25.69825339 24.59432159 -0.52430552 -2.04185296 0.00000000 -5.61200439 0.00000000 0.00000000 357.00000000 17_1XH42.PDB -48.49203492 -271.75000000 -149.65000000 -448.06360229 -38.71595381 575.98504940 -548.42340110 22.05211857 248.43968428 543.00166277 0.00000000 0.00000000 0.00000000 27.39798640 24.56132330 -1.17846261 -2.07198509 0.00000000 -5.51513143 0.00000000 0.00000000 357.00000000 18_1XH42.PDB -45.10670563 -273.01250000 -149.17500000 -448.90247195 -37.64957032 576.63742030 -549.09294068 23.85001443 248.24181059 544.27546013 0.00000000 0.00000000 0.00000000 28.14425403 24.58784859 -0.61074351 -2.19548663 0.00000000 -5.61695201 0.00000000 0.00000000 357.00000000 19_1XH42.PDB -52.95305473 -273.27500000 -154.20000000 -448.54257395 -38.26696552 576.36266229 -548.64135359 22.15175646 249.14402478 544.63353118 0.00000000 0.00000000 0.00000000 25.91833313 24.57852663 -0.65635814 -1.94140941 0.00000000 -5.63970196 0.00000000 0.00000000 357.00000000 20_1XH42.PDB -47.38271419 -271.68750000 -145.75000000 -448.75834215 -39.25258272 574.06703220 -549.19821143 24.34834645 247.53707170 544.08969364 0.00000000 0.00000000 0.00000000 25.39502855 24.53631991 -0.85614864 -1.98122885 0.00000000 -5.33587294 0.00000000 0.00000000 357.00000000 21_1XH42.PDB -49.88062176 -275.86250000 -150.48750000 -447.33195340 -38.45801854 577.47909470 -546.63920186 22.19931446 248.32348656 543.91016161 0.00000000 0.00000000 0.00000000 25.61553378 24.76389249 -1.28115330 -1.94619900 0.00000000 -5.40168679 0.00000000 0.00000000 357.00000000 22_1XH42.PDB -47.93075251 -275.41250000 -149.57500000 -449.33307417 -36.96475637 577.97285045 -549.45904890 22.34118755 249.50658157 544.49882936 0.00000000 0.00000000 0.00000000 26.90697451 24.57131718 -1.27706295 -2.01029721 0.00000000 -5.12543635 0.00000000 0.00000000 357.00000000 23_1XH42.PDB -49.07230288 -272.53750000 -149.23750000 -448.93985350 -38.15177291 575.91056991 -549.43136174 23.19116992 248.75497855 544.44484211 0.00000000 0.00000000 0.00000000 25.03121410 24.44971607 -0.64358307 -1.98617420 0.00000000 -5.47733204 0.00000000 0.00000000 357.00000000 24_1XH42.PDB -52.11027817 -273.46250000 -148.78750000 -448.74084705 -39.79161152 576.99736966 -547.99519860 21.80180843 247.78577332 543.50430301 0.00000000 0.00000000 0.00000000 25.53387226 24.56135619 -1.32877033 -1.96165262 0.00000000 -5.66532473 0.00000000 0.00000000 357.00000000 25_1XH42.PDB -50.11736766 -273.46250000 -150.73750000 -447.58554861 -39.63326951 575.78476259 -547.00150498 22.27810799 249.35420588 543.41877024 0.00000000 0.00000000 0.00000000 26.61714584 24.57445627 -1.45509877 -2.16465742 0.00000000 -5.53028091 0.00000000 0.00000000 357.00000000 26_1XH42.PDB -50.23536054 -275.05000000 -149.36250000 -447.39147475 -37.32268091 575.69825033 -547.26122313 21.76112901 246.94217635 544.04580622 0.00000000 0.00000000 0.00000000 26.53123467 24.56557912 -1.43771402 -1.98993293 0.00000000 -5.39843140 0.00000000 0.00000000 357.00000000 27_1XH42.PDB -43.88349152 -273.23750000 -149.96250000 -450.58343650 -37.17245701 577.95623257 -550.90412283 24.65960575 250.24803223 544.69831378 0.00000000 0.00000000 0.00000000 28.81237770 24.58001886 -0.54341562 -2.71160287 0.00000000 -5.14301872 0.00000000 0.00000000 357.00000000 28_1XH42.PDB -47.10843679 -275.38750000 -148.17500000 -448.56751677 -37.14798004 576.42949565 -548.58061711 21.77611748 248.83521799 545.37093187 0.00000000 0.00000000 0.00000000 26.69040010 24.49974927 -1.08996908 -2.04036842 0.00000000 -5.22164845 0.00000000 0.00000000 357.00000000 29_1XH42.PDB -50.21457537 -272.78750000 -148.07500000 -449.06551791 -37.45410183 574.64028809 -549.83257320 22.46228803 248.70748905 543.82613589 0.00000000 0.00000000 0.00000000 25.51633703 24.56062416 -0.45666360 -2.43487825 0.00000000 -5.26087866 0.00000000 0.00000000 357.00000000 30_1XH42.PDB -49.21641007 -270.95000000 -148.75000000 -448.68772431 -38.19058193 574.90674036 -548.44510828 22.71885570 248.34250333 543.39348787 0.00000000 0.00000000 0.00000000 25.20712727 24.48861294 -0.77247167 -2.51233419 0.00000000 -5.47690422 0.00000000 0.00000000 357.00000000