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_1DS52.PDB 198.73724403 -256.70000000 -155.21250000 -440.04041449 -33.60020175 562.02210619 -543.76631386 120.45141567 248.77169178 599.61310362 0.00000000 0.00000000 1.12405600 100.33142626 188.17789880 0.06537393 -1.42829530 0.00000000 -2.89420401 0.00000000 0.00000000 346.00000000 2_1DS52.PDB 199.60664359 -257.58750000 -157.83750000 -439.09902511 -33.79051537 561.67059420 -542.67968674 118.68451180 251.38879602 600.78844505 0.00000000 0.00000000 1.12405600 101.17162887 187.78187457 0.06537393 -1.56359377 0.00000000 -2.72894129 0.00000000 0.00000000 346.00000000 3_1DS52.PDB 198.79561862 -256.70000000 -157.32500000 -440.11569888 -34.25988472 562.04192413 -544.00768654 119.65356043 250.61757442 599.92667383 0.00000000 0.00000000 1.12405600 101.86958200 188.02882401 0.06537393 -1.34471387 0.00000000 -2.75014211 0.00000000 0.00000000 346.00000000 4_1DS52.PDB 198.62519476 -257.62500000 -157.83750000 -439.46536832 -33.34182995 561.44531406 -543.42736040 119.87486141 250.92097809 600.49763025 0.00000000 0.00000000 1.12405600 100.86659319 187.28824963 0.06537393 -1.46706530 0.00000000 -3.00548821 0.00000000 0.00000000 346.00000000 5_1DS52.PDB 196.32669126 -259.17500000 -159.42500000 -440.03970213 -34.05932662 563.25483663 -543.75289178 119.10825544 252.28456308 599.70921853 0.00000000 0.00000000 1.12405600 101.59741673 188.14746332 0.06537393 -1.45365835 0.00000000 -2.91145020 0.00000000 0.00000000 346.00000000 6_1DS52.PDB 198.07461265 -258.47500000 -158.72500000 -439.51548977 -33.57671860 562.71665582 -542.96800956 119.03004390 251.44304911 600.31923607 0.00000000 0.00000000 1.12405600 101.26387253 187.99321707 0.06537393 -1.78890920 0.00000000 -2.83854759 0.00000000 0.00000000 346.00000000 7_1DS52.PDB 199.97911705 -257.62500000 -156.06250000 -439.29776200 -33.23393218 560.69018296 -543.25194054 118.94381624 250.56971383 601.45304744 0.00000000 0.00000000 1.12405600 100.70499496 187.25837505 0.06537393 -1.26096800 0.00000000 -2.83996559 0.00000000 0.00000000 346.00000000 8_1DS52.PDB 198.30445000 -258.47500000 -158.38750000 -440.83542422 -33.53491736 562.79667996 -545.54522416 121.38206079 251.64078678 600.82464784 0.00000000 0.00000000 1.12405600 101.53836237 188.10567225 0.06537393 -1.26929064 0.00000000 -3.02016129 0.00000000 0.00000000 346.00000000 9_1DS52.PDB 199.98873762 -259.32500000 -159.61250000 -440.07349231 -33.42558690 563.95950179 -543.27794495 120.67353319 252.18958936 600.37961996 0.00000000 0.00000000 1.12405600 101.30424853 187.96956150 0.06537393 -1.45424463 0.00000000 -2.53841635 0.00000000 0.00000000 346.00000000 10_1DS52.PDB 195.44038821 -259.96250000 -158.47500000 -440.17028472 -33.54244251 564.13005377 -543.31773596 116.60045915 251.22807002 601.02438146 0.00000000 0.00000000 1.12405600 100.98216635 188.11601209 0.06537393 -1.32029966 0.00000000 -2.92590962 0.00000000 0.00000000 346.00000000 11_1DS52.PDB 197.18455202 -259.36250000 -157.83750000 -440.71946423 -33.35373794 562.98440488 -544.85372116 118.92914580 251.83144917 601.51686307 0.00000000 0.00000000 1.12405600 101.03388176 188.64262737 0.06537393 -1.35152322 0.00000000 -2.82217605 0.00000000 0.00000000 346.00000000 12_1DS52.PDB 200.00458154 -257.80000000 -157.75000000 -440.18006464 -32.95435505 564.02052496 -543.12106450 118.72828507 250.92016497 599.61095373 0.00000000 0.00000000 1.12405600 101.14398071 187.25073601 0.06537393 -1.36339100 0.00000000 -2.43988266 0.00000000 0.00000000 346.00000000 13_1DS52.PDB 196.90290144 -258.28750000 -158.87500000 -439.65182333 -34.10657354 562.38965437 -543.12458862 118.69389182 251.96461591 599.28331980 0.00000000 0.00000000 1.12405600 101.61329557 188.52347524 0.06537393 -1.29980500 0.00000000 -2.88601548 0.00000000 0.00000000 346.00000000 14_1DS52.PDB 194.14150462 -258.51250000 -160.50000000 -439.41543667 -33.04056727 562.01691857 -542.69254154 115.06691714 253.01285082 600.48114905 0.00000000 0.00000000 1.12405600 101.00534593 187.65385139 0.06537393 -1.70757977 0.00000000 -2.76248158 0.00000000 0.00000000 346.00000000 15_1DS52.PDB 194.92874126 -259.17500000 -157.65000000 -440.23465581 -34.89252589 563.85829670 -544.14794140 118.97680610 251.58769919 599.52168266 0.00000000 0.00000000 1.12405600 101.03860512 188.06366600 0.06537393 -1.60285143 0.00000000 -3.54080391 0.00000000 0.00000000 346.00000000 16_1DS52.PDB 197.02379729 -258.47500000 -155.17500000 -440.70432111 -33.82396676 562.63878566 -545.32222056 120.02763435 250.31064857 600.00681220 0.00000000 0.00000000 1.12405600 101.16253302 188.95689845 0.06537393 -1.31962495 0.00000000 -3.49191304 0.00000000 0.00000000 346.00000000 17_1DS52.PDB 196.47420569 -258.47500000 -159.06250000 -440.63467633 -33.02196178 562.77254745 -545.12268163 120.47530757 251.46870828 599.63746414 0.00000000 0.00000000 1.12405600 101.65275101 188.16834585 0.06537393 -1.45140219 0.00000000 -2.95378075 0.00000000 0.00000000 346.00000000 18_1DS52.PDB 201.50992492 -259.32500000 -156.43750000 -440.13294972 -33.75735239 563.62266151 -543.38405385 120.86008425 250.57474531 600.68838309 0.00000000 0.00000000 1.12405600 101.66391041 187.98338010 0.06537393 -1.31650037 0.00000000 -2.73593325 0.00000000 0.00000000 346.00000000 19_1DS52.PDB 202.08018928 -257.51250000 -157.87500000 -439.70462181 -32.74198615 562.44324005 -542.92575326 120.90486305 250.40085303 599.92330837 0.00000000 0.00000000 1.12405600 101.50169429 186.44687972 0.06537393 -1.07160905 0.00000000 -2.45172916 0.00000000 0.00000000 346.00000000 20_1DS52.PDB 196.39964044 -258.47500000 -156.95000000 -439.63047638 -34.09788979 563.17971001 -542.94398333 116.80358711 250.60539385 599.42439603 0.00000000 0.00000000 1.12405600 101.72578515 187.98756199 0.06537393 -1.39843167 0.00000000 -3.03288046 0.00000000 0.00000000 346.00000000 21_1DS52.PDB 193.48269296 -258.53750000 -160.52500000 -439.47307140 -33.14363861 563.59783757 -542.70951282 115.16422550 251.78174340 599.26896426 0.00000000 0.00000000 1.12405600 101.28285556 187.04075328 0.06537393 -1.40544777 0.00000000 -3.00819266 0.00000000 0.00000000 346.00000000 22_1DS52.PDB 196.65240123 -259.36250000 -156.06250000 -440.91622836 -33.66835929 562.50190569 -545.48548967 119.09324632 250.98216802 601.08315733 0.00000000 0.00000000 1.12405600 101.71848783 189.11452737 0.06537393 -1.26644657 0.00000000 -3.15446999 0.00000000 0.00000000 346.00000000 23_1DS52.PDB 194.56372957 -257.40000000 -157.98750000 -440.87761782 -33.08619081 561.29545621 -545.30539387 118.66380303 251.65261450 599.48171168 0.00000000 0.00000000 1.12405600 100.91378751 188.40015395 0.06537393 -1.27161770 0.00000000 -2.70475310 0.00000000 0.00000000 346.00000000 24_1DS52.PDB 195.08202378 -258.47500000 -156.95000000 -439.53048291 -33.79747889 562.53828142 -543.00010762 115.95745631 250.14683989 600.25573840 0.00000000 0.00000000 1.12405600 101.27551592 187.89049498 0.06537393 -1.26814289 0.00000000 -3.26002577 0.00000000 0.00000000 346.00000000 25_1DS52.PDB 198.00158097 -259.17500000 -159.76250000 -439.88875311 -33.00981215 562.81227687 -543.05339298 118.61528299 252.99460672 599.44785620 0.00000000 0.00000000 1.12405600 101.45011103 187.68286638 0.06537393 -1.24930930 0.00000000 -2.36921523 0.00000000 0.00000000 346.00000000 26_1DS52.PDB 199.09531187 -257.58750000 -155.72500000 -440.49181716 -33.53812984 561.86779617 -544.94628551 120.32305400 250.98792595 599.50993101 0.00000000 0.00000000 1.12405600 101.91424705 188.90231499 0.06537393 -1.43903081 0.00000000 -2.96930892 0.00000000 0.00000000 346.00000000 27_1DS52.PDB 198.56382590 -258.43750000 -156.98750000 -440.10971622 -33.84688894 562.78183467 -543.61342330 119.00084358 250.95383430 600.07573186 0.00000000 0.00000000 1.12405600 101.59437295 187.83130144 0.06537393 -1.30368598 0.00000000 -2.73350694 0.00000000 0.00000000 346.00000000 28_1DS52.PDB 202.82865272 -258.47500000 -158.38750000 -439.63462882 -33.70905858 563.14590890 -542.80008432 122.63520632 251.96762524 599.28149042 0.00000000 0.00000000 1.12405600 101.40729873 188.47480551 0.06537393 -1.34766220 0.00000000 -2.44437289 0.00000000 0.00000000 346.00000000 29_1DS52.PDB 200.02676817 -257.62500000 -157.50000000 -439.90682630 -33.55656305 562.44886219 -543.63736920 120.43906947 250.28361968 600.87476216 0.00000000 0.00000000 1.12405600 100.99124385 188.38057171 0.06537393 -1.68914809 0.00000000 -2.28531247 0.00000000 0.00000000 346.00000000 30_1DS52.PDB 200.56757757 -258.22500000 -157.76250000 -440.04283027 -32.18869715 562.04575976 -544.08323942 120.26518645 249.10099555 601.75128679 0.00000000 0.00000000 1.12405600 100.99609520 188.24373730 0.06537393 -1.04528056 0.00000000 -1.43362870 0.00000000 0.00000000 346.00000000