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_1XH52.PDB -73.22153135 -277.91250000 -166.78750000 -455.83914546 -43.62542445 592.47997792 -555.56071072 20.06023649 259.08050027 538.00577494 0.00000000 0.00000000 0.00000000 23.26393163 19.76680721 -0.83214845 -2.50116681 0.00000000 -3.05335668 0.00000000 0.00000000 357.00000000 2_1XH52.PDB -73.26376032 -277.21250000 -160.71250000 -453.85113622 -39.40202845 587.26816847 -555.19508480 13.80563343 257.09477447 536.75594385 0.00000000 0.00000000 0.00000000 23.39777421 19.69186982 -0.66996626 -2.47060635 0.00000000 -2.07223266 0.00000000 0.00000000 357.00000000 3_1XH52.PDB -73.69988514 -276.61250000 -161.13750000 -452.63849910 -37.66641408 584.55832356 -554.47008048 12.21835392 256.46836051 537.41380868 0.00000000 0.00000000 0.00000000 24.47355741 19.58585480 -1.18608147 -2.91969826 0.00000000 -2.20151584 0.00000000 0.00000000 357.00000000 4_1XH52.PDB -67.35923471 -273.06250000 -158.33750000 -452.16524273 -38.53880821 584.20921784 -553.57645742 13.09012688 255.42210038 536.71178764 0.00000000 0.00000000 0.00000000 24.38111079 19.63837852 -0.63978501 -2.48271275 0.00000000 -2.37057212 0.00000000 0.00000000 357.00000000 5_1XH52.PDB -76.30695407 -278.76250000 -161.38750000 -453.51233680 -40.53133874 587.65449291 -554.69154617 13.82042787 256.76905064 538.17948713 0.00000000 0.00000000 0.00000000 23.07818883 19.84957770 -0.38761590 -2.68209454 0.00000000 -3.85366931 0.00000000 0.00000000 357.00000000 6_1XH52.PDB -70.96263090 -274.40000000 -161.96250000 -453.10732383 -36.84775092 585.52604594 -554.27464745 13.53241176 254.93168351 537.62646707 0.00000000 0.00000000 0.00000000 24.33021453 19.62953192 -1.76881198 -2.52809242 0.00000000 -2.02032711 0.00000000 0.00000000 357.00000000 7_1XH52.PDB -76.35659321 -277.06250000 -164.25000000 -454.69718671 -41.13906418 590.89857338 -555.35525873 13.34542530 256.80284154 538.15852878 0.00000000 0.00000000 0.00000000 24.56686201 19.77406861 -2.14347063 -2.45360348 0.00000000 -3.02774048 0.00000000 0.00000000 357.00000000 8_1XH52.PDB -68.44142308 -275.72500000 -162.95000000 -453.18124460 -38.50338731 585.03142937 -554.99233950 17.74919091 257.27033615 537.08398194 0.00000000 0.00000000 0.00000000 25.71251175 19.63152191 -0.91908384 -2.63103755 0.00000000 -2.38678040 0.00000000 0.00000000 357.00000000 9_1XH52.PDB -76.52365640 -275.50000000 -160.67500000 -454.39078675 -43.05243928 588.30374287 -555.09467457 14.43704498 256.34356578 537.37551748 0.00000000 0.00000000 0.00000000 22.70113820 19.77037835 -0.89016288 -2.79078646 0.00000000 -3.29081578 0.00000000 0.00000000 357.00000000 10_1XH52.PDB -73.22425663 -273.76250000 -162.72500000 -453.86712889 -36.52523166 585.21374265 -556.34683656 12.38938267 255.87830879 537.44454627 0.00000000 0.00000000 0.00000000 24.48663926 19.60420329 -0.50521774 -3.00596879 0.00000000 -1.89899263 0.00000000 0.00000000 357.00000000 11_1XH52.PDB -73.06158263 -275.28750000 -162.31250000 -454.51756046 -42.21722437 589.26462798 -555.22156241 16.99626554 256.39215566 537.47930944 0.00000000 0.00000000 0.00000000 22.98277060 19.75268356 -0.65205299 -2.64469627 0.00000000 -3.32361536 0.00000000 0.00000000 357.00000000 12_1XH52.PDB -73.97462226 -276.36250000 -163.05000000 -454.45435122 -42.25650250 589.05138184 -555.62533562 15.96937699 257.55728558 536.67363923 0.00000000 0.00000000 0.00000000 25.81145851 19.67166957 -1.12985148 -2.99707552 0.00000000 -3.16214808 0.00000000 0.00000000 357.00000000 13_1XH52.PDB -70.08645727 -274.58750000 -161.05000000 -453.85588330 -40.68116980 587.01328467 -554.93946507 18.17790643 254.35483038 536.82530026 0.00000000 0.00000000 0.00000000 24.40477344 19.64076852 -0.28330108 -2.43190451 0.00000000 -3.03332869 0.00000000 0.00000000 357.00000000 14_1XH52.PDB -73.30328174 -276.36250000 -162.58750000 -454.42529501 -38.56518865 587.60813033 -556.04891759 13.43874053 256.94474530 536.83222620 0.00000000 0.00000000 0.00000000 26.16526874 19.65512268 -1.39999580 -2.51786475 0.00000000 -2.38513105 0.00000000 0.00000000 357.00000000 15_1XH52.PDB -70.70208903 -273.98750000 -161.13750000 -452.64151049 -38.81451554 584.17616116 -554.12594387 12.62653064 256.23088910 536.72129911 0.00000000 0.00000000 0.00000000 25.98243961 19.60748218 -0.89696051 -2.47910020 0.00000000 -2.35637803 0.00000000 0.00000000 357.00000000 16_1XH52.PDB -72.40324597 -277.06250000 -163.75000000 -453.63748421 -41.92267835 587.29642977 -554.26937692 17.38719229 256.77283848 538.41720900 0.00000000 0.00000000 0.00000000 24.72622090 19.66576754 -0.56922925 -2.78650567 0.00000000 -3.00536201 0.00000000 0.00000000 357.00000000 17_1XH52.PDB -75.51716976 -277.21250000 -160.80000000 -453.49448914 -43.63842242 587.91270231 -553.81994084 16.64997520 255.99082755 536.33987567 0.00000000 0.00000000 0.00000000 24.72497924 19.78518668 -1.35448205 -3.54697117 0.00000000 -3.26872412 0.00000000 0.00000000 357.00000000 18_1XH52.PDB -74.49499748 -277.25000000 -161.77500000 -452.91850050 -38.12912452 584.01391319 -554.83072879 13.43166110 255.77777937 537.53710240 0.00000000 0.00000000 0.00000000 25.95438471 19.63054198 -1.07820224 -2.91969991 0.00000000 -2.30858229 0.00000000 0.00000000 357.00000000 19_1XH52.PDB -78.38057682 -275.43750000 -164.97500000 -455.28122102 -44.15039210 591.40009364 -556.00446225 13.73273841 257.46856958 536.73920846 0.00000000 0.00000000 0.00000000 25.24166402 19.68449448 -0.78664496 -2.77096135 0.00000000 -3.55666926 0.00000000 0.00000000 357.00000000 20_1XH52.PDB -79.17149014 -276.28750000 -167.71250000 -454.51117567 -42.78977835 591.23863733 -555.44767177 13.07146236 258.33814432 537.07471940 0.00000000 0.00000000 0.00000000 24.65216452 19.66331860 -0.82508090 -2.54815264 0.00000000 -3.42475874 0.00000000 0.00000000 357.00000000 21_1XH52.PDB -72.44915444 -279.83750000 -163.27500000 -455.37780430 -43.98698574 594.67476131 -554.96732465 20.66616799 256.40234771 537.50931583 0.00000000 0.00000000 0.00000000 23.04679541 19.85055220 -0.88994649 -2.66982705 0.00000000 -3.74415446 0.00000000 0.00000000 357.00000000 22_1XH52.PDB -72.23498605 -277.06250000 -161.51250000 -455.57995292 -38.07568118 589.61409874 -558.28004098 14.34394548 256.38412630 538.81478765 0.00000000 0.00000000 0.00000000 24.70010196 19.71409884 -0.25944295 -2.69353645 0.00000000 -2.62839171 0.00000000 0.00000000 357.00000000 23_1XH52.PDB -74.34848412 -273.91250000 -163.25000000 -454.56429001 -42.34258618 590.12460248 -555.36600987 13.96090404 256.74068507 537.75410839 0.00000000 0.00000000 0.00000000 23.24413260 19.77465672 -0.93965704 -2.52338180 0.00000000 -3.27449178 0.00000000 0.00000000 357.00000000 24_1XH52.PDB -71.09232515 -274.83750000 -160.03750000 -453.48842402 -37.05523324 585.55239433 -555.18255890 13.47897287 255.74535166 536.78275104 0.00000000 0.00000000 0.00000000 23.32749888 19.69648686 -0.77480271 -2.49476733 0.00000000 -2.10850774 0.00000000 0.00000000 357.00000000 25_1XH52.PDB -71.96813597 -273.55000000 -162.23750000 -455.88056243 -42.95549252 590.01307045 -557.11266803 17.21047459 256.81639389 537.47660971 0.00000000 0.00000000 0.00000000 24.61285496 19.74086442 -0.17280698 -2.68198410 0.00000000 -3.50652551 0.00000000 0.00000000 357.00000000 26_1XH52.PDB -72.49861761 -273.95000000 -161.81250000 -453.48714978 -38.65274994 585.71356686 -555.07215381 13.76588419 255.23362193 537.37906332 0.00000000 0.00000000 0.00000000 24.34561004 19.64863695 -1.31136311 -2.41426203 0.00000000 -2.23618527 0.00000000 0.00000000 357.00000000 27_1XH52.PDB -74.02766482 -273.70000000 -167.46250000 -455.09398398 -43.11554660 593.17920406 -555.33162872 13.64791382 257.00110526 537.13686704 0.00000000 0.00000000 0.00000000 26.02130064 19.73461475 -0.77300151 -2.22143133 0.00000000 -3.31596351 0.00000000 0.00000000 357.00000000 28_1XH52.PDB -77.50457811 -277.25000000 -164.12500000 -455.58391167 -43.36171209 590.99552843 -556.29988073 15.79773154 257.13553345 536.99047115 0.00000000 0.00000000 0.00000000 25.99240908 19.78001003 -0.86756756 -3.37161357 0.00000000 -3.55656615 0.00000000 0.00000000 357.00000000 29_1XH52.PDB -73.98946849 -274.80000000 -163.92500000 -454.36758770 -41.37064234 587.89840489 -554.99840469 15.85032032 255.16163713 537.87344022 0.00000000 0.00000000 0.00000000 24.53189418 19.71795083 -0.66126767 -2.29954356 0.00000000 -2.88271927 0.00000000 0.00000000 357.00000000 30_1XH52.PDB -73.38954945 -276.17500000 -162.47500000 -455.31812454 -37.52408474 588.09857221 -557.36371011 13.68131834 256.89794412 538.10395573 0.00000000 0.00000000 0.00000000 24.89992501 19.66201555 -0.14047151 -3.50043159 0.00000000 -2.57444237 0.00000000 0.00000000 357.00000000