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_2BUG2.PDB 3.02899000 -5.31500092 -0.63750000 -4.48750000 -4.14359766 -0.52135772 7.21127127 -5.02158662 0.25800141 2.43196812 0.02832100 0.00000000 0.00000000 0.00000000 0.19137715 0.08611782 -0.04417428 -0.20543384 0.00000000 -0.37478975 0.00000000 2.38400000 136.00000000 2_2BUG2.PDB 2.47592000 -3.17089610 -0.63750000 -4.15000000 -3.91679128 -0.47384931 6.85747978 -4.80992348 0.29825783 2.86808545 1.04624590 0.00000000 0.00000000 0.00000000 0.13524424 0.08309123 -0.04220163 -0.01500242 0.00000000 -0.33094119 0.00000000 2.38400000 136.00000000 3_2BUG2.PDB 3.04864000 -2.89844904 -0.63750000 -2.33750000 -3.97468758 -0.56981367 6.99590483 -4.82995165 0.53591508 1.72264067 0.21897369 0.00000000 0.00000000 0.00000000 0.44585279 0.12684033 -0.04043798 0.02992834 0.00000000 -0.45777356 0.00000000 2.38400000 136.00000000 4_2BUG2.PDB 2.41410000 -2.87063685 -1.23750000 -3.01250000 -4.15644506 -0.37363942 8.00594670 -4.83004672 0.91903571 1.73347818 0.15823983 0.00000000 0.00000000 0.00000000 0.17691446 0.18083526 -0.06058610 0.03351311 0.00000000 -0.22704755 0.00000000 2.38400000 136.00000000 5_2BUG2.PDB 2.46002000 -2.90134410 -0.63750000 -4.15000000 -4.04931175 -0.51900701 7.19932305 -4.97642145 0.28535163 3.39325924 0.73177846 0.00000000 0.00000000 0.00000000 0.17011240 0.10055535 -0.04508230 0.02899236 0.00000000 -0.33283871 0.00000000 2.38400000 136.00000000 6_2BUG2.PDB 2.70456000 -1.59843038 -0.63750000 -2.33750000 -4.00415307 -0.47978678 7.07843659 -4.86218626 0.45727900 1.63528137 1.70340000 0.00000000 0.00000000 0.00000000 0.16570664 0.14759722 -0.04395705 0.07750498 0.00000000 -0.35095580 0.00000000 2.38400000 136.00000000 7_2BUG2.PDB 2.46184000 -2.73800156 -0.63750000 -4.11250000 -4.11800181 -0.45777045 7.75528010 -4.80221267 0.85379319 1.97456935 0.98323324 0.00000000 0.00000000 0.00000000 0.35219445 0.14542276 -0.03426073 -0.09328443 0.00000000 -0.40154180 0.00000000 2.38400000 136.00000000 8_2BUG2.PDB 2.54278000 -5.01667496 -0.63750000 -4.11250000 -4.18745941 -0.56927736 7.51514601 -5.00743551 0.58217039 1.66662562 0.04151612 0.00000000 0.00000000 0.00000000 0.16214896 0.12792287 -0.03890822 -0.00183200 0.00000000 -0.42936956 0.00000000 2.38400000 136.00000000 9_2BUG2.PDB 2.47219000 -4.10454615 -0.63750000 -2.63750000 -3.88133072 -1.65761995 6.93493927 -4.72032117 0.67523972 1.38311836 0.83793100 0.00000000 0.00000000 0.00000000 0.20319744 0.11285139 -0.04106939 0.04361484 0.00000000 -0.60724555 0.00000000 2.38400000 136.00000000 10_2BUG2.PDB 2.57988000 -3.09674224 -0.63750000 -2.33750000 -4.02593677 -0.48024146 7.16580835 -4.88086332 0.43312618 1.63642358 0.21571789 0.00000000 0.00000000 0.00000000 0.16912431 0.13208557 -0.04439975 0.03808292 0.00000000 -0.34858417 0.00000000 2.38400000 136.00000000 11_2BUG2.PDB 2.75123000 -1.73622287 -0.63750000 -2.33750000 -3.93155466 -0.48945762 6.85411378 -4.79216853 0.48637998 1.59826312 1.71158876 0.00000000 0.00000000 0.00000000 0.16157256 0.12855541 -0.04300427 0.05136639 0.00000000 -0.36832237 0.00000000 2.38400000 136.00000000 12_2BUG2.PDB 2.60765000 -4.57144070 -0.63750000 -4.11250000 -4.17067806 -0.48179435 7.40717431 -5.03929540 0.52114417 2.21027589 0.04151612 0.00000000 0.00000000 0.00000000 0.15195751 0.12855398 -0.04258549 -0.09825989 0.00000000 -0.32089552 0.00000000 2.38400000 136.00000000 13_2BUG2.PDB 2.56120000 -1.23165036 -0.63750000 -2.71250000 -4.07315268 -1.02785633 7.33635893 -4.92260910 1.02381355 2.39814101 2.01038531 0.00000000 0.00000000 0.00000000 0.17469535 0.12699615 -0.02917192 0.05141633 0.00000000 -0.82367082 0.00000000 2.38400000 136.00000000 14_2BUG2.PDB 2.81380000 -3.04040504 -0.63750000 -3.08750000 -3.96093218 -0.99474668 7.04601330 -4.83509627 0.28867570 2.80587480 1.10636165 0.00000000 0.00000000 0.00000000 0.22461761 0.08453380 -0.02973088 -0.14079429 0.00000000 -0.82564779 0.00000000 2.38400000 136.00000000 15_2BUG2.PDB 2.52357000 -3.29057339 -0.63750000 -2.71250000 -4.33924542 -1.28922300 8.10392964 -5.20249870 0.50804272 2.77173407 0.61811379 0.00000000 0.00000000 0.00000000 0.18555635 0.14430300 -0.02462870 -0.24518134 0.00000000 -1.02717280 0.00000000 2.38400000 136.00000000 16_2BUG2.PDB 2.77752000 -3.03018972 -0.63750000 -2.33750000 -4.18920092 -0.48372296 7.36089227 -5.19596680 0.52804822 1.70023845 0.35493729 0.00000000 0.00000000 0.00000000 0.18509205 0.14706817 -0.04409990 0.03810427 0.00000000 -0.30951170 0.00000000 2.38400000 136.00000000 17_2BUG2.PDB 2.71570000 -3.21728681 -0.63750000 -4.11250000 -4.11788088 -0.45059611 7.31815600 -4.96473186 0.93920447 2.47393077 0.51561088 0.00000000 0.00000000 0.00000000 0.14668198 0.12621905 -0.04204227 0.02824247 0.00000000 -0.31386227 0.00000000 2.38400000 136.00000000 18_2BUG2.PDB 2.54768000 -1.63096101 -1.23750000 -3.38750000 -4.57098431 -0.90383943 8.98155280 -5.23635472 0.50946681 2.69720702 1.86085520 0.00000000 0.00000000 0.00000000 0.34849028 0.21512103 -0.05604336 0.08026105 0.00000000 -0.71657232 0.00000000 2.38400000 136.00000000 19_2BUG2.PDB 2.82428000 -2.75296194 -0.63750000 -2.75000000 -4.22274046 -1.20144269 7.78534753 -5.12606180 0.49805971 2.33769251 1.16566596 0.00000000 0.00000000 0.00000000 0.17180744 0.09314330 -0.02987234 0.14456946 0.00000000 -0.88848725 0.00000000 2.38400000 136.00000000 20_2BUG2.PDB 2.93687000 -4.61893193 -0.63750000 -2.71250000 -4.22071903 -2.21064377 7.72549150 -5.14825809 0.85925771 2.12419091 0.48726567 0.00000000 0.00000000 0.00000000 0.18827330 0.13130051 -0.03026037 0.07413554 0.00000000 -1.11766531 0.00000000 2.38400000 136.00000000 21_2BUG2.PDB 2.25207000 -4.84479646 -0.63750000 -3.01250000 -4.35121209 -2.19611268 8.10792226 -5.25565356 0.57489606 2.42055289 0.60004070 0.00000000 0.00000000 0.00000000 0.16427111 0.13424252 -0.02386895 -0.02692238 0.00000000 -1.20870983 0.00000000 2.38400000 136.00000000 22_2BUG2.PDB 2.80985000 -3.00455987 -1.23750000 -4.71250000 -4.00665180 -0.46889226 7.89378530 -4.75076954 0.74751509 2.05029104 1.57290253 0.00000000 0.00000000 0.00000000 0.39281379 0.19027395 -0.03451750 -0.00584928 0.00000000 -0.44518725 0.00000000 2.38400000 136.00000000 23_2BUG2.PDB 2.49630000 -4.94039970 -1.23750000 -4.71250000 -4.42849149 -0.41067360 8.39316564 -5.41014864 0.61090581 2.14567429 0.21860840 0.00000000 0.00000000 0.00000000 0.31645817 0.18211577 -0.04121855 -0.08968138 0.00000000 -0.29499837 0.00000000 2.38400000 136.00000000 24_2BUG2.PDB 2.57005000 -4.11153123 -1.23750000 -4.71250000 -4.69411842 -0.41314407 9.20541714 -5.56321106 1.19320040 1.99552191 0.14132190 0.00000000 0.00000000 0.00000000 0.29506797 0.22534617 -0.06615687 0.05489342 0.00000000 -0.31032354 0.00000000 2.38400000 136.00000000 25_2BUG2.PDB 2.79786000 -3.06137478 -0.63750000 -2.33750000 -4.24788161 -0.78092357 7.55025802 -5.19205583 0.50376716 2.11022449 0.40236540 0.00000000 0.00000000 0.00000000 0.21725245 0.14759722 -0.03867900 0.04423469 0.00000000 -0.65493697 0.00000000 2.38400000 136.00000000 26_2BUG2.PDB 2.51649000 -3.82019683 -1.23750000 -5.12500000 -4.61356869 -1.02855981 9.48224061 -5.26042765 1.22243084 2.84631328 0.56000343 0.00000000 0.00000000 0.00000000 0.26365836 0.19489815 -0.03289862 -0.00140052 0.00000000 -0.89548805 0.00000000 2.38400000 136.00000000 27_2BUG2.PDB 2.76092000 -2.77721296 -2.08750000 -5.17500000 -4.59201882 -0.01834280 7.88713929 -5.21823663 0.33345732 2.86863621 3.16674188 0.00000000 0.00000000 0.00000000 0.25620457 0.17121302 -0.02380079 -0.16584870 0.00000000 -0.00864448 0.00000000 2.38400000 136.00000000 28_2BUG2.PDB 2.63141000 -3.03697900 -0.63750000 -2.71250000 -4.01683762 -1.04820862 7.20662106 -4.86200732 0.74667621 2.42778648 0.48831585 0.00000000 0.00000000 0.00000000 0.21343791 0.11183653 -0.02754841 0.03864237 0.00000000 -0.85385692 0.00000000 2.38400000 136.00000000 29_2BUG2.PDB 2.98461000 -6.81725105 -0.63750000 -3.01250000 -4.21837126 -2.64009688 7.71769429 -5.09341318 0.60345148 1.48565425 0.03092498 0.00000000 0.00000000 0.00000000 0.34993251 0.13095145 -0.02632634 -0.08622567 0.00000000 -1.29047523 0.00000000 2.38400000 136.00000000 30_2BUG2.PDB 2.35700000 -2.12458756 -1.23750000 -3.01250000 -4.44501749 -0.35734779 8.35757286 -5.36496619 0.34864225 1.84203478 1.67466987 0.00000000 0.00000000 0.00000000 0.23925294 0.19178293 -0.06099367 0.10263144 0.00000000 -0.21106655 0.00000000 2.38400000 136.00000000