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_1T082.PDB 3.80168000 -34.33756818 -9.11250000 -21.52500000 -19.87759234 -11.24414717 34.49306772 -22.19918192 1.41828483 10.55760200 8.64260311 0.00000000 0.00000000 0.00000000 1.83456885 0.71948127 0.11251690 -2.28641921 0.00000000 -5.15137095 0.00000000 2.38400000 525.00000000 2_1T082.PDB 3.15147000 -33.09032807 -8.22500000 -18.60000000 -19.74352032 -11.63691796 33.69565651 -22.31239389 1.60173228 9.28100097 8.42245637 0.00000000 0.00000000 0.00000000 1.48053090 0.55557267 0.14562570 -1.43503628 0.00000000 -5.76446236 0.00000000 2.38400000 525.00000000 3_1T082.PDB 3.25165000 -32.02733297 -9.11250000 -17.47500000 -19.34221902 -11.15803975 31.66048876 -21.86429226 1.48452566 9.58965391 9.84717567 0.00000000 0.00000000 0.00000000 1.48585088 0.69047910 0.11972854 -2.29532883 0.00000000 -4.96737653 0.00000000 2.38400000 525.00000000 4_1T082.PDB 3.41632000 -34.15441863 -8.22500000 -20.63750000 -19.93525318 -11.58568932 33.66724244 -22.55185574 2.00731055 9.44943417 9.28671070 0.00000000 0.00000000 0.00000000 1.52574176 0.53108881 0.14211527 -1.61994843 0.00000000 -5.67772684 0.00000000 2.38400000 525.00000000 5_1T082.PDB 3.36431000 -33.92219740 -8.22500000 -18.90000000 -19.58147479 -11.71410520 31.83935160 -22.39713769 1.42504915 9.25898416 9.54193004 0.00000000 0.00000000 0.00000000 1.39429198 0.54467991 0.14681408 -1.11039019 0.00000000 -5.60051055 0.00000000 2.38400000 525.00000000 6_1T082.PDB 3.13297000 -34.23846351 -9.11250000 -23.26250000 -19.67150290 -11.16549961 34.07563855 -21.93961231 1.95532423 10.56158733 9.47182542 0.00000000 0.00000000 0.00000000 1.56490858 0.69313157 0.11594386 -1.72698190 0.00000000 -5.10509476 0.00000000 2.38400000 525.00000000 7_1T082.PDB 3.71917000 -30.39162573 -8.22500000 -21.33750000 -18.46663363 -10.78244277 33.02958819 -19.74582375 1.55929378 8.86943566 9.12029272 0.00000000 0.00000000 0.00000000 2.38322790 0.68169853 0.12152046 -1.95582881 0.00000000 -4.96175546 0.00000000 2.38400000 525.00000000 8_1T082.PDB 3.42717000 -33.44788005 -9.11250000 -21.22500000 -19.39932456 -11.17847938 32.37026490 -21.92206224 1.52207739 10.50092837 9.79971387 0.00000000 0.00000000 0.00000000 1.45115830 0.63715585 0.12047556 -1.37988778 0.00000000 -4.99524449 0.00000000 2.38400000 525.00000000 9_1T082.PDB 3.04798000 -32.65974376 -8.22500000 -19.60000000 -19.34975055 -11.49757416 32.86758122 -20.92948607 1.42697638 8.33033660 9.07140961 0.00000000 0.00000000 0.00000000 2.41344471 0.55992719 0.14527772 -1.64580677 0.00000000 -5.66715245 0.00000000 2.38400000 525.00000000 10_1T082.PDB 3.78095000 -33.58753438 -8.22500000 -18.60000000 -19.59037601 -11.70493122 31.82190611 -22.37716012 1.54504676 9.21910863 9.55661788 0.00000000 0.00000000 0.00000000 1.48041919 0.54157996 0.15648018 -1.25094225 0.00000000 -5.61870353 0.00000000 2.38400000 525.00000000 11_1T082.PDB 4.91576000 -31.10961148 -8.22500000 -17.12500000 -20.09514892 -11.70659041 34.60663628 -22.81783241 2.07663425 8.79850148 9.03262954 0.00000000 0.00000000 0.00000000 1.24969652 0.54352914 0.14980889 -1.35510597 0.00000000 -5.69884073 0.00000000 2.38400000 525.00000000 12_1T082.PDB 3.12826000 -31.72150407 -8.22500000 -19.30000000 -19.23112209 -11.57990218 31.86321758 -20.88615946 1.41366254 8.17117920 9.36336982 0.00000000 0.00000000 0.00000000 3.08405243 0.54249769 0.14615593 -1.00049152 0.00000000 -5.54046634 0.00000000 2.38400000 525.00000000 13_1T082.PDB 3.20449000 -33.91645023 -9.96250000 -22.81250000 -18.70878018 -12.00099526 33.77516713 -19.93675724 1.53762250 9.38700167 9.49620002 0.00000000 0.00000000 0.00000000 2.33375484 0.63125120 0.10828815 -1.66980372 0.00000000 -5.46314815 0.00000000 2.38400000 525.00000000 14_1T082.PDB 3.15341000 -32.25844068 -9.96250000 -21.07500000 -18.44146582 -11.89860500 32.77395133 -20.01793219 1.54873278 9.25223942 9.68601131 0.00000000 0.00000000 0.00000000 2.23432010 0.67125034 0.11411946 -1.19230632 0.00000000 -5.28000575 0.00000000 2.38400000 525.00000000 15_1T082.PDB 3.61849000 -34.18286010 -9.96250000 -22.11250000 -19.71262397 -11.91870897 35.05007587 -22.23317688 1.74222510 10.39042100 9.60641149 0.00000000 0.00000000 0.00000000 1.49425703 0.60747890 0.11968508 -1.13474146 0.00000000 -5.51168440 0.00000000 2.38400000 525.00000000 16_1T082.PDB 3.20447000 -32.77816698 -7.33750000 -20.18750000 -19.29086364 -11.78530236 33.04887648 -20.83796956 1.49532777 8.30860981 8.69000980 0.00000000 0.00000000 0.00000000 2.37946973 0.52356360 0.14924822 -1.65156427 0.00000000 -5.75900895 0.00000000 2.38400000 525.00000000 17_1T082.PDB 3.89019000 -33.68860388 -9.11250000 -20.35000000 -19.32124107 -10.41679763 31.88675534 -22.35406363 1.69287312 8.99015310 9.97844719 0.00000000 0.00000000 0.00000000 1.44768560 0.72138202 0.13424236 -1.43635634 0.00000000 -4.82780192 0.00000000 2.38400000 525.00000000 18_1T082.PDB 3.21267000 -34.26659116 -9.96250000 -22.28750000 -20.09714327 -11.71728114 35.14349413 -22.60496623 1.68385995 10.62699030 9.98514709 0.00000000 0.00000000 0.00000000 1.64432568 0.78285353 0.11998081 -1.65627504 0.00000000 -5.14472343 0.00000000 2.38400000 525.00000000 19_1T082.PDB 3.45192000 -33.62868953 -8.22500000 -18.26250000 -19.51760848 -11.06857786 31.68097733 -22.82609050 1.71303683 8.69303230 9.67111110 0.00000000 0.00000000 0.00000000 1.54184173 0.51142194 0.16026700 -1.65859421 0.00000000 -5.53058476 0.00000000 2.38400000 525.00000000 20_1T082.PDB 3.02159000 -33.24143886 -9.11250000 -21.92500000 -18.61984994 -11.56832418 31.40670683 -20.08445192 1.34112163 9.65604846 9.56806280 0.00000000 0.00000000 0.00000000 2.31297211 0.74261140 0.12314469 -1.26739037 0.00000000 -5.07197898 0.00000000 2.38400000 525.00000000 21_1T082.PDB 3.55306000 -31.17628910 -8.22500000 -17.16250000 -19.65456533 -11.48035722 32.16144425 -22.50578505 1.97110313 9.26606258 9.56287411 0.00000000 0.00000000 0.00000000 1.53529517 0.51483672 0.14582218 -1.18827945 0.00000000 -5.60240346 0.00000000 2.38400000 525.00000000 22_1T082.PDB 3.31023000 -31.66457315 -8.22500000 -17.86250000 -19.16990661 -11.63315004 31.28053105 -21.00675432 1.60072554 8.63910092 9.32381884 0.00000000 0.00000000 0.00000000 2.25093751 0.57670411 0.14490053 -1.45153334 0.00000000 -5.55574322 0.00000000 2.38400000 525.00000000 23_1T082.PDB 3.30043000 -33.42490308 -11.70000000 -26.10000000 -20.02136078 -10.31921328 36.70592410 -21.22402959 2.02262438 11.89344468 10.60442574 0.00000000 0.00000000 0.00000000 1.74056657 0.81994692 0.07338452 -2.17240197 0.00000000 -4.92826743 0.00000000 2.38400000 525.00000000 24_1T082.PDB 3.64078000 -34.81302684 -9.96250000 -22.11250000 -19.48999763 -11.90531934 34.19688182 -21.36579399 1.54433678 10.63089487 9.35106127 0.00000000 0.00000000 0.00000000 1.54440143 0.48240738 0.12594871 -1.54115199 0.00000000 -5.82928878 0.00000000 2.38400000 525.00000000 25_1T082.PDB 3.63127000 -33.43921282 -9.11250000 -23.66250000 -19.02806856 -11.07108240 33.72010928 -20.26339021 1.54543090 9.41954881 9.33212864 0.00000000 0.00000000 0.00000000 2.46094454 0.67175592 0.12509285 -1.79490375 0.00000000 -5.11002292 0.00000000 2.38400000 525.00000000 26_1T082.PDB 3.13759000 -31.87310405 -8.22500000 -16.52500000 -19.22842174 -10.41506555 29.94917591 -22.99124780 1.83536423 8.80934669 10.02512147 0.00000000 0.00000000 0.00000000 1.24335005 0.58042554 0.16826569 -1.21124397 0.00000000 -5.30774903 0.00000000 2.38400000 525.00000000 27_1T082.PDB 3.10913000 -33.05653025 -9.96250000 -20.03750000 -19.14654394 -11.54596062 33.29027273 -22.20490956 1.94466556 9.73559932 10.03211462 0.00000000 0.00000000 0.00000000 1.50623443 0.60864931 0.12488630 -1.46880962 0.00000000 -5.32407946 0.00000000 2.38400000 525.00000000 28_1T082.PDB 4.26166000 -32.45591016 -9.96250000 -18.30000000 -18.85922841 -11.35555868 31.42005366 -22.20161448 1.53968071 9.63688791 10.32052122 0.00000000 0.00000000 0.00000000 1.46699386 0.64037651 0.14116723 -1.20222769 0.00000000 -5.10008549 0.00000000 2.38400000 525.00000000 29_1T082.PDB 3.48492000 -32.06411240 -10.85000000 -23.30000000 -18.17854778 -10.72731146 31.76928511 -20.07376029 2.25750308 11.52424997 10.52029446 0.00000000 0.00000000 0.00000000 1.44160781 0.65282776 0.09846066 -1.73244990 0.00000000 -4.81344407 0.00000000 2.38400000 525.00000000 30_1T082.PDB 2.72757000 -32.86573029 -9.96250000 -22.13750000 -18.48535748 -10.97247778 32.78457307 -20.37581187 1.71424060 8.69634980 9.90527598 0.00000000 0.00000000 0.00000000 2.42416278 0.68107640 0.14983034 -1.77976362 0.00000000 -4.82675211 0.00000000 2.38400000 525.00000000