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_1IQ12.PDB 1.26726000 -9.00236737 -5.25000000 -8.76250000 -9.37097034 -2.32594098 17.86986970 -10.14427938 0.03435667 4.40754836 5.31222104 0.00000000 0.00000000 0.00000000 0.49481817 2.49683331 -0.08207333 -0.07565496 0.00000000 -1.10976233 0.00000000 2.38400000 433.00000000 2_1IQ12.PDB 1.85235000 -10.23348380 -3.51250000 -7.43750000 -9.86424303 -2.04699106 16.23670684 -11.56727563 0.05157629 2.56873702 5.82009819 0.00000000 0.00000000 0.00000000 0.41243593 2.44316547 -0.00119963 -0.10913187 0.00000000 -0.78419684 0.00000000 2.38400000 433.00000000 3_1IQ12.PDB 1.34277000 -9.03959954 -5.25000000 -10.53750000 -9.34980684 -2.33186934 18.18337189 -10.11092548 0.15471168 4.51577735 6.64530564 0.00000000 0.00000000 0.00000000 0.36543348 2.48621455 -0.08816011 -0.18863338 0.00000000 -1.04730442 0.00000000 2.38400000 433.00000000 4_1IQ12.PDB 1.47167000 -10.12391229 -4.40000000 -11.80000000 -10.23795911 -2.52849933 19.66534782 -10.76379562 0.23964585 4.88655426 5.67328230 0.00000000 0.00000000 0.00000000 0.35309408 2.97491170 -0.09627868 -0.13314313 0.00000000 -0.98216073 0.00000000 2.38400000 433.00000000 5_1IQ12.PDB 1.88944000 -8.54985849 -2.66250000 -6.58750000 -9.45212346 -2.11454279 14.41973320 -11.30591290 0.16017316 2.92457785 6.74130959 0.00000000 0.00000000 0.00000000 0.38429739 2.35274892 0.01310562 -0.20307872 0.00000000 -0.86739743 0.00000000 2.38400000 433.00000000 6_1IQ12.PDB 1.83132000 -10.07024201 -2.66250000 -8.36250000 -10.11772534 -2.76362703 15.85405372 -11.75931441 0.23590401 4.09846705 6.24389104 0.00000000 0.00000000 0.00000000 0.39802992 2.61905295 0.01007331 -0.27760930 0.00000000 -0.96738497 0.00000000 2.38400000 433.00000000 7_1IQ12.PDB 1.30202000 -8.14666311 -4.40000000 -6.51250000 -9.14444489 -2.31303140 15.77170192 -10.75544102 0.02174086 4.45801683 5.71196317 0.00000000 0.00000000 0.00000000 0.56586021 2.47993475 -0.03090000 -0.37695416 0.00000000 -1.14267462 0.00000000 2.38400000 433.00000000 8_1IQ12.PDB 1.44145000 -9.84179107 -3.51250000 -3.88750000 -9.55955160 -2.41955443 15.06240923 -12.04444268 0.03140037 2.11288578 4.86237245 0.00000000 0.00000000 0.00000000 0.51681038 2.44244687 0.00067118 -0.05516629 0.00000000 -0.94962545 0.00000000 2.38400000 433.00000000 9_1IQ12.PDB 1.65854000 -9.87529051 -5.25000000 -12.31250000 -9.85198850 -2.62290483 19.44375463 -10.46333925 0.14053283 5.45274366 6.55992460 0.00000000 0.00000000 0.00000000 0.35922559 2.83312827 -0.08400122 -0.14935279 0.00000000 -1.09738524 0.00000000 2.38400000 433.00000000 10_1IQ12.PDB 1.80337000 -9.79284616 -3.51250000 -7.47500000 -9.89490183 -2.30260777 15.87384604 -11.58805721 0.04979164 3.36218818 6.17285685 0.00000000 0.00000000 0.00000000 0.47570699 2.66117387 0.00730018 -0.07734367 0.00000000 -0.88412556 0.00000000 2.38400000 433.00000000 11_1IQ12.PDB 1.28706000 -7.61346065 -4.40000000 -6.85000000 -8.79047580 -2.52844070 16.52636969 -10.37747613 0.08921605 3.99598593 5.68074300 0.00000000 0.00000000 0.00000000 0.43335613 2.42554414 -0.07782049 -0.14895161 0.00000000 -1.16596673 0.00000000 2.38400000 433.00000000 12_1IQ12.PDB 1.44590000 -7.63074096 -3.51250000 -9.17500000 -9.61542228 -2.51111630 17.35669573 -10.94212905 0.16353378 4.84318050 6.59891273 0.00000000 0.00000000 0.00000000 0.37642137 2.72940277 -0.07418193 -0.06689220 0.00000000 -1.07224330 0.00000000 2.38400000 433.00000000 13_1IQ12.PDB 1.38516000 -10.24971538 -3.51250000 -7.47500000 -10.09979583 -2.77690990 15.82901911 -12.38276256 0.25157853 4.21307897 6.23884583 0.00000000 0.00000000 0.00000000 0.41969320 2.68857491 0.00127355 0.02138324 0.00000000 -0.97761950 0.00000000 2.38400000 433.00000000 14_1IQ12.PDB 1.38947000 -9.16344447 -3.51250000 -5.70000000 -9.43154007 -2.05757697 14.46668796 -11.94075304 0.02484936 2.88087575 6.76790519 0.00000000 0.00000000 0.00000000 0.39030602 2.39614183 0.00137160 -0.24770020 0.00000000 -0.80537008 0.00000000 2.38400000 433.00000000 15_1IQ12.PDB 1.76889000 -10.05633250 -5.25000000 -10.53750000 -9.68612200 -2.35946545 18.19464183 -10.80888287 0.09568517 4.90797619 6.28148131 0.00000000 0.00000000 0.00000000 0.50129649 2.52480798 -0.07918363 -0.17426955 0.00000000 -1.14198998 0.00000000 2.38400000 433.00000000 16_1IQ12.PDB 1.90270000 -11.53364509 -3.51250000 -7.06250000 -10.08556158 -2.10698344 15.90101059 -12.14703926 0.12177306 2.58157725 5.42019969 0.00000000 0.00000000 0.00000000 0.44032808 2.48171218 -0.00190257 -0.18969037 0.00000000 -0.89235653 0.00000000 2.38400000 433.00000000 17_1IQ12.PDB 1.30106000 -9.33003236 -4.40000000 -10.06250000 -9.31485840 -2.58965231 16.58431633 -10.79060431 0.19550015 5.52237420 6.62984790 0.00000000 0.00000000 0.00000000 0.51804283 2.65256782 -0.01917585 -0.45238283 0.00000000 -1.15094005 0.00000000 2.38400000 433.00000000 18_1IQ12.PDB 1.53264000 -11.19274971 -3.51250000 -6.51250000 -9.94609945 -2.18180121 16.27291492 -12.27736101 0.10425512 2.02536588 5.26714158 0.00000000 0.00000000 0.00000000 0.44382070 2.75578662 -0.00254240 -0.09053450 0.00000000 -0.78290934 0.00000000 2.38400000 433.00000000 19_1IQ12.PDB 1.35057000 -10.46990718 -5.25000000 -10.53750000 -9.57364902 -2.30506830 18.30244783 -10.66352333 0.34959064 4.68832179 5.50607721 0.00000000 0.00000000 0.00000000 0.39028077 2.47310788 -0.08703448 -0.14921329 0.00000000 -1.14063701 0.00000000 2.38400000 433.00000000 20_1IQ12.PDB 2.73400000 -9.91061295 -5.21250000 -10.53750000 -10.32447809 -2.70538361 19.53025535 -11.22530558 0.17303162 4.87190883 6.16678651 0.00000000 0.00000000 0.00000000 0.68159005 2.82978773 -0.10901741 -0.08650040 0.00000000 -1.13350022 0.00000000 2.38400000 433.00000000 21_1IQ12.PDB 1.56817000 -11.36315389 -3.51250000 -8.87500000 -10.46046622 -2.38334185 16.52807436 -12.45701210 0.19201332 4.33700510 5.70462694 0.00000000 0.00000000 0.00000000 0.48075183 2.71107083 0.00164180 0.00540282 0.00000000 -0.92434988 0.00000000 2.38400000 433.00000000 22_1IQ12.PDB 1.68041000 -9.24159839 -3.51250000 -5.32500000 -9.58118703 -2.12506845 14.64376509 -11.79452720 0.33916818 2.95290568 5.56194169 0.00000000 0.00000000 0.00000000 0.59559694 2.44102275 -0.00153886 -0.09897077 0.00000000 -0.89618367 0.00000000 2.38400000 433.00000000 23_1IQ12.PDB 1.31006000 -9.56120682 -4.40000000 -7.87500000 -9.44791882 -2.34270649 16.51909065 -11.37614924 0.06274846 3.99095331 6.27118676 0.00000000 0.00000000 0.00000000 0.37325286 2.49203591 -0.07906304 -0.08409887 0.00000000 -1.17350239 0.00000000 2.38400000 433.00000000 24_1IQ12.PDB 1.46198000 -9.99311418 -3.51250000 -5.32500000 -9.63094515 -2.12207462 14.16809521 -12.49779865 0.09188551 3.01388794 6.32656240 0.00000000 0.00000000 0.00000000 0.45298071 2.42804459 0.00738194 -0.04540564 0.00000000 -0.92018382 0.00000000 2.38400000 433.00000000 25_1IQ12.PDB 2.07152000 -9.43339894 -2.62500000 -7.91250000 -8.80060735 -2.70795260 15.71787905 -10.35995005 0.29941880 3.71529650 4.25204625 0.00000000 0.00000000 0.00000000 0.34750390 2.56042173 -0.12268056 -0.22073325 0.00000000 -1.01611962 0.00000000 2.38400000 433.00000000 26_1IQ12.PDB 1.58540000 -11.06660806 -3.51250000 -7.95000000 -10.28896701 -2.27476063 16.41853882 -12.31529870 0.14286457 3.37247420 5.73035013 0.00000000 0.00000000 0.00000000 0.54013827 2.77651463 -0.00029311 -0.01226749 0.00000000 -0.91688712 0.00000000 2.38400000 433.00000000 27_1IQ12.PDB 1.38770000 -10.14977519 -5.25000000 -8.76250000 -9.19222576 -2.32176402 16.81154815 -11.06066408 0.08694417 4.40668286 6.17674274 0.00000000 0.00000000 0.00000000 0.38706119 2.44847480 -0.08866437 -0.25430244 0.00000000 -1.08863363 0.00000000 2.38400000 433.00000000 28_1IQ12.PDB 2.08982000 -9.90904098 -4.40000000 -9.68750000 -9.42425729 -1.98741585 16.01257451 -11.17766081 0.30491886 5.47734186 5.85899425 0.00000000 0.00000000 0.00000000 0.54989448 2.85289941 -0.02521853 -0.36487999 0.00000000 -1.04583248 0.00000000 2.38400000 433.00000000 29_1IQ12.PDB 1.50898000 -8.74890855 -3.55000000 -9.55000000 -9.17391673 -2.39189438 15.88026249 -9.97081845 0.22658036 4.58290865 5.92937155 0.00000000 0.00000000 0.00000000 0.40940879 2.63807204 -0.00939572 0.01983912 0.00000000 -1.15125423 0.00000000 2.38400000 433.00000000 30_1IQ12.PDB 1.87206000 -10.22430141 -3.51250000 -5.32500000 -9.65048126 -2.12072126 14.38507711 -12.59975851 0.06675522 2.91543339 6.29920620 0.00000000 0.00000000 0.00000000 0.42252674 2.50711769 0.00078908 -0.18536305 0.00000000 -0.92026505 0.00000000 2.38400000 433.00000000