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_1UKI2.PDB 4.89269000 -18.47003569 -2.62500000 -10.32500000 -11.77177828 -2.93167711 14.14914738 -15.44005419 1.34607229 6.70817160 4.14859303 0.00000000 0.00000000 0.00000000 1.14374876 1.17337119 -0.00112678 -0.57774947 0.00000000 -2.29338292 0.00000000 2.38400000 338.00000000 2_1UKI2.PDB 4.44974000 -17.03643647 -2.62500000 -8.58750000 -11.50661053 -2.89535660 13.31690777 -15.08900917 1.35997614 6.53835766 3.72394955 0.00000000 0.00000000 0.00000000 1.52964573 1.16763788 -0.00115156 -0.48478188 0.00000000 -2.31586355 0.00000000 2.38400000 338.00000000 3_1UKI2.PDB 4.44372000 -17.94681449 -2.62500000 -8.25000000 -11.75982263 -3.32195521 13.64862219 -15.63078714 1.40466497 6.71825059 3.86898406 0.00000000 0.00000000 0.00000000 1.07424025 1.15065599 -0.00111930 -0.48986872 0.00000000 -2.58302354 0.00000000 2.38400000 338.00000000 4_1UKI2.PDB 4.43509000 -18.00618127 -2.62500000 -8.25000000 -11.70730143 -3.36136353 13.62880741 -15.38279960 1.19537154 6.81137737 3.82190254 0.00000000 0.00000000 0.00000000 0.98665590 1.16729426 -0.00115619 -0.47978401 0.00000000 -2.64289128 0.00000000 2.38400000 338.00000000 5_1UKI2.PDB 4.49578000 -16.39846152 -1.77500000 -7.70000000 -11.80253849 -3.81468434 13.67079081 -15.45159587 1.33168641 6.66847735 4.81611439 0.00000000 0.00000000 0.00000000 1.23771608 1.11969192 -0.00053785 -0.70572160 0.00000000 -2.87316842 0.00000000 2.38400000 338.00000000 6_1UKI2.PDB 4.56803000 -17.90233679 -2.62500000 -8.25000000 -11.88093651 -3.39845052 13.78198521 -15.46833988 1.26267683 6.66708201 3.93546586 0.00000000 0.00000000 0.00000000 1.42067311 1.16696801 -0.00115068 -0.67583590 0.00000000 -2.67050631 0.00000000 2.38400000 338.00000000 7_1UKI2.PDB 4.51766000 -16.72806932 -1.77500000 -8.07500000 -12.07771319 -4.02143941 14.22553390 -15.55413396 1.34966241 6.96977289 4.81005645 0.00000000 0.00000000 0.00000000 0.94367054 1.11989064 -0.00063221 -0.69592968 0.00000000 -2.82691706 0.00000000 2.38400000 338.00000000 8_1UKI2.PDB 4.41156000 -17.95191529 -1.77500000 -9.43750000 -12.05131234 -4.02596087 14.34131368 -15.48256279 1.45480720 6.72890328 4.74451047 0.00000000 0.00000000 0.00000000 0.94659791 1.13362699 -0.00064269 -0.62429289 0.00000000 -2.77077625 0.00000000 2.38400000 338.00000000 9_1UKI2.PDB 4.50033000 -18.24596967 -1.77500000 -9.43750000 -11.73415243 -3.95250274 13.76209523 -15.55445764 1.13318931 6.87326895 4.99992540 0.00000000 0.00000000 0.00000000 0.87472829 1.12027831 -0.00066742 -0.65095016 0.00000000 -2.78394646 0.00000000 2.38400000 338.00000000 10_1UKI2.PDB 4.54073000 -16.99673938 -1.77500000 -9.47500000 -11.91577324 -3.27477326 13.71427240 -15.62237355 1.39627419 6.72722222 4.99814587 0.00000000 0.00000000 0.00000000 1.26021128 1.17153228 -0.00112765 -0.55027085 0.00000000 -2.47854678 0.00000000 2.38400000 338.00000000 11_1UKI2.PDB 4.49222000 -17.34564852 -1.77500000 -9.77500000 -11.98555648 -3.71063252 14.37024207 -15.44551513 1.41738595 6.82392780 4.71492763 0.00000000 0.00000000 0.00000000 1.31358763 1.14200748 -0.00068012 -0.61508211 0.00000000 -2.67825322 0.00000000 2.38400000 338.00000000 12_1UKI2.PDB 4.52419000 -17.44166580 -1.77500000 -9.43750000 -11.98492540 -3.71751416 14.16589929 -15.67948496 1.36460290 6.78640610 4.90194550 0.00000000 0.00000000 0.00000000 1.07376305 1.13449339 -0.00119045 -0.56390905 0.00000000 -2.57475864 0.00000000 2.38400000 338.00000000 13_1UKI2.PDB 4.41037000 -17.23227949 -2.62500000 -8.25000000 -11.88049934 -2.97415115 13.74935677 -15.66415898 1.38757850 6.64032087 4.00811840 0.00000000 0.00000000 0.00000000 1.21188440 1.19632674 -0.00115071 -0.46231713 0.00000000 -2.37226113 0.00000000 2.38400000 338.00000000 14_1UKI2.PDB 4.49254000 -17.55017544 -1.77500000 -9.43750000 -11.87353315 -3.58670904 13.90119396 -15.42072249 1.07122244 6.79144614 5.14868879 0.00000000 0.00000000 0.00000000 0.86488786 1.14059295 -0.00063772 -0.68694612 0.00000000 -2.54656611 0.00000000 2.38400000 338.00000000 15_1UKI2.PDB 4.43994000 -17.56768145 -2.62500000 -8.58750000 -11.65305199 -2.81181106 13.38416998 -15.40716706 1.38666210 6.43399795 3.89519259 0.00000000 0.00000000 0.00000000 1.11661613 1.19011163 -0.00114800 -0.48419103 0.00000000 -2.21445105 0.00000000 2.38400000 338.00000000 16_1UKI2.PDB 4.45287000 -17.64209766 -1.77500000 -9.43750000 -12.39286329 -3.99806659 14.94001617 -15.99807221 1.23168722 6.87377060 4.94116377 0.00000000 0.00000000 0.00000000 1.59159835 1.15068749 -0.00117628 -0.82030626 0.00000000 -2.79734914 0.00000000 2.38400000 338.00000000 17_1UKI2.PDB 4.66882000 -18.92442102 -1.77500000 -10.92500000 -11.70092653 -3.59837741 13.79980669 -15.34858984 1.23429661 6.56449456 4.74497280 0.00000000 0.00000000 0.00000000 1.24981288 1.14347545 -0.00118881 -0.66792964 0.00000000 -2.50079234 0.00000000 2.38400000 338.00000000 18_1UKI2.PDB 4.54596000 -15.09428289 -0.88750000 -6.85000000 -11.86351816 -3.99019491 13.99260318 -15.36214372 1.37047792 6.08535110 4.83593879 0.00000000 0.00000000 0.00000000 1.15567319 1.09557149 -0.00053279 -0.60178082 0.00000000 -2.97865668 0.00000000 2.38400000 338.00000000 19_1UKI2.PDB 4.51459000 -15.71560912 -1.77500000 -7.70000000 -12.26128253 -3.65017133 14.43561005 -15.87026217 1.27377405 6.70349415 5.35106089 0.00000000 0.00000000 0.00000000 0.92252704 1.12421455 -0.00064416 -0.49392598 0.00000000 -2.65078913 0.00000000 2.38400000 338.00000000 20_1UKI2.PDB 4.67764000 -17.61717534 -1.77500000 -9.81250000 -12.05518100 -3.68321502 14.18649157 -15.59389283 1.40317762 7.11622961 4.85554390 0.00000000 0.00000000 0.00000000 1.01177939 1.12649914 -0.00063517 -0.61206159 0.00000000 -2.65791182 0.00000000 2.38400000 338.00000000 21_1UKI2.PDB 4.42173000 -17.51127035 -1.77500000 -9.43750000 -12.05293201 -3.75842730 14.24471553 -15.70572583 1.30835526 6.73442686 4.96178248 0.00000000 0.00000000 0.00000000 1.08357821 1.13321673 -0.00064700 -0.49602874 0.00000000 -2.61786782 0.00000000 2.38400000 338.00000000 22_1UKI2.PDB 4.41818000 -17.08920624 -2.62500000 -8.58750000 -11.29092092 -2.57861245 12.94857165 -14.94510498 1.43540452 6.39239041 3.76723904 0.00000000 0.00000000 0.00000000 1.09663382 1.16542706 -0.00114771 -0.54527089 0.00000000 -2.15588872 0.00000000 2.38400000 338.00000000 23_1UKI2.PDB 4.43855000 -17.50496164 -1.77500000 -9.43750000 -12.16237456 -3.81223558 14.29914247 -15.79783941 1.25641018 6.71620710 4.87789034 0.00000000 0.00000000 0.00000000 1.62167069 1.16604951 -0.00068937 -0.65599511 0.00000000 -2.63464837 0.00000000 2.38400000 338.00000000 24_1UKI2.PDB 4.62563000 -18.02562872 -3.51250000 -10.53750000 -11.12662617 -2.23842499 13.20932921 -14.92525590 1.13971091 7.45995723 3.99327362 0.00000000 0.00000000 0.00000000 1.03989641 1.14908394 -0.00107608 -0.62262426 0.00000000 -1.90378871 0.00000000 2.38400000 338.00000000 25_1UKI2.PDB 4.52911000 -17.26890491 -1.77500000 -9.43750000 -12.24574013 -3.27572539 13.67410020 -16.42574187 2.75757128 6.23443221 4.60679075 0.00000000 0.00000000 0.00000000 1.37820275 1.15027663 -0.00065264 -0.59480486 0.00000000 -2.16483720 0.00000000 2.38400000 338.00000000 26_1UKI2.PDB 4.52071000 -16.29290686 -1.77500000 -9.77500000 -12.58941822 -3.40104666 14.33292619 -16.70137530 3.60369968 6.23789072 4.90274030 0.00000000 0.00000000 0.00000000 1.67515621 1.17789040 -0.00118583 -0.61799650 0.00000000 -2.18429745 0.00000000 2.38400000 338.00000000 27_1UKI2.PDB 4.52626000 -15.52009309 -2.66250000 -8.25000000 -11.45527017 -3.18399409 13.67107946 -15.15148180 1.35791461 7.50151693 4.62025558 0.00000000 0.00000000 0.00000000 1.00220501 1.09643874 -0.00058276 -0.62852005 0.00000000 -2.34071581 0.00000000 2.38400000 338.00000000 28_1UKI2.PDB 4.48301000 -17.64307415 -1.77500000 -9.43750000 -11.75811642 -3.52284997 13.52589422 -15.38976291 1.29891653 6.44757023 4.81938678 0.00000000 0.00000000 0.00000000 1.35658304 1.12354671 -0.00063809 -0.74504546 0.00000000 -2.46251210 0.00000000 2.38400000 338.00000000 29_1UKI2.PDB 4.42892000 -18.45967380 -2.62500000 -8.25000000 -11.86018803 -3.80351304 13.75812125 -15.54531837 1.24836987 6.73598859 3.95293695 0.00000000 0.00000000 0.00000000 1.41920751 1.18094375 -0.00111040 -0.66290466 0.00000000 -2.82626347 0.00000000 2.38400000 338.00000000 30_1UKI2.PDB 4.57053000 -15.03387051 -1.77500000 -7.36250000 -11.49646410 -3.25039082 13.38101329 -15.29438241 1.19043068 6.47275838 4.62489583 0.00000000 0.00000000 0.00000000 1.26420471 1.14696714 -0.00066398 -0.49731001 0.00000000 -2.29046209 0.00000000 2.38400000 338.00000000