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_1TH13.PDB -79.42753954 -457.46250000 -176.73750000 -650.65987518 -28.08465796 852.25616624 -797.37754183 17.67655502 339.77698885 796.37984019 0.00000000 0.00000000 1.12405600 34.92114074 99.85564509 -0.96711968 -2.42180810 0.00000000 -7.85128383 0.00000000 0.00000000 534.00000000 2_1TH13.PDB -80.74158579 -457.71250000 -182.20000000 -651.26816319 -26.71296701 853.50684198 -797.90589845 18.06108809 341.77283981 796.64711778 0.00000000 0.00000000 1.12405600 35.12026347 100.26318524 -0.97511589 -2.37180140 0.00000000 -7.82734699 0.00000000 0.00000000 534.00000000 3_1TH13.PDB -78.56256813 -456.82500000 -177.57500000 -650.25094940 -26.32843130 848.52906774 -797.96400175 17.53228848 340.76810870 796.86002237 0.00000000 0.00000000 1.12405600 35.07360041 100.08417714 -0.98503761 -2.23745712 0.00000000 -6.28383466 0.00000000 0.00000000 534.00000000 4_1TH13.PDB -79.11384167 -456.82500000 -179.23750000 -651.27307928 -26.12448802 850.93414433 -799.02832821 18.07123347 341.20217836 796.97986339 0.00000000 0.00000000 1.12405600 34.78852638 100.02388296 -1.01145376 -2.38159132 0.00000000 -6.33240302 0.00000000 0.00000000 534.00000000 5_1TH13.PDB -79.44335754 -458.60000000 -183.38750000 -651.15477855 -25.89055684 854.48168661 -797.76527356 18.16782509 342.02581038 797.72828347 0.00000000 0.00000000 1.12405600 34.95118583 100.17794004 -0.97816284 -2.63988347 0.00000000 -7.50604965 0.00000000 0.00000000 534.00000000 6_1TH13.PDB -80.93092808 -456.82500000 -180.36250000 -651.10928649 -28.98575330 853.06641968 -798.05009246 18.00089182 340.72480237 797.77093761 0.00000000 0.00000000 1.12405600 34.78062292 100.03136182 -0.90416319 -2.63065360 0.00000000 -7.53120944 0.00000000 0.00000000 534.00000000 7_1TH13.PDB -74.82988052 -455.93750000 -171.93750000 -651.74719573 -26.87847457 851.43713562 -799.44863745 17.67481722 339.31579695 795.88042497 0.00000000 0.00000000 1.12405600 34.78532090 100.27514687 -0.95183175 -2.11896027 0.00000000 -6.02733240 0.00000000 0.00000000 534.00000000 8_1TH13.PDB -80.68862209 -459.48750000 -178.08750000 -651.35200924 -25.02692367 850.97204632 -798.95518269 17.50763657 340.76612876 797.45387434 0.00000000 0.00000000 1.12405600 34.57873628 99.91250588 -0.97618535 -2.61933230 0.00000000 -6.58646712 0.00000000 0.00000000 534.00000000 9_1TH13.PDB -76.95094638 -457.46250000 -174.70000000 -650.78744219 -26.38616029 849.22638180 -798.88483931 18.53116511 339.79946808 796.87218486 0.00000000 0.00000000 1.12405600 35.35385114 100.32735150 -0.95839413 -2.43049133 0.00000000 -6.24822612 0.00000000 0.00000000 534.00000000 10_1TH13.PDB -78.19469539 -456.82500000 -175.33750000 -650.17006207 -26.54794742 848.21053198 -797.65951651 18.30231475 339.23972580 796.77201407 0.00000000 0.00000000 1.12405600 34.44700355 100.05809071 -0.97416209 -2.46857638 0.00000000 -6.30757708 0.00000000 0.00000000 534.00000000 11_1TH13.PDB -83.77810028 -459.45000000 -178.20000000 -651.51050043 -26.70552583 851.17155173 -798.88165838 17.52854170 340.39684578 796.67712649 0.00000000 0.00000000 1.12405600 35.03051749 100.22021940 -0.95855298 -2.40370461 0.00000000 -7.59679724 0.00000000 0.00000000 534.00000000 12_1TH13.PDB -78.22760827 -455.93750000 -178.92500000 -651.07304442 -25.92905322 850.28787407 -798.03051062 17.86886983 340.89740869 796.34242232 0.00000000 0.00000000 1.12405600 34.62050527 100.30650440 -0.97789390 -2.33807585 0.00000000 -6.15766644 0.00000000 0.00000000 534.00000000 13_1TH13.PDB -78.17159311 -456.82500000 -175.46250000 -653.39887295 -25.46949375 852.55105854 -801.25608833 17.79810430 341.03157392 796.53187760 0.00000000 0.00000000 1.12405600 34.64518934 100.55195331 -0.98262516 -2.12608070 0.00000000 -6.33279192 0.00000000 0.00000000 534.00000000 14_1TH13.PDB -82.15731267 -457.71250000 -178.16250000 -652.26347074 -27.34288809 852.61804778 -799.93214303 17.73546593 341.10729721 796.67827200 0.00000000 0.00000000 1.12405600 34.59536345 99.94915847 -0.95738072 -2.22141665 0.00000000 -7.42351582 0.00000000 0.00000000 534.00000000 15_1TH13.PDB -80.43681425 -457.71250000 -177.62500000 -651.09942843 -26.67218354 851.41441352 -798.24652586 18.24323423 340.14315659 795.70885307 0.00000000 0.00000000 1.12405600 34.84469513 99.98997293 -0.97370338 -2.41708787 0.00000000 -7.16879372 0.00000000 0.00000000 534.00000000 16_1TH13.PDB -77.79178860 -457.71250000 -177.22500000 -651.53535588 -26.72391017 851.80527911 -798.61465469 17.79289490 340.28112238 797.83105019 0.00000000 0.00000000 1.12405600 34.60267953 100.05615732 -0.96944281 -2.22015948 0.00000000 -6.22784768 0.00000000 0.00000000 534.00000000 17_1TH13.PDB -80.40450107 -456.82500000 -174.86250000 -652.50675047 -29.21021721 850.06116045 -800.57721843 18.70797981 342.62283897 796.04834352 0.00000000 0.00000000 1.12405600 34.72522668 100.29646216 -0.96673256 -2.06303244 0.00000000 -6.68265540 0.00000000 0.00000000 534.00000000 18_1TH13.PDB -79.36031534 -457.71250000 -177.32500000 -652.55045612 -25.38113966 850.96496771 -800.75107627 17.81891405 340.73492753 798.19491083 0.00000000 0.00000000 1.12405600 35.08099046 100.34179151 -0.95873377 -2.42841691 0.00000000 -6.17175919 0.00000000 0.00000000 534.00000000 19_1TH13.PDB -77.54836436 -456.82500000 -175.83750000 -650.49832618 -26.35161977 848.57917511 -798.27179327 17.68276995 339.59509811 796.82465224 0.00000000 0.00000000 1.12405600 35.94762426 100.47511850 -0.96857992 -2.13551597 0.00000000 -6.41340493 0.00000000 0.00000000 534.00000000 20_1TH13.PDB -83.48879662 -459.48750000 -179.43750000 -652.05100177 -26.20357605 851.63408244 -800.16109809 17.28015123 341.64878429 797.65292828 0.00000000 0.00000000 1.12405600 35.04627612 100.11858575 -0.95922662 -2.59206986 0.00000000 -6.98310260 0.00000000 0.00000000 534.00000000 21_1TH13.PDB -76.95718789 -456.82500000 -174.56250000 -651.38802309 -26.76786288 851.53009312 -798.65711589 17.57536114 340.33250103 795.64521986 0.00000000 0.00000000 1.12405600 35.14527720 100.11683728 -0.94283320 -2.18166090 0.00000000 -6.98470029 0.00000000 0.00000000 534.00000000 22_1TH13.PDB -78.71262632 -458.60000000 -178.41250000 -651.52286778 -28.12537154 851.67715970 -798.67163079 18.86562320 340.88646568 798.03981305 0.00000000 0.00000000 1.12405600 35.29456187 100.21400771 -0.94934618 -2.02462263 0.00000000 -6.29396689 0.00000000 0.00000000 534.00000000 23_1TH13.PDB -78.94185398 -456.82500000 -176.13750000 -652.38020478 -27.12743840 850.83163561 -799.77658945 18.32923546 339.95372768 797.72905184 0.00000000 0.00000000 1.12405600 35.05145737 100.06849839 -0.95939920 -2.31912829 0.00000000 -6.43575782 0.00000000 0.00000000 534.00000000 24_1TH13.PDB -78.21535770 -459.45000000 -177.10000000 -650.32082089 -25.60871527 851.51997476 -797.81999961 17.54201290 340.60115741 796.94070715 0.00000000 0.00000000 1.12405600 34.28866440 100.47766206 -0.97775041 -2.61249767 0.00000000 -6.34214648 0.00000000 0.00000000 534.00000000 25_1TH13.PDB -81.38520694 -456.82500000 -178.17500000 -652.07083232 -28.55832439 852.54048002 -799.92582575 18.44790375 342.04446191 795.14124656 0.00000000 0.00000000 1.12405600 35.34037313 100.16516375 -0.97264049 -2.01932843 0.00000000 -7.47677694 0.00000000 0.00000000 534.00000000 26_1TH13.PDB -80.14475911 -457.46250000 -178.37500000 -653.50414970 -27.66254274 853.86950507 -801.66219375 18.69474338 342.17756072 797.97978840 0.00000000 0.00000000 1.12405600 34.98252791 99.86322817 -0.95359283 -2.30715415 0.00000000 -7.04580741 0.00000000 0.00000000 534.00000000 27_1TH13.PDB -77.35002289 -457.71250000 -176.61250000 -650.70220091 -27.23116296 852.72887038 -797.33306061 18.10983619 339.40197445 797.28826570 0.00000000 0.00000000 1.12405600 34.50196291 100.42697627 -0.94600857 -2.33927834 0.00000000 -7.62827713 0.00000000 0.00000000 534.00000000 28_1TH13.PDB -78.29563524 -456.82500000 -177.86250000 -652.00429056 -26.79810702 850.43660732 -800.23795725 18.03976510 342.60469647 797.07508915 0.00000000 0.00000000 1.12405600 35.80979883 100.26242743 -0.97088382 -2.38477772 0.00000000 -6.30213175 0.00000000 0.00000000 534.00000000 29_1TH13.PDB -77.74906315 -458.60000000 -176.47500000 -652.91797681 -26.53318896 851.57309523 -801.04886618 18.89688227 340.92316711 797.31402366 0.00000000 0.00000000 1.12405600 38.66109631 100.20963804 -0.95020645 -2.26992848 0.00000000 -7.44621684 0.00000000 0.00000000 534.00000000 30_1TH13.PDB -79.91990701 -457.71250000 -179.22500000 -651.33644281 -26.10390478 850.65892705 -798.84399412 18.05961301 341.15193176 796.06023259 0.00000000 0.00000000 1.12405600 35.66199533 100.55563837 -0.94584913 -2.41006508 0.00000000 -6.05890683 0.00000000 0.00000000 534.00000000