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_1DS52.PDB 8.91148000 -13.09343103 -2.31250000 -3.56250000 -9.45742953 -3.48933295 11.40348061 -12.78320193 1.96207010 3.87156861 3.37158778 0.00000000 0.00000000 0.00000000 1.25170620 3.01199995 0.00000000 -0.45467590 0.00000000 -2.89420401 0.00000000 2.38400000 346.00000000 2_1DS52.PDB 6.79125000 -11.47756591 -1.42500000 -4.45000000 -8.89407849 -3.52945236 10.07836177 -12.34492587 1.83099555 4.73861532 4.44947443 0.00000000 0.00000000 0.00000000 1.24322247 3.10682257 0.00000000 -0.44583743 0.00000000 -2.72894129 0.00000000 2.38400000 346.00000000 3_1DS52.PDB 8.87754000 -14.11213372 -1.42500000 -4.78750000 -8.97373898 -3.64892002 10.14523454 -12.47396136 2.06243519 4.53448572 2.08413901 0.00000000 0.00000000 0.00000000 1.35344896 3.11234635 0.00000000 -0.23261467 0.00000000 -2.75014211 0.00000000 2.38400000 346.00000000 4_1DS52.PDB 8.57741000 -13.57264508 -2.31250000 -5.33750000 -9.00262947 -3.23860455 11.03368174 -12.50939275 1.96403356 4.82557443 3.34075704 0.00000000 0.00000000 0.00000000 1.08530065 3.23101878 0.00000000 -0.41587752 0.00000000 -3.00548821 0.00000000 2.38400000 346.00000000 5_1DS52.PDB 7.88076000 -13.45535290 -2.12500000 -5.15000000 -9.32462279 -3.62214875 11.36224993 -12.73602989 2.22407308 4.98061534 3.11806098 0.00000000 0.00000000 0.00000000 1.20118367 2.98858274 0.00000000 -0.47228428 0.00000000 -2.91145020 0.00000000 2.38400000 346.00000000 6_1DS52.PDB 7.80568000 -12.71233829 -2.31250000 -5.33750000 -9.23331947 -3.50420813 11.23199033 -12.55590809 2.02816629 4.89275126 4.38077274 0.00000000 0.00000000 0.00000000 1.35413850 2.98093712 0.00000000 -0.81817414 0.00000000 -2.83854759 0.00000000 2.38400000 346.00000000 7_1DS52.PDB 7.43863000 -10.22439724 -2.31250000 -3.56250000 -8.96813698 -3.05251109 10.78246140 -12.42597890 1.99365420 4.26498765 5.01940888 0.00000000 0.00000000 0.00000000 1.05644637 3.12064845 0.00000000 -0.17976317 0.00000000 -2.83996559 0.00000000 2.38400000 346.00000000 8_1DS52.PDB 9.03759000 -14.51935268 -2.31250000 -5.00000000 -9.81012133 -3.56842501 10.67971223 -14.41646448 3.32761005 5.32147618 3.26637385 0.00000000 0.00000000 0.00000000 1.31658661 3.10128799 0.00000000 -0.30343949 0.00000000 -3.02016129 0.00000000 2.38400000 346.00000000 9_1DS52.PDB 9.71120000 -14.46208034 -3.16250000 -6.22500000 -9.30442843 -3.36610765 11.47560001 -12.48235767 1.83478861 5.91488260 2.67395911 0.00000000 0.00000000 0.00000000 1.35824156 3.03671883 0.00000000 -0.64074212 0.00000000 -2.53841635 0.00000000 2.38400000 346.00000000 10_1DS52.PDB 7.33293000 -12.97474496 -2.31250000 -3.56250000 -9.44630005 -3.45457244 11.32827068 -12.82557181 2.09645840 3.83020174 3.37025500 0.00000000 0.00000000 0.00000000 1.24291551 2.99302718 0.00000000 -0.31549237 0.00000000 -2.92590962 0.00000000 2.38400000 346.00000000 11_1DS52.PDB 7.40377000 -13.21713926 -2.31250000 -3.56250000 -9.76217507 -3.41351317 10.73992372 -14.22559821 2.11015508 4.40382172 4.86958582 0.00000000 0.00000000 0.00000000 1.16935642 3.17975360 0.00000000 -0.41151953 0.00000000 -2.82217605 0.00000000 2.38400000 346.00000000 12_1DS52.PDB 7.54453000 -11.58896794 -3.16250000 -5.85000000 -9.85916258 -2.94596993 12.63920096 -12.78263882 2.03245214 5.41279028 4.30650605 0.00000000 0.00000000 0.00000000 1.32836773 3.63881191 0.00000000 -0.26813111 0.00000000 -2.43988266 0.00000000 2.38400000 346.00000000 13_1DS52.PDB 7.63935000 -12.39724244 -1.23750000 -4.60000000 -9.06785092 -3.71839912 10.26317025 -12.48474982 1.92498307 4.79234026 3.44187751 0.00000000 0.00000000 0.00000000 1.41744271 2.95572827 0.00000000 -0.24254090 0.00000000 -2.88601548 0.00000000 2.38400000 346.00000000 14_1DS52.PDB 5.75359000 -12.17554312 -2.31250000 -7.11250000 -9.30289075 -3.00358177 11.53421935 -12.67518306 1.98796838 6.27440374 4.58061995 0.00000000 0.00000000 0.00000000 1.25110375 3.00062418 0.00000000 -0.63472114 0.00000000 -2.76248158 0.00000000 2.38400000 346.00000000 15_1DS52.PDB 7.54936000 -14.31209237 -2.12500000 -3.37500000 -9.37847575 -4.40101174 11.57901527 -12.92226958 2.00649770 4.10359007 3.08147259 0.00000000 0.00000000 0.00000000 1.14682766 3.14647795 0.00000000 -0.48693468 0.00000000 -3.54080391 0.00000000 2.38400000 346.00000000 16_1DS52.PDB 8.79401000 -14.76724624 -2.31250000 -1.78750000 -9.86439715 -4.04996062 10.84167078 -14.36745478 2.06054115 3.91261210 3.35792967 0.00000000 0.00000000 0.00000000 1.22437095 2.98588287 0.00000000 -0.29064529 0.00000000 -3.49191304 0.00000000 2.38400000 346.00000000 17_1DS52.PDB 8.94054000 -15.51267078 -2.31250000 -5.67500000 -9.76823166 -3.29496982 10.73918959 -14.15949808 2.57651546 5.06321599 3.32493893 0.00000000 0.00000000 0.00000000 1.42481299 3.01896153 0.00000000 -0.47736343 0.00000000 -2.95378075 0.00000000 2.38400000 346.00000000 18_1DS52.PDB 10.00650000 -12.99348511 -3.16250000 -2.67500000 -9.14462224 -3.20665939 10.88290740 -12.36163825 1.71620035 3.66710858 2.73813559 0.00000000 0.00000000 0.00000000 1.57757554 2.97064368 0.00000000 -0.28905944 0.00000000 -2.73593325 0.00000000 2.38400000 346.00000000 19_1DS52.PDB 9.69602000 -14.20376356 -3.16250000 -6.22500000 -9.18086617 -2.83718279 10.97759032 -12.48602217 2.11643663 5.43075289 2.43151101 0.00000000 0.00000000 0.00000000 1.42016094 3.03595973 0.00000000 -0.23691505 0.00000000 -2.45172916 0.00000000 2.38400000 346.00000000 20_1DS52.PDB 7.32987000 -14.35622131 -2.31250000 -5.33750000 -9.30956179 -3.74064333 11.38987682 -12.73457973 2.45373722 4.78911443 2.57083709 0.00000000 0.00000000 0.00000000 1.46181144 3.04041546 0.00000000 -0.55393301 0.00000000 -3.03288046 0.00000000 2.38400000 346.00000000 21_1DS52.PDB 6.03004000 -13.50771642 -2.12500000 -6.88750000 -9.36209889 -3.21436737 11.80596946 -12.65487541 1.92843007 5.30966137 3.97257403 0.00000000 0.00000000 0.00000000 1.19512976 3.62675643 0.00000000 -0.46744679 0.00000000 -3.00819266 0.00000000 2.38400000 346.00000000 22_1DS52.PDB 8.15975000 -12.04388877 -2.31250000 -1.78750000 -9.80349267 -3.83732193 10.92078210 -14.07285972 2.01482384 3.45563010 5.29923854 0.00000000 0.00000000 0.00000000 1.44197152 3.07604973 0.00000000 -0.20819057 0.00000000 -3.15446999 0.00000000 2.38400000 346.00000000 23_1DS52.PDB 7.64395000 -14.65946032 -1.83750000 -5.23750000 -10.24624615 -3.14957797 11.28394116 -14.47542949 2.10313661 5.83405652 2.74931857 0.00000000 0.00000000 0.00000000 1.24066384 3.31688190 0.00000000 -0.21957032 0.00000000 -2.70475310 0.00000000 2.38400000 346.00000000 24_1DS52.PDB 7.09934000 -12.72329669 -2.31250000 -3.56250000 -9.12395341 -3.66291436 10.98266499 -12.42843161 1.80113688 3.81703737 4.08110092 0.00000000 0.00000000 0.00000000 1.19380290 3.01568295 0.00000000 -0.24871460 0.00000000 -3.26002577 0.00000000 2.38400000 346.00000000 25_1DS52.PDB 7.25997000 -12.32866727 -2.97500000 -6.37500000 -9.27499227 -2.86049071 11.58346675 -12.44649710 1.81985296 6.52777241 2.86311504 0.00000000 0.00000000 0.00000000 1.32189372 2.97473573 0.00000000 -0.14357284 0.00000000 -2.36921523 0.00000000 2.38400000 346.00000000 26_1DS52.PDB 8.13672000 -11.54956338 -1.42500000 -2.33750000 -9.53419276 -3.54729962 9.73067832 -14.01350064 3.05212803 4.45836944 3.79485357 0.00000000 0.00000000 0.00000000 1.64369681 3.09054585 0.00000000 -0.40248762 0.00000000 -2.96930892 0.00000000 2.38400000 346.00000000 27_1DS52.PDB 7.65924000 -12.57775120 -3.16250000 -4.45000000 -9.25378631 -3.63864821 11.02849988 -12.55085826 1.79108218 4.91650663 4.09141068 0.00000000 0.00000000 0.00000000 1.53754356 3.09722152 0.00000000 -0.15349440 0.00000000 -2.73350694 0.00000000 2.38400000 346.00000000 28_1DS52.PDB 7.85655000 -9.18204246 -2.31250000 -5.00000000 -9.30619850 -3.34485185 10.98613869 -12.57950581 5.42129238 5.38816358 3.11655485 0.00000000 0.00000000 0.00000000 1.47244961 2.97489103 0.00000000 -0.57921252 0.00000000 -2.44437289 0.00000000 2.38400000 346.00000000 29_1DS52.PDB 8.59726000 -13.76515967 -2.31250000 -5.00000000 -9.24795588 -3.13802169 10.97862141 -12.78888514 2.08387767 4.29837632 3.14987621 0.00000000 0.00000000 0.00000000 1.05573675 3.07838897 0.00000000 -0.55897284 0.00000000 -2.28531247 0.00000000 2.38400000 346.00000000 30_1DS52.PDB 8.45390000 -12.58933691 -2.31250000 -4.62500000 -9.15005565 -1.63818739 9.99320643 -12.91499724 2.16844134 3.39924355 2.81914072 0.00000000 0.00000000 0.00000000 1.11161120 3.08530199 0.00000000 -0.00661115 0.00000000 -1.43362870 0.00000000 2.38400000 346.00000000