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_1OL52.PDB 5.70968000 -41.92085944 -9.46250000 -9.36250000 -23.43023926 -4.71995055 24.81451648 -32.29311775 1.65424248 6.08361295 5.56342086 0.00000000 0.00000000 0.00000000 1.79744548 2.36485338 0.00596155 -0.32007000 0.00000000 -2.25168168 0.00000000 2.38400000 280.00000000 2_1OL52.PDB 5.89654000 -41.60720088 -8.61250000 -8.13750000 -22.71410386 -3.30976487 22.79859016 -32.22197908 1.45484590 5.59091763 4.98130693 0.00000000 0.00000000 0.00000000 1.33185036 2.25637999 0.02575226 -0.20011719 0.00000000 -2.59449912 0.00000000 2.38400000 280.00000000 3_1OL52.PDB 6.51048000 -41.72700389 -10.10000000 -13.43750000 -23.66271981 -5.06811950 28.38740826 -31.82006675 1.38553512 6.75863960 7.07521874 0.00000000 0.00000000 0.00000000 1.53793429 2.22477645 0.08829738 -0.67044048 0.00000000 -2.20119074 0.00000000 2.38400000 280.00000000 4_1OL52.PDB 5.72712000 -38.72608963 -8.36250000 -13.43750000 -23.09024405 -3.99430592 26.73667827 -32.07860133 1.51781977 6.01138535 8.60478886 0.00000000 0.00000000 0.00000000 1.90329844 2.26959638 0.01083933 -0.72737340 0.00000000 -1.82037494 0.00000000 2.38400000 280.00000000 5_1OL52.PDB 5.66483000 -38.48891277 -9.46250000 -12.95000000 -23.38633791 -3.25958573 26.65074585 -32.23444847 1.83433687 7.25501687 8.72625082 0.00000000 0.00000000 0.00000000 1.45930863 2.39520151 0.03385920 -0.54065925 0.00000000 -2.61489964 0.00000000 2.38400000 280.00000000 6_1OL52.PDB 6.02047000 -42.84460691 -9.46250000 -15.97500000 -24.40683235 -3.11420770 28.84817448 -33.59479878 1.69018719 6.82457335 8.26158031 0.00000000 0.00000000 0.00000000 1.51942613 2.62836260 0.02875181 -1.11790566 0.00000000 -2.34605568 0.00000000 2.38400000 280.00000000 7_1OL52.PDB 5.99973000 -40.22447940 -10.10000000 -14.83750000 -23.86987044 -4.31263813 29.75975645 -32.19085743 1.66942822 7.26973767 7.47750103 0.00000000 0.00000000 0.00000000 1.53795147 2.43778082 0.08757676 -0.71603562 0.00000000 -1.99952939 0.00000000 2.38400000 280.00000000 8_1OL52.PDB 5.83839000 -38.40304556 -10.10000000 -16.27500000 -23.50058941 -3.02157610 28.17821719 -32.31325580 1.28684425 7.19076611 10.90868138 0.00000000 0.00000000 0.00000000 1.95592833 2.24027418 0.01856832 -0.70625898 0.00000000 -2.02537085 0.00000000 2.38400000 280.00000000 9_1OL52.PDB 6.42757000 -41.54981576 -10.10000000 -9.28750000 -23.38580706 -3.51609245 25.45700725 -32.41141654 1.60935025 5.84506902 5.57569529 0.00000000 0.00000000 0.00000000 1.63550245 2.36551971 0.09529100 -0.58488765 0.00000000 -2.48202732 0.00000000 2.38400000 280.00000000 10_1OL52.PDB 5.87283000 -41.08390829 -9.46250000 -14.57500000 -24.68680981 -4.24978391 29.15658417 -33.73757958 1.24376170 7.04544721 8.81658944 0.00000000 0.00000000 0.00000000 1.91883862 2.44462136 0.01103605 -0.58518185 0.00000000 -1.97931032 0.00000000 2.38400000 280.00000000 11_1OL52.PDB 5.86385000 -41.87386523 -9.46250000 -14.23750000 -24.45299059 -3.16624225 28.09709525 -33.91937029 1.35763734 6.66055193 8.67923498 0.00000000 0.00000000 0.00000000 1.98788695 2.44481006 0.03096523 -0.93820155 0.00000000 -2.51043222 0.00000000 2.38400000 280.00000000 12_1OL52.PDB 5.68414000 -38.53892306 -9.46250000 -13.86250000 -24.65972593 -2.47179668 28.29499697 -34.62211904 1.52127340 6.69055612 11.03926832 0.00000000 0.00000000 0.00000000 1.79265000 2.50393081 0.01715176 -1.00870824 0.00000000 -1.80746975 0.00000000 2.38400000 280.00000000 13_1OL52.PDB 6.15417000 -43.23101678 -10.10000000 -15.21250000 -24.46183727 -4.69666410 29.55417519 -32.94507979 2.35616883 7.41522794 6.23554876 0.00000000 0.00000000 0.00000000 1.99267558 2.40369594 0.09001009 -1.29993601 0.00000000 -2.15880601 0.00000000 2.38400000 280.00000000 14_1OL52.PDB 5.74727000 -40.43164285 -10.10000000 -14.46250000 -23.76124494 -2.89516019 28.16093020 -32.75448514 1.96476702 6.98565082 7.11842254 0.00000000 0.00000000 0.00000000 1.91761428 2.49467641 0.01353251 -0.57031163 0.00000000 -2.04885833 0.00000000 2.38400000 280.00000000 15_1OL52.PDB 5.91842000 -39.30657736 -10.10000000 -9.66250000 -23.22351087 -3.70161966 26.15170733 -31.95530140 2.04665341 6.19686862 6.92522632 0.00000000 0.00000000 0.00000000 1.42617176 2.28817783 0.11092483 -0.81197752 0.00000000 -2.70922019 0.00000000 2.38400000 280.00000000 16_1OL52.PDB 6.15547000 -40.96220582 -10.10000000 -14.50000000 -24.12192477 -3.10920614 29.69290264 -32.92874689 1.56364847 6.33356603 7.49801298 0.00000000 0.00000000 0.00000000 1.52757867 2.28424341 0.08757719 -0.85438621 0.00000000 -2.05122779 0.00000000 2.38400000 280.00000000 17_1OL52.PDB 6.60676000 -40.39572780 -9.25000000 -12.55000000 -23.20387163 -4.66002112 27.10570274 -31.44126849 1.81351223 6.43869872 6.70786877 0.00000000 0.00000000 0.00000000 1.57274984 2.31118849 0.09087523 -0.72838091 0.00000000 -2.29159317 0.00000000 2.38400000 280.00000000 18_1OL52.PDB 6.00111000 -41.15094958 -10.10000000 -14.50000000 -24.72060710 -3.07227033 29.88459684 -34.17683897 2.33746556 7.84989796 6.60340041 0.00000000 0.00000000 0.00000000 1.91734706 2.44153564 0.09854299 -1.05449112 0.00000000 -2.21799290 0.00000000 2.38400000 280.00000000 19_1OL52.PDB 5.88351000 -43.27304905 -10.10000000 -13.10000000 -23.63438375 -3.55372078 28.32563442 -32.14216097 1.08787220 6.26132848 5.43876421 0.00000000 0.00000000 0.00000000 1.67525348 2.31939019 0.11692656 -0.82396340 0.00000000 -2.82459950 0.00000000 2.38400000 280.00000000 20_1OL52.PDB 6.20329000 -40.50707483 -9.46250000 -11.10000000 -23.80914257 -4.45191295 26.32428161 -32.31462858 2.10091243 6.13364378 7.35486213 0.00000000 0.00000000 0.00000000 1.68912637 2.35461665 0.01305763 -0.60671466 0.00000000 -2.37806002 0.00000000 2.38400000 280.00000000 21_1OL52.PDB 5.82506000 -42.68703821 -10.10000000 -15.21250000 -24.05234838 -4.45729872 30.40610896 -32.14112925 1.59434386 6.61817476 6.38678551 0.00000000 0.00000000 0.00000000 1.60138572 2.42770207 0.09239710 -1.11705861 0.00000000 -2.30589917 0.00000000 2.38400000 280.00000000 22_1OL52.PDB 5.68354000 -39.97554626 -9.46250000 -10.80000000 -23.58078029 -2.55504643 24.40565796 -33.68203302 1.30108889 6.89689747 8.48129126 0.00000000 0.00000000 0.00000000 1.67924854 2.31829115 0.01901359 -0.60854849 0.00000000 -2.06983574 0.00000000 2.38400000 280.00000000 23_1OL52.PDB 5.79687000 -40.55612593 -10.10000000 -10.03750000 -23.20576053 -3.96099111 26.03766060 -31.82769355 1.80776857 6.40222300 7.54614571 0.00000000 0.00000000 0.00000000 1.38578106 2.26320810 0.11419255 -1.57843229 0.00000000 -3.13951994 0.00000000 2.38400000 280.00000000 24_1OL52.PDB 5.71020000 -39.33737981 -9.46250000 -12.46250000 -23.81404111 -2.94716259 27.70895872 -32.83737280 2.23573436 6.16057235 8.19170226 0.00000000 0.00000000 0.00000000 1.50140457 2.52120869 0.03130061 -1.07026523 0.00000000 -2.57321095 0.00000000 2.38400000 280.00000000 25_1OL52.PDB 5.62916000 -34.73407025 -10.10000000 -10.37500000 -23.37821693 -4.78448991 27.92041491 -31.52552864 2.23093309 7.21639730 9.65369912 0.00000000 0.00000000 0.00000000 1.43202642 2.37521896 0.01134915 -0.67231878 0.00000000 -2.36333598 0.00000000 2.38400000 280.00000000 26_1OL52.PDB 6.13398000 -39.24228782 -10.10000000 -15.21250000 -23.21856621 -3.56103244 28.13784066 -31.66049403 2.00852356 6.42940315 7.56224014 0.00000000 0.00000000 0.00000000 1.68228834 2.29782514 0.00485167 -0.33746873 0.00000000 -0.97737394 0.00000000 2.38400000 280.00000000 27_1OL52.PDB 5.92098000 -43.28057211 -10.10000000 -11.60000000 -23.90679878 -5.06360758 27.55282541 -32.48482865 1.49104067 6.57360771 5.91465039 0.00000000 0.00000000 0.00000000 1.86261012 2.35319266 0.08715612 -1.16154017 0.00000000 -2.44568736 0.00000000 2.38400000 280.00000000 28_1OL52.PDB 5.79392000 -37.44423771 -9.46250000 -12.46250000 -23.59187900 -2.80154293 26.88469408 -32.53398556 1.81028325 6.13269733 10.08435872 0.00000000 0.00000000 0.00000000 1.57987708 2.42280504 0.02792122 -0.68528286 0.00000000 -2.42637905 0.00000000 2.38400000 280.00000000 29_1OL52.PDB 5.93852000 -42.58365234 -10.10000000 -14.87500000 -23.99031839 -2.54029377 28.68065615 -33.07285853 1.23714691 6.78580863 5.84315696 0.00000000 0.00000000 0.00000000 1.86951453 2.44906401 0.11017306 -0.93749063 0.00000000 -1.59414726 0.00000000 2.38400000 280.00000000 30_1OL52.PDB 6.35241000 -41.65776627 -10.10000000 -15.21250000 -23.83181009 -4.12878303 28.99894227 -31.80507166 1.03523444 6.71227825 7.60629852 0.00000000 0.00000000 0.00000000 1.83014365 2.46150835 0.01132026 -0.61068434 0.00000000 -2.16313454 0.00000000 2.38400000 280.00000000