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_1ATP2.PDB 7.85836212 -257.96250000 -168.28750000 -451.43423839 -40.80797679 586.95823470 -552.56100480 46.00997404 258.27723825 556.74853413 0.00000000 0.00000000 0.00000000 41.96494069 94.81975047 -1.71739626 -2.98286811 0.00000000 -6.34707534 0.00000000 0.00000000 356.00000000 2_1ATP2.PDB 8.81663649 -258.00000000 -170.70000000 -451.72282980 -41.73031850 587.60603821 -553.33365195 46.75575828 258.51952751 557.01843111 0.00000000 0.00000000 0.00000000 45.12703818 94.82078489 -2.07489184 -2.66084025 0.00000000 -5.98762447 0.00000000 0.00000000 356.00000000 3_1ATP2.PDB 5.77981956 -260.62500000 -172.57500000 -452.68814882 -41.01801394 588.99169276 -553.76771332 52.63545434 259.29870148 557.42477662 0.00000000 0.00000000 0.00000000 39.41619673 95.25545733 -2.11061116 -2.62570473 0.00000000 -6.57681040 0.00000000 0.00000000 356.00000000 4_1ATP2.PDB 4.73806249 -259.70000000 -170.21250000 -452.30134056 -41.60193389 588.39715058 -553.39862380 45.40675773 260.29858753 557.47910042 0.00000000 0.00000000 0.00000000 41.54602822 94.63076885 -1.72476107 -2.96157160 0.00000000 -6.48883110 0.00000000 0.00000000 356.00000000 5_1ATP2.PDB 10.55558414 -257.07500000 -168.06250000 -451.74743498 -43.82273971 587.85890702 -552.66560427 50.72009234 258.36663860 557.17245882 0.00000000 0.00000000 0.00000000 41.06341895 94.90651819 -1.67857276 -2.60909708 0.00000000 -6.96498279 0.00000000 0.00000000 356.00000000 6_1ATP2.PDB 5.50875029 -257.96250000 -171.21250000 -451.99405179 -44.31468624 586.63638997 -554.01530311 49.64525614 258.70751649 558.12993102 0.00000000 0.00000000 0.00000000 42.80629802 94.42746446 -1.59574732 -2.71000063 0.00000000 -6.61185224 0.00000000 0.00000000 356.00000000 7_1ATP2.PDB 11.99128579 -255.33750000 -166.55000000 -451.43966754 -41.86685969 586.06167958 -553.50235592 48.64579499 257.53356833 556.68862788 0.00000000 0.00000000 0.00000000 41.59599241 94.80056779 -1.51041708 -2.62068068 0.00000000 -5.70689649 0.00000000 0.00000000 356.00000000 8_1ATP2.PDB 10.61539506 -256.22500000 -166.21250000 -450.48786595 -42.01596178 586.57863646 -551.50207954 46.00015430 257.74847463 556.03893927 0.00000000 0.00000000 0.00000000 41.59322951 94.25220918 -1.64293486 -3.23887457 0.00000000 -6.01882243 0.00000000 0.00000000 356.00000000 9_1ATP2.PDB 2.93358429 -257.96250000 -168.92500000 -452.45928700 -41.48392359 587.06546661 -554.94912727 46.23803423 258.50486411 556.41429177 0.00000000 0.00000000 0.00000000 41.58999282 94.23781140 -1.57977439 -3.31294560 0.00000000 -6.20650741 0.00000000 0.00000000 356.00000000 10_1ATP2.PDB 6.68807788 -256.86250000 -164.05000000 -450.96944255 -43.25351635 584.96126234 -553.15087027 45.74300564 258.17844048 556.50812475 0.00000000 0.00000000 0.00000000 40.82306296 94.65864243 -1.63846130 -3.12927946 0.00000000 -6.47174835 0.00000000 0.00000000 356.00000000 11_1ATP2.PDB 6.46948715 -255.33750000 -166.58750000 -451.44171173 -43.58984532 587.03857610 -552.51111586 45.88012974 258.78672540 556.17859446 0.00000000 0.00000000 0.00000000 39.62107126 94.96974494 -1.68588377 -3.15074142 0.00000000 -6.73131170 0.00000000 0.00000000 356.00000000 12_1ATP2.PDB 5.45619535 -257.11250000 -166.61250000 -450.99277260 -41.84163582 585.03735802 -552.78920108 46.17473491 258.32131503 556.82761392 0.00000000 0.00000000 0.00000000 39.44444376 94.61646669 -1.71275088 -3.01541334 0.00000000 -6.27249657 0.00000000 0.00000000 356.00000000 13_1ATP2.PDB 9.09278953 -260.37500000 -169.18750000 -450.93926603 -41.30635932 585.82762752 -552.54737998 46.26878479 258.54559522 558.05754566 0.00000000 0.00000000 0.00000000 45.61258733 94.54598835 -1.61073208 -2.83985230 0.00000000 -6.41326128 0.00000000 0.00000000 356.00000000 14_1ATP2.PDB -1.65487856 -257.11250000 -170.02500000 -451.92187767 -45.54432460 586.38420394 -554.18361120 46.74218167 258.98906343 555.99890834 0.00000000 0.00000000 0.00000000 40.86089891 94.51638121 -1.68678570 -2.98393740 0.00000000 -7.17209827 0.00000000 0.00000000 356.00000000 15_1ATP2.PDB 6.30989174 -257.11250000 -167.10000000 -452.02356792 -42.39536056 586.46871147 -554.38514979 50.02075467 258.34678336 556.62528096 0.00000000 0.00000000 0.00000000 38.49553232 94.65040295 -1.38333118 -2.78870284 0.00000000 -6.45855875 0.00000000 0.00000000 356.00000000 16_1ATP2.PDB 3.43060049 -258.00000000 -167.10000000 -450.37771671 -44.72852766 585.92314231 -552.19709967 46.39171632 258.41791548 555.64766845 0.00000000 0.00000000 0.00000000 40.42582515 94.18431176 -1.67843729 -2.74630593 0.00000000 -6.54757996 0.00000000 0.00000000 356.00000000 17_1ATP2.PDB 5.07633296 -258.85000000 -167.40000000 -450.13292611 -44.28328491 585.93378664 -551.63093756 46.03708994 258.46463520 556.54158702 0.00000000 0.00000000 0.00000000 41.37945355 94.19472455 -1.70120747 -2.69791972 0.00000000 -6.58394363 0.00000000 0.00000000 356.00000000 18_1ATP2.PDB 3.50891811 -256.22500000 -167.40000000 -451.29121457 -43.74539585 587.27394719 -552.67075505 45.89667672 257.80100962 556.53502529 0.00000000 0.00000000 0.00000000 38.26261328 94.43288538 -1.60342939 -3.21669542 0.00000000 -6.10786370 0.00000000 0.00000000 356.00000000 19_1ATP2.PDB 10.57650108 -255.33750000 -170.98750000 -450.51975302 -42.30369668 586.19721978 -552.05821942 51.12217241 258.55178077 556.67773744 0.00000000 0.00000000 0.00000000 40.98389877 94.32183101 -1.62916416 -2.85329408 0.00000000 -7.26718072 0.00000000 0.00000000 356.00000000 20_1ATP2.PDB 2.52545336 -257.71250000 -169.73750000 -450.21916951 -40.84089250 585.68881022 -551.38742219 45.10798488 258.34988541 556.49507668 0.00000000 0.00000000 0.00000000 38.28692695 94.70440255 -1.69013423 -3.39030577 0.00000000 -6.42530658 0.00000000 0.00000000 356.00000000 21_1ATP2.PDB 8.77228752 -258.63750000 -165.26250000 -450.41153195 -41.48818712 584.79740428 -552.62648976 47.24392811 258.08639796 556.95170325 0.00000000 0.00000000 0.00000000 41.17297553 94.61869962 -1.66214423 -2.82583771 0.00000000 -6.56593085 0.00000000 0.00000000 356.00000000 22_1ATP2.PDB 3.88040595 -257.96250000 -168.58750000 -451.96810605 -40.09904782 585.30964138 -555.21519945 46.49111531 258.62005875 557.15936162 0.00000000 0.00000000 0.00000000 41.56872988 94.40259354 -1.27149036 -3.24760222 0.00000000 -6.91705509 0.00000000 0.00000000 356.00000000 23_1ATP2.PDB 9.42609387 -257.11250000 -167.10000000 -450.75914924 -41.31138332 585.75765101 -552.37982687 49.69815991 257.65165803 556.49140873 0.00000000 0.00000000 0.00000000 39.01227440 94.05170564 -1.66537552 -2.79011260 0.00000000 -6.06671066 0.00000000 0.00000000 356.00000000 24_1ATP2.PDB 6.11589972 -258.85000000 -169.85000000 -452.56275615 -41.77071333 588.52990161 -554.25869947 47.54882991 259.81166349 557.19631974 0.00000000 0.00000000 0.00000000 41.29235589 94.75214938 -1.23745814 -3.17654282 0.00000000 -6.55700101 0.00000000 0.00000000 356.00000000 25_1ATP2.PDB 5.34034409 -260.37500000 -169.52500000 -451.72249891 -40.84934443 588.22873135 -553.43370484 47.53868324 258.75593347 557.89899293 0.00000000 0.00000000 0.00000000 40.69736458 94.51834452 -2.08591117 -3.40116070 0.00000000 -6.38674143 0.00000000 0.00000000 356.00000000 26_1ATP2.PDB 5.43616002 -257.11250000 -167.77500000 -450.91618845 -40.58274712 585.34083812 -552.30719812 46.95639517 258.16172524 556.36878098 0.00000000 0.00000000 0.00000000 38.52171507 94.72565144 -1.65114282 -3.22675347 0.00000000 -6.34176457 0.00000000 0.00000000 356.00000000 27_1ATP2.PDB 7.47204065 -261.26250000 -170.75000000 -451.60276364 -41.77000239 588.05575351 -552.58171839 47.85662470 261.15308229 558.95153873 0.00000000 0.00000000 0.00000000 41.08991276 94.89197604 -1.69938971 -3.32613512 0.00000000 -6.64236209 0.00000000 0.00000000 356.00000000 28_1ATP2.PDB 5.38821334 -256.22500000 -169.40000000 -450.24305025 -41.97693342 585.67708707 -551.63004339 45.54828281 258.79882314 555.71305460 0.00000000 0.00000000 0.00000000 40.19487966 94.21824927 -1.61115979 -3.18717965 0.00000000 -6.27054745 0.00000000 0.00000000 356.00000000 29_1ATP2.PDB 1.84705772 -260.37500000 -168.88750000 -451.06317041 -38.72443689 584.11581450 -553.29919301 45.50068643 258.92668789 557.26408795 0.00000000 0.00000000 0.00000000 39.06874250 94.45915747 -1.71138225 -3.21251872 0.00000000 -5.75576027 0.00000000 0.00000000 356.00000000 30_1ATP2.PDB 7.79011555 -256.86250000 -165.60000000 -451.43385837 -42.56884339 586.63902358 -553.80116822 47.60258186 258.38033251 555.76839791 0.00000000 0.00000000 0.00000000 40.97440677 94.17821782 -1.55596885 -3.20632527 0.00000000 -6.54596298 0.00000000 0.00000000 356.00000000