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_1A0R2.PDB 3.58930000 -38.78486624 -3.61250000 -8.07500000 -24.08159987 -3.43311051 19.66457696 -36.31332443 4.03221838 10.11844671 2.44965886 0.00000000 0.00000000 0.00000000 1.86315926 1.24355106 -0.13458264 -0.07796270 0.00000000 -1.18484626 0.00000000 2.38400000 359.00000000 2_1A0R2.PDB 3.80742000 -37.51483255 -3.61250000 -4.56250000 -25.17016242 -4.11307163 21.45817969 -37.30248579 4.34225680 9.15478968 2.94672847 0.00000000 0.00000000 0.00000000 1.33033454 1.15356648 -0.14313372 -0.21718292 0.00000000 -1.62608525 0.00000000 2.38400000 359.00000000 3_1A0R2.PDB 3.24064000 -37.69852897 -3.65000000 -5.96250000 -24.41770021 -3.81247216 21.07665351 -36.51060909 3.90856452 9.36784591 3.04490775 0.00000000 0.00000000 0.00000000 1.18564634 1.22496530 -0.12779111 -0.17059434 0.00000000 -1.63048008 0.00000000 2.38400000 359.00000000 4_1A0R2.PDB 3.59755000 -39.97658049 -5.38750000 -8.11250000 -24.07702698 -2.67744754 20.76302754 -36.26198431 3.02271246 10.00199788 2.77535805 0.00000000 0.00000000 0.00000000 1.38868737 1.26541593 -0.15643904 -0.18230388 0.00000000 -1.07316203 0.00000000 2.38400000 359.00000000 5_1A0R2.PDB 4.61718000 -34.83402097 -4.53750000 -3.30000000 -21.91862510 -2.20062843 17.67068807 -33.58673617 0.74926695 8.52182256 2.69857965 0.00000000 0.00000000 0.00000000 2.05180407 1.16582436 -0.15730997 -0.02824495 0.00000000 -0.79713765 0.00000000 2.38400000 359.00000000 6_1A0R2.PDB 5.98961000 -29.94183673 -3.61250000 -6.08750000 -23.33601487 -3.65114347 21.41385666 -34.89987215 7.91466905 9.68394501 2.70378183 0.00000000 0.00000000 0.00000000 1.60217982 1.14360375 -0.13782008 -0.03202019 0.00000000 -1.50339834 0.00000000 2.38400000 359.00000000 7_1A0R2.PDB 3.00478000 -40.71475538 -3.65000000 -5.88750000 -23.78777915 -2.00753823 18.75583681 -36.65307133 0.63250029 8.60639717 2.78782846 0.00000000 0.00000000 0.00000000 1.17227709 1.33451796 -0.12870587 -0.10211764 0.00000000 -0.45288298 0.00000000 2.38400000 359.00000000 8_1A0R2.PDB 3.33933000 -40.78578107 -3.61250000 -5.96250000 -24.41905147 -1.80605680 19.20543459 -37.14455841 1.37405927 8.68676694 2.37553322 0.00000000 0.00000000 0.00000000 1.12753708 1.27959701 -0.12485750 -0.10682924 0.00000000 -0.37875875 0.00000000 2.38400000 359.00000000 9_1A0R2.PDB 5.39583000 -41.04220217 -4.50000000 -6.08750000 -23.83233712 -3.61144864 19.31021686 -36.17882607 1.60492884 9.72794827 2.82613087 0.00000000 0.00000000 0.00000000 1.13247238 1.26007192 -0.13321205 -0.00042137 0.00000000 -1.30015414 0.00000000 2.38400000 359.00000000 10_1A0R2.PDB 5.11775000 -35.13879311 -3.61250000 -6.08750000 -23.11203361 -3.13510120 18.85572114 -35.12133251 4.02720958 9.72611724 2.73802985 0.00000000 0.00000000 0.00000000 1.87822626 1.18133035 -0.10519405 -0.03328851 0.00000000 -1.15714730 0.00000000 2.38400000 359.00000000 11_1A0R2.PDB 3.96864000 -40.64699617 -6.23750000 -8.58750000 -24.76708763 -3.40731065 20.84267461 -36.66374810 4.61683141 10.10950224 2.99338273 0.00000000 0.00000000 0.00000000 2.06554676 1.22828038 -0.15779050 -0.34827508 0.00000000 -1.10572196 0.00000000 2.38400000 359.00000000 12_1A0R2.PDB 4.62014000 -39.59730747 -5.38750000 -7.73750000 -23.92655294 -2.72201709 21.07636502 -35.39476419 1.39094738 9.36755695 2.85148833 0.00000000 0.00000000 0.00000000 2.19168310 1.21300120 -0.14722026 -0.02552124 0.00000000 -1.13427252 0.00000000 2.38400000 359.00000000 13_1A0R2.PDB 5.31033000 -36.89150808 -3.61250000 -5.96250000 -23.58672954 -3.14836550 20.53907856 -35.28562332 1.55889982 8.92574453 2.45798618 0.00000000 0.00000000 0.00000000 2.84171709 1.12693030 -0.15537690 -0.12126875 0.00000000 -1.34257025 0.00000000 2.38400000 359.00000000 14_1A0R2.PDB 4.31138000 -41.11677687 -3.65000000 -5.96250000 -23.69057986 -2.01103972 18.16350336 -36.62726760 0.56608568 8.44927748 2.72579137 0.00000000 0.00000000 0.00000000 1.78407436 1.29466169 -0.13735830 -0.10387966 0.00000000 -0.62288398 0.00000000 2.38400000 359.00000000 15_1A0R2.PDB 3.09088000 -41.05473708 -4.53750000 -5.07500000 -24.85806125 -2.73282917 19.65906513 -37.48312694 1.30518668 10.00554237 2.72529195 0.00000000 0.00000000 0.00000000 1.30259347 1.28681145 -0.16709662 -0.10968814 0.00000000 -1.08911455 0.00000000 2.38400000 359.00000000 16_1A0R2.PDB 3.16454000 -41.07572538 -5.38750000 -7.73750000 -24.67611700 -2.50012438 20.78391760 -37.06576142 2.81904435 9.86647027 2.72726046 0.00000000 0.00000000 0.00000000 1.28489559 1.30956806 -0.16294029 -0.06473047 0.00000000 -0.96264010 0.00000000 2.38400000 359.00000000 17_1A0R2.PDB 3.57380000 -41.57485603 -4.50000000 -6.85000000 -24.53204280 -1.89472266 19.56251805 -37.29924997 0.71954254 8.82402772 3.03484715 0.00000000 0.00000000 0.00000000 2.13799220 1.25526888 -0.10837318 -0.10789426 0.00000000 -0.56150083 0.00000000 2.38400000 359.00000000 18_1A0R2.PDB 3.29860000 -40.33455988 -4.50000000 -5.07500000 -23.23703210 -1.70902351 17.67935261 -36.13995333 0.79945192 8.06010941 2.86058279 0.00000000 0.00000000 0.00000000 1.53735211 1.27410291 -0.13077677 -0.04656158 0.00000000 -0.43306142 0.00000000 2.38400000 359.00000000 19_1A0R2.PDB 3.36883000 -42.33896366 -3.65000000 -5.96250000 -25.19164115 -2.32667088 20.16487770 -38.20632196 1.14141985 8.55593476 2.71745406 0.00000000 0.00000000 0.00000000 1.27456529 1.35260702 -0.12120080 -0.02812146 0.00000000 -0.70675907 0.00000000 2.38400000 359.00000000 20_1A0R2.PDB 3.57042000 -41.18407932 -3.65000000 -4.90000000 -24.19024103 -3.86462371 19.34055382 -36.70389296 1.10753456 9.46403939 2.69496600 0.00000000 0.00000000 0.00000000 1.33663897 1.24613575 -0.13123679 -0.15314474 0.00000000 -1.53467284 0.00000000 2.38400000 359.00000000 21_1A0R2.PDB 3.58082000 -40.08531532 -5.38750000 -7.73750000 -24.55860088 -2.59868421 20.16813789 -36.95619890 4.19074796 10.01106959 2.83172881 0.00000000 0.00000000 0.00000000 1.33667912 1.32786661 -0.15791536 -0.25841824 0.00000000 -0.96886110 0.00000000 2.38400000 359.00000000 22_1A0R2.PDB 3.40487000 -41.39977549 -4.50000000 -6.85000000 -24.47571416 -3.04510153 21.10367052 -36.60679539 0.94429792 9.51861527 2.69991309 0.00000000 0.00000000 0.00000000 1.35363566 1.22792334 -0.15609989 -0.12945010 0.00000000 -1.25674690 0.00000000 2.38400000 359.00000000 23_1A0R2.PDB 4.26872000 -35.94341804 -5.35000000 -9.51250000 -23.91318870 -2.37055298 19.71486471 -36.10741920 7.04847939 10.48494435 2.96631174 0.00000000 0.00000000 0.00000000 2.38573160 1.31848515 -0.16109809 -0.26613452 0.00000000 -0.86285634 0.00000000 2.38400000 359.00000000 24_1A0R2.PDB 3.02010000 -41.63135422 -3.65000000 -7.70000000 -24.33697679 -2.90959691 20.10134302 -36.54418197 1.08986715 10.24507087 2.35989154 0.00000000 0.00000000 0.00000000 1.22485952 1.24469789 -0.14736974 -0.14015574 0.00000000 -1.22410517 0.00000000 2.38400000 359.00000000 25_1A0R2.PDB 3.73001000 -43.03915600 -5.38750000 -7.73750000 -24.43723103 -2.18078022 19.41833177 -36.82098770 0.70006512 9.70011324 2.89260576 0.00000000 0.00000000 0.00000000 1.76915124 1.27854675 -0.14827936 -0.06243411 0.00000000 -0.74471071 0.00000000 2.38400000 359.00000000 26_1A0R2.PDB 2.91267000 -42.04700622 -3.65000000 -5.96250000 -24.52258450 -2.01666610 19.42056208 -37.34932833 0.62325058 8.42380431 2.69881039 0.00000000 0.00000000 0.00000000 1.11712274 1.32986587 -0.11683969 -0.08851618 0.00000000 -0.62412150 0.00000000 2.38400000 359.00000000 27_1A0R2.PDB 3.35524000 -38.96345529 -3.65000000 -5.96250000 -25.02679095 -3.86081678 20.91509551 -37.37869718 4.32543273 9.44990219 2.77120646 0.00000000 0.00000000 0.00000000 1.23711304 1.25659856 -0.12723643 -0.12052050 0.00000000 -1.53564337 0.00000000 2.38400000 359.00000000 28_1A0R2.PDB 4.34424000 -39.12076597 -5.38750000 -5.96250000 -23.64449893 -2.56357886 19.46506878 -35.72815224 1.22723914 9.82761328 2.73765705 0.00000000 0.00000000 0.00000000 2.12365423 1.22408354 -0.13331696 -0.13729384 0.00000000 -0.94515763 0.00000000 2.38400000 359.00000000 29_1A0R2.PDB 3.04256000 -38.44471149 -3.65000000 -4.18750000 -23.27817073 -1.57015558 17.98043873 -36.11426328 0.62215835 8.05203691 3.15073856 0.00000000 0.00000000 0.00000000 1.10769457 1.27246593 -0.12968784 -0.04400902 0.00000000 -0.38399216 0.00000000 2.38400000 359.00000000 30_1A0R2.PDB 9.06056000 -31.34028740 -6.23750000 -8.62500000 -23.59903317 -2.50157840 21.20464728 -34.98166068 9.32846605 10.36982730 2.99227827 0.00000000 0.00000000 0.00000000 1.90982019 1.15718069 -0.15160597 -0.19844200 0.00000000 -0.85050627 0.00000000 2.38400000 359.00000000