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_1Q622.PDB 16.43220000 -34.79184211 -9.61250000 -18.42500000 -23.67744081 -12.01981401 33.06198380 -30.34659926 9.76825089 12.38694655 9.00451354 0.00000000 0.00000000 0.00000000 1.63818321 4.14393049 0.08440309 -0.48788352 0.00000000 -6.16688559 0.00000000 2.38400000 358.00000000 2_1Q622.PDB 12.42520000 -34.40959919 -7.87500000 -17.58750000 -22.25800380 -13.05726995 30.69015364 -28.11671886 9.34619409 11.88220109 8.33485445 0.00000000 0.00000000 0.00000000 1.57776569 3.68710455 0.08874477 -0.70336292 0.00000000 -6.73165739 0.00000000 2.38400000 358.00000000 3_1Q622.PDB 14.93590000 -42.71899588 -6.98750000 -21.21250000 -22.05167456 -13.96287270 30.15663710 -27.98665271 5.40036110 12.63748141 7.72238995 0.00000000 0.00000000 0.00000000 1.49252313 3.74120041 0.09087487 -1.11709643 0.00000000 -6.90096704 0.00000000 2.38400000 358.00000000 4_1Q622.PDB 10.96310000 -32.09328675 -7.87500000 -19.73750000 -23.39569839 -13.47893593 32.03196926 -30.00256771 15.18179474 12.53318280 8.38622539 0.00000000 0.00000000 0.00000000 1.80375140 3.82953766 0.08876279 -0.74745185 0.00000000 -6.88181926 0.00000000 2.38400000 358.00000000 5_1Q622.PDB 13.33770000 -33.82922317 -8.72500000 -18.53750000 -22.79332283 -11.13610715 31.48264947 -28.67935235 9.23388418 12.15803136 8.16590619 0.00000000 0.00000000 0.00000000 1.33746408 3.76481086 0.10812293 -0.21478256 0.00000000 -6.22921650 0.00000000 2.38400000 358.00000000 6_1Q622.PDB 9.39595000 -33.46201565 -6.35000000 -19.98750000 -23.06833078 -13.51792670 31.89915206 -29.36887014 11.91747940 12.11180166 9.03096829 0.00000000 0.00000000 0.00000000 1.52383076 3.82866874 0.09411308 -0.91456382 0.00000000 -6.83216946 0.00000000 2.38400000 358.00000000 7_1Q622.PDB 15.55330000 -33.21040997 -8.12500000 -13.18750000 -22.02627295 -10.37858511 30.94403678 -28.10776461 4.37643915 9.40280307 8.60644975 0.00000000 0.00000000 0.00000000 1.47873188 3.77016195 0.11161762 -0.35226742 0.00000000 -5.95309811 0.00000000 2.38400000 358.00000000 8_1Q622.PDB 11.64310000 -40.27397845 -6.35000000 -16.87500000 -22.13801123 -13.66920845 30.84391131 -27.94892594 2.18184064 11.14961168 8.30019425 0.00000000 0.00000000 0.00000000 1.64424661 3.82351193 0.09984360 -0.60805476 0.00000000 -6.90442615 0.00000000 2.38400000 358.00000000 9_1Q622.PDB 13.28000000 -33.97769610 -6.98750000 -14.16250000 -23.29903780 -12.99782579 31.50840341 -29.48125206 8.27041093 11.58777333 8.05503041 0.00000000 0.00000000 0.00000000 1.60081872 3.82022370 0.09323237 -1.41599635 0.00000000 -6.74925327 0.00000000 2.38400000 358.00000000 10_1Q622.PDB 10.73920000 -33.57413794 -8.72500000 -21.68750000 -23.63044379 -12.76815448 33.37116298 -29.44715902 12.53785293 13.42278497 8.06433261 0.00000000 0.00000000 0.00000000 2.22857753 3.89063043 0.04399481 -0.80822436 0.00000000 -6.17636211 0.00000000 2.38400000 358.00000000 11_1Q622.PDB 13.55620000 -38.48038697 -8.72500000 -21.51250000 -23.98266426 -14.00306103 34.68373153 -29.18422169 8.21413985 13.49278145 8.83810708 0.00000000 0.00000000 0.00000000 1.63594341 3.75285144 0.05436253 -1.36867717 0.00000000 -6.62332866 0.00000000 2.38400000 358.00000000 12_1Q622.PDB 15.52760000 -31.70370409 -9.61250000 -14.00000000 -23.44216072 -10.02747717 34.02960098 -29.31298616 4.14793010 11.75323499 9.12299511 0.00000000 0.00000000 0.00000000 1.66380445 3.89195926 0.04736132 -0.47726202 0.00000000 -5.59624497 0.00000000 2.38400000 358.00000000 13_1Q622.PDB 17.97060000 -30.95715617 -8.72500000 -13.45000000 -24.55105307 -12.87423546 34.15617131 -30.83382790 9.86364040 12.25849587 8.66699464 0.00000000 0.00000000 0.00000000 1.67335762 3.73638748 0.05230229 -0.75869607 0.00000000 -6.43530581 0.00000000 2.38400000 358.00000000 14_1Q622.PDB 14.91590000 -35.62678457 -8.51250000 -17.88750000 -22.72031031 -13.03432523 31.54722445 -28.44526528 8.37201209 12.09869089 8.53709956 0.00000000 0.00000000 0.00000000 1.41777422 3.77204555 0.08631665 -0.75686564 0.00000000 -6.32913596 0.00000000 2.38400000 358.00000000 15_1Q622.PDB 13.68030000 -38.09779798 -9.61250000 -19.80000000 -24.51737833 -13.70559846 34.89735831 -30.13633195 7.72892105 12.56827239 9.31401344 0.00000000 0.00000000 0.00000000 2.29325990 3.97655835 0.04956917 -0.81832324 0.00000000 -6.35906026 0.00000000 2.38400000 358.00000000 16_1Q622.PDB 12.65770000 -32.82460925 -7.87500000 -17.35000000 -22.76640401 -12.73840828 32.36546613 -28.78517925 9.51929241 12.19943037 7.88575296 0.00000000 0.00000000 0.00000000 1.82359650 3.71322479 0.08528406 -0.68907590 0.00000000 -6.49936424 0.00000000 2.38400000 358.00000000 17_1Q622.PDB 14.31240000 -31.38339210 -8.08750000 -14.23750000 -24.03715410 -11.89352411 33.13356591 -29.74570904 8.11697873 10.79280015 9.88619077 0.00000000 0.00000000 0.00000000 1.52210021 3.81891060 0.05829459 -0.81090252 0.00000000 -6.08103269 0.00000000 2.38400000 358.00000000 18_1Q622.PDB 14.37930000 -30.83138750 -8.08750000 -15.63750000 -24.05440567 -12.69097810 33.70511700 -29.75830372 9.97795175 12.27726895 8.88023427 0.00000000 0.00000000 0.00000000 1.74020373 3.80512889 0.05699205 -0.99666910 0.00000000 -6.24379866 0.00000000 2.38400000 358.00000000 19_1Q622.PDB 17.51570000 -37.79419370 -9.61250000 -19.53750000 -23.75806941 -12.92115024 35.41587960 -29.44944753 6.32482111 12.43215637 9.04340724 0.00000000 0.00000000 0.00000000 1.67646762 3.83046830 0.05228603 -1.28926492 0.00000000 -6.17127956 0.00000000 2.38400000 358.00000000 20_1Q622.PDB 13.72030000 -39.04809544 -9.61250000 -19.70000000 -24.16219438 -13.53112780 34.86272460 -29.78482044 7.16222332 12.78319583 9.03491674 0.00000000 0.00000000 0.00000000 1.70998866 3.88355740 0.05928142 -1.16103340 0.00000000 -6.70875000 0.00000000 2.38400000 358.00000000 21_1Q622.PDB 8.15574000 -37.50507074 -6.98750000 -14.25000000 -21.92451975 -12.15451646 29.98327097 -27.91252529 1.93196644 10.83719271 8.43398751 0.00000000 0.00000000 0.00000000 1.52302078 3.76307213 0.02709265 -0.74687299 0.00000000 -6.26566731 0.00000000 2.38400000 358.00000000 22_1Q622.PDB 18.46960000 -35.99989222 -6.98750000 -16.98750000 -24.63920610 -15.97506796 35.62128826 -29.89541360 8.78491434 14.04879498 7.43969835 0.00000000 0.00000000 0.00000000 1.69234406 3.65852783 0.08247644 -1.07153741 0.00000000 -8.11318358 0.00000000 2.38400000 358.00000000 23_1Q622.PDB 14.05200000 -38.62588247 -6.98750000 -20.60000000 -24.28772805 -16.06954409 35.13899704 -28.97095592 8.35432360 13.67188393 8.07247385 0.00000000 0.00000000 0.00000000 2.27348563 3.66305884 0.09863762 -1.19860560 0.00000000 -8.12135047 0.00000000 2.38400000 358.00000000 24_1Q622.PDB 16.00850000 -35.87321041 -7.23750000 -17.53750000 -24.92693632 -15.95056135 36.50753522 -29.80476006 8.77856036 13.38599403 8.20328592 0.00000000 0.00000000 0.00000000 1.77495031 3.75585532 0.09158954 -1.01886788 0.00000000 -8.13900019 0.00000000 2.38400000 358.00000000 25_1Q622.PDB 12.98770000 -32.32030477 -8.72500000 -16.46250000 -22.20396562 -8.65586198 29.65288775 -28.29747690 8.20340189 10.09415661 8.55962786 0.00000000 0.00000000 0.00000000 1.35214949 3.72104450 0.08968315 -0.64613499 0.00000000 -5.28127204 0.00000000 2.38400000 358.00000000 26_1Q622.PDB 15.55070000 -35.26091230 -7.87500000 -17.27500000 -23.50171429 -12.33417293 32.13908466 -30.05274123 9.39957203 11.80964155 7.95426009 0.00000000 0.00000000 0.00000000 1.83868235 3.89336684 0.09609482 -1.41962330 0.00000000 -6.03999607 0.00000000 2.38400000 358.00000000 27_1Q622.PDB 13.26280000 -31.96175229 -10.25000000 -17.08750000 -23.19310308 -9.97071657 34.44521914 -28.61601145 7.14069724 11.20031210 9.59135499 0.00000000 0.00000000 0.00000000 1.47271788 3.84786429 0.12263287 -1.10467455 0.00000000 -5.71268086 0.00000000 2.38400000 358.00000000 28_1Q622.PDB 15.27220000 -31.34152982 -7.87500000 -15.35000000 -22.07479541 -11.06599919 29.93447334 -28.28969085 9.11477655 11.43599130 8.19210424 0.00000000 0.00000000 0.00000000 1.38086723 3.82781052 0.07675097 -0.80438313 0.00000000 -6.01662488 0.00000000 2.38400000 358.00000000 29_1Q622.PDB 10.95880000 -40.34578518 -7.23750000 -18.35000000 -22.30517405 -12.61224067 32.05964832 -28.18486052 2.78014676 10.87403618 8.11374701 0.00000000 0.00000000 0.00000000 1.57780821 3.80687534 0.08160541 -0.82976266 0.00000000 -6.31323918 0.00000000 2.38400000 358.00000000 30_1Q622.PDB 16.26720000 -34.64015674 -6.98750000 -17.98750000 -23.30813249 -13.65347455 31.41287247 -29.64776598 10.69416015 11.90025846 8.00681123 0.00000000 0.00000000 0.00000000 1.70929676 3.81526742 0.08772957 -0.39601047 0.00000000 -6.47090189 0.00000000 2.38400000 358.00000000