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_1Q1S3.PDB 8.86787000 -18.57022879 -13.82500000 -25.48750000 -20.32924810 -1.89622009 35.66707642 -21.24010367 6.49407147 10.21437362 10.18896390 0.00000000 0.00000000 0.00000000 4.29085947 1.92084646 -0.54149100 -0.58719550 0.00000000 -1.51881533 0.00000000 2.38400000 449.00000000 2_1Q1S3.PDB 8.84435000 -17.66886198 -11.16250000 -21.88750000 -18.56978007 -2.99636102 32.42631947 -20.21574222 5.95035730 8.05029220 9.54232653 0.00000000 0.00000000 0.00000000 4.40494390 1.93754490 -0.43786702 -0.60358043 0.00000000 -2.16977062 0.00000000 2.38400000 449.00000000 3_1Q1S3.PDB 8.44009000 -16.83726254 -11.20000000 -22.86250000 -19.06947382 -1.91847970 32.21352227 -20.98925269 6.31955029 8.66467503 10.23489408 0.00000000 0.00000000 0.00000000 4.24437793 1.95449776 -0.45813509 -0.42297522 0.00000000 -1.59346563 0.00000000 2.38400000 449.00000000 4_1Q1S3.PDB 9.41707000 -16.02807556 -12.05000000 -22.35000000 -19.43959025 -2.82225630 33.41167239 -21.59265837 7.16039797 9.17756150 11.25293999 0.00000000 0.00000000 0.00000000 4.65365946 1.94752709 -0.36480987 -0.72283311 0.00000000 -2.34215896 0.00000000 2.38400000 449.00000000 5_1Q1S3.PDB 9.34814000 -16.36049293 -12.05000000 -20.70000000 -19.45157915 -2.32210762 33.46294081 -21.48097258 6.29727792 8.32621069 10.35245545 0.00000000 0.00000000 0.00000000 4.57480697 1.94032520 -0.43783709 -0.97872922 0.00000000 -1.95295910 0.00000000 2.38400000 449.00000000 6_1Q1S3.PDB 9.29766000 -17.39171283 -11.20000000 -21.92500000 -20.16988316 -3.61974955 33.51087112 -22.18887056 7.04569195 8.75943720 10.78854373 0.00000000 0.00000000 0.00000000 5.26890725 1.98630042 -0.42634347 -0.53022173 0.00000000 -2.70509561 0.00000000 2.38400000 449.00000000 7_1Q1S3.PDB 8.50603000 -14.57603245 -8.57500000 -20.23750000 -19.04957096 -2.75776164 30.14600530 -21.18134383 9.13650387 7.47886570 9.53818192 0.00000000 0.00000000 0.00000000 4.34723798 1.92612368 -0.40771876 -1.05348571 0.00000000 -1.96044631 0.00000000 2.38400000 449.00000000 8_1Q1S3.PDB 8.83376000 -15.88940300 -11.20000000 -20.62500000 -19.39806421 -1.94527365 32.73992892 -21.33742273 5.55019627 8.65603959 10.30759401 0.00000000 0.00000000 0.00000000 4.36167446 1.95042368 -0.46475972 -0.90982688 0.00000000 -1.62448904 0.00000000 2.38400000 449.00000000 9_1Q1S3.PDB 8.40274000 -19.79549481 -11.20000000 -26.37500000 -20.27911753 -1.84123509 33.87351055 -21.94359973 5.92749935 9.72502054 10.12165005 0.00000000 0.00000000 0.00000000 4.64038725 1.96568918 -0.46629062 -0.53419370 0.00000000 -1.44412588 0.00000000 2.38400000 449.00000000 10_1Q1S3.PDB 9.79299000 -17.75280481 -10.35000000 -22.31250000 -19.27114497 -2.98365705 31.47971110 -21.59212897 8.11982653 8.80139203 11.45926415 0.00000000 0.00000000 0.00000000 1.92204331 1.96653816 -0.15389647 -0.91874293 0.00000000 -1.95297152 0.00000000 2.38400000 449.00000000 11_1Q1S3.PDB 9.03523000 -18.30514355 -12.65000000 -22.48750000 -19.36350828 -2.69007306 33.28540845 -21.57535090 5.12762104 9.49230229 11.35428824 0.00000000 0.00000000 0.00000000 4.76862574 1.97115250 -0.48482816 -0.82981731 0.00000000 -2.25231160 0.00000000 2.38400000 449.00000000 12_1Q1S3.PDB 8.72156000 -16.32531871 -8.57500000 -19.60000000 -18.72121167 -5.99895605 30.34638647 -20.71378046 9.35139199 7.76157887 9.70091650 0.00000000 0.00000000 0.00000000 4.19309335 1.89810546 -0.02026357 -0.79214721 0.00000000 -3.25732694 0.00000000 2.38400000 449.00000000 13_1Q1S3.PDB 11.25940000 -16.47479321 -10.91250000 -21.37500000 -18.60721429 -2.59065596 31.75429327 -20.56457873 6.21772429 8.75015018 10.12517192 0.00000000 0.00000000 0.00000000 4.12918219 1.89992510 -0.40346955 -1.05145472 0.00000000 -1.94644179 0.00000000 2.38400000 449.00000000 14_1Q1S3.PDB 13.21090000 -17.20163938 -12.05000000 -24.08750000 -19.93163577 -2.70594328 35.06595086 -21.65761049 7.40874524 9.10435767 10.86782002 0.00000000 0.00000000 0.00000000 4.21296737 2.16791938 -0.42345802 -0.84100175 0.00000000 -2.16433124 0.00000000 2.38400000 449.00000000 15_1Q1S3.PDB 8.79687000 -17.13886841 -11.16250000 -22.82500000 -18.76673622 -1.86577939 32.50151906 -20.72529451 6.07953526 8.19604310 9.74715684 0.00000000 0.00000000 0.00000000 4.28606092 1.93226093 -0.46836630 -0.62992098 0.00000000 -1.50558618 0.00000000 2.38400000 449.00000000 16_1Q1S3.PDB 8.14663000 -20.87850525 -11.20000000 -25.62500000 -20.42844694 -2.65834441 34.66157023 -21.78534577 6.01801636 9.04116769 9.61853743 0.00000000 0.00000000 0.00000000 4.48510811 2.01667563 -0.39516654 -0.58136058 0.00000000 -2.02924083 0.00000000 2.38400000 449.00000000 17_1Q1S3.PDB 10.03680000 -18.41618230 -10.35000000 -21.07500000 -19.49817895 -3.54622726 32.23173703 -21.39235534 7.01796165 8.28705044 10.93490569 0.00000000 0.00000000 0.00000000 2.34448535 1.93771658 -0.31595368 -0.61603456 0.00000000 -2.43857266 0.00000000 2.38400000 449.00000000 18_1Q1S3.PDB 9.19169000 -15.12010400 -11.20000000 -19.72500000 -19.54257077 -3.08858031 32.50728038 -21.85853155 6.72616734 8.69863253 11.22207139 0.00000000 0.00000000 0.00000000 4.73347450 1.92711466 -0.42106376 -0.56734895 0.00000000 -2.60463481 0.00000000 2.38400000 449.00000000 19_1Q1S3.PDB 8.52858000 -15.42675775 -9.42500000 -21.08750000 -18.74983405 -2.83825019 30.38887754 -20.92009730 8.16560381 7.57291011 10.42598495 0.00000000 0.00000000 0.00000000 4.33575277 1.93251024 -0.30173547 -0.92100200 0.00000000 -2.07246792 0.00000000 2.38400000 449.00000000 20_1Q1S3.PDB 8.68488000 -15.37069576 -12.05000000 -20.70000000 -19.38246988 -2.32632314 33.77098140 -21.32234460 6.40944845 8.10176138 10.55893970 0.00000000 0.00000000 0.00000000 4.34258627 2.17156407 -0.38700478 -0.60954759 0.00000000 -1.77672295 0.00000000 2.38400000 449.00000000 21_1Q1S3.PDB 8.47991000 -15.73553849 -12.05000000 -21.47500000 -19.02032704 -1.93343269 32.74341632 -21.02820136 6.52811542 8.40004621 10.62258693 0.00000000 0.00000000 0.00000000 4.06805942 1.93858028 -0.38876372 -0.69079919 0.00000000 -1.51123879 0.00000000 2.38400000 449.00000000 22_1Q1S3.PDB 8.88993000 -16.66420944 -12.05000000 -22.47500000 -19.55484874 -2.48188326 33.33012281 -21.64691594 6.82118188 9.17195546 10.63021379 0.00000000 0.00000000 0.00000000 4.66280022 1.94234911 -0.32545416 -0.80059429 0.00000000 -1.94578721 0.00000000 2.38400000 449.00000000 23_1Q1S3.PDB 8.27823000 -18.89900941 -12.05000000 -23.71250000 -18.93430482 -1.91337814 32.76057652 -20.83928533 5.65587496 8.43784920 9.88671726 0.00000000 0.00000000 0.00000000 4.30603020 1.92915124 -0.45819421 -0.46467525 0.00000000 -1.57371981 0.00000000 2.38400000 449.00000000 24_1Q1S3.PDB 9.88610000 -17.56662350 -12.93750000 -22.86250000 -19.61993091 -1.87297513 33.48991105 -21.65748251 7.70230828 9.60186783 11.31581147 0.00000000 0.00000000 0.00000000 2.04604241 1.98723254 -0.47840389 -0.71901134 0.00000000 -1.57476076 0.00000000 2.38400000 449.00000000 25_1Q1S3.PDB 9.31602000 -18.27441163 -12.05000000 -24.08750000 -19.83781219 -2.88472290 33.78105888 -22.00885200 6.69313756 9.28173341 11.36001920 0.00000000 0.00000000 0.00000000 4.93452909 1.94753569 -0.38569091 -0.70394521 0.00000000 -2.36636656 0.00000000 2.38400000 449.00000000 26_1Q1S3.PDB 9.77905000 -13.60168126 -7.68750000 -15.97500000 -19.08894517 -5.19590923 29.73979489 -21.42688749 6.67643293 7.58210343 11.00353765 0.00000000 0.00000000 0.00000000 4.87196028 1.85388557 -0.04786985 -0.94902295 0.00000000 -3.10437575 0.00000000 2.38400000 449.00000000 27_1Q1S3.PDB 9.11224000 -16.30363464 -11.27500000 -23.95000000 -18.79344969 -3.76439343 31.67144811 -20.18370880 6.47333790 11.76435423 11.17685778 0.00000000 0.00000000 0.00000000 4.15548928 1.82313026 -0.15789506 -0.68500385 0.00000000 -2.73567111 0.00000000 2.38400000 449.00000000 28_1Q1S3.PDB 8.62072000 -17.39081923 -8.57500000 -19.26250000 -18.76348216 -3.91063842 29.61342955 -21.14131157 6.34649106 7.13557298 10.64707696 0.00000000 0.00000000 0.00000000 4.34241222 1.89632381 -0.05445425 -1.09655372 0.00000000 -2.67186187 0.00000000 2.38400000 449.00000000 29_1Q1S3.PDB 10.28750000 -12.19780505 -10.87500000 -21.67500000 -18.47818079 -2.65510197 31.10490853 -20.15423375 11.56620179 8.05276778 9.98592793 0.00000000 0.00000000 0.00000000 3.97779689 1.95093781 -0.42207841 -0.49540024 0.00000000 -2.13041281 0.00000000 2.38400000 449.00000000 30_1Q1S3.PDB 8.56499000 -16.82036412 -12.05000000 -23.71250000 -19.73705545 -1.87057682 34.42088643 -21.62805697 6.43014104 8.62324033 10.71168494 0.00000000 0.00000000 0.00000000 4.48851393 2.19743779 -0.41360551 -0.68541920 0.00000000 -1.39761685 0.00000000 2.38400000 449.00000000