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_1TH12.PDB -76.86267396 -464.45000000 -184.67500000 -647.79075547 -27.49149997 853.22813202 -794.41460550 27.33670780 340.42923142 796.36286081 0.00000000 0.00000000 1.12405600 35.46248941 101.97786359 -0.98479205 -2.97763322 0.00000000 -8.02186522 0.00000000 0.00000000 534.00000000 2_1TH12.PDB -88.38251064 -465.08750000 -184.03750000 -647.19455768 -26.91326452 853.66401569 -793.46291520 15.87433381 339.56291297 793.96758715 0.00000000 0.00000000 1.12405600 35.40480082 101.79791201 -0.95369429 -2.57033383 0.00000000 -7.76045154 0.00000000 0.00000000 534.00000000 3_1TH12.PDB -77.91436986 -463.56250000 -184.50000000 -647.71017303 -26.87649266 852.25844345 -794.47112499 26.52423306 340.11524629 795.18425578 0.00000000 0.00000000 1.12405600 35.42325473 101.85528505 -0.98859153 -2.57812488 0.00000000 -7.85685207 0.00000000 0.00000000 534.00000000 4_1TH12.PDB -87.03921670 -464.83750000 -184.20000000 -647.39579418 -27.63690890 853.13269430 -793.80700723 16.10101135 339.82137877 796.86827466 0.00000000 0.00000000 1.12405600 35.55241123 101.83362793 -0.93974356 -2.78689577 0.00000000 -8.03519337 0.00000000 0.00000000 534.00000000 5_1TH12.PDB -76.27282626 -463.81250000 -181.27500000 -647.53541941 -27.50415044 852.08441160 -794.06486409 27.73865495 339.31181353 793.24073722 0.00000000 0.00000000 1.12405600 35.76943720 101.80052490 -0.95951871 -2.70450730 0.00000000 -7.68597681 0.00000000 0.00000000 534.00000000 6_1TH12.PDB -88.32178272 -465.08750000 -186.18750000 -647.14915853 -26.92736847 854.61788290 -793.05593710 15.24491407 340.03564390 794.95606727 0.00000000 0.00000000 1.12405600 35.48091934 101.71706707 -0.94383637 -2.56644230 0.00000000 -7.86352342 0.00000000 0.00000000 534.00000000 7_1TH12.PDB -78.63908507 -463.37500000 -184.82500000 -647.29959800 -26.13095266 851.70797448 -793.85084734 25.96390810 339.42621117 794.61520160 0.00000000 0.00000000 1.12405600 35.35340515 101.82650383 -1.03286747 -2.68416260 0.00000000 -7.63141349 0.00000000 0.00000000 534.00000000 8_1TH12.PDB -86.40353447 -463.95000000 -181.50000000 -646.59961896 -26.52984217 850.98969727 -793.01489612 15.00924749 338.69292005 795.55646768 0.00000000 0.00000000 1.12405600 35.28349725 101.78194101 -0.98482399 -2.65762053 0.00000000 -7.82261843 0.00000000 0.00000000 534.00000000 9_1TH12.PDB -84.18356000 -464.20000000 -178.68750000 -647.02930153 -26.84220874 851.24134764 -792.92554564 15.55982630 338.92173839 793.79731013 0.00000000 0.00000000 1.12405600 35.78880066 101.78784276 -0.95937162 -2.30350662 0.00000000 -7.66920497 0.00000000 0.00000000 534.00000000 10_1TH12.PDB -76.82908019 -464.70000000 -185.26250000 -647.74436792 -26.97748213 854.17419043 -794.60018151 28.68204953 340.47064418 794.30659325 0.00000000 0.00000000 1.12405600 35.46481012 101.91064100 -0.96307069 -2.80939138 0.00000000 -7.99443008 0.00000000 0.00000000 534.00000000 11_1TH12.PDB -77.41748393 -463.56250000 -185.97500000 -647.95473802 -27.21165437 852.96605738 -794.52273644 26.79288561 340.70899674 796.43011642 0.00000000 0.00000000 1.12405600 35.35020621 101.86579721 -1.03904375 -3.03110646 0.00000000 -7.49302326 0.00000000 0.00000000 534.00000000 12_1TH12.PDB -77.59566359 -463.56250000 -186.61250000 -648.37754494 -28.32633118 854.07760656 -795.32303151 28.11914002 340.99535690 796.36739455 0.00000000 0.00000000 1.12405600 35.43755007 101.78103287 -0.98040377 -2.81252206 0.00000000 -7.72193423 0.00000000 0.00000000 534.00000000 13_1TH12.PDB -75.10561863 -463.77500000 -184.41250000 -646.89611061 -27.31116622 852.96815930 -793.03850924 26.43808130 339.62609501 796.42497864 0.00000000 0.00000000 1.12405600 35.36411267 101.80612864 -1.03128203 -2.70027146 0.00000000 -7.88626199 0.00000000 0.00000000 534.00000000 14_1TH12.PDB -89.05959411 -465.08750000 -186.18750000 -647.77294962 -26.81479632 854.26617524 -793.66589115 16.11912591 340.73672650 794.17810717 0.00000000 0.00000000 1.12405600 35.69062816 102.05530696 -0.96083823 -2.87658524 0.00000000 -7.80835253 0.00000000 0.00000000 534.00000000 15_1TH12.PDB -86.46683759 -464.83750000 -184.53750000 -647.44082653 -27.19576571 852.92505243 -793.61161860 15.60263167 339.94676628 797.18026688 0.00000000 0.00000000 1.12405600 35.46766829 101.74819016 -1.00504282 -2.65488953 0.00000000 -7.43013595 0.00000000 0.00000000 534.00000000 16_1TH12.PDB -87.97079160 -464.83750000 -184.12500000 -646.81012228 -26.42448800 852.12844016 -793.37923395 15.46297865 339.58056865 795.67529454 0.00000000 0.00000000 1.12405600 35.22342117 101.95932741 -0.97268922 -2.83587225 0.00000000 -7.78064507 0.00000000 0.00000000 534.00000000 17_1TH12.PDB -88.46761624 -464.65000000 -186.08750000 -647.78226036 -27.80057129 854.21033384 -794.44072612 15.63702685 340.40899905 796.71131355 0.00000000 0.00000000 1.12405600 35.52320431 101.97016982 -1.00929047 -2.72655750 0.00000000 -7.58564410 0.00000000 0.00000000 534.00000000 18_1TH12.PDB -75.44289320 -462.63750000 -185.01250000 -646.79941642 -26.66522653 851.72382871 -793.46819977 27.08579745 339.96667572 794.85397806 0.00000000 0.00000000 1.12405600 35.25285395 101.86586307 -1.02967638 -2.16187805 0.00000000 -7.67568595 0.00000000 0.00000000 534.00000000 19_1TH12.PDB -85.08576479 -464.80000000 -182.05000000 -645.97185651 -27.34759774 851.37944845 -791.67142611 14.69852487 340.03316060 796.01867572 0.00000000 0.00000000 1.12405600 35.12394476 101.74887836 -0.99663474 -2.93364678 0.00000000 -7.69241332 0.00000000 0.00000000 534.00000000 20_1TH12.PDB -77.38243793 -462.48750000 -185.20000000 -647.30467251 -26.11816045 850.98029427 -794.15195622 27.28174425 339.98873763 794.32489001 0.00000000 0.00000000 1.12405600 35.27593505 101.99038984 -0.98500540 -2.69357693 0.00000000 -7.41722361 0.00000000 0.00000000 534.00000000 21_1TH12.PDB -77.63369503 -463.56250000 -184.12500000 -647.59725164 -26.70588672 852.12036323 -794.69972486 26.98399865 339.61034762 795.44564081 0.00000000 0.00000000 1.12405600 35.31886925 101.94140412 -0.98326532 -2.69982442 0.00000000 -7.86351762 0.00000000 0.00000000 534.00000000 22_1TH12.PDB -86.23969426 -464.61250000 -185.71250000 -646.39015263 -26.60914101 852.69450953 -792.32272359 14.53971659 339.82454311 796.98720328 0.00000000 0.00000000 1.12405600 35.65088880 101.87084845 -1.02068519 -2.64468097 0.00000000 -7.74822818 0.00000000 0.00000000 534.00000000 23_1TH12.PDB -75.30792637 -463.56250000 -184.12500000 -647.82898052 -26.86756852 852.91776234 -794.90157075 27.92034763 340.28486736 796.13331210 0.00000000 0.00000000 1.12405600 35.53513281 101.83863538 -0.99821586 -2.85326201 0.00000000 -8.08630694 0.00000000 0.00000000 534.00000000 24_1TH12.PDB -77.11809455 -463.56250000 -185.93750000 -647.82683767 -26.73421006 852.03689090 -794.92767402 28.16361287 341.38387951 794.87566783 0.00000000 0.00000000 1.12405600 35.81965797 102.04438656 -1.00396893 -2.78880288 0.00000000 -7.74036607 0.00000000 0.00000000 534.00000000 25_1TH12.PDB -89.05804536 -464.83750000 -186.27500000 -646.89243648 -26.86356274 852.12629288 -793.28016279 15.97816091 340.54807520 795.61608941 0.00000000 0.00000000 1.12405600 35.18904055 101.75502262 -0.99852179 -2.81729294 0.00000000 -7.67528359 0.00000000 0.00000000 534.00000000 26_1TH12.PDB -89.70497354 -465.08750000 -186.15000000 -647.21210015 -27.19159729 853.74366395 -793.66464589 15.68624402 340.99861321 793.71808733 0.00000000 0.00000000 1.12405600 35.62349894 101.72924744 -0.96284077 -2.60082641 0.00000000 -7.72962649 0.00000000 0.00000000 534.00000000 27_1TH12.PDB -88.42456969 -464.65000000 -184.31250000 -646.90949751 -25.89604455 851.72080637 -793.53027982 15.35530442 338.96768849 795.61374151 0.00000000 0.00000000 1.12405600 35.29215076 101.77619310 -0.99513038 -2.70060921 0.00000000 -7.50425578 0.00000000 0.00000000 534.00000000 28_1TH12.PDB -84.84542202 -465.72500000 -185.01250000 -647.51172947 -26.79067580 853.93853028 -793.99120516 17.28007497 340.39413375 797.90196733 0.00000000 0.00000000 1.12405600 35.32099994 101.91390776 -0.98440515 -2.71618678 0.00000000 -8.07348193 0.00000000 0.00000000 534.00000000 29_1TH12.PDB -75.68821863 -463.37500000 -182.91250000 -648.27557383 -28.26899196 852.06941386 -795.07913787 28.40307008 341.32580992 795.35381225 0.00000000 0.00000000 1.12405600 35.23922281 101.93710668 -1.02505706 -2.44611647 0.00000000 -7.82122637 0.00000000 0.00000000 534.00000000 30_1TH12.PDB -76.66719666 -463.37500000 -183.63750000 -647.39350570 -25.97728850 851.74904485 -794.03226785 26.78544635 338.99230016 794.67158906 0.00000000 0.00000000 1.12405600 35.66320006 101.88778448 -1.00097023 -2.70383945 0.00000000 -7.53246142 0.00000000 0.00000000 534.00000000