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_2C1T3.PDB -47.10520429 -368.33750000 -164.35000000 -539.89746220 -29.21841845 692.99743058 -667.91911187 29.02113383 300.36989396 671.11510728 0.00000000 0.00000000 1.12405600 33.37338304 63.58380932 -2.90728916 -2.11691583 0.00000000 -0.35951147 0.00000000 0.00000000 442.00000000 2_2C1T3.PDB -48.92379698 -370.07500000 -164.35000000 -540.32997684 -28.93615581 692.56617693 -669.15081389 31.50179554 300.60861481 670.42359389 0.00000000 0.00000000 1.12405600 32.82921234 63.53125289 -2.91756740 -2.04250722 0.00000000 -0.17522533 0.00000000 0.00000000 442.00000000 3_2C1T3.PDB -44.65056850 -368.26250000 -162.57500000 -539.79543338 -29.13081246 692.70529976 -667.27972008 29.31686495 299.70493669 671.30628026 0.00000000 0.00000000 1.12405600 33.46226809 63.66201701 -2.92671591 -2.09418813 0.00000000 -0.20590429 0.00000000 0.00000000 442.00000000 4_2C1T3.PDB -40.71787659 -367.45000000 -163.46250000 -539.59149827 -29.23692912 693.72170551 -667.44709216 32.98650367 300.48464858 669.80802263 0.00000000 0.00000000 1.12405600 33.56379010 63.49930211 -2.91423984 -2.09289328 0.00000000 -0.21145040 0.00000000 0.00000000 442.00000000 5_2C1T3.PDB -45.54159131 -370.07500000 -164.35000000 -539.58899935 -29.09186723 693.15101399 -667.69717444 31.59836946 300.15423584 670.94141533 0.00000000 0.00000000 1.12405600 33.28954287 63.47118316 -2.92175492 -2.04980445 0.00000000 -0.02562441 0.00000000 0.00000000 442.00000000 6_2C1T3.PDB -40.31453701 -369.22500000 -163.46250000 -539.53115747 -29.31034409 693.67566577 -667.43121066 34.15198526 301.18595678 670.60268447 0.00000000 0.00000000 1.12405600 33.29123183 63.55676299 -2.89008812 -2.05026478 0.00000000 -0.44555200 0.00000000 0.00000000 442.00000000 7_2C1T3.PDB -40.99453633 -366.56250000 -160.80000000 -538.91660466 -29.36481760 691.63631205 -666.93116040 32.42520724 299.05695064 669.91072075 0.00000000 0.00000000 1.12405600 32.90085805 63.39155301 -2.93222828 -2.07628759 0.00000000 -0.46504253 0.00000000 0.00000000 442.00000000 8_2C1T3.PDB -41.58871134 -367.45000000 -163.46250000 -540.32105774 -29.27024396 694.02793255 -669.15604888 33.55469995 301.01076908 670.30738739 0.00000000 0.00000000 1.12405600 33.39774734 63.55096713 -2.91594829 -2.17260911 0.00000000 -0.26289567 0.00000000 0.00000000 442.00000000 9_2C1T3.PDB -45.25363129 -368.33750000 -164.35000000 -539.66034300 -29.10490328 693.14349979 -667.73933548 29.57794155 300.83278194 670.86768582 0.00000000 0.00000000 1.12405600 33.61159786 63.45916582 -2.89434209 -2.05416792 0.00000000 -0.27060248 0.00000000 0.00000000 442.00000000 10_2C1T3.PDB -40.94906635 -366.56250000 -162.57500000 -540.21728365 -29.20917853 693.63477104 -668.62248513 32.45745086 300.37856446 671.22717681 0.00000000 0.00000000 1.12405600 32.85319618 63.50976945 -2.91487136 -2.15760794 0.00000000 -0.36535509 0.00000000 0.00000000 442.00000000 11_2C1T3.PDB -42.85663573 -367.45000000 -163.46250000 -538.16134097 -28.86299144 690.67731271 -667.42844932 30.12922857 299.86873649 670.61077091 0.00000000 0.00000000 1.12405600 35.19623862 63.45851934 -2.95172619 -2.10586622 0.00000000 -0.04010488 0.00000000 0.00000000 442.00000000 12_2C1T3.PDB -37.66639119 -367.45000000 -161.68750000 -540.49161694 -29.20781788 693.69835415 -668.57026038 35.77971062 300.06405519 671.31924827 0.00000000 0.00000000 1.12405600 32.98880927 63.58470208 -2.91270775 -2.04688014 0.00000000 -0.27384160 0.00000000 0.00000000 442.00000000 13_2C1T3.PDB -49.32267351 -370.07500000 -164.35000000 -540.44179980 -29.16319708 693.14903324 -669.18040334 29.17399270 301.18300734 671.48514570 0.00000000 0.00000000 1.12405600 33.22144549 63.55986582 -2.91389309 -2.07814058 0.00000000 -0.45692007 0.00000000 0.00000000 442.00000000 14_2C1T3.PDB -39.79301942 -366.56250000 -160.80000000 -540.41784917 -29.56770628 693.10279323 -667.90818080 32.45341254 299.81560311 671.06963737 0.00000000 0.00000000 1.12405600 33.41545124 63.51378650 -2.86850454 -2.10823318 0.00000000 -0.54099894 0.00000000 0.00000000 442.00000000 15_2C1T3.PDB -40.18439465 -367.45000000 -159.91250000 -540.83423634 -29.30194584 694.01843815 -669.52787300 33.22718535 299.81566794 670.38029859 0.00000000 0.00000000 1.12405600 33.70809728 63.53900694 -2.91034009 -2.04664335 0.00000000 -0.47459935 0.00000000 0.00000000 442.00000000 16_2C1T3.PDB -44.57378548 -367.45000000 -163.46250000 -540.02797226 -29.25260609 692.95184993 -667.72448324 29.73800038 300.17899240 671.31429921 0.00000000 0.00000000 1.12405600 33.47652075 63.49340105 -2.88122925 -2.12294733 0.00000000 -0.43576599 0.00000000 0.00000000 442.00000000 17_2C1T3.PDB -48.86189714 -370.07500000 -164.35000000 -540.52142160 -29.10056776 692.95509720 -669.11901701 29.40569878 301.12822882 671.69761520 0.00000000 0.00000000 1.12405600 33.28011860 63.65894846 -2.91420432 -2.05663068 0.00000000 -0.31587037 0.00000000 0.00000000 442.00000000 18_2C1T3.PDB -40.11441687 -366.81250000 -161.05000000 -538.41911332 -29.30735764 691.59166755 -666.60294034 33.69067499 299.53222491 669.25396663 0.00000000 0.00000000 1.12405600 32.42573641 63.31913821 -2.92949946 -2.12419911 0.00000000 -0.48713347 0.00000000 0.00000000 442.00000000 19_2C1T3.PDB -45.84825467 -368.33750000 -162.57500000 -540.46819392 -28.54283094 692.92312518 -669.74562255 30.19290148 300.64108464 670.06188177 0.00000000 0.00000000 1.12405600 34.07145945 63.39362545 -2.93401943 -2.04453428 0.00000000 -0.21506204 0.00000000 0.00000000 442.00000000 20_2C1T3.PDB -48.92835826 -369.18750000 -165.23750000 -540.66848320 -29.03678129 693.78946551 -669.37559698 29.23742909 300.75389195 671.92068077 0.00000000 0.00000000 1.12405600 33.27942144 63.55518331 -2.90650100 -2.23375421 0.00000000 -0.38718633 0.00000000 0.00000000 442.00000000 21_2C1T3.PDB -44.64379723 -369.22500000 -163.46250000 -539.58926267 -30.62924075 693.98322653 -668.04765285 31.28019046 301.58003495 670.42198810 0.00000000 0.00000000 1.12405600 33.85502006 63.75049853 -2.91409218 -2.39326319 0.00000000 -0.62730167 0.00000000 0.00000000 442.00000000 22_2C1T3.PDB -44.09865063 -368.30000000 -165.02500000 -540.92553486 -31.08130380 694.44512910 -670.05635305 35.74956485 301.68961858 670.86503149 0.00000000 0.00000000 1.12405600 33.59440648 63.46495987 -2.82398144 -2.26861405 0.00000000 -1.08566992 0.00000000 0.00000000 442.00000000 23_2C1T3.PDB -50.58907746 -371.00000000 -167.01250000 -540.09756246 -28.90618243 692.99590635 -669.52062765 30.09520051 302.10996129 671.02246429 0.00000000 0.00000000 1.12405600 33.55439295 63.66803470 -2.93099478 -2.05979648 0.00000000 0.03660495 0.00000000 0.00000000 442.00000000 24_2C1T3.PDB -45.69614598 -368.33750000 -164.35000000 -539.42567056 -29.12154894 692.86649882 -667.53062588 28.77721680 300.86258435 671.43580993 0.00000000 0.00000000 1.12405600 33.21740124 63.46384898 -2.89145859 -2.06663666 0.00000000 -0.25627248 0.00000000 0.00000000 442.00000000 25_2C1T3.PDB -43.60200861 -367.45000000 -159.91250000 -540.94586484 -28.81378814 693.66348262 -669.85238693 29.52308364 300.17789792 670.83694950 0.00000000 0.00000000 1.12405600 33.43774089 63.48454550 -2.92566267 -2.04975235 0.00000000 -0.41526424 0.00000000 0.00000000 442.00000000 26_2C1T3.PDB -46.83309472 -370.07500000 -162.95000000 -539.21600909 -29.72986342 693.48108276 -666.35845642 29.46042829 300.29491915 670.59990328 0.00000000 0.00000000 1.12405600 33.22877122 63.64099227 -2.91249670 -2.34597324 0.00000000 -1.43445656 0.00000000 0.00000000 442.00000000 27_2C1T3.PDB -46.01467267 -369.18750000 -162.06250000 -539.47534512 -29.62281531 693.39083978 -666.37192463 28.82266572 299.59872867 670.83408801 0.00000000 0.00000000 1.12405600 33.24408351 63.44897082 -2.91537092 -2.16096594 0.00000000 -1.23271244 0.00000000 0.00000000 442.00000000 28_2C1T3.PDB -41.70216335 -366.56250000 -160.80000000 -541.12987593 -30.42130727 694.01831291 -669.46076261 32.27478710 300.74993362 670.93569059 0.00000000 0.00000000 1.12405600 33.01861091 63.48701032 -2.92745753 -2.10376365 0.00000000 -0.41788747 0.00000000 0.00000000 442.00000000 29_2C1T3.PDB -46.72881058 -368.33750000 -164.35000000 -539.64112542 -29.26651412 693.01141194 -669.06143974 29.98686418 300.83672836 670.97165952 0.00000000 0.00000000 1.12405600 33.31839334 63.37945857 -2.85482743 -2.05723803 0.00000000 -0.40927916 0.00000000 0.00000000 442.00000000 30_2C1T3.PDB -42.77090088 -368.30000000 -164.35000000 -540.45253072 -29.51176614 694.29930869 -669.48974216 32.68518293 301.50711040 671.30793896 0.00000000 0.00000000 1.12405600 33.89476482 63.62510962 -2.90396344 -2.16491519 0.00000000 -0.41634504 0.00000000 0.00000000 442.00000000