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_2C7N2.PDB 3.58945000 -6.62358858 -4.36250000 -7.52500000 -14.04558196 -4.94418035 19.77379907 -20.26167964 17.51265303 7.62747644 2.28489514 0.00000000 0.00000000 0.00000000 0.84360286 0.57129900 0.00436821 -0.54151218 0.00000000 -2.98992920 0.00000000 2.38400000 93.00000000 2_2C7N2.PDB 3.66114000 -10.83375709 -5.25000000 -7.32500000 -15.78541950 -7.29421191 20.79317774 -22.35678433 18.32908918 8.15631840 2.71411540 0.00000000 0.00000000 0.00000000 1.19652725 0.69537927 0.00437088 -0.97672928 0.00000000 -3.03921094 0.00000000 2.38400000 93.00000000 3_2C7N2.PDB 4.33216000 -21.99969854 -4.36250000 -7.52500000 -14.30426763 -5.20257597 20.13918136 -20.71202697 2.23073129 7.63646477 2.57281276 0.00000000 0.00000000 0.00000000 1.13760025 0.44533731 0.00426302 -0.69089847 0.00000000 -2.92348296 0.00000000 2.38400000 93.00000000 4_2C7N2.PDB 4.18926000 -8.57329545 -4.40000000 -7.22500000 -14.29749617 -4.44563519 19.49527337 -20.75246156 14.33472432 7.71171247 2.86111623 0.00000000 0.00000000 0.00000000 1.51994258 0.70368024 0.00436821 -0.62792163 0.00000000 -2.75191807 0.00000000 2.38400000 93.00000000 5_2C7N2.PDB 3.43189000 -20.94615004 -5.25000000 -8.45000000 -15.05788696 -5.11627331 20.80511294 -21.98716564 5.13743018 7.56604227 2.96599780 0.00000000 0.00000000 0.00000000 1.74613514 0.82898955 0.00436821 -0.53009615 0.00000000 -2.77981452 0.00000000 2.38400000 93.00000000 6_2C7N2.PDB 3.54693000 -6.86903070 -5.25000000 -8.11250000 -14.19539038 -5.11025453 21.09758873 -20.71829849 17.41133336 7.34063299 2.92674323 0.00000000 0.00000000 0.00000000 1.20215089 0.67604202 0.00443656 -0.57959344 0.00000000 -2.88587960 0.00000000 2.38400000 93.00000000 7_2C7N2.PDB 3.44511000 -24.06238097 -6.13750000 -9.37500000 -15.20469325 -8.21475734 21.90545509 -20.83874779 4.54277414 8.19842500 2.68710125 0.00000000 0.00000000 0.00000000 2.11771915 0.37735357 0.00435681 -0.93127019 0.00000000 -2.81624385 0.00000000 2.38400000 93.00000000 8_2C7N2.PDB 4.22149000 -9.51975682 -5.25000000 -8.07500000 -15.05535667 -3.92096516 20.68478843 -21.97309509 15.22215691 7.83951128 2.90944212 0.00000000 0.00000000 0.00000000 1.24511669 0.77059946 0.00441988 -0.54479028 0.00000000 -2.60598493 0.00000000 2.38400000 93.00000000 9_2C7N2.PDB 3.67263000 -21.51049206 -5.25000000 -8.11250000 -13.83460086 -4.43710515 19.90731068 -20.17146072 1.54073372 7.43995699 2.83666988 0.00000000 0.00000000 0.00000000 1.82892408 0.45448668 0.00424221 -0.54437923 0.00000000 -2.71828365 0.00000000 2.38400000 93.00000000 10_2C7N2.PDB 3.69634000 -4.55848717 -6.10000000 -8.66250000 -14.21516993 -3.98834860 21.28183834 -20.41076973 17.59276833 8.54846377 3.14972308 0.00000000 0.00000000 0.00000000 1.17461136 0.58271252 0.00431248 -0.44472738 0.00000000 -2.48868889 0.00000000 2.38400000 93.00000000 11_2C7N2.PDB 3.11008000 -10.76074955 -6.98750000 -9.55000000 -15.23619094 -6.96017593 22.27269202 -21.41206985 17.54463761 8.45855035 2.90500738 0.00000000 0.00000000 0.00000000 1.47268561 0.68307069 0.00436821 -0.79348911 0.00000000 -2.47926491 0.00000000 2.38400000 93.00000000 12_2C7N2.PDB 4.12938000 -25.52984628 -6.98750000 -10.22500000 -15.38282411 -7.00536820 22.02195707 -21.10719993 2.05216252 8.25832066 2.79529706 0.00000000 0.00000000 0.00000000 3.28695310 0.66876739 0.00422931 -0.60693477 0.00000000 -2.63393901 0.00000000 2.38400000 93.00000000 13_2C7N2.PDB 3.09292000 -5.16750034 -4.36250000 -6.88750000 -14.36814578 -4.96424354 20.74698508 -20.87294982 17.85229473 7.79035008 2.37164329 0.00000000 0.00000000 0.00000000 0.85232332 0.68910115 0.00436821 -0.52773112 0.00000000 -2.80239479 0.00000000 2.38400000 93.00000000 14_2C7N2.PDB 3.28498000 -6.30262785 -5.25000000 -8.07500000 -14.46311146 -4.56317594 20.55338774 -20.79311527 17.69083608 7.78813754 2.91045428 0.00000000 0.00000000 0.00000000 1.25479952 0.69919224 0.00440849 -0.56126963 0.00000000 -2.79897921 0.00000000 2.38400000 93.00000000 15_2C7N2.PDB 3.82459000 -1.75000001 -4.36250000 -6.47500000 -14.05156757 -2.39774049 19.07637298 -21.01660412 17.98827063 7.02871546 3.57482869 0.00000000 0.00000000 0.00000000 1.17279324 0.60798513 0.00432880 -0.46678290 0.00000000 -1.82511473 0.00000000 2.38400000 93.00000000 16_2C7N2.PDB 3.66861000 -13.87074022 -6.98750000 -9.85000000 -15.44488386 -6.40698934 22.10044071 -21.30873347 14.37612972 8.55348104 2.84972612 0.00000000 0.00000000 0.00000000 1.30628705 0.62426461 0.00436821 -0.56424939 0.00000000 -2.49881700 0.00000000 2.38400000 93.00000000 17_2C7N2.PDB 3.86851000 -8.46292375 -4.40000000 -7.26250000 -14.01371510 -4.30971170 19.65611962 -20.55038009 13.78579383 7.74590478 2.83246703 0.00000000 0.00000000 0.00000000 1.16969514 0.61109200 0.00436821 -0.53173665 0.00000000 -2.58922881 0.00000000 2.38400000 93.00000000 18_2C7N2.PDB 3.62726000 -11.55552593 -6.98750000 -9.85000000 -15.54828986 -7.10968823 22.14878538 -21.68893283 17.74933174 8.55324776 2.93897090 0.00000000 0.00000000 0.00000000 1.55340296 0.70976207 0.00433437 -0.64212064 0.00000000 -2.67706747 0.00000000 2.38400000 93.00000000 19_2C7N2.PDB 4.37198000 -13.76121872 -4.40000000 -7.60000000 -13.74338317 -4.88106097 18.79691838 -19.92142577 5.22537042 7.41433251 2.88599656 0.00000000 0.00000000 0.00000000 5.97591834 0.65489896 0.00436232 -0.74018198 0.00000000 -2.77806536 0.00000000 2.38400000 93.00000000 20_2C7N2.PDB 4.32802000 -9.84670638 -5.25000000 -8.07500000 -14.34167229 -4.40052145 20.45454229 -20.82426263 13.87816914 7.75971807 2.86619699 0.00000000 0.00000000 0.00000000 1.31834809 0.68919406 0.00436821 -0.51421590 0.00000000 -2.72237690 0.00000000 2.38400000 93.00000000 21_2C7N2.PDB 4.02786000 -17.29244110 -5.28750000 -6.03750000 -13.38724630 -5.07811989 19.43456461 -18.40154693 1.00747591 7.04869560 2.74129957 0.00000000 0.00000000 0.00000000 4.02479095 0.64945157 0.00430342 -0.53131971 0.00000000 -2.83033832 0.00000000 2.38400000 93.00000000 22_2C7N2.PDB 2.98179000 -5.73829929 -5.25000000 -7.40000000 -14.38899728 -4.61926702 20.79121111 -20.98126845 17.58841509 7.64577949 2.87944484 0.00000000 0.00000000 0.00000000 1.16640479 0.69935014 0.00438756 -0.51647944 0.00000000 -2.65792998 0.00000000 2.38400000 93.00000000 23_2C7N2.PDB 3.61079000 -9.71755504 -6.98750000 -9.88750000 -15.40815312 -7.95491631 22.89222040 -21.13633018 18.87969206 9.29306262 2.78270361 0.00000000 0.00000000 0.00000000 1.45889865 0.56046156 0.00434311 -0.83412042 0.00000000 -2.81995547 0.00000000 2.38400000 93.00000000 24_2C7N2.PDB 4.95128000 -22.03837451 -4.36250000 -9.93750000 -13.15297222 -5.82412139 19.84537901 -18.95743356 0.54797828 7.00589214 2.31856932 0.00000000 0.00000000 0.00000000 3.94960443 0.65396387 0.00436821 -0.63407107 0.00000000 -2.84156765 0.00000000 2.38400000 93.00000000 25_2C7N2.PDB 3.74580000 -25.21246618 -6.13750000 -9.37500000 -15.80691944 -7.72907565 22.51869528 -22.35289663 0.66059507 8.14858601 2.99283226 0.00000000 0.00000000 0.00000000 5.43393760 0.91983597 0.00440903 -0.98709081 0.00000000 -2.58303890 0.00000000 2.38400000 93.00000000 26_2C7N2.PDB 3.76983000 -9.49257975 -4.36250000 -9.52500000 -14.46262903 -5.92905173 20.61128821 -20.87945466 17.77436827 7.70671205 2.37051421 0.00000000 0.00000000 0.00000000 0.85494594 0.74589090 0.00443210 -0.53767426 0.00000000 -3.11853084 0.00000000 2.38400000 93.00000000 27_2C7N2.PDB 4.14158000 -14.84030032 -6.98750000 -9.88750000 -15.61412725 -6.63341433 22.23382507 -22.20162030 14.30181935 8.47974443 2.89863443 0.00000000 0.00000000 0.00000000 1.45463338 0.61291856 0.00437214 -0.55479952 0.00000000 -2.33436773 0.00000000 2.38400000 93.00000000 28_2C7N2.PDB 2.96778000 -4.68414666 -5.25000000 -7.77500000 -14.20839892 -4.00755845 20.76808255 -20.93131246 18.04239049 7.71013131 2.94646713 0.00000000 0.00000000 0.00000000 0.98249959 0.75187406 0.00436821 -0.52860397 0.00000000 -2.43721215 0.00000000 2.38400000 93.00000000 29_2C7N2.PDB 4.57820000 -15.38216863 -6.98750000 -9.47500000 -15.60518721 -7.08677649 21.91788882 -21.72722562 14.50613377 7.54340363 2.85548444 0.00000000 0.00000000 0.00000000 1.69362288 0.68869328 0.00435299 -0.79149963 0.00000000 -2.22986619 0.00000000 2.38400000 93.00000000 30_2C7N2.PDB 3.02169000 -0.03047293 -5.25000000 -6.03750000 -14.07453376 -4.08338258 20.43135238 -20.48265633 20.80788724 7.58753014 3.12580208 0.00000000 0.00000000 0.00000000 0.79938021 0.63179081 0.00436050 -0.51615362 0.00000000 -2.34255920 0.00000000 2.38400000 93.00000000