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_1NEX2.PDB 12.92610000 -14.46060933 -0.88750000 -10.17500000 -7.22384594 -3.88863867 10.11203225 -8.75396041 0.73553874 3.73612131 1.73311251 0.00000000 0.00000000 0.00000000 2.69986749 0.06729723 0.00000000 -0.39808945 0.00000000 -2.15024716 0.00000000 2.38400000 452.00000000 2_1NEX2.PDB 13.49210000 -14.83985713 -0.88750000 -6.37500000 -7.20467855 -3.72931361 9.39015105 -9.25197998 0.29752481 1.75045215 1.44194362 0.00000000 0.00000000 0.00000000 2.80502159 0.06610562 0.00000000 -0.75356768 0.00000000 -2.32291052 0.00000000 2.38400000 452.00000000 3_1NEX2.PDB 12.42750000 -14.47353728 -1.48750000 -10.81250000 -7.31315101 -3.71947153 10.25425860 -8.89322256 1.38173634 3.76061993 1.88726747 0.00000000 0.00000000 0.00000000 2.95952069 0.19823659 0.00000000 -0.49328766 0.00000000 -1.99780755 0.00000000 2.38400000 452.00000000 4_1NEX2.PDB 11.96880000 -14.23274456 -0.88750000 -5.11250000 -7.52394796 -3.89741151 9.26982162 -10.00992395 0.29553594 3.09498886 1.90354514 0.00000000 0.00000000 0.00000000 1.45969355 0.08982075 0.00000000 -0.46935184 0.00000000 -2.35569440 0.00000000 2.38400000 452.00000000 5_1NEX2.PDB 5.85412000 -14.34324311 -0.88750000 -6.88750000 -7.33735410 -4.07521881 10.08348144 -8.98151595 0.23333966 3.44060693 1.79908474 0.00000000 0.00000000 0.00000000 1.36287081 0.09555535 0.00000000 -0.90999428 0.00000000 -2.18354355 0.00000000 2.38400000 452.00000000 6_1NEX2.PDB 11.80850000 -15.56854168 -1.48750000 -4.31250000 -8.05008023 -3.80813574 9.73254644 -10.26446608 0.98281004 2.09461321 1.76073479 0.00000000 0.00000000 0.00000000 1.49561078 0.20916921 0.00000000 -1.42238295 0.00000000 -2.28979195 0.00000000 2.38400000 452.00000000 7_1NEX2.PDB 5.96710000 -13.82794270 -0.88750000 -6.88750000 -7.22373359 -3.75845612 9.74189615 -8.89929353 0.30979967 3.39131156 1.73007621 0.00000000 0.00000000 0.00000000 1.37189150 0.09033609 0.00000000 -0.58332543 0.00000000 -2.13310913 0.00000000 2.38400000 452.00000000 8_1NEX2.PDB 13.33420000 -14.99185320 -0.88750000 -10.47500000 -7.28662903 -3.74283965 9.94860898 -9.15492198 0.96060774 3.39159883 1.77203960 0.00000000 0.00000000 0.00000000 2.68530977 0.06579616 0.00000000 -0.19707381 0.00000000 -2.00605365 0.00000000 2.38400000 452.00000000 9_1NEX2.PDB 12.33310000 -15.36124797 -1.48750000 -4.01250000 -7.69014616 -3.86468946 9.11461086 -10.26045947 0.88425468 1.96304354 2.06041521 0.00000000 0.00000000 0.00000000 1.48427954 0.21001464 0.00000000 -1.25641843 0.00000000 -2.29613829 0.00000000 2.38400000 452.00000000 10_1NEX2.PDB 12.37810000 -14.86742852 -0.88750000 -7.45000000 -7.37007371 -5.00094940 10.30039023 -8.86130633 0.77315754 2.71704607 1.60541535 0.00000000 0.00000000 0.00000000 2.73952359 0.08991001 0.00000000 -0.53089212 0.00000000 -2.90223974 0.00000000 2.38400000 452.00000000 11_1NEX2.PDB 7.96873000 -14.99169845 -0.88750000 -6.96250000 -7.37477592 -4.08784173 9.23254438 -9.35068938 0.72488722 2.02588921 1.56112602 0.00000000 0.00000000 0.00000000 2.83142341 0.08958639 0.00000000 -0.31978015 0.00000000 -2.38448151 0.00000000 2.38400000 452.00000000 12_1NEX2.PDB 7.23724000 -14.81067361 -0.88750000 -10.47500000 -7.37035942 -3.80540083 10.11889211 -9.10562519 0.89195175 3.43749348 1.93716647 0.00000000 0.00000000 0.00000000 2.71587263 0.19847357 0.00000000 -0.18547813 0.00000000 -2.08268648 0.00000000 2.38400000 452.00000000 13_1NEX2.PDB 7.79137000 -15.70870450 -0.88750000 -8.36250000 -7.12434628 -4.00340264 9.13920700 -9.03365391 0.67328648 2.39681127 1.53415982 0.00000000 0.00000000 0.00000000 2.75985708 0.06617308 0.00000000 -0.40153470 0.00000000 -2.39908862 0.00000000 2.38400000 452.00000000 14_1NEX2.PDB 13.00610000 -14.29040268 -0.88750000 -5.56250000 -7.26179195 -5.01986435 9.46457390 -9.06166540 0.90481210 2.14970375 1.60732862 0.00000000 0.00000000 0.00000000 2.73267524 0.09149937 0.00000000 -0.35064199 0.00000000 -3.00553262 0.00000000 2.38400000 452.00000000 15_1NEX2.PDB 5.82489000 -14.97243213 -0.88750000 -6.81250000 -7.37949104 -3.31186890 9.31404647 -9.47421993 0.19389677 3.04998269 1.80771398 0.00000000 0.00000000 0.00000000 1.64571523 0.06913395 0.00000000 -1.06922146 0.00000000 -2.04898594 0.00000000 2.38400000 452.00000000 16_1NEX2.PDB 10.67270000 -14.27931849 -0.88750000 -6.55000000 -7.01535867 -1.76267414 7.45438566 -9.34799568 0.10920151 2.88422834 1.44285446 0.00000000 0.00000000 0.00000000 0.76416091 0.06620281 0.00000000 -0.36313732 0.00000000 -1.00748356 0.00000000 2.38400000 452.00000000 17_1NEX2.PDB 13.49340000 -15.29132401 -0.88750000 -6.37500000 -7.45526670 -3.63878089 9.56453172 -9.79193993 0.28240939 1.57852960 1.60757392 0.00000000 0.00000000 0.00000000 2.82276551 0.06802833 0.00000000 -0.75801388 0.00000000 -2.24063275 0.00000000 2.38400000 452.00000000 18_1NEX2.PDB 11.80920000 -16.06543912 -0.88750000 -7.48750000 -7.27028424 -4.14140362 9.56526398 -8.93182663 0.21645997 2.74631100 1.63248200 0.00000000 0.00000000 0.00000000 1.77133333 0.10417376 0.00000000 -0.80505280 0.00000000 -2.47372211 0.00000000 2.38400000 452.00000000 19_1NEX2.PDB 12.37930000 -15.11859744 -1.48750000 -9.82500000 -7.71079434 -4.84935318 12.05585936 -9.41667850 0.62528594 4.13246162 2.05780081 0.00000000 0.00000000 0.00000000 2.70688011 0.21851049 0.00000000 -0.65127934 0.00000000 -2.75627992 0.00000000 2.38400000 452.00000000 20_1NEX2.PDB 7.17659000 -14.62658673 -0.88750000 -10.47500000 -7.30236967 -3.74892128 10.11178349 -8.98840819 0.72380127 3.39362555 1.92998164 0.00000000 0.00000000 0.00000000 2.78317862 0.20242610 0.00000000 -0.15911904 0.00000000 -2.00763913 0.00000000 2.38400000 452.00000000 21_1NEX2.PDB 6.53163000 -12.87858375 -0.88750000 -5.11250000 -7.45627297 -3.71161330 9.57482989 -9.52699606 0.75086653 2.85369457 1.91272956 0.00000000 0.00000000 0.00000000 1.46741803 0.19521623 0.00000000 -0.38413783 0.00000000 -2.35910216 0.00000000 2.38400000 452.00000000 22_1NEX2.PDB 10.93300000 -13.43253219 -0.88750000 -3.71250000 -7.85207063 -5.04152523 10.20743592 -10.00466918 0.69854423 3.34642501 1.90780764 0.00000000 0.00000000 0.00000000 1.43197512 0.09887855 0.00000000 -0.45896783 0.00000000 -3.06748724 0.00000000 2.38400000 452.00000000 23_1NEX2.PDB 5.78589000 -12.90181733 -0.88750000 -5.11250000 -7.07635925 -3.89638170 9.33238395 -8.95880477 0.27125091 3.06176563 1.72658864 0.00000000 0.00000000 0.00000000 1.41596629 0.06312115 0.00000000 -0.37793080 0.00000000 -2.40029624 0.00000000 2.38400000 452.00000000 24_1NEX2.PDB 11.13700000 -13.65064477 -0.88750000 -5.11250000 -7.60748142 -3.71236641 9.63676267 -9.83888562 0.53003629 2.82800839 1.83543175 0.00000000 0.00000000 0.00000000 1.47674679 0.06773965 0.00000000 -0.55802685 0.00000000 -2.24087034 0.00000000 2.38400000 452.00000000 25_1NEX2.PDB 6.48487000 -14.90605548 -0.88750000 -8.58750000 -7.14390182 -3.25436561 9.37166299 -9.09721354 0.15406660 3.14506647 1.85588145 0.00000000 0.00000000 0.00000000 2.20151665 0.06769926 0.00000000 -0.80719268 0.00000000 -1.85657599 0.00000000 2.38400000 452.00000000 26_1NEX2.PDB 6.77637000 -15.09509126 -0.88750000 -3.67500000 -7.55460050 -4.12775092 9.11572444 -9.96511083 0.46935493 1.61870682 2.01947096 0.00000000 0.00000000 0.00000000 1.41890840 0.20298234 0.00000000 -1.10369235 0.00000000 -2.42360223 0.00000000 2.38400000 452.00000000 27_1NEX2.PDB 6.46357000 -14.64669809 -0.88750000 -4.05000000 -7.58266693 -4.99790198 9.99799547 -9.19373453 0.61220065 2.48728073 1.68886792 0.00000000 0.00000000 0.00000000 1.41617362 0.09126804 0.00000000 -1.13314369 0.00000000 -3.00426936 0.00000000 2.38400000 452.00000000 28_1NEX2.PDB 11.42930000 -14.46310755 -0.88750000 -3.67500000 -7.43369961 -2.69044790 7.43884463 -10.17579859 0.55878288 2.22711442 1.53422715 0.00000000 0.00000000 0.00000000 0.62245951 0.09470206 0.00000000 -0.53727263 0.00000000 -1.44481741 0.00000000 2.38400000 452.00000000 29_1NEX2.PDB 11.46880000 -13.80371480 -0.88750000 -7.22500000 -7.32829475 -4.05557264 9.43735944 -9.40225913 1.52866481 3.98745676 1.91515661 0.00000000 0.00000000 0.00000000 1.44525515 0.09967303 0.00000000 -0.60578606 0.00000000 -2.61319499 0.00000000 2.38400000 452.00000000 30_1NEX2.PDB 12.02680000 -14.54641874 -1.48750000 -2.91250000 -7.55204076 -5.05649936 9.81062065 -9.43335254 1.07476809 2.13820375 1.81562129 0.00000000 0.00000000 0.00000000 1.38562454 0.20711825 0.00000000 -1.26527475 0.00000000 -3.06408964 0.00000000 2.38400000 452.00000000