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_1NEX2.PDB 43.58800340 -351.32500000 -207.30000000 -568.35083895 -29.15553994 739.85629594 -683.87691135 69.07671089 289.93688906 730.54645103 0.00000000 0.00000000 0.11786197 60.25201287 97.24869978 -1.69978141 -2.33989955 0.00000000 -2.15024716 0.00000000 0.00000000 452.00000000 2_1NEX2.PDB 44.17863986 -352.21250000 -204.23750000 -568.50667803 -28.39014964 739.48817046 -683.74582875 68.39539204 288.68130632 730.45651487 0.00000000 0.00000000 0.11786197 60.42198836 97.24343770 -1.69978141 -2.26724580 0.00000000 -2.32291052 0.00000000 0.00000000 452.00000000 3_1NEX2.PDB 42.61004368 -351.92500000 -207.93750000 -568.46712728 -29.07410704 740.02886062 -684.08755875 69.07866354 289.76063248 730.79199276 0.00000000 0.00000000 0.11786197 60.42078334 97.38577131 -1.69978141 -2.39986899 0.00000000 -1.99780755 0.00000000 0.00000000 452.00000000 4_1NEX2.PDB 42.03677673 -351.32500000 -202.93750000 -568.47792199 -28.98286547 739.00151553 -684.28173675 67.94264287 289.15796063 730.62639684 0.00000000 0.00000000 0.11786197 57.49732475 97.27100328 -1.69978141 -2.24642583 0.00000000 -2.35569440 0.00000000 0.00000000 452.00000000 5_1NEX2.PDB 34.33228356 -351.32500000 -204.71250000 -568.15121911 -29.63866370 740.08407756 -683.33160971 59.45861674 290.00120695 730.33322409 0.00000000 0.00000000 0.11786197 57.65914334 97.27587361 -1.69978141 -2.27952960 0.00000000 -2.18354355 0.00000000 0.00000000 452.00000000 6_1NEX2.PDB 41.12700779 -352.81250000 -203.02500000 -569.35859774 -28.65018354 740.30649500 -684.86405612 68.79522136 288.84753085 730.73620973 0.00000000 0.00000000 0.11786197 57.48315090 97.38478488 -1.69978141 -2.45955125 0.00000000 -2.28979195 0.00000000 0.00000000 452.00000000 7_1NEX2.PDB 34.07480976 -351.32500000 -204.71250000 -567.91344501 -28.99724851 739.60874092 -682.55448247 58.79802959 289.74788268 730.02221626 0.00000000 0.00000000 0.11786197 57.33804147 97.26868088 -1.69978141 -2.22239659 0.00000000 -2.13310913 0.00000000 0.00000000 452.00000000 8_1NEX2.PDB 43.43655472 -351.32500000 -207.60000000 -568.51470353 -29.09933690 739.72634482 -683.80521250 69.77280530 289.34168024 730.72786873 0.00000000 0.00000000 0.11786197 60.06734564 97.23653702 -1.69978141 -2.26726398 0.00000000 -2.00605365 0.00000000 0.00000000 452.00000000 9_1NEX2.PDB 42.18197306 -352.81250000 -202.72500000 -568.72395053 -28.84442926 739.69694430 -684.59387619 69.24742976 288.62433809 730.97765272 0.00000000 0.00000000 0.11786197 57.51352748 97.38001110 -1.69978141 -2.30010558 0.00000000 -2.29613829 0.00000000 0.00000000 452.00000000 10_1NEX2.PDB 44.02486932 -352.21250000 -204.76250000 -568.46701906 -30.20745279 740.69186792 -683.93204842 68.68974232 289.95537749 730.68707822 0.00000000 0.00000000 0.11786197 60.28063817 97.27229940 -1.69978141 -2.21415534 0.00000000 -2.90223974 0.00000000 0.00000000 452.00000000 11_1NEX2.PDB 36.78142229 -352.21250000 -204.97500000 -568.37889028 -28.87282693 740.10178423 -683.08273027 59.87776992 289.23897322 730.19890322 0.00000000 0.00000000 0.11786197 61.11781178 97.26524489 -1.69978141 -2.26547165 0.00000000 -2.38448151 0.00000000 0.00000000 452.00000000 12_1NEX2.PDB 35.67593447 -351.32500000 -207.60000000 -568.12423667 -29.10830812 740.04232793 -683.39871195 59.94777071 289.68227231 730.52914190 0.00000000 0.00000000 0.11786197 60.93025843 97.38185621 -1.69978141 -2.23497415 0.00000000 -2.08268648 0.00000000 0.00000000 452.00000000 13_1NEX2.PDB 35.52986948 -352.21250000 -206.37500000 -567.95285036 -29.08428852 739.75060743 -682.81673320 59.92244239 289.60226816 730.21513864 0.00000000 0.00000000 0.11786197 60.78781322 97.24281978 -1.69978141 -2.32602021 0.00000000 -2.39908862 0.00000000 0.00000000 452.00000000 14_1NEX2.PDB 44.28608733 -352.21250000 -203.57500000 -568.48817379 -29.98280778 739.97322320 -683.47262260 68.70479001 289.31195392 730.68489749 0.00000000 0.00000000 0.11786197 60.20073130 97.27681119 -1.69978141 -2.27095236 0.00000000 -3.00553262 0.00000000 0.00000000 452.00000000 15_1NEX2.PDB 34.18330847 -351.32500000 -204.63750000 -568.32228306 -28.57061524 739.38343178 -682.73774724 58.90862800 289.37417727 730.22419158 0.00000000 0.00000000 0.11786197 57.86529804 97.23944607 -1.69978141 -2.34836726 0.00000000 -2.04898594 0.00000000 0.00000000 452.00000000 16_1NEX2.PDB 39.40678741 -351.32500000 -204.37500000 -568.01048399 -27.65285251 736.75222681 -684.38243815 67.74884745 289.25117094 729.59048741 0.00000000 0.00000000 0.11786197 56.65858454 97.24588498 -1.69978141 -2.25935208 0.00000000 -1.00748356 0.00000000 0.00000000 452.00000000 17_1NEX2.PDB 43.75609148 -352.21250000 -204.23750000 -568.85541260 -28.42171854 739.58284162 -683.88013778 68.48188951 288.27036440 730.67717350 0.00000000 0.00000000 0.11786197 60.40690530 97.23988802 -1.69978141 -2.23326172 0.00000000 -2.24063275 0.00000000 0.00000000 452.00000000 18_1NEX2.PDB 39.94966817 -352.21250000 -206.20000000 -568.28574030 -29.78708160 740.03593324 -683.88410976 67.53497409 290.22620630 730.90185069 0.00000000 0.00000000 0.11786197 57.90065025 97.28404488 -1.69978141 -2.22487318 0.00000000 -2.47372211 0.00000000 0.00000000 452.00000000 19_1NEX2.PDB 41.71709085 -351.92500000 -207.65000000 -568.73776272 -30.27729444 741.65183645 -684.48554813 68.59554103 290.30386575 731.06438480 0.00000000 0.00000000 0.11786197 59.82587467 97.39169923 -1.69978141 -2.31060719 0.00000000 -2.75627992 0.00000000 0.00000000 452.00000000 20_1NEX2.PDB 34.53808295 -351.32500000 -207.60000000 -568.15851486 -29.10293540 740.01046669 -682.98862543 59.26893375 289.56021640 730.34619918 0.00000000 0.00000000 0.11786197 60.38375420 97.38258613 -1.69978141 -2.26685300 0.00000000 -2.00763913 0.00000000 0.00000000 452.00000000 21_1NEX2.PDB 36.60439866 -351.32500000 -202.93750000 -568.53564616 -28.61247010 739.85329457 -683.46739955 60.22189234 288.99042258 730.50932795 0.00000000 0.00000000 0.11786197 58.00197997 97.37187850 -1.69978141 -2.15348134 0.00000000 -2.35910216 0.00000000 0.00000000 452.00000000 22_1NEX2.PDB 42.54865459 -351.32500000 -201.53750000 -568.81663727 -30.27794412 739.81171493 -684.38524882 68.29853700 289.61680161 730.73424348 0.00000000 0.00000000 0.11786197 57.31362168 97.27631418 -1.69978141 -2.23452719 0.00000000 -3.06748724 0.00000000 0.00000000 452.00000000 23_1NEX2.PDB 35.48133709 -351.32500000 -202.93750000 -567.97513285 -28.95064930 739.37961534 -682.42134709 59.01757843 289.28284469 730.09148889 0.00000000 0.00000000 0.11786197 57.48017848 97.24162333 -1.69978141 -2.17852382 0.00000000 -2.40029624 0.00000000 0.00000000 452.00000000 24_1NEX2.PDB 43.15395469 -351.32500000 -202.93750000 -568.74801420 -28.82307364 739.60906586 -683.74471498 68.53519868 288.63919511 730.66536398 0.00000000 0.00000000 0.11786197 57.42789381 97.24557229 -1.69978141 -2.32167014 0.00000000 -2.24087034 0.00000000 0.00000000 452.00000000 25_1NEX2.PDB 34.91157323 -351.32500000 -206.41250000 -568.22274381 -28.76038024 739.66054655 -683.17635873 59.52121898 289.40150765 730.54770428 0.00000000 0.00000000 0.11786197 59.36124438 97.25165999 -1.69978141 -2.24517038 0.00000000 -1.85657599 0.00000000 0.00000000 452.00000000 26_1NEX2.PDB 34.89716748 -352.21250000 -202.38750000 -568.35386293 -29.02815813 739.93609470 -683.67329090 59.83914392 288.55836306 730.54778915 0.00000000 0.00000000 0.11786197 57.83228252 97.38264507 -1.69978141 -2.15567223 0.00000000 -2.42360223 0.00000000 0.00000000 452.00000000 27_1NEX2.PDB 35.30434225 -352.21250000 -202.76250000 -568.35541106 -30.01515457 740.81953055 -683.49239152 59.84213139 289.93866470 730.29978690 0.00000000 0.00000000 0.11786197 58.04090867 97.26777699 -1.69978141 -2.21253400 0.00000000 -3.00426936 0.00000000 0.00000000 452.00000000 28_1NEX2.PDB 39.78995936 -351.32500000 -201.50000000 -568.58622282 -28.25075088 736.92667754 -684.55515079 67.80495719 288.39715966 729.65972621 0.00000000 0.00000000 0.11786197 56.43121992 97.27167272 -1.69978141 -2.18591980 0.00000000 -1.44481741 0.00000000 0.00000000 452.00000000 29_1NEX2.PDB 43.94828491 -351.32500000 -203.31250000 -568.48277657 -29.53743302 738.99661861 -683.85646785 69.34037864 290.03450849 730.96153903 0.00000000 0.00000000 0.11786197 57.51799892 97.27683154 -1.69978141 -2.19346690 0.00000000 -2.61319499 0.00000000 0.00000000 452.00000000 30_1NEX2.PDB 43.11340680 -352.81250000 -201.62500000 -568.95419299 -29.96327043 740.52623720 -684.16260651 69.86000402 289.07059718 730.95348799 0.00000000 0.00000000 0.11786197 57.15169813 97.39624296 -1.69978141 -2.28503872 0.00000000 -3.06408964 0.00000000 0.00000000 452.00000000