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_1JUQ2.PDB 2.61344000 -17.27477193 -5.42500000 -5.76250000 -10.49094566 -1.58570749 11.51178198 -15.50894793 0.88551862 5.02468921 5.04782511 0.00000000 0.00000000 0.00000000 0.25815124 0.21492888 0.05571949 -0.33009187 0.00000000 -0.95526462 0.00000000 2.38400000 166.00000000 2_1JUQ2.PDB 2.34534000 -16.22376219 -3.68750000 -3.65000000 -10.05383629 -1.34217794 9.38761759 -15.67079583 0.79120409 3.96209090 5.01221704 0.00000000 0.00000000 0.00000000 0.19311965 0.19044339 0.04740340 -0.01292368 0.00000000 -1.20018111 0.00000000 2.38400000 166.00000000 3_1JUQ2.PDB 3.07200000 -16.45185535 -5.42500000 -5.42500000 -10.21772107 -1.50468138 11.37278768 -15.02690994 0.78794728 4.96587260 4.62872941 0.00000000 0.00000000 0.00000000 0.35263847 0.21234505 0.05524249 -0.09417251 0.00000000 -0.92158838 0.00000000 2.38400000 166.00000000 4_1JUQ2.PDB 2.29689000 -15.49962882 -5.42500000 -5.72500000 -10.06799326 -1.61645353 12.08758337 -14.14316363 0.26434190 4.80215490 5.15193688 0.00000000 0.00000000 0.00000000 0.25012858 0.19219612 0.05553187 -0.29383257 0.00000000 -0.83986334 0.00000000 2.38400000 166.00000000 5_1JUQ2.PDB 2.39575000 -17.15489944 -5.42500000 -5.76250000 -10.32111439 -1.61902148 11.75054393 -14.99247699 0.27204815 5.09510045 4.83666175 0.00000000 0.00000000 0.00000000 0.25601963 0.20224409 0.05510583 -0.37583355 0.00000000 -0.92443276 0.00000000 2.38400000 166.00000000 6_1JUQ2.PDB 2.24349000 -13.93836718 -4.57500000 -4.87500000 -9.33203651 -1.99275575 11.53178143 -13.42390848 0.52525621 4.65250220 4.88644005 0.00000000 0.00000000 0.00000000 0.23396758 0.17607972 0.06184164 -0.36756249 0.00000000 -1.26389305 0.00000000 2.38400000 166.00000000 7_1JUQ2.PDB 3.14064000 -16.18846113 -5.42500000 -5.72500000 -10.53629199 -1.67191223 12.02314471 -15.45231200 0.42708573 5.03635558 5.76262135 0.00000000 0.00000000 0.00000000 0.46767075 0.19919991 0.05518860 -0.28112151 0.00000000 -0.86889012 0.00000000 2.38400000 166.00000000 8_1JUQ2.PDB 2.78901000 -15.42701860 -3.68750000 -3.65000000 -9.81767056 -1.32166778 9.58821320 -15.15284576 0.42646376 3.90148950 4.86914873 0.00000000 0.00000000 0.00000000 0.55770804 0.19098249 0.05249017 -0.00425848 0.00000000 -1.18858942 0.00000000 2.38400000 166.00000000 9_1JUQ2.PDB 2.03513000 -12.85808596 -3.68750000 -3.65000000 -8.82183351 -1.39336369 9.84354744 -12.80218793 0.08917601 3.56157401 5.10512590 0.00000000 0.00000000 0.00000000 0.15180484 0.16256553 0.05483324 -0.05396798 0.00000000 -1.25529430 0.00000000 2.38400000 166.00000000 10_1JUQ2.PDB 2.50131000 -16.13158560 -3.68750000 -3.65000000 -9.89219695 -1.42808602 9.63215586 -15.17458714 0.23959527 3.96635329 4.87176889 0.00000000 0.00000000 0.00000000 0.21385599 0.18346506 0.05577587 -0.00889048 0.00000000 -1.26983016 0.00000000 2.38400000 166.00000000 11_1JUQ2.PDB 2.92175000 -14.66673548 -3.68750000 -3.65000000 -9.05954263 -1.59520992 9.45661402 -13.69828918 0.30839260 3.57696727 4.79784034 0.00000000 0.00000000 0.00000000 0.29011596 0.16426370 0.05090068 -0.03402873 0.00000000 -1.42299590 0.00000000 2.38400000 166.00000000 12_1JUQ2.PDB 2.27312000 -14.17928822 -4.57500000 -4.53750000 -9.75734965 -1.26992823 10.71722661 -14.19862025 0.08993272 4.36085504 4.99670412 0.00000000 0.00000000 0.00000000 0.59409291 0.19068483 0.05520931 0.00287706 0.00000000 -0.65778786 0.00000000 2.38400000 166.00000000 13_1JUQ2.PDB 2.62968000 -16.24440459 -5.42500000 -5.76250000 -10.54161080 -1.65239201 12.02493056 -15.68162964 1.09975623 5.10701171 5.12539382 0.00000000 0.00000000 0.00000000 0.71758716 0.20058595 0.05494238 -0.39993655 0.00000000 -0.91095745 0.00000000 2.38400000 166.00000000 14_1JUQ2.PDB 2.62687000 -16.51905053 -5.42500000 -5.76250000 -10.35689206 -1.64613922 11.98591212 -15.03172194 0.30583959 4.92751087 5.45590789 0.00000000 0.00000000 0.00000000 0.33625056 0.20328541 0.05886989 -0.36584331 0.00000000 -1.00124492 0.00000000 2.38400000 166.00000000 15_1JUQ2.PDB 2.64644000 -13.01961092 -3.68750000 -3.65000000 -9.06881608 -1.42651182 9.59098392 -13.76187577 0.62326561 3.53300500 5.73275209 0.00000000 0.00000000 0.00000000 0.39993229 0.16403742 0.04770501 -0.07142366 0.00000000 -1.28112750 0.00000000 2.38400000 166.00000000 16_1JUQ2.PDB 4.50838000 -16.77078880 -5.42500000 -5.76250000 -10.31056503 -2.15412224 11.78336563 -14.98656417 1.72000083 5.15463946 4.43380834 0.00000000 0.00000000 0.00000000 0.31489398 0.20679881 0.05889224 -0.39398401 0.00000000 -1.20365385 0.00000000 2.38400000 166.00000000 17_1JUQ2.PDB 2.23758000 -16.08727779 -5.42500000 -5.72500000 -10.26673021 -1.80936326 12.22556343 -14.35920261 0.36436855 4.93137251 5.02805057 0.00000000 0.00000000 0.00000000 0.22315110 0.20079824 0.05960299 -0.30687514 0.00000000 -1.02721573 0.00000000 2.38400000 166.00000000 18_1JUQ2.PDB 2.32968000 -16.24901274 -5.42500000 -5.72500000 -10.30826329 -1.68586052 11.93786306 -14.44016702 0.17618041 5.11337950 4.97144115 0.00000000 0.00000000 0.00000000 0.23675347 0.19672804 0.05549053 -0.27907866 0.00000000 -0.87675135 0.00000000 2.38400000 166.00000000 19_1JUQ2.PDB 2.96740000 -15.71087641 -4.57500000 -4.87500000 -9.61370523 -1.56188914 10.52551469 -14.74062992 0.28307048 4.58410190 4.91721136 0.00000000 0.00000000 0.00000000 0.25447287 0.19291801 0.05481926 -0.01315205 0.00000000 -0.95069063 0.00000000 2.38400000 166.00000000 20_1JUQ2.PDB 2.75114000 -16.33409934 -5.42500000 -5.76250000 -10.18411280 -1.66418793 11.80600559 -14.82444443 0.21605371 4.93991307 5.25485582 0.00000000 0.00000000 0.00000000 0.62033201 0.20756408 0.05468405 -0.42981058 0.00000000 -0.93588784 0.00000000 2.38400000 166.00000000 21_1JUQ2.PDB 2.40413000 -15.76134039 -5.42500000 -5.72500000 -10.46221296 -1.71655844 12.46464828 -14.74455567 0.18397332 4.97318065 5.43421121 0.00000000 0.00000000 0.00000000 0.34202742 0.19970869 0.05530929 -0.30450406 0.00000000 -0.83685943 0.00000000 2.38400000 166.00000000 22_1JUQ2.PDB 3.06911000 -16.01565765 -4.57500000 -4.87500000 -10.03609343 -1.88733939 10.68727673 -14.81469014 0.61033120 4.99271741 4.66798379 0.00000000 0.00000000 0.00000000 0.30175834 0.19415927 0.06060091 -0.00890876 0.00000000 -1.13929431 0.00000000 2.38400000 166.00000000 23_1JUQ2.PDB 2.73251000 -15.42758112 -4.57500000 -6.61250000 -10.26866890 -1.83250212 11.68577526 -15.01256210 0.80364819 5.71613526 5.28880039 0.00000000 0.00000000 0.00000000 0.31987354 0.19661338 0.05091254 0.01520603 0.00000000 -1.00669921 0.00000000 2.38400000 166.00000000 24_1JUQ2.PDB 3.34685000 -15.30140769 -4.57500000 -4.83750000 -9.94768675 -1.87031659 10.83557579 -14.84825898 0.26050173 4.78642166 5.59258327 0.00000000 0.00000000 0.00000000 0.33181517 0.19210051 0.05983425 -0.00793097 0.00000000 -1.08144627 0.00000000 2.38400000 166.00000000 25_1JUQ2.PDB 2.45857000 -16.46900599 -3.68750000 -3.65000000 -10.23999063 -1.45626316 9.91573273 -16.16697699 0.38874796 4.35381431 5.04110327 0.00000000 0.00000000 0.00000000 0.24282913 0.18385597 0.06220165 0.00192050 0.00000000 -1.27462476 0.00000000 2.38400000 166.00000000 26_1JUQ2.PDB 3.26458000 -14.84665390 -3.68750000 -3.65000000 -9.82203693 -1.37333606 9.83501201 -14.85560263 0.27180326 3.91445215 5.02865879 0.00000000 0.00000000 0.00000000 0.72156660 0.18888926 0.05476704 0.00695813 0.00000000 -1.29139626 0.00000000 2.38400000 166.00000000 27_1JUQ2.PDB 4.20553000 -14.47679104 -3.68750000 -3.65000000 -9.58831523 -1.41340608 9.55228828 -14.23529470 1.05352256 3.92924682 4.55085259 0.00000000 0.00000000 0.00000000 0.20935013 0.18212516 0.06376326 0.00233038 0.00000000 -1.26362906 0.00000000 2.38400000 166.00000000 28_1JUQ2.PDB 2.76490000 -15.49855478 -3.68750000 -3.65000000 -10.13085569 -1.51151678 9.91678850 -15.53497793 0.91239311 4.33628174 4.65872626 0.00000000 0.00000000 0.00000000 0.54778511 0.19137668 0.05100431 -0.00130908 0.00000000 -1.40537435 0.00000000 2.38400000 166.00000000 29_1JUQ2.PDB 2.54860000 -14.65009248 -3.68750000 -3.65000000 -9.86711930 -1.48517569 9.94859275 -14.77706585 1.19497465 4.03470315 4.90207968 0.00000000 0.00000000 0.00000000 0.13288273 0.17762924 0.05093226 -0.06308607 0.00000000 -1.38431079 0.00000000 2.38400000 166.00000000 30_1JUQ2.PDB 2.23807000 -15.21900765 -3.68750000 -3.65000000 -9.87060547 -1.36951961 9.74773386 -14.67767699 0.35330828 3.98672739 4.98422052 0.00000000 0.00000000 0.00000000 0.13631975 0.18202247 0.04756224 0.02342271 0.00000000 -1.24300032 0.00000000 2.38400000 166.00000000