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_1SMH2.PDB -78.97384362 -291.76250000 -169.77500000 -462.65261538 -41.41726183 609.38724540 -564.05012492 16.72398210 261.16703179 551.83750755 0.00000000 0.00000000 0.00000000 20.65621705 28.46615889 -1.53848472 -2.14434391 0.00000000 -5.40549674 0.00000000 0.00000000 370.00000000 2_1SMH2.PDB -79.85954444 -290.87500000 -167.70000000 -463.99543660 -43.25876384 610.10146443 -564.06864998 13.06685729 262.84756250 552.50238345 0.00000000 0.00000000 0.00000000 21.58259005 28.29578913 -1.45601123 -2.31472461 0.00000000 -6.29181591 0.00000000 0.00000000 370.00000000 3_1SMH2.PDB -78.16135370 -291.93750000 -167.06250000 -463.48063153 -42.68563434 607.71233356 -564.87504537 16.09286035 262.79293465 553.64816687 0.00000000 0.00000000 0.00000000 21.49803678 28.43547586 -1.44596914 -2.45530636 0.00000000 -5.96309916 0.00000000 0.00000000 370.00000000 4_1SMH2.PDB -79.06547382 -290.46250000 -165.17500000 -462.51997215 -43.20531463 604.84811529 -564.54905654 12.83595933 263.04542634 551.26210593 0.00000000 0.00000000 0.00000000 23.46241855 28.55046174 -0.68921870 -2.53417697 0.00000000 -5.38426026 0.00000000 0.00000000 370.00000000 5_1SMH2.PDB -84.72326139 -289.53750000 -168.05000000 -461.59747492 -40.38318087 603.32553743 -563.17821595 11.93934696 259.31426493 551.59526828 0.00000000 0.00000000 0.00000000 20.66507443 28.20785240 -0.97237128 -2.72824723 0.00000000 -5.11576316 0.00000000 0.00000000 370.00000000 6_1SMH2.PDB -80.87038824 -290.13750000 -168.06250000 -463.33640881 -42.01765249 608.78692922 -564.33360451 13.16672067 258.82526811 552.85082209 0.00000000 0.00000000 0.00000000 23.04529350 28.48920116 -0.75502743 -3.03780622 0.00000000 -5.86492236 0.00000000 0.00000000 370.00000000 7_1SMH2.PDB -80.80382067 -291.31250000 -165.88750000 -462.14532269 -42.16958279 607.59141116 -563.34344428 12.04238002 260.77578934 551.66264538 0.00000000 0.00000000 0.00000000 21.25878750 28.35680179 -0.57199893 -2.84005928 0.00000000 -5.86442611 0.00000000 0.00000000 370.00000000 8_1SMH2.PDB -68.40831024 -293.50000000 -171.18750000 -463.65321278 -42.07939697 610.86341880 -564.07747402 26.96577116 263.39169920 553.01308363 0.00000000 0.00000000 0.00000000 21.99166700 28.80479370 -1.41190992 -2.97830569 0.00000000 -5.74615064 0.00000000 0.00000000 370.00000000 9_1SMH2.PDB -80.64634476 -290.23750000 -166.13750000 -461.51871490 -41.70430705 606.14987675 -562.53593137 12.30101235 259.90816832 551.56587135 0.00000000 0.00000000 0.00000000 20.99014297 28.30427593 -1.47755736 -2.65391991 0.00000000 -5.29598591 0.00000000 0.00000000 370.00000000 10_1SMH2.PDB -80.47999630 -292.05000000 -166.47500000 -461.69139190 -40.82802829 605.76320061 -563.35435224 12.37542283 261.52195114 552.59326929 0.00000000 0.00000000 0.00000000 20.46240695 28.38831701 -1.33349841 -2.44743376 0.00000000 -5.01654254 0.00000000 0.00000000 370.00000000 11_1SMH2.PDB -68.28562053 -294.28750000 -170.00000000 -464.34644921 -41.99034095 609.91638851 -565.01457953 29.63149380 262.85347592 552.65060680 0.00000000 0.00000000 0.00000000 21.97751623 28.59384889 -1.08245073 -2.41001191 0.00000000 -6.18376944 0.00000000 0.00000000 370.00000000 12_1SMH2.PDB -75.56634017 -291.27500000 -163.62500000 -462.67066735 -42.23298059 607.33119001 -564.17882132 16.65957533 259.98231374 552.18271680 0.00000000 0.00000000 0.00000000 20.95577189 28.49128176 -0.52963656 -2.49660935 0.00000000 -5.66919276 0.00000000 0.00000000 370.00000000 13_1SMH2.PDB -80.76019929 -291.31250000 -167.46250000 -462.41586777 -41.35496327 607.43276359 -563.49660081 13.39330877 260.70458683 551.90731538 0.00000000 0.00000000 0.00000000 20.69837260 28.41691279 -0.62334793 -2.65017620 0.00000000 -5.58059048 0.00000000 0.00000000 370.00000000 14_1SMH2.PDB -79.68494825 -288.50000000 -164.16250000 -461.57282938 -44.16001907 605.96366301 -562.99852224 12.74688787 260.75923903 551.34690227 0.00000000 0.00000000 0.00000000 20.95932311 28.28296389 -1.36502416 -3.17298725 0.00000000 -5.52908143 0.00000000 0.00000000 370.00000000 15_1SMH2.PDB -78.45838772 -287.32500000 -165.80000000 -463.20330126 -47.23766706 608.62057350 -563.77559752 17.20290067 262.53638461 551.23038812 0.00000000 0.00000000 0.00000000 21.60138212 28.44945224 -1.37300395 -2.36079523 0.00000000 -8.57465173 0.00000000 0.00000000 370.00000000 16_1SMH2.PDB -77.89417801 -289.13750000 -167.50000000 -462.92527025 -43.87050385 610.17856599 -563.86941073 13.26711896 260.84365020 551.93346308 0.00000000 0.00000000 0.00000000 22.41369269 28.52916519 -0.57880545 -2.96313436 0.00000000 -5.68604429 0.00000000 0.00000000 370.00000000 17_1SMH2.PDB -74.20277796 -288.25000000 -162.10000000 -461.66897800 -42.55335470 604.94045139 -563.27192251 14.84057430 260.04921849 552.31944839 0.00000000 0.00000000 0.00000000 20.92482455 28.43216569 -1.45458784 -2.58677724 0.00000000 -5.39167479 0.00000000 0.00000000 370.00000000 18_1SMH2.PDB -77.89017907 -291.27500000 -163.47500000 -462.57928875 -42.69917651 607.24217093 -564.26420866 16.27183876 260.34616362 550.63374542 0.00000000 0.00000000 0.00000000 20.92561032 28.50150169 -0.84400374 -2.55041295 0.00000000 -5.62261750 0.00000000 0.00000000 370.00000000 19_1SMH2.PDB -82.07481906 -290.87500000 -167.75000000 -460.77146426 -42.22931513 604.41417847 -561.68205304 13.86693348 260.39249827 551.34829216 0.00000000 0.00000000 0.00000000 20.69805457 28.25425653 -1.44903296 -2.60522465 0.00000000 -5.43268596 0.00000000 0.00000000 370.00000000 20_1SMH2.PDB -62.94147139 -293.65000000 -172.95000000 -465.96484266 -43.87512340 614.87720067 -566.66527134 34.64539898 263.87587464 553.13871209 0.00000000 0.00000000 0.00000000 23.07090821 28.61568815 -0.80498771 -2.78072214 0.00000000 -5.85861874 0.00000000 0.00000000 370.00000000 21_1SMH2.PDB -83.98580734 -289.28750000 -168.85000000 -463.80456500 -43.54291810 608.35485394 -565.31704172 13.39063661 262.14868395 552.44568829 0.00000000 0.00000000 0.00000000 20.80370084 28.28163801 -0.83296086 -3.43589026 0.00000000 -6.05849504 0.00000000 0.00000000 370.00000000 22_1SMH2.PDB -76.91560573 -291.12500000 -169.56250000 -463.55293474 -41.18619924 609.87029549 -563.66807116 15.96249371 260.30560470 553.68790655 0.00000000 0.00000000 0.00000000 21.91669956 28.57337772 -0.80506710 -2.82915231 0.00000000 -5.92968118 0.00000000 0.00000000 370.00000000 23_1SMH2.PDB -76.24106400 -291.06250000 -166.43750000 -465.19951518 -45.21056281 611.44623148 -566.50279789 17.50942790 263.22828485 551.37404204 0.00000000 0.00000000 0.00000000 24.43601204 28.34282234 -0.67065274 -2.33530212 0.00000000 -6.81623156 0.00000000 0.00000000 370.00000000 24_1SMH2.PDB -77.28492889 -289.38750000 -162.71250000 -463.20291979 -43.28532208 608.31343038 -563.96932403 12.30529061 260.93742871 552.91933012 0.00000000 0.00000000 0.00000000 20.75347355 28.69785862 -1.31846488 -2.85554457 0.00000000 -5.78230691 0.00000000 0.00000000 370.00000000 25_1SMH2.PDB -80.09999307 -291.97500000 -169.76250000 -463.64105273 -41.56625881 609.31928946 -564.89071802 13.57714126 261.27276344 553.75250343 0.00000000 0.00000000 0.00000000 22.52154412 28.62984827 0.04517617 -2.84602390 0.00000000 -5.90685750 0.00000000 0.00000000 370.00000000 26_1SMH2.PDB -70.75643455 -295.38750000 -170.72500000 -464.43555481 -45.44479124 613.36677258 -564.42586016 26.78325689 263.04060622 552.62241308 0.00000000 0.00000000 0.00000000 25.13891416 28.91540281 -1.64602973 -3.41140833 0.00000000 -6.23225322 0.00000000 0.00000000 370.00000000 27_1SMH2.PDB -77.47815519 -290.91250000 -166.81250000 -463.32579512 -43.74295456 608.73859060 -564.34124633 13.59436749 263.68545197 553.52448407 0.00000000 0.00000000 0.00000000 21.50939699 28.50913493 -1.40195064 -2.44184035 0.00000000 -5.55165930 0.00000000 0.00000000 370.00000000 28_1SMH2.PDB -80.00521029 -289.10000000 -166.15000000 -462.22523230 -43.81887576 606.41435325 -563.27863778 12.13584733 261.17806874 552.75597572 0.00000000 0.00000000 0.00000000 21.63064225 28.47563973 -1.68169386 -2.51256618 0.00000000 -5.35309171 0.00000000 0.00000000 370.00000000 29_1SMH2.PDB -83.56914988 -291.95000000 -170.07500000 -463.37852900 -42.94447731 609.02876363 -564.55045003 12.44465291 262.98897450 551.90449610 0.00000000 0.00000000 0.00000000 22.83803828 28.46398178 -1.44193429 -2.52567965 0.00000000 -5.90800501 0.00000000 0.00000000 370.00000000 30_1SMH2.PDB -80.20531745 -294.56250000 -166.60000000 -463.36324357 -41.20121013 609.00378175 -563.71963940 13.00369350 262.08941204 553.83206027 0.00000000 0.00000000 0.00000000 20.92061441 28.32820958 -1.42569683 -2.26677944 0.00000000 -5.91581006 0.00000000 0.00000000 370.00000000