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_1IR32.PDB -45.64206814 -244.62500000 -122.33750000 -366.72454667 -22.91841280 482.85835456 -444.99104796 10.37839112 207.14498429 450.25517255 0.00000000 0.00000000 1.12405600 16.37338662 30.81757928 -1.37777986 -1.74615520 0.00000000 -2.25338651 -6.80258428 0.00000000 311.00000000 2_1IR32.PDB -44.53156781 -244.62500000 -122.67500000 -366.30745323 -22.86337711 482.72242709 -444.42875511 10.71669872 207.18272848 450.56390159 0.00000000 0.00000000 1.12405600 16.27654654 30.78409274 -1.37701611 -1.80378671 0.00000000 -2.23495368 -6.80258428 0.00000000 311.00000000 3_1IR32.PDB -46.65534971 -244.62500000 -122.33750000 -366.81129567 -23.16716833 482.78885147 -445.05116179 10.16820829 207.34470806 449.91861866 0.00000000 0.00000000 1.12405600 16.31403810 30.79678668 -1.37730973 -1.75236190 0.00000000 -2.38944860 -6.80258428 0.00000000 311.00000000 4_1IR32.PDB -46.16538666 -244.62500000 -121.96250000 -366.73062507 -22.89847664 482.77869815 -444.83287962 10.54506736 206.77412889 449.67092804 0.00000000 0.00000000 1.12405600 16.27140246 30.78634476 -1.37705533 -1.86076266 0.00000000 -2.23978398 -6.80258428 0.00000000 311.00000000 5_1IR32.PDB -46.35037150 -245.51250000 -124.62500000 -365.94204332 -22.83388480 483.45607579 -443.62487309 10.27326685 207.55681246 450.26776903 0.00000000 0.00000000 1.12405600 16.21979091 30.79102025 -1.38939433 -2.34844243 0.00000000 -2.16942028 -6.80258428 0.00000000 311.00000000 6_1IR32.PDB -44.54560280 -244.62500000 -118.82500000 -366.66677585 -23.20213415 481.45332062 -445.16008296 10.14628406 206.80157947 450.24977258 0.00000000 0.00000000 1.12405600 16.49822451 30.82944032 -1.37797902 -1.75923477 0.00000000 -2.40004901 -6.80258428 0.00000000 311.00000000 7_1IR32.PDB -44.69930430 -244.62500000 -118.82500000 -366.32202193 -22.94749910 481.20575222 -444.82166793 10.62940294 206.70091622 449.54190510 0.00000000 0.00000000 1.12405600 16.27199312 30.77163485 -1.37855748 -2.13540660 0.00000000 -2.31559258 -6.80258428 0.00000000 311.00000000 8_1IR32.PDB -44.49214436 -244.62500000 -119.16250000 -366.81204432 -22.81080684 481.39194735 -445.32755922 10.57912884 207.07009589 449.86649386 0.00000000 0.00000000 1.12405600 16.31618331 30.80761504 -1.37700154 -1.73570853 0.00000000 -2.18684488 -6.80258428 0.00000000 311.00000000 9_1IR32.PDB -45.67553597 -244.62500000 -121.96250000 -366.65915437 -23.04405855 483.25165334 -444.70377187 10.28994480 206.79710459 450.18048137 0.00000000 0.00000000 1.12405600 16.60777030 30.79765012 -1.37772598 -2.43547883 0.00000000 -2.31627248 -6.80258428 0.00000000 311.00000000 10_1IR32.PDB -46.06932946 -244.62500000 -122.33750000 -366.29119391 -23.19705124 482.73247224 -444.35285432 10.36713117 207.00069688 449.50765375 0.00000000 0.00000000 1.12405600 16.40594005 30.76377202 -1.37793130 -1.85820622 0.00000000 -2.36495827 -6.80258428 0.00000000 311.00000000 11_1IR32.PDB -46.09151306 -244.62500000 -124.33750000 -366.47438631 -22.81336818 483.00336841 -444.43464339 11.25807476 207.27446219 449.81623484 0.00000000 0.00000000 1.12405600 16.44414561 30.77017320 -1.37582216 -1.88871468 0.00000000 -2.25983588 -6.80258428 0.00000000 311.00000000 12_1IR32.PDB -46.75650626 -244.81250000 -122.48750000 -366.62666116 -23.71398627 483.35119627 -445.03055791 10.07036128 207.33093677 449.58091102 0.00000000 0.00000000 1.12405600 16.82540865 30.75489927 -1.36510288 -1.74655470 0.00000000 -2.45392904 -6.80258428 0.00000000 311.00000000 13_1IR32.PDB -43.28953379 -244.62500000 -120.60000000 -365.69948524 -22.88281425 481.44200560 -443.56445726 10.44570505 207.21025271 449.77383922 0.00000000 0.00000000 1.12405600 16.24314659 30.77730740 -1.38712497 -1.74509144 0.00000000 -2.22198153 -6.80258428 0.00000000 311.00000000 14_1IR32.PDB -45.32614797 -244.62500000 -118.82500000 -366.75247858 -23.10418884 481.33546603 -445.18829774 10.55560052 206.65084047 449.66299976 0.00000000 0.00000000 1.12405600 16.29028924 30.78526335 -1.37870192 -1.91415877 0.00000000 -2.35498986 -6.80258428 0.00000000 311.00000000 15_1IR32.PDB -45.55761303 -244.62500000 -122.33750000 -366.59459252 -23.16805465 483.30997500 -444.63834273 10.29106248 207.04401150 450.21543022 0.00000000 0.00000000 1.12405600 16.59450443 30.80049156 -1.37756605 -2.19193854 0.00000000 -2.40107390 -6.80258428 0.00000000 311.00000000 16_1IR32.PDB -46.07745395 -244.62500000 -121.96250000 -366.37566394 -22.93446096 482.57459227 -444.88576810 10.27302557 207.06668465 449.56194055 0.00000000 0.00000000 1.12405600 16.35799991 30.71866557 -1.37502087 -1.76044739 0.00000000 -2.31430737 -6.80258428 0.00000000 311.00000000 17_1IR32.PDB -45.86212829 -244.62500000 -121.96250000 -366.29188691 -23.15959539 482.68013288 -444.37129560 10.47838936 206.86016725 449.46846155 0.00000000 0.00000000 1.12405600 16.28307851 30.76355573 -1.37865175 -1.75206519 0.00000000 -2.41283471 -6.80258428 0.00000000 311.00000000 18_1IR32.PDB -44.86976572 -244.62500000 -122.33750000 -366.13513291 -23.17933756 482.88601798 -444.22562253 10.16876845 206.97692071 450.22687417 0.00000000 0.00000000 1.12405600 16.51065745 30.76577524 -1.37423120 -1.75757199 0.00000000 -2.32608000 -6.80258428 0.00000000 311.00000000 19_1IR32.PDB -46.71583774 -244.62500000 -122.33750000 -366.57664482 -23.10928145 482.42788171 -445.10400421 10.10760189 207.54731305 449.82314020 0.00000000 0.00000000 1.12405600 16.38944467 30.72037223 -1.37452188 -1.83526002 0.00000000 -2.37047861 -6.80258428 0.00000000 311.00000000 20_1IR32.PDB -45.59493453 -244.62500000 -122.67500000 -366.54179537 -22.73464859 482.80649022 -444.61772001 10.36554388 207.31183266 449.79102440 0.00000000 0.00000000 1.12405600 16.27538496 30.77706247 -1.37618292 -1.75822942 0.00000000 -2.13810607 -6.80258428 0.00000000 311.00000000 21_1IR32.PDB -46.24906853 -244.62500000 -122.33750000 -366.28495889 -23.10633656 482.86471144 -444.68932034 10.23010016 207.05889995 449.46259919 0.00000000 0.00000000 1.12405600 16.36897647 30.71778737 -1.37515319 -1.75878817 0.00000000 -2.37877032 -6.80258428 0.00000000 311.00000000 22_1IR32.PDB -46.73007313 -245.51250000 -123.86250000 -366.40637275 -23.06993304 483.06285492 -444.16488680 10.60593242 207.54869867 449.76947985 0.00000000 0.00000000 1.12405600 16.37162029 30.76289734 -1.38563961 -1.68153754 0.00000000 -2.32676127 -6.80258428 0.00000000 311.00000000 23_1IR32.PDB -45.86128247 -245.51250000 -125.33750000 -365.75778997 -22.89953879 483.49470683 -443.17052354 10.01903915 207.90810675 450.16304310 0.00000000 0.00000000 1.12405600 16.50393059 30.76224163 -1.39019283 -2.01702532 0.00000000 -2.18651015 -6.80258428 0.00000000 311.00000000 24_1IR32.PDB -44.24021900 -244.62500000 -121.96250000 -366.24036457 -22.91335085 482.75049510 -443.96169622 10.46381028 206.16197810 450.25723276 0.00000000 0.00000000 1.12405600 16.40036238 30.81491804 -1.36467695 -1.76908930 0.00000000 -1.75889146 -6.80258428 0.00000000 311.00000000 25_1IR32.PDB -46.13482144 -244.62500000 -122.67500000 -366.49256965 -22.73129406 482.41843385 -445.11290671 10.42694310 207.51048605 449.76729833 0.00000000 0.00000000 1.12405600 16.39143738 30.74706244 -1.37695460 -1.77106401 0.00000000 -2.18610283 -6.80258428 0.00000000 311.00000000 26_1IR32.PDB -45.69988641 -244.62500000 -121.96250000 -366.26873299 -22.47093350 482.47900114 -444.20609125 10.15533990 206.09121241 449.46720433 0.00000000 0.00000000 1.12405600 16.27981955 30.78785702 -1.37347443 -1.86822650 0.00000000 -1.71897680 -6.80258428 0.00000000 311.00000000 27_1IR32.PDB -46.03374586 -244.62500000 -121.96250000 -366.61303143 -22.41014932 482.25916991 -444.77641513 10.13920568 206.47625563 449.74636962 0.00000000 0.00000000 1.12405600 16.34339091 30.75304028 -1.37374649 -1.84988891 0.00000000 -1.70887806 -6.80258428 0.00000000 311.00000000 28_1IR32.PDB -46.24091398 -245.51250000 -125.00000000 -365.62971203 -23.24099598 483.17265124 -443.42516381 10.11635100 208.26218532 450.09699069 0.00000000 0.00000000 1.12405600 16.35218463 30.70938829 -1.38856328 -1.98891604 0.00000000 -2.37689744 -6.80258428 0.00000000 311.00000000 29_1IR32.PDB -46.66000651 -244.62500000 -122.67500000 -366.52134795 -22.90020141 482.50983905 -444.83602342 10.44956434 207.35170424 449.53616099 0.00000000 0.00000000 1.12405600 16.35535049 30.71300805 -1.37416016 -1.96552184 0.00000000 -2.28684257 -6.80258428 0.00000000 311.00000000 30_1IR32.PDB -44.90715282 -244.62500000 -124.11250000 -365.57473672 -22.84485272 482.82239172 -443.06529682 10.15055215 207.47775075 449.67688342 0.00000000 0.00000000 1.12405600 16.20852929 30.75980455 -1.38718495 -1.74815179 0.00000000 -2.20700886 -6.80258428 0.00000000 311.00000000