# Docking file generated by Hex 6.3 on Thu Mar 28 16:22:44 2013. # ReceptorSourceFile: 3sfdB.pdb # LigandSourceFile: 3sfdB-3sfdC_initial_docking.pdb # ComplexSourceFile: None # # Apply Euler rotation (alpha,beta,gamma) to ligand, then translate by (x y z) # # Format: Cluster Solution RMS Etotal x y z alpha beta gamma # # ----------------------------------------------------------- # 1 1 -1.00 -689.78 -0.853718 160.916237 -5.229516 5.641334 1.420007 2.360072 2 2 -1.00 -593.53 -2.029854 155.216721 -12.861213 5.562677 1.483725 2.205910 3 3 -1.00 -573.37 20.457775 111.873883 175.370062 5.506138 2.456286 3.835038 4 4 -1.00 -567.72 9.581148 108.602024 178.283744 5.544488 2.360790 4.011529 5 5 -1.00 -545.50 -0.706221 164.553150 -0.204011 5.542284 1.540663 2.275499 6 6 -1.00 -516.75 47.842472 1.060509 178.757412 1.601940 1.846183 4.968403 7 7 -1.00 -490.38 104.389643 41.608607 126.288418 1.785265 2.338256 0.053150 8 8 -1.00 -475.83 15.253817 111.395778 -41.991527 5.518861 1.106497 1.946381 9 9 -1.00 -464.57 29.044274 145.961202 -22.121581 5.306414 1.286241 2.163408 10 10 -1.00 -463.58 -2.260796 166.075756 2.439305 5.464685 1.657296 2.184030 11 12 -1.00 -459.69 37.515877 73.689460 194.674403 1.296037 2.483688 5.231294 12 14 -1.00 -455.73 2.286409 -6.815682 -56.934045 1.858106 1.299843 1.915353 13 15 -1.00 -447.97 83.895524 -2.279388 158.564902 1.707160 1.791263 5.295107 14 16 -1.00 -443.73 -16.698338 95.965978 -53.430647 5.577116 1.255169 1.580710 15 17 -1.00 -441.29 22.425498 149.927944 -18.124461 5.469905 1.252354 2.254710 16 18 -1.00 -434.51 26.768818 68.057692 188.178236 5.830489 2.660502 4.315007 17 19 -1.00 -433.72 19.649888 -49.632959 42.033867 2.368233 1.542667 2.648524 18 20 -1.00 -433.44 -27.069993 -50.125589 105.542742 0.810454 2.383298 0.571434 19 21 -1.00 -430.71 -106.081920 105.012731 107.089100 0.272633 2.228039 2.588391 20 22 -1.00 -426.45 49.810922 174.880270 107.178407 3.515602 1.959592 0.183115 21 23 -1.00 -423.74 -38.134901 45.071560 -37.870349 0.411758 1.300980 1.667379 22 24 -1.00 -423.71 -99.424489 99.766125 132.273041 0.314626 2.553009 2.511791 23 25 -1.00 -423.27 9.563779 74.731618 188.290841 5.717673 2.496241 4.333998 24 26 -1.00 -422.59 -29.147761 116.922429 -23.369839 0.016049 1.129431 2.176526 25 27 -1.00 -416.10 57.187086 174.898834 95.744229 3.487948 1.803854 0.155025 26 28 -1.00 -415.51 -20.785042 51.911236 -56.526370 0.851155 1.134825 1.828200 27 29 -1.00 -413.08 120.910275 29.243386 10.983808 1.959508 1.006729 6.108758 28 30 -1.00 -412.32 -5.594542 190.649026 84.123605 4.522172 0.826290 5.220563 29 31 -1.00 -411.16 -23.552819 175.595312 32.629565 5.702987 1.839309 2.403785 30 32 -1.00 -409.27 87.488046 1.546742 83.871188 1.630902 1.963141 0.232172 31 33 -1.00 -409.12 -86.860572 131.091111 42.653498 5.993687 1.853809 2.194277 32 34 -1.00 -408.70 -14.431308 -39.379219 -13.824220 1.171705 0.214349 4.820411 33 35 -1.00 -408.64 66.875271 30.392970 182.340698 1.641359 2.107146 5.177287 34 36 -1.00 -403.98 -78.155004 -23.283947 140.793729 1.941401 2.594833 2.877400 35 37 -1.00 -400.36 -30.224494 -50.939448 40.789066 0.870000 2.082880 1.178145 36 39 -1.00 -398.71 129.708562 21.957518 86.460175 2.034338 1.433493 6.181956 37 40 -1.00 -395.65 -109.479042 115.991412 75.069849 0.025580 2.105940 2.269319 38 42 -1.00 -394.82 29.434194 165.661186 11.916304 5.392541 1.350862 2.503791 39 43 -1.00 -392.58 43.682378 149.271818 -11.741800 5.305625 1.196654 2.391331 40 44 -1.00 -392.52 4.283708 174.353965 29.428391 5.659225 1.328195 2.719093 41 45 -1.00 -390.76 18.696186 -1.053421 185.029486 1.296260 1.858291 4.850616 42 47 -1.00 -388.74 70.786291 101.429122 170.256849 2.424841 2.288423 5.795529 43 48 -1.00 -388.67 13.735048 101.194090 -57.391339 0.460628 0.775751 1.945959 44 49 -1.00 -388.00 62.543784 25.848223 159.624497 1.050362 2.471953 5.852332 45 50 -1.00 -386.26 17.191816 -23.985824 -6.072705 2.391174 1.226433 2.360994 46 51 -1.00 -385.84 109.937022 34.210019 145.831764 2.176098 1.667344 5.266358 47 52 -1.00 -384.85 -58.136651 21.149627 -10.683178 1.271796 1.222157 2.336690 48 53 -1.00 -382.49 -39.018248 112.978703 -30.060721 5.889998 1.457059 1.872044 49 54 -1.00 -382.37 -23.785917 -1.949481 187.456220 4.679756 2.752599 4.716355 50 55 -1.00 -380.97 91.145526 -23.357554 4.838935 1.446579 1.239172 0.088814 51 56 -1.00 -380.65 -77.991731 53.013881 -2.613162 0.143865 1.697402 1.618205 52 58 -1.00 -379.10 118.674641 67.601538 114.415205 2.380800 1.789629 6.178381 53 59 -1.00 -377.72 102.822074 49.985701 155.953458 3.693203 1.557780 3.949058 54 60 -1.00 -376.76 -31.630867 84.584827 -50.454330 5.571602 1.284452 1.388157 55 61 -1.00 -374.52 80.694452 40.371617 157.096378 1.295949 2.536866 5.940887 56 62 -1.00 -374.08 -64.459654 68.708603 153.939469 1.306527 2.695246 3.337762 57 64 -1.00 -373.91 35.781695 152.582207 9.791548 5.617567 0.251718 3.265790 58 65 -1.00 -373.51 -53.171308 111.731735 160.208277 0.942666 2.975765 3.204736 59 66 -1.00 -373.23 -132.201843 31.190202 73.837455 5.790795 2.024465 0.153263 60 67 -1.00 -373.13 -86.499106 -16.145236 34.725095 1.498359 1.812984 2.759911 61 68 -1.00 -373.09 32.934763 161.125077 20.453343 5.434274 0.470029 3.320347 62 69 -1.00 -373.06 -13.906274 92.250518 -48.648110 5.621981 1.212310 1.605971 63 70 -1.00 -372.88 72.057577 56.855019 -24.657328 4.756470 0.261927 2.396257 64 71 -1.00 -372.25 -23.443183 105.685478 -40.034599 5.796121 1.313130 1.781702 65 72 -1.00 -370.96 -10.419312 -55.156902 22.378118 0.608952 1.632279 0.312205 66 73 -1.00 -370.19 -98.756858 119.850124 111.896105 0.046373 2.392436 2.388484 67 74 -1.00 -368.58 -38.963546 -12.488023 178.214560 2.759130 2.689206 3.512268 68 76 -1.00 -365.56 43.930257 58.419266 -39.727770 5.685995 0.365181 1.539558 69 77 -1.00 -363.25 -91.579162 -38.345189 82.892626 1.623717 1.442508 3.188417 70 78 -1.00 -361.99 -31.256831 162.179934 128.163051 6.068432 2.387581 2.904605 71 79 -1.00 -361.85 82.209636 86.519391 168.098236 2.395813 2.108466 5.754505 72 80 -1.00 -361.81 -26.263060 99.219728 -41.492019 5.953951 1.278416 1.818043 73 81 -1.00 -361.76 -91.922037 142.821059 48.540671 6.001484 1.929519 2.147298 74 82 -1.00 -361.61 13.806457 -58.456966 2.176488 1.606202 1.876414 1.685981 75 83 -1.00 -361.21 119.676571 72.260726 22.950264 2.285925 1.648325 0.595308 76 84 -1.00 -360.65 -83.233933 -47.809362 87.558202 0.663269 0.960758 5.216914 77 85 -1.00 -360.49 107.472173 39.029547 20.307783 2.098807 1.738961 0.756790 78 86 -1.00 -360.43 -73.121041 24.690858 -34.852267 0.479083 1.414531 1.309357 79 87 -1.00 -359.85 -15.785899 126.942052 -34.239522 5.579555 1.411483 1.867749 80 88 -1.00 -359.54 -105.015340 117.485375 56.953151 6.162847 1.981401 2.217354 81 89 -1.00 -359.25 -66.106788 29.418765 -8.422563 0.163186 1.611325 1.321068 82 90 -1.00 -358.91 125.830219 42.439705 65.269658 1.923356 1.465662 6.259899 83 91 -1.00 -358.64 3.245886 -14.293470 178.997484 1.219503 1.719264 4.785795 84 92 -1.00 -358.45 44.569605 178.874326 62.192275 3.616426 1.291237 6.280623 85 93 -1.00 -358.06 32.290949 158.412354 25.750075 4.475786 0.244168 4.589218 86 94 -1.00 -357.87 -43.337735 4.954243 -37.553331 1.391369 1.373697 2.146373 87 95 -1.00 -357.61 -72.737441 142.808563 68.507843 0.018565 1.199959 3.506143 88 96 -1.00 -357.54 99.088010 89.109164 129.779558 4.095360 2.531512 2.669397 89 97 -1.00 -356.75 128.183391 26.217061 40.556806 1.945938 1.473683 6.241794 90 98 -1.00 -356.51 32.455555 160.785413 0.701982 5.492594 1.186668 2.537084 91 99 -1.00 -355.75 33.540125 166.589704 15.760452 3.278710 0.325508 6.007163 92 101 -1.00 -355.19 95.946672 113.919732 12.378398 2.558392 0.812778 0.277182 93 102 -1.00 -354.70 -102.696990 112.568557 96.509722 0.027448 2.289716 2.255733 94 103 -1.00 -354.45 -104.156458 113.512948 125.585213 0.107791 1.133779 4.094777 95 104 -1.00 -354.28 104.628507 17.513637 91.856733 1.725650 1.880355 0.075995 96 105 -1.00 -353.89 107.775378 -6.359598 122.166793 1.799075 1.564060 5.917377 97 106 -1.00 -353.87 -40.746546 113.132354 -18.972820 5.941571 1.407340 1.836676 98 107 -1.00 -353.54 -51.311426 8.055084 182.959623 2.831516 2.759336 3.739003 99 108 -1.00 -352.27 64.687937 106.760530 170.892357 1.070448 2.710300 4.972625 100 109 -1.00 -352.08 9.497509 58.531478 186.250545 2.487542 2.397443 4.514467 101 110 -1.00 -352.06 -100.892499 122.834592 55.900517 6.209755 1.888533 2.372877 102 111 -1.00 -352.01 -49.705677 158.348540 150.088029 4.463883 1.793709 5.811698 103 112 -1.00 -351.92 -14.911333 177.578883 8.970523 5.608536 0.862884 3.101910 104 113 -1.00 -351.69 67.648300 70.304587 -30.807720 5.399148 0.261346 1.984119 105 114 -1.00 -351.51 -65.981135 82.203081 -23.000503 0.398143 1.411253 2.199933 106 115 -1.00 -351.31 -107.201054 108.654412 76.613380 6.275582 2.155864 2.105438 107 116 -1.00 -350.87 -0.210262 147.119954 -18.011905 5.671066 1.288690 2.214067 108 117 -1.00 -350.31 18.726438 128.923789 -25.902447 2.115713 0.263135 1.179970 109 118 -1.00 -350.15 -13.094673 151.888340 -16.372406 5.475952 1.583767 1.940273 110 119 -1.00 -350.11 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4.416501 135 144 -1.00 -342.04 85.983937 1.162482 90.498038 1.687102 2.195258 0.441875 136 145 -1.00 -341.65 96.692014 35.757899 10.882349 3.113217 0.300449 4.052780 137 146 -1.00 -341.14 119.928178 23.870899 119.035603 3.570400 2.062508 3.448614 138 147 -1.00 -340.98 -52.762905 37.083752 189.343435 0.718302 1.751616 4.376328 139 148 -1.00 -340.85 -69.243154 37.615240 175.473131 0.755070 1.656345 4.214985 140 149 -1.00 -340.69 -18.076977 -43.351026 9.738094 1.062002 1.870915 1.371777 141 150 -1.00 -340.55 36.663909 188.439186 76.852919 3.824246 1.039257 5.816998 142 151 -1.00 -340.51 41.781255 163.121327 20.553131 3.179763 0.700762 0.032147 143 152 -1.00 -340.42 98.689485 -4.508751 137.512736 1.598936 1.779014 5.578140 144 153 -1.00 -340.27 11.537477 35.284201 196.108505 0.782410 2.359478 5.296500 145 154 -1.00 -340.11 -32.051591 -31.067893 152.783883 0.868278 1.420557 4.878760 146 155 -1.00 -339.85 -114.657951 23.274795 143.503104 0.797652 1.514869 4.247433 147 156 -1.00 -339.84 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139.039892 5.415553 1.206059 4.861321 160 170 -1.00 -334.30 42.152623 174.076942 47.715866 3.456398 0.813664 5.810536 161 171 -1.00 -333.74 -68.411902 78.004904 -36.131064 0.388793 1.003669 2.159187 162 172 -1.00 -333.60 -80.254207 74.485693 138.186477 0.905878 2.407091 3.170457 163 173 -1.00 -333.52 -8.210639 109.914812 -26.777720 1.080365 0.496852 2.035108 164 174 -1.00 -333.41 35.409295 138.100740 -23.223240 5.294552 1.203012 2.198451 165 175 -1.00 -333.27 -64.030126 27.179546 -40.132192 1.245895 1.229877 2.334152 166 176 -1.00 -333.12 21.984681 183.181014 46.524572 3.972350 0.723768 5.740854 167 178 -1.00 -332.92 46.948318 22.636600 190.905520 3.718276 2.169139 3.977255 168 180 -1.00 -330.86 -10.584510 127.630815 -32.724652 5.789087 1.283162 2.057042 169 181 -1.00 -330.81 -64.416547 -44.036619 129.955694 0.680531 1.290153 5.280548 170 182 -1.00 -330.67 81.394834 155.077926 84.845794 3.096816 1.743922 0.145239 171 183 -1.00 -330.50 -15.208934 134.959108 170.449064 0.248444 2.534873 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