# Docking file generated by Hex 6.3 on Thu Mar 28 16:22:58 2013. # ReceptorSourceFile: 3sfdB.pdb # LigandSourceFile: 3sfdB-3sfdD_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 -538.98 -52.231039 26.902932 60.986151 1.091472 2.007594 2.787559 2 2 -1.00 -513.51 -34.531549 47.504221 109.064600 0.896950 1.720675 4.582337 3 3 -1.00 -510.52 -55.155983 39.520493 63.331334 1.008072 1.921727 2.969509 4 4 -1.00 -506.36 -43.927962 19.610993 92.529257 6.000606 1.435553 5.858331 5 6 -1.00 -494.01 64.924058 73.011631 129.888983 3.752528 1.451103 4.909393 6 8 -1.00 -482.18 -51.610982 36.586615 80.784171 0.724848 2.585823 2.413299 7 9 -1.00 -480.21 -66.276899 73.767066 51.218273 0.310574 1.129046 3.663260 8 10 -1.00 -474.41 -57.669809 55.021532 72.164997 5.553385 1.030453 6.005976 9 11 -1.00 -474.34 45.617786 91.394561 -11.032838 2.534973 1.005973 1.136412 10 12 -1.00 -473.41 -13.309422 64.733464 -23.145445 2.971619 0.686602 1.982533 11 13 -1.00 -471.94 -54.526561 49.352969 59.377468 0.529239 2.291284 2.373989 12 14 -1.00 -469.86 54.168607 84.626711 -5.190659 2.757240 1.229167 1.079931 13 15 -1.00 -463.13 -46.824659 59.577786 31.943532 1.094463 0.792432 3.472720 14 16 -1.00 -456.83 32.304506 80.109420 -17.665720 2.645575 0.980659 1.290579 15 17 -1.00 -454.36 -50.618439 22.776754 84.585101 0.007460 2.677104 1.546633 16 18 -1.00 -452.78 71.398898 10.436891 31.607528 3.265596 1.598643 2.886637 17 19 -1.00 -452.16 -19.068774 61.186058 118.258749 5.906432 1.872157 5.105161 18 20 -1.00 -450.13 87.348209 25.023518 93.782034 3.730362 1.533600 3.893568 19 21 -1.00 -449.75 30.915076 1.404808 4.107517 3.053422 0.957828 2.911018 20 22 -1.00 -449.18 -81.506029 99.410008 87.561534 0.065583 1.076630 4.399388 21 23 -1.00 -448.28 15.335174 57.877255 123.041133 4.962200 2.111864 4.584950 22 24 -1.00 -446.41 -7.783700 22.821122 108.795454 5.796301 2.461636 5.775839 23 25 -1.00 -444.75 50.671638 12.798982 111.889922 1.420229 1.681855 5.500117 24 26 -1.00 -444.02 65.365332 -0.031258 65.886947 3.201778 1.836260 3.333944 25 27 -1.00 -443.48 82.073120 72.079509 28.296776 2.804841 1.709235 1.103089 26 28 -1.00 -443.12 33.665790 125.333070 -2.617325 2.403649 0.449819 0.894065 27 29 -1.00 -442.83 53.017553 0.373613 98.962092 3.231486 2.079499 3.745187 28 30 -1.00 -442.40 -46.875008 45.099884 48.989068 0.941502 0.525683 3.832178 29 31 -1.00 -442.01 -53.356588 29.778905 67.032836 1.097178 2.076478 2.815896 30 32 -1.00 -441.16 55.222115 33.041337 124.170919 1.722022 1.859460 5.380754 31 33 -1.00 -439.68 -54.439100 35.819100 68.823463 1.060385 1.909870 3.099959 32 34 -1.00 -438.09 33.518199 -13.626242 67.750258 2.547284 2.075744 2.882319 33 35 -1.00 -437.80 14.063630 48.439671 -27.778881 2.794521 1.107394 2.086386 34 36 -1.00 -434.93 -33.350549 52.275053 111.756308 1.627637 2.491991 4.168087 35 37 -1.00 -434.62 -81.687164 26.197395 93.326497 0.730110 1.086403 4.552351 36 38 -1.00 -433.41 -28.248474 66.198593 -15.604979 2.476216 0.469272 2.214406 37 39 -1.00 -432.78 42.813566 -0.735798 12.490013 3.054968 1.140667 2.944964 38 41 -1.00 -430.30 -68.992378 115.239470 74.252419 0.107672 1.361423 3.893149 39 42 -1.00 -429.43 -53.695597 34.205897 87.794353 0.650399 0.942191 4.234195 40 43 -1.00 -425.66 32.607624 4.446546 2.127233 2.947917 1.211662 2.731637 41 44 -1.00 -423.81 8.489955 117.924072 -15.118528 1.245600 0.364044 1.962594 42 45 -1.00 -422.39 -15.408928 69.880332 117.890097 2.487944 2.661312 5.071327 43 46 -1.00 -421.80 63.172997 20.475284 12.614187 3.408280 1.229058 2.879548 44 47 -1.00 -421.17 61.024275 0.924144 43.747795 3.122404 1.400448 3.175125 45 48 -1.00 -418.60 46.630169 7.169779 115.396159 3.326148 2.133809 4.048027 46 49 -1.00 -417.69 59.587668 109.563920 45.581888 3.117931 1.486226 0.710974 47 50 -1.00 -417.58 61.841332 85.084251 -0.309634 2.721152 1.311485 1.055047 48 53 -1.00 -415.91 -51.375099 31.186133 86.169791 6.010014 1.068048 5.648867 49 55 -1.00 -415.19 17.888189 107.443616 38.429884 5.384758 1.058752 3.513032 50 56 -1.00 -415.11 -82.862217 81.759873 97.526728 0.222430 1.230702 4.404570 51 57 -1.00 -413.54 47.719876 -10.420997 47.161517 2.831937 1.657034 2.991007 52 58 -1.00 -413.35 -54.928029 42.744249 58.800961 1.042179 1.665082 3.046392 53 59 -1.00 -411.79 -48.387861 26.053576 -7.474075 2.105872 0.576062 2.863483 54 61 -1.00 -411.27 -51.652816 58.665615 89.424425 5.340726 1.400742 6.005108 55 62 -1.00 -411.06 35.430406 76.639197 -14.305108 2.834722 1.068935 1.486009 56 63 -1.00 -410.58 88.739676 39.386260 104.185838 3.873681 1.543128 3.990537 57 64 -1.00 -410.53 67.440197 20.577945 114.681834 3.513963 1.737934 4.233433 58 65 -1.00 -409.93 -82.035938 69.928960 101.046317 0.391675 1.272022 4.418883 59 66 -1.00 -409.88 -10.957589 63.495873 120.550672 0.020003 1.946708 4.861276 60 67 -1.00 -409.47 56.013290 2.543399 18.760468 3.089460 1.440595 2.813613 61 69 -1.00 -408.42 -52.153633 45.277891 -10.299011 2.241515 0.402975 2.700569 62 70 -1.00 -407.54 -82.183277 61.923804 92.961037 0.004416 1.088977 5.151307 63 71 -1.00 -406.78 -93.667600 63.006520 55.877919 0.809309 1.090563 3.775136 64 72 -1.00 -405.95 16.376579 105.592658 80.412159 5.154215 1.408192 3.932203 65 73 -1.00 -405.87 81.538851 22.305483 95.843906 3.701841 1.829682 3.696717 66 74 -1.00 -405.64 7.120774 -22.386323 49.026959 2.242048 1.913010 3.046537 67 75 -1.00 -405.63 -49.823342 33.936124 91.783774 6.106670 1.099319 5.523020 68 76 -1.00 -405.46 -50.204833 22.841894 73.206933 0.935377 2.408912 2.552753 69 77 -1.00 -405.29 -48.862429 28.282616 92.605820 5.884638 1.354076 5.785511 70 80 -1.00 -403.63 -48.629854 20.298725 66.796350 5.909892 1.048698 6.143233 71 81 -1.00 -403.13 -8.633613 65.962806 120.566415 0.189729 2.051522 4.760875 72 85 -1.00 -400.77 -84.356379 61.296490 19.589091 0.988445 0.485330 3.710589 73 86 -1.00 -399.85 6.238484 68.592667 -24.728678 2.647027 0.798949 1.670975 74 88 -1.00 -399.62 38.132898 0.941930 3.841564 2.952381 1.293785 2.718392 75 89 -1.00 -399.55 -43.455468 13.905881 64.695589 5.922393 1.468616 0.072061 76 90 -1.00 -399.38 -40.454268 16.199256 101.946870 0.521770 2.927454 1.893593 77 91 -1.00 -398.99 -44.815975 26.554042 96.140830 5.885828 2.821981 1.028784 78 92 -1.00 -398.97 66.159010 72.829961 20.192603 3.016182 1.543977 1.225099 79 94 -1.00 -398.47 -39.206460 35.197535 102.495916 1.557830 2.187286 4.006442 80 95 -1.00 -398.40 13.458065 -6.044480 98.953405 2.543396 2.273985 3.389679 81 97 -1.00 -397.68 -47.154909 15.564508 73.715161 1.123369 2.471779 2.830648 82 98 -1.00 -397.33 73.361274 14.843033 99.727431 3.519878 1.754592 3.894416 83 99 -1.00 -397.31 55.869035 4.469391 108.012945 3.596139 2.481961 3.834389 84 101 -1.00 -396.48 63.652811 34.251549 120.208911 1.894362 1.787720 5.422273 85 102 -1.00 -396.19 -12.529938 64.784640 120.669719 6.118420 1.894803 5.010233 86 103 -1.00 -395.76 -46.579962 29.098341 95.542495 6.108101 1.210806 5.558245 87 104 -1.00 -395.71 50.024276 12.306564 6.962122 3.151934 1.343285 2.713969 88 106 -1.00 -395.48 -52.747475 41.838872 83.769915 5.652716 1.285220 6.035592 89 109 -1.00 -394.39 -5.892135 52.218116 121.026827 6.034577 2.035499 5.199837 90 110 -1.00 -393.90 33.961087 9.622900 3.034300 2.981563 1.090134 2.746840 91 111 -1.00 -393.40 65.632057 14.898803 17.920766 3.135512 1.661869 2.629491 92 112 -1.00 -392.98 -4.479886 50.184259 123.282193 5.762375 2.057895 5.071122 93 113 -1.00 -392.13 -16.181540 2.997411 44.202876 1.655526 1.936037 2.682943 94 114 -1.00 -392.11 -84.695773 27.218483 59.093667 5.808079 1.342589 0.210121 95 115 -1.00 -391.87 -67.107045 57.117089 125.320481 5.861841 1.616751 5.576821 96 116 -1.00 -391.57 81.295333 23.249396 28.861455 3.549713 1.464919 3.002550 97 118 -1.00 -391.34 -40.750514 137.963522 53.051885 6.020096 1.606379 3.395679 98 119 -1.00 -390.96 -52.914791 34.857070 58.117546 1.132559 1.781212 2.928374 99 120 -1.00 -390.86 18.479329 -8.432814 85.635286 2.376235 2.351619 2.943930 100 122 -1.00 -390.40 -10.825515 8.788703 76.298210 1.888229 1.337539 3.951468 101 123 -1.00 -390.21 31.580186 -7.886354 103.705155 1.182039 1.354530 5.410404 102 124 -1.00 -389.83 -64.622669 9.489397 9.094680 1.127567 1.776390 2.418826 103 125 -1.00 -389.62 36.672420 -9.946103 85.605706 2.759092 2.195738 3.187702 104 127 -1.00 -388.75 -51.115324 32.260091 92.802650 0.531458 0.987132 4.430537 105 128 -1.00 -388.53 -45.050819 41.181429 97.967333 1.048285 1.612461 4.401770 106 129 -1.00 -388.35 56.067294 4.157386 22.515934 3.128675 1.413083 2.910560 107 130 -1.00 -388.01 4.349313 18.927519 143.381663 1.045216 1.668819 4.923296 108 131 -1.00 -387.53 -86.475053 65.389635 83.277638 0.052530 0.985620 4.883179 109 132 -1.00 -386.95 -56.046107 45.616672 73.499530 5.637074 1.107883 5.966453 110 133 -1.00 -386.84 -69.745083 38.951382 5.210440 0.758231 1.669179 2.415952 111 134 -1.00 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