# Docking file generated by Hex 6.3 on Thu Mar 28 16:23:12 2013. # ReceptorSourceFile: 3sfdD.pdb # LigandSourceFile: 3sfdD-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 -610.97 259.135580 -159.489893 5.717940 3.217337 1.050033 4.454522 2 2 -1.00 -599.84 268.567887 -151.815733 2.594904 3.231495 1.190347 4.357715 3 4 -1.00 -569.26 241.870934 -115.292504 -49.989197 3.304374 1.102160 3.967155 4 5 -1.00 -552.91 101.225249 -119.933889 -27.147538 1.404060 1.706689 3.381468 5 6 -1.00 -541.69 215.601666 -126.025383 -54.456827 3.192505 1.005677 3.953833 6 7 -1.00 -541.30 173.284446 87.392298 292.715310 2.724643 2.336819 0.392646 7 8 -1.00 -529.51 75.958857 -75.420604 -36.849162 1.520745 1.532615 3.668107 8 9 -1.00 -526.35 212.276317 -195.162746 68.253553 2.759601 1.695381 4.467175 9 11 -1.00 -503.10 137.793496 -183.278021 59.410065 1.961271 2.135401 3.752505 10 12 -1.00 -501.96 88.247119 -167.271962 109.086710 2.134932 1.672169 4.594674 11 13 -1.00 -501.91 221.242126 -59.005618 -87.168135 1.152696 1.123624 2.715018 12 14 -1.00 -499.16 143.238948 166.877207 217.395201 1.080422 2.997511 5.669964 13 15 -1.00 -494.60 13.270181 133.864150 158.668450 4.606975 1.566589 1.371926 14 16 -1.00 -493.72 176.070142 53.485420 305.080526 2.329529 2.292615 0.137004 15 17 -1.00 -491.89 186.344047 -40.617358 -96.720719 0.783720 1.054122 2.919954 16 18 -1.00 -488.19 174.947360 142.840778 244.719350 1.672243 2.853811 0.104012 17 19 -1.00 -487.46 97.981392 -145.413797 13.825318 1.882835 1.768618 3.858830 18 20 -1.00 -487.38 107.906213 119.172814 260.837655 3.578678 2.365224 0.749101 19 21 -1.00 -485.52 -17.908225 70.323764 83.994738 5.094828 0.743498 1.021374 20 22 -1.00 -482.80 161.616012 76.248646 297.030790 2.431266 2.407713 0.203081 21 23 -1.00 -478.23 258.855032 40.065982 -55.848487 5.305116 0.846322 3.685723 22 25 -1.00 -474.88 60.952795 -111.190736 2.750055 1.462597 1.842536 3.711909 23 26 -1.00 -472.49 243.556668 -185.125291 83.276392 2.953437 1.616342 4.616849 24 28 -1.00 -470.66 193.195130 -13.580507 -100.152980 0.874606 0.960392 3.001738 25 29 -1.00 -468.35 255.206658 -119.964627 -40.706989 3.222061 1.239556 3.979165 26 30 -1.00 -468.02 41.528153 -83.507368 -2.770272 0.583519 1.930235 3.063359 27 31 -1.00 -467.57 -3.426981 -59.161339 151.977846 5.669523 1.381379 1.169492 28 32 -1.00 -467.30 221.737318 62.124133 291.567073 2.947734 1.975641 0.334255 29 33 -1.00 -466.78 270.138853 -53.328530 279.662464 1.996119 1.690122 0.326531 30 34 -1.00 -466.51 153.857885 176.990684 202.695494 2.783153 3.073009 1.078622 31 37 -1.00 -463.69 85.833249 -157.696449 40.236893 1.646905 2.003940 3.741992 32 38 -1.00 -463.50 156.122908 -181.581181 42.961607 1.957771 2.115890 3.601820 33 39 -1.00 -460.68 83.268095 -81.429685 -37.888641 1.424379 1.597860 3.553948 34 40 -1.00 -459.45 67.341191 -111.470153 6.052047 1.642900 1.673581 3.892156 35 41 -1.00 -458.27 157.991941 99.791802 286.706912 3.230071 2.211927 0.469489 36 42 -1.00 -457.72 217.271187 -192.877303 59.390932 2.740635 1.804645 4.338621 37 43 -1.00 -457.42 308.719980 10.652938 252.906939 2.240576 1.802553 0.706004 38 45 -1.00 -454.38 321.253387 105.720626 221.434881 2.639950 2.000487 1.263999 39 46 -1.00 -452.92 102.935219 -66.493259 -54.898156 1.597359 1.440632 3.526725 40 47 -1.00 -452.37 126.867907 -169.067916 31.724336 1.801933 2.004532 3.633333 41 48 -1.00 -451.98 258.870474 152.620859 225.257615 3.096203 1.960465 1.049635 42 49 -1.00 -451.30 148.693772 -30.713266 -89.510909 2.165383 1.119055 3.474132 43 50 -1.00 -450.27 144.007576 -190.785830 86.436215 2.129398 2.184535 3.945720 44 51 -1.00 -450.21 132.434778 160.852786 254.736514 3.981553 1.798477 0.849355 45 52 -1.00 -450.12 244.600361 -167.051336 4.001006 3.203699 0.865574 4.537237 46 53 -1.00 -449.72 186.622993 12.722168 310.202331 2.324499 2.097691 0.016425 47 54 -1.00 -449.53 92.999146 -154.414659 33.496983 1.953161 1.764986 4.016552 48 55 -1.00 -449.15 250.357561 11.610902 294.692952 2.180954 1.965774 0.351482 49 56 -1.00 -448.09 307.343172 15.397210 264.492160 2.591336 1.573736 0.380824 50 57 -1.00 -447.43 361.633511 -14.268652 21.075693 1.887425 0.688063 1.501507 51 59 -1.00 -445.84 120.257084 -156.591634 13.036521 1.726746 1.971377 3.537598 52 60 -1.00 -445.40 71.618445 -45.979133 272.281155 5.566166 1.887029 0.579545 53 61 -1.00 -443.48 325.662359 80.789649 234.256962 2.560499 1.890435 1.109691 54 62 -1.00 -442.91 118.188365 195.224638 186.404163 4.072780 1.519796 1.150338 55 63 -1.00 -442.83 22.123033 49.656667 236.333757 5.762451 1.254949 0.102185 56 64 -1.00 -442.75 128.940119 -180.479525 61.011721 2.165443 1.920311 4.065760 57 65 -1.00 -438.92 72.281994 -129.185702 24.477341 1.816462 1.672004 4.051294 58 66 -1.00 -437.75 132.332476 45.650919 301.510657 2.222003 2.381766 6.148774 59 67 -1.00 -437.43 207.469255 11.672923 -100.460832 0.943661 0.843073 3.007995 60 68 -1.00 -437.39 87.587324 -155.129566 25.554259 1.389772 2.015128 3.451414 61 69 -1.00 -436.76 312.628575 -27.543070 -46.836795 1.415249 0.756913 2.132887 62 72 -1.00 -431.93 -27.106446 37.290194 125.736422 5.391180 0.923823 0.864818 63 73 -1.00 -431.75 303.898616 77.649115 240.175985 2.887714 1.574231 0.589930 64 75 -1.00 -431.12 194.561669 113.148510 -66.186965 0.008515 0.790117 3.862404 65 76 -1.00 -430.99 -29.706339 23.871760 91.368593 5.367991 0.792182 1.001797 66 77 -1.00 -428.82 117.726622 62.111226 -59.274759 6.123192 1.386364 3.412975 67 78 -1.00 -427.68 196.183698 38.030162 301.582390 2.873811 2.066869 0.159457 68 79 -1.00 -427.41 148.297045 105.724329 283.000361 3.597442 2.089684 0.509021 69 80 -1.00 -426.37 144.648569 -181.783837 56.119675 2.123783 2.027679 3.902203 70 81 -1.00 -426.14 361.900591 -71.691732 89.160515 1.865640 0.948639 1.168040 71 82 -1.00 -426.10 360.425018 -57.394658 44.456591 1.778713 0.825317 1.405901 72 83 -1.00 -425.77 22.579855 -51.727194 216.510074 5.716076 1.573050 0.868439 73 84 -1.00 -425.40 -16.860885 -63.259145 178.021095 6.273689 2.831952 2.658007 74 85 -1.00 -424.35 249.380976 -179.166694 31.972796 3.061912 1.076046 4.624815 75 86 -1.00 -423.51 -28.747324 31.004546 108.010526 5.283622 0.989086 1.095079 76 87 -1.00 -423.14 122.486562 178.671347 4.389733 3.778731 0.853497 1.709640 77 88 -1.00 -423.11 202.236964 -49.688037 -94.336560 0.956590 1.078829 2.825221 78 89 -1.00 -421.30 109.480184 176.714832 218.605201 4.640975 3.067865 2.623115 79 91 -1.00 -420.07 39.657933 -113.551192 41.043709 1.535130 1.899181 3.981612 80 92 -1.00 -419.88 -21.332567 57.114180 96.427012 5.168590 0.870911 1.055638 81 93 -1.00 -419.65 360.751464 -70.064352 72.984236 1.900479 0.769115 1.091692 82 94 -1.00 -419.38 181.524845 -3.409823 -101.861903 0.666219 0.949730 3.095472 83 95 -1.00 -419.15 258.474530 5.797017 -62.738743 5.108357 0.808051 3.571291 84 96 -1.00 -419.05 115.477201 -166.160391 35.285481 1.969589 1.920451 3.873197 85 97 -1.00 -418.69 126.882874 -180.757003 61.084604 1.844812 2.164124 3.699360 86 98 -1.00 -418.11 68.059842 6.064093 272.369757 2.171341 2.544297 5.669334 87 99 -1.00 -417.95 29.604879 -118.314567 78.208082 0.897631 2.384346 3.307578 88 100 -1.00 -416.31 157.835315 162.771690 256.899573 3.784037 1.872888 0.910723 89 102 -1.00 -415.97 346.892160 -50.932634 9.310077 1.626174 0.748300 1.636231 90 103 -1.00 -414.98 116.856396 110.098882 271.934379 3.555702 2.312694 0.644536 91 104 -1.00 -414.37 22.519159 -102.150096 140.052352 1.487850 2.331381 4.287668 92 105 -1.00 -413.76 104.251852 115.707532 283.646299 3.822318 2.236167 0.781043 93 107 -1.00 -413.58 48.128001 -136.558307 58.767053 1.561358 1.952984 3.976516 94 108 -1.00 -413.54 138.283065 208.352716 117.456146 4.155279 0.876950 1.014203 95 109 -1.00 -411.79 111.863885 -137.104780 -7.114081 1.784889 1.784597 3.623976 96 110 -1.00 -410.87 25.245734 119.783393 42.021651 4.521006 0.775899 1.433598 97 111 -1.00 -410.50 16.341921 120.749394 68.357875 4.774734 0.633811 1.020347 98 113 -1.00 -410.28 270.868989 -136.973655 -15.391134 3.224518 1.298049 4.144545 99 114 -1.00 -409.76 312.564503 39.797243 245.827951 2.384369 1.818066 0.780452 100 115 -1.00 -406.71 122.035519 198.162434 162.472676 3.913440 1.950274 1.599659 101 116 -1.00 -405.31 129.601352 215.592484 64.911471 3.884629 1.301328 1.696894 102 117 -1.00 -405.31 95.888125 191.950874 163.748350 4.073746 1.847780 1.524767 103 118 -1.00 -404.96 339.007622 113.356932 172.732785 3.163281 1.051151 0.510729 104 121 -1.00 -404.30 89.337480 -146.916447 21.798292 1.990342 1.623978 4.041807 105 122 -1.00 -404.22 283.760030 -10.309468 277.434574 2.146853 1.810990 0.481784 106 123 -1.00 -404.17 25.785328 -56.033920 2.078566 1.348621 1.586162 3.953675 107 125 -1.00 -403.45 365.199499 42.565001 181.034949 2.395693 1.611083 1.283981 108 126 -1.00 -402.98 144.246548 -176.279171 37.862692 1.784201 2.102898 3.499912 109 127 -1.00 -402.96 52.439619 -138.840733 46.822433 1.473723 1.982342 3.821639 110 128 -1.00 -402.33 110.995518 -59.193668 -60.012498 0.908641 1.470085 3.125297 111 129 -1.00 -402.31 -0.025054 94.273169 72.208328 4.897539 0.765231 1.147794 112 130 -1.00 -401.81 47.739465 -105.256544 202.895757 1.981069 2.177055 4.937127 113 131 -1.00 -401.52 95.205267 -159.196702 18.076958 1.304037 2.027012 3.278184 114 132 -1.00 -401.18 -21.478462 58.827058 146.595425 5.385435 0.961715 0.693895 115 134 -1.00 -399.34 23.909224 123.871216 52.888702 4.636984 0.610691 1.168719 116 135 -1.00 -398.74 71.511537 186.030441 78.298424 4.228961 1.473162 1.605755 117 136 -1.00 -398.29 69.163071 -43.469896 -44.160078 1.473454 1.360101 3.713239 118 137 -1.00 -398.14 242.256501 -78.175209 -72.954748 1.080346 1.090797 2.537014 119 138 -1.00 -397.91 132.921332 67.888029 294.828717 3.083531 2.369202 0.271006 120 139 -1.00 -397.88 173.958962 203.925191 196.841699 3.848432 1.434851 1.003412 121 140 -1.00 -397.85 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215.496214 3.167743 2.885192 1.088241 134 155 -1.00 -394.51 286.442136 -122.764226 -17.744485 3.150308 1.538384 3.967553 135 156 -1.00 -394.47 117.598646 -163.234247 11.273900 1.577664 1.955939 3.415122 136 157 -1.00 -394.06 -15.258786 74.325490 138.214726 5.266110 0.909947 0.729835 137 158 -1.00 -393.15 32.764604 42.412555 249.568268 5.725248 1.354368 0.155156 138 159 -1.00 -393.04 166.908092 168.652934 214.114662 2.996489 2.853441 1.199570 139 160 -1.00 -392.72 214.935704 13.452382 303.761793 2.166086 2.064143 0.180344 140 162 -1.00 -392.44 63.126457 -124.255076 10.478341 1.419596 1.832855 3.672974 141 163 -1.00 -392.19 166.381287 70.636266 297.186904 2.413377 2.386060 0.189753 142 164 -1.00 -392.18 -26.737170 17.784109 150.118215 5.654556 0.938704 0.621092 143 165 -1.00 -391.83 176.633122 -64.789856 292.038133 1.880327 1.771773 6.105827 144 166 -1.00 -391.77 92.323170 131.013093 -1.733264 5.706642 1.864597 3.482643 145 167 -1.00 -391.34 50.275602 -125.449130 40.455382 1.691498 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-273.60 14.287035 97.090379 134.178999 4.935591 2.463558 2.093394 1424 1517 -1.00 -273.52 179.137348 23.288339 288.177295 0.139314 2.192962 6.194083 1425 1518 -1.00 -273.49 335.503624 -50.911792 211.026360 3.580825 3.068177 4.058530 1426 1519 -1.00 -273.39 164.347167 -177.727370 36.761023 2.494614 1.518732 4.192792 1427 1520 -1.00 -273.31 239.728953 -26.907132 285.266522 2.586184 1.699840 6.234830 1428 1521 -1.00 -273.31 28.532210 129.141559 48.228811 4.496558 0.890902 1.448721 1429 1522 -1.00 -273.23 179.925168 41.418921 -81.086188 5.571173 1.100760 3.269842 1430 1523 -1.00 -273.21 217.276359 167.710648 14.817452 5.108212 1.978612 3.814441 1431 1525 -1.00 -273.16 83.172410 -154.828641 44.662836 1.863755 1.889057 3.976794 1432 1526 -1.00 -273.16 46.751240 59.270100 -53.614748 3.237170 0.326892 2.678173 1433 1527 -1.00 -273.09 138.812232 -124.460796 248.363080 3.095201 2.522790 5.500029 1434 1528 -1.00 -272.94 164.452710 -167.081202 13.569688 2.017192 1.933190 3.576534 1435 1529 -1.00 -272.91 134.738951 -106.552193 -49.034150 2.506539 0.899672 3.900993 1436 1530 -1.00 -272.73 132.201310 165.494579 208.724442 3.917081 1.880828 1.018025 1437 1531 -1.00 -272.71 72.338273 158.488532 5.365812 4.058168 0.530354 1.496582 1438 1532 -1.00 -272.61 12.716670 18.584446 232.302070 5.840645 1.262649 0.225865 1439 1533 -1.00 -272.60 206.684292 55.371116 291.118193 1.750104 2.370195 0.213772 1440 1534 -1.00 -272.47 146.009209 -108.868559 -43.865398 2.885389 0.887236 3.808097