*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 0.65 A TRANSFORM 0.0031 -0.4378 0.8991 -0.5655 -0.7422 -0.3595 0.8247 -0.5073 -0.2499 18.803 83.879 10.109 B 99 ARG A 41 ARG.? B 101 ASP A 43 ASP.? B 132 ASP A 116 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 0.67 A TRANSFORM 0.0281 0.4284 -0.9031 0.6683 0.6638 0.3357 0.7434 -0.6130 -0.2677 3.447 -57.917 19.787 A 99 ARG A 41 ARG.? A 101 ASP A 43 ASP.? A 132 ASP A 116 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 0.67 A TRANSFORM 0.0274 0.4217 -0.9063 0.6523 0.6795 0.3359 0.7575 -0.6004 -0.2564 3.817 -58.120 18.236 A 99 ARG A 41 ARG.? A 101 ASP A 43 ASP.? A 132 ASP A 116 ASP~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 0.68 A TRANSFORM -0.0154 -0.4166 0.9089 -0.5774 -0.7385 -0.3482 0.8163 -0.5302 -0.2292 18.216 83.788 11.501 B 99 ARG A 41 ARG.? B 101 ASP A 43 ASP.? B 132 ASP A 116 ASP~? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 3 3 RMSD = 0.71 A TRANSFORM -0.0860 0.4757 0.8754 0.8992 0.4154 -0.1374 -0.4289 0.7754 -0.4635 -22.111 5.741 21.451 A 311 GLU B 7 GLU~? A 475 GLU B 11 GLU~? A 477 ARG B 10 ARG~? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 2 3 RMSD = 0.74 A TRANSFORM 0.4308 0.8867 -0.1678 0.6061 -0.1465 0.7818 0.6686 -0.4385 -0.6006 -45.040 -13.505 13.116 A 40 HIS A 105 HIS^? A 58 GLU A 142 GLU^? A 92 HIS B 128 HIS.? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 2 3 RMSD = 0.77 A TRANSFORM 0.1237 -0.5054 -0.8540 -0.0839 0.8522 -0.5165 0.9888 0.1355 0.0630 79.059 -18.816 58.981 B 311 GLU B 7 GLU~? B 475 GLU B 11 GLU~? B 477 ARG B 10 ARG~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 0.87 A TRANSFORM -0.0522 0.6075 0.7926 -0.7149 0.5315 -0.4544 -0.6973 -0.5903 0.4066 -38.181 14.689 55.437 A 99 ARG B 41 ARG.? A 101 ASP B 43 ASP.? A 132 ASP B 116 ASP~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 0.88 A TRANSFORM 0.0406 -0.6038 -0.7961 0.6462 -0.5919 0.4818 -0.7621 -0.5340 0.3661 61.258 15.310 55.249 B 99 ARG B 41 ARG.? B 101 ASP B 43 ASP.? B 132 ASP B 116 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 0.89 A TRANSFORM 0.0219 -0.6243 -0.7809 0.6348 -0.5947 0.4933 -0.7724 -0.5065 0.3833 62.575 15.710 53.484 B 99 ARG B 41 ARG.? B 101 ASP B 43 ASP.? B 132 ASP B 116 ASP~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 0.89 A TRANSFORM -0.9782 0.0043 0.2074 0.0965 0.8946 0.4364 -0.1837 0.4469 -0.8755 19.575 -15.911 32.418 B 1 SER B 192 SER.? B 69 ALA B 36 ALA~? B 241 ASN B 40 ASN.? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 2 3 RMSD = 0.90 A TRANSFORM 0.2831 0.3926 0.8750 0.3922 0.7852 -0.4792 -0.8752 0.4789 0.0683 -46.823 -5.527 27.270 B 40 HIS A 105 HIS^? B 58 GLU A 142 GLU^? B 92 HIS B 128 HIS.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.90 A TRANSFORM 0.4627 -0.8751 -0.1419 0.4215 0.0763 0.9036 -0.7799 -0.4779 0.4041 49.236 -99.200 -100.392 A 183 GLY B 101 GLY.? B 419 GLY B 180 GLY~? B 420 ALA B 178 ALA~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 0.91 A TRANSFORM -0.0541 0.6129 0.7883 -0.7302 0.5142 -0.4499 -0.6810 -0.6000 0.4198 -38.237 15.985 55.267 A 99 ARG B 41 ARG.? A 101 ASP B 43 ASP.? A 132 ASP B 116 ASP~? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 3 3 RMSD = 0.92 A TRANSFORM -0.3107 0.1632 -0.9364 -0.4034 0.8694 0.2853 0.8607 0.4664 -0.2042 22.841 2.623 -28.621 B 40 HIS B 105 HIS^? B 58 GLU B 142 GLU^? B 92 HIS A 128 HIS.? ULMNm 3 1g8o_c01 N-ACETYLLACTOSAMINIDE ALPHA-1,3- GALuser 8 3 RMSD = 0.98 A TRANSFORM 0.7614 -0.4282 -0.4868 -0.3904 0.2966 -0.8716 0.5176 0.8536 0.0586 67.044 46.355 -7.764 A 314 TRP B 96 TRP^? A 317 GLU B 60 GLU.? A 365 ARG B 154 ARG^? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 0.98 A TRANSFORM 0.0387 0.9876 -0.1518 -0.1799 -0.1426 -0.9733 -0.9829 0.0650 0.1721 -63.874 80.550 83.461 D 603 HIS A 75 HIS.? D 646 ASP A 27 ASP~? D 739 GLY A 180 GLY~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.99 A TRANSFORM -0.3939 -0.9052 0.1594 -0.4001 0.0128 -0.9164 0.8275 -0.4247 -0.3672 74.892 -28.320 -143.903 A 183 GLY A 101 GLY.? B 419 GLY A 180 GLY~? B 420 ALA A 178 ALA~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 5 3 RMSD = 1.00 A TRANSFORM -0.4826 -0.1885 -0.8553 -0.6420 0.7404 0.1991 0.5957 0.6452 -0.4783 74.253 -116.511 -158.081 A 420 ALA B 178 ALA~? B 182 GLY B 52 GLY.? B 183 GLY B 101 GLY.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.01 A TRANSFORM -0.9532 0.2518 0.1675 0.2974 0.8806 0.3690 -0.0546 0.4015 -0.9142 39.052 -40.891 78.644 A 241 ASP A 43 ASP.? A 265 GLU A 142 GLU^? A 369 ASP A 116 ASP~? ULMNm 3 1g8o_c01 N-ACETYLLACTOSAMINIDE ALPHA-1,3- GALuser 7 3 RMSD = 1.01 A TRANSFORM -0.9869 -0.1543 -0.0473 -0.1587 0.8738 0.4597 -0.0297 0.4612 -0.8868 111.707 -30.708 19.240 A 314 TRP B 6 TRP~? A 317 GLU B 7 GLU~? A 365 ARG B 41 ARG.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 6 3 RMSD = 1.06 A TRANSFORM 0.5890 0.2218 0.7771 0.5103 -0.8477 -0.1449 0.6266 0.4819 -0.6125 2.988 -81.314 -150.483 A 420 ALA B 178 ALA~? B 182 GLY B 101 GLY.? B 183 GLY B 52 GLY.? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.06 A TRANSFORM 0.7089 -0.5119 0.4853 -0.6506 -0.2087 0.7302 -0.2725 -0.8333 -0.4810 -14.160 76.114 56.832 A 603 HIS A 75 HIS.? A 646 ASP A 27 ASP~? A 739 GLY A 180 GLY~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 5 3 RMSD = 1.07 A TRANSFORM 0.9099 0.3285 -0.2535 -0.4138 0.7626 -0.4972 0.0300 0.5572 0.8298 -22.743 8.084 31.818 A 241 ASP B 43 ASP.? A 265 GLU B 142 GLU^? A 369 ASP B 116 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.08 A TRANSFORM -0.6255 0.0880 -0.7753 -0.4120 -0.8811 0.2324 -0.6626 0.4648 0.5873 85.432 -55.292 -129.174 A 420 ALA A 178 ALA~? B 182 GLY A 101 GLY.? B 183 GLY A 52 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.08 A TRANSFORM 0.5197 -0.0614 0.8521 0.5532 0.7842 -0.2809 -0.6510 0.6174 0.4416 -3.659 -150.576 -131.814 A 420 ALA A 178 ALA~? B 182 GLY A 52 GLY.? B 183 GLY A 101 GLY.? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.09 A TRANSFORM 0.7381 -0.5203 0.4295 -0.5941 -0.1998 0.7792 -0.3196 -0.8303 -0.4566 -16.097 70.522 121.504 C 603 HIS A 75 HIS.? C 646 ASP A 27 ASP~? C 739 GLY A 180 GLY~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 7 3 RMSD = 1.09 A TRANSFORM -0.9573 0.2883 0.0216 -0.2603 -0.8919 0.3698 0.1259 0.3484 0.9288 152.972 76.380 -10.369 B 55 ASP A 164 ASP~? B 58 ASP A 162 ASP~? B 424 GLU B 159 GLU.? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 10 3 RMSD = 1.09 A TRANSFORM 0.0648 -0.9809 0.1833 0.7966 -0.0598 -0.6016 0.6011 0.1850 0.7775 63.313 24.302 -26.682 A 55 ASP A 164 ASP~? A 58 ASP A 162 ASP~? A 424 GLU B 159 GLU.? ULMNm 3 1ig8_c00 HEXOKINASE PII user 1 3 RMSD = 1.13 A TRANSFORM 0.0454 -0.8851 0.4632 -0.3925 0.4106 0.8230 -0.9186 -0.2191 -0.3288 44.996 56.117 64.192 A 158 SER A 51 SER.? A 173 ARG A 144 ARG.? A 211 ASP A 27 ASP~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 2 3 RMSD = 1.17 A TRANSFORM 0.8836 0.0862 -0.4602 0.2985 0.6536 0.6955 0.3607 -0.7519 0.5518 -25.419 -62.822 10.370 A 50 HIS A 105 HIS^? A 96 GLU A 142 GLU^? A 137 HIS B 128 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.19 A TRANSFORM -0.9980 0.0214 0.0600 -0.0529 -0.8023 -0.5946 0.0354 -0.5966 0.8018 73.041 -46.473 -113.958 A 420 ALA B 133 ALA^? B 182 GLY B 130 GLY^? B 183 GLY A 130 GLY^? ULMNm 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 RMSD = 1.20 A TRANSFORM 0.1548 0.8232 -0.5463 -0.9123 0.3313 0.2408 0.3792 0.4611 0.8022 -12.085 97.821 -3.401 A 123 HIS A 151 HIS^? A 200 ASP A 64 ASP.? A 229 LYS B 183 LYS~? ULMNm 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 RMSD = 1.20 A TRANSFORM -0.9872 -0.1566 0.0297 -0.1027 0.4828 -0.8697 0.1219 -0.8616 -0.4927 49.189 106.474 116.188 B 123 HIS A 151 HIS^? B 200 ASP A 64 ASP.? B 229 LYS B 183 LYS~? ULMNm 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 RMSD = 1.20 A TRANSFORM -0.2740 -0.0053 -0.9617 0.9113 -0.3208 -0.2579 -0.3072 -0.9471 0.0927 59.436 45.682 115.947 C 123 HIS A 151 HIS^? C 200 ASP A 64 ASP.? C 229 LYS B 183 LYS~? ULMNm 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 RMSD = 1.21 A TRANSFORM -0.5819 0.6891 0.4318 0.0834 -0.4776 0.8746 0.8090 0.5449 0.2205 -16.074 37.015 4.800 D 123 HIS A 151 HIS^? D 200 ASP A 64 ASP.? D 229 LYS B 183 LYS~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.21 A TRANSFORM 0.2296 0.9291 -0.2900 -0.2990 -0.2162 -0.9294 -0.9262 0.3001 0.2281 -64.972 90.794 6.161 B 603 HIS A 75 HIS.? B 646 ASP A 27 ASP~? B 739 GLY A 180 GLY~? ULMNm 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 11 3 RMSD = 1.21 A TRANSFORM -0.9815 -0.0693 0.1786 -0.1891 0.4979 -0.8464 -0.0303 -0.8645 -0.5017 41.233 107.279 120.643 B 123 HIS B 151 HIS^? B 200 ASP A 64 ASP.? B 229 LYS B 183 LYS~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 1 3 RMSD = 1.21 A TRANSFORM 0.8511 0.3624 -0.3799 0.4631 -0.8592 0.2178 -0.2475 -0.3613 -0.8990 -42.979 43.554 44.776 A 14 GLU A 142 GLU^? A 61 GLU B 142 GLU^? A 162 HIS B 128 HIS.? ULMNm 3 1pyl_c00 RIBONUCLEASE user 1 3 RMSD = 1.21 A TRANSFORM -0.2658 -0.4696 0.8419 -0.2540 0.8766 0.4087 -0.9300 -0.1052 -0.3523 30.652 -40.277 69.302 A 56 GLU A 142 GLU^? A 67 ARG B 122 ARG~? A 86 HIS B 128 HIS.? ULMNm 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 11 3 RMSD = 1.21 A TRANSFORM 0.1431 0.8113 -0.5669 -0.8328 0.4082 0.3740 0.5348 0.4186 0.7340 -10.899 88.748 -3.777 A 123 HIS B 151 HIS^? A 200 ASP A 64 ASP.? A 229 LYS B 183 LYS~? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 1 3 RMSD = 1.21 A TRANSFORM 0.7618 -0.3598 0.5388 0.6273 0.2016 -0.7523 0.1621 0.9110 0.3792 -47.143 25.516 -11.486 A 53 SER A 51 SER.? A 54 PRO A 102 PRO.? A 96 ASP A 29 ASP~? ULMNm 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 11 3 RMSD = 1.21 A TRANSFORM -0.4149 0.0276 -0.9095 0.8302 -0.3975 -0.3908 -0.3723 -0.9172 0.1420 60.182 54.778 115.189 C 123 HIS B 151 HIS^? C 200 ASP A 64 ASP.? C 229 LYS B 183 LYS~? ULMNm 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 11 3 RMSD = 1.22 A TRANSFORM -0.4471 0.7338 0.5116 0.1713 -0.4911 0.8541 0.8779 0.4695 0.0939 -23.785 36.022 9.636 D 123 HIS B 151 HIS^? D 200 ASP A 64 ASP.? D 229 LYS B 183 LYS~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 3 3 RMSD = 1.22 A TRANSFORM -0.8663 0.1954 0.4596 -0.3375 0.4494 -0.8271 -0.3681 -0.8717 -0.3234 12.785 0.975 60.690 A 50 HIS B 105 HIS^? A 96 GLU B 142 GLU^? A 137 HIS A 128 HIS.? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 9 3 RMSD = 1.22 A TRANSFORM -0.5830 -0.3139 0.7494 0.5210 0.5633 0.6413 -0.6234 0.7643 -0.1649 -26.028 -7.592 64.552 A 130 SER B 49 SER^? A 166 PHE B 33 PHE~? A 182 PHE B 126 PHE.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 9 3 RMSD = 1.23 A TRANSFORM 0.8491 -0.2535 -0.4633 -0.5179 -0.5721 -0.6360 -0.1038 0.7800 -0.6171 -6.376 109.347 25.237 C 130 SER B 49 SER^? C 166 PHE B 33 PHE~? C 182 PHE B 126 PHE.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.24 A TRANSFORM 0.9908 0.0980 -0.0931 0.1351 -0.6970 0.7042 0.0041 -0.7103 -0.7039 1.671 -85.295 -76.005 A 420 ALA A 133 ALA^? B 182 GLY A 130 GLY^? B 183 GLY B 130 GLY^? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 1 3 RMSD = 1.24 A TRANSFORM 0.0947 0.4947 -0.8639 -0.9580 0.2814 0.0561 0.2708 0.8223 0.5005 2.610 76.712 -25.972 A 311 GLU A 7 GLU~? A 475 GLU A 11 GLU~? A 477 ARG A 10 ARG~? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 1 3 RMSD = 1.27 A TRANSFORM 0.2994 -0.0561 0.9525 -0.1903 -0.9817 0.0020 0.9349 -0.1819 -0.3046 -23.599 82.425 -7.434 41 HIS A 105 HIS^? 62 GLU A 142 GLU^? 101 HIS B 128 HIS.? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.28 A TRANSFORM 0.1848 -0.6780 -0.7115 0.9625 -0.0213 0.2703 -0.1984 -0.7348 0.6486 19.091 -19.919 110.837 B 34 SER A 192 SER~? B 37 ASN A 40 ASN~? B 45 THR A 46 THR^? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 4 3 RMSD = 1.29 A TRANSFORM 0.5763 -0.3882 -0.7191 -0.5364 0.4842 -0.6913 0.6166 0.7841 0.0708 -32.768 61.374 13.683 A 130 SER A 49 SER^? A 166 PHE A 33 PHE~? A 182 PHE A 126 PHE.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 4 3 RMSD = 1.30 A TRANSFORM -0.8399 -0.2096 0.5006 0.5328 -0.4940 0.6871 0.1033 0.8438 0.5266 31.840 40.881 -9.925 C 130 SER A 49 SER^? C 166 PHE A 33 PHE~? C 182 PHE A 126 PHE.? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 1 3 RMSD = 1.30 A TRANSFORM -0.1135 -0.5216 0.8456 -0.0943 0.8529 0.5135 -0.9891 -0.0215 -0.1460 56.661 -38.878 143.713 B 311 GLU A 7 GLU~? B 475 GLU A 11 GLU~? B 477 ARG A 10 ARG~? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 9 3 RMSD = 1.30 A TRANSFORM 0.2736 0.1221 -0.9541 0.8927 0.3370 0.2992 0.3581 -0.9335 -0.0168 -22.074 5.981 131.665 B 130 SER B 49 SER^? B 166 PHE B 33 PHE~? B 182 PHE B 126 PHE.? ULMNm 3 1g8o_c01 N-ACETYLLACTOSAMINIDE ALPHA-1,3- GALuser 5 3 RMSD = 1.31 A TRANSFORM -0.7433 -0.4264 0.5154 0.3672 0.3839 0.8472 -0.5591 0.8190 -0.1288 100.282 -21.360 36.631 A 314 TRP A 96 TRP^? A 317 GLU A 60 GLU.? A 365 ARG A 154 ARG^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 RMSD = 1.31 A TRANSFORM 0.1319 -0.4772 0.8689 -0.1161 -0.8779 -0.4645 0.9844 -0.0396 -0.1712 46.298 119.175 3.993 229 ASP B 64 ASP.? 264 GLU B 159 GLU.? 328 ASP B 58 ASP^? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 16 3 RMSD = 1.31 A TRANSFORM -0.0478 -0.9952 -0.0854 -0.7537 -0.0202 0.6569 -0.6555 0.0958 -0.7491 73.418 53.635 55.075 A 55 ASP B 164 ASP~? A 58 ASP B 162 ASP~? A 424 GLU A 159 GLU.? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 4 3 RMSD = 1.31 A TRANSFORM -0.2629 0.2218 0.9390 -0.9035 0.2848 -0.3202 -0.3385 -0.9326 0.1256 -47.502 85.315 154.246 B 130 SER A 49 SER^? B 166 PHE A 33 PHE~? B 182 PHE A 126 PHE.? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 5 3 RMSD = 1.32 A TRANSFORM -0.2489 0.8818 -0.4006 -0.3536 0.3024 0.8852 0.9017 0.3620 0.2366 40.530 53.579 88.128 A 40 LYS B 163 LYS~? A 41 LYS B 165 LYS~? A 42 ILE B 166 ILE~? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 9 3 RMSD = 1.32 A TRANSFORM -0.4375 0.5082 0.7418 -0.8937 -0.3369 -0.2963 0.0994 -0.7926 0.6016 -52.656 95.568 73.445 D 130 SER B 49 SER^? D 166 PHE B 33 PHE~? D 182 PHE B 126 PHE.? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 1 3 RMSD = 1.33 A TRANSFORM 0.5805 -0.7448 -0.3291 -0.2103 -0.5276 0.8231 -0.7866 -0.4086 -0.4629 23.504 6.300 98.201 111 GLN A 91 GLN.? 294 GLU A 159 GLU.? 304 ARG A 93 ARG.? ULMNm 3 1k4t_c00 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-user 4 3 RMSD = 1.33 A TRANSFORM -0.2313 -0.4057 0.8842 0.9325 0.1666 0.3204 -0.2773 0.8987 0.3398 24.410 -37.968 -8.272 A 488 ARG B 148 ARG^? A 590 ARG A 148 ARG^? A 632 HIS B 128 HIS.? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 11 3 RMSD = 1.33 A TRANSFORM 0.9448 0.3073 -0.1135 0.2622 -0.9171 -0.3004 -0.1964 0.2541 -0.9470 84.972 71.892 44.439 B 55 ASP B 164 ASP~? B 58 ASP B 162 ASP~? B 424 GLU A 159 GLU.? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.33 A TRANSFORM -0.7185 -0.4952 -0.4884 0.0613 -0.7446 0.6647 -0.6929 0.4477 0.5653 133.743 56.691 -29.546 B 311 HIS A 128 HIS.? B 341 GLU B 142 GLU^? B 356 HIS B 128 HIS.? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.34 A TRANSFORM -0.9923 0.0776 0.0970 -0.0049 -0.8046 0.5938 0.1241 0.5888 0.7987 152.362 61.755 -24.829 A 311 HIS A 128 HIS.? A 341 GLU B 142 GLU^? A 356 HIS B 128 HIS.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.35 A TRANSFORM 0.6191 -0.5180 0.5903 -0.7774 -0.5108 0.3670 0.1114 -0.6861 -0.7189 12.532 91.759 4.733 D 465 GLY B 125 GLY.? D 501 ASP A 58 ASP^? E 367 TYR A 45 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.35 A TRANSFORM 0.9980 0.0405 0.0495 0.0037 0.7363 -0.6767 -0.0638 0.6755 0.7346 -23.395 12.008 -71.980 A 465 GLY B 125 GLY.? A 501 ASP A 58 ASP^? B 367 TYR A 45 TYR^? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 4 3 RMSD = 1.35 A TRANSFORM 0.4170 0.4306 -0.8004 0.9042 -0.2859 0.3173 -0.0922 -0.8561 -0.5086 -47.509 16.353 107.256 D 130 SER A 49 SER^? D 166 PHE A 33 PHE~? D 182 PHE A 126 PHE.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.35 A TRANSFORM 0.1147 -0.5326 0.8385 -0.7804 -0.5706 -0.2557 0.6147 -0.6251 -0.4811 -2.917 78.483 9.867 141 ASP A 27 ASP~? 166 GLY A 125 GLY~? 169 GLU A 123 GLU~? ULMNm 3 1oya_c00 OLD YELLOW ENZYME (OXIDIZED) (OYE) (user 1 3 RMSD = 1.36 A TRANSFORM 0.8036 -0.5877 0.0943 -0.5159 -0.6087 0.6028 -0.2969 -0.5331 -0.7923 59.677 107.323 53.735 191 HIS B 19 HIS~? 194 ASN B 15 ASN~? 196 TYR B 18 TYR~? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 2 3 RMSD = 1.36 A TRANSFORM -0.2178 0.2553 0.9420 -0.2910 -0.9383 0.1870 0.9316 -0.2334 0.2786 17.914 82.380 -1.559 10 ASN A 74 ASN^? 20 HIS A 75 HIS.? 93 ASP A 27 ASP~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 2 3 RMSD = 1.37 A TRANSFORM -0.8501 0.4164 0.3224 -0.4567 -0.8877 -0.0577 0.2622 -0.1963 0.9448 0.475 83.619 -19.754 A 14 GLU B 142 GLU^? A 61 GLU A 142 GLU^? A 162 HIS A 128 HIS.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.38 A TRANSFORM -0.1878 -0.4022 -0.8961 -0.9544 -0.1409 0.2633 -0.2322 0.9046 -0.3574 79.826 16.336 33.258 A 198 GLY B 101 GLY.? A 228 SER B 51 SER.? A 549 ASP B 27 ASP~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 3 3 RMSD = 1.39 A TRANSFORM -0.5239 -0.7601 0.3845 0.2093 -0.5525 -0.8068 0.8257 -0.3422 0.4485 48.868 27.284 16.447 111 GLN B 91 GLN.? 294 GLU B 159 GLU.? 304 ARG B 93 ARG.? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 2 3 RMSD = 1.41 A TRANSFORM -0.9331 0.3438 0.1055 0.2883 0.8904 -0.3522 -0.2150 -0.2982 -0.9300 96.098 20.300 32.969 B 137 GLY B 32 GLY~? B 175 ARG B 39 ARG~? B 242 TYR B 38 TYR~? ULMNm 3 1mla_c00 MALONYL-COENZYME A ACYL CARRIER PROTuser 2 3 RMSD = 1.41 A TRANSFORM -0.7194 -0.4414 0.5363 0.1411 -0.8489 -0.5094 0.6801 -0.2908 0.6730 73.221 40.744 2.386 92 SER B 48 SER^? 201 HIS B 105 HIS^? 250 GLN B 47 GLN^? ULMNm 3 1kim_c00 THYMIDINE KINASE user 11 3 RMSD = 1.43 A TRANSFORM -0.0533 -0.9058 0.4203 0.7741 -0.3034 -0.5556 0.6308 0.2957 0.7174 66.160 85.756 7.461 A 83 GLU B 175 GLU~? A 163 ARG B 179 ARG~? A 222 ARG A 94 ARG^? ULMNm 3 1pyl_c01 RIBONUCLEASE user 1 3 RMSD = 1.43 A TRANSFORM 0.2577 0.9180 -0.3015 0.0706 0.2933 0.9534 0.9636 -0.2670 0.0108 -14.326 -47.022 -14.004 B 56 GLU A 142 GLU^? B 67 ARG B 122 ARG~? B 86 HIS B 128 HIS.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.43 A TRANSFORM -0.0643 -0.5588 -0.8268 0.2020 -0.8187 0.5376 -0.9773 -0.1325 0.1656 92.802 84.276 71.129 229 ASP A 64 ASP.? 264 GLU A 159 GLU.? 328 ASP A 58 ASP^? ULMNm 3 1k4t_c00 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-user 1 3 RMSD = 1.43 A TRANSFORM 0.2207 -0.4475 -0.8666 -0.9696 -0.0045 -0.2447 0.1056 0.8943 -0.4349 47.595 49.668 -5.101 A 488 ARG A 148 ARG^? A 590 ARG B 148 ARG^? A 632 HIS A 128 HIS.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 6 3 RMSD = 1.44 A TRANSFORM -0.1043 -0.9308 -0.3503 -0.8085 0.2845 -0.5152 0.5792 0.2295 -0.7822 87.858 66.252 -9.434 199 ASP B 64 ASP.? 242 GLU A 142 GLU^? 329 ASP B 58 ASP^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.44 A TRANSFORM -0.5534 -0.6221 -0.5538 0.8293 -0.4738 -0.2964 -0.0780 -0.6233 0.7781 82.763 46.397 -22.638 D 465 GLY A 125 GLY~? D 501 ASP B 58 ASP^? E 367 TYR B 45 TYR^? ULMNm 3 1k12_p00 LECTIN user 4 3 RMSD = 1.45 A TRANSFORM -0.9877 -0.0311 0.1533 0.0338 0.9143 0.4036 -0.1527 0.4039 -0.9020 24.663 -23.920 15.312 A 52 HIS B 128 HIS.? A 79 ARG A 144 ARG.? A 86 ARG A 148 ARG^? ULMNm 3 1a0j_c14 TRYPSIN user 1 3 RMSD = 1.45 A TRANSFORM 0.7217 -0.3709 -0.5844 -0.5575 0.1889 -0.8084 0.4103 0.9092 -0.0704 31.416 88.009 21.326 C 57 HIS A 75 HIS.? C 102 ASP A 27 ASP~? C 193 GLY A 101 GLY.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.46 A TRANSFORM -0.8555 -0.2800 -0.4356 -0.5129 0.3418 0.7875 -0.0716 0.8971 -0.4360 167.183 59.311 102.290 B1198 GLY B 101 GLY.? B1228 SER B 51 SER.? B1549 ASP B 27 ASP~? ULMNm 3 2dbt_c00 CHITINASE C user 2 3 RMSD = 1.46 A TRANSFORM -0.2400 -0.9432 0.2296 -0.9608 0.1970 -0.1949 0.1386 -0.2674 -0.9536 92.301 44.316 36.743 A 147 GLU A 155 GLU.? A 156 GLU A 60 GLU.? A 194 ASN B 174 ASN~? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 1 3 RMSD = 1.46 A TRANSFORM -0.4980 -0.1517 -0.8538 0.7139 0.4873 -0.5029 0.4924 -0.8600 -0.1344 32.860 -31.715 10.496 A 54 GLU B 142 GLU^? A 65 ARG B 122 ARG~? A 85 HIS B 128 HIS.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.47 A TRANSFORM -0.9956 -0.0506 -0.0788 -0.0879 0.7930 0.6029 0.0320 0.6072 -0.7939 54.568 -13.710 -40.365 A 465 GLY A 125 GLY~? A 501 ASP B 58 ASP^? B 367 TYR B 45 TYR^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.47 A TRANSFORM 0.9610 -0.1933 -0.1979 0.2186 0.9690 0.1154 0.1694 -0.1542 0.9734 11.484 -59.341 28.834 A 198 GLY A 101 GLY.? A 228 SER A 51 SER.? A 549 ASP A 29 ASP~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.47 A TRANSFORM 0.2055 -0.9636 -0.1712 -0.6808 -0.2664 0.6823 -0.7030 -0.0237 -0.7108 56.085 13.177 166.068 C 70 ALA B 13 ALA~? C 126 LEU B 14 LEU~? C 158 GLU B 11 GLU~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 6 3 RMSD = 1.48 A TRANSFORM -0.4778 -0.8782 -0.0223 -0.4206 0.2064 0.8835 -0.7713 0.4315 -0.4680 75.139 12.601 84.142 A 241 ASP B 116 ASP~? A 265 GLU B 142 GLU^? A 369 ASP B 43 ASP.? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.48 A TRANSFORM 0.5453 0.3230 0.7735 0.7250 0.2815 -0.6286 -0.4208 0.9036 -0.0806 -57.729 14.265 77.213 C 14 ASP A 27 ASP~? C 16 HIS A 75 HIS.? C 67 GLY A 24 GLY.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.48 A TRANSFORM -0.6937 0.6190 0.3682 0.6278 0.2690 0.7304 0.3531 0.7378 -0.5753 -53.054 -67.420 106.993 B 70 ALA A 13 ALA~? B 126 LEU A 9 LEU~? B 158 GLU A 8 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.48 A TRANSFORM 0.9020 -0.0462 0.4293 0.3161 -0.6067 -0.7294 0.2942 0.7936 -0.5326 -59.681 81.592 102.700 A 70 ALA A 13 ALA~? A 126 LEU A 9 LEU~? A 158 GLU A 8 GLU~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 9 3 RMSD = 1.48 A TRANSFORM 0.4131 -0.8890 -0.1975 -0.4614 -0.0174 -0.8870 0.7851 0.4576 -0.4174 122.981 81.404 -5.366 B 55 ASP B 82 ASP~? B 58 ASP B 85 ASP~? B 424 GLU B 84 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.49 A TRANSFORM 0.4260 0.7118 -0.5584 0.5006 -0.6996 -0.5099 -0.7536 -0.0623 -0.6543 -46.162 67.592 167.497 A 70 ALA B 13 ALA~? A 126 LEU B 14 LEU~? A 158 GLU B 11 GLU~? ULMNm 3 1qtn_c02 ACETYL-ILE-GLU-THR-ASP-ALDEHYDE user 1 3 RMSD = 1.49 A TRANSFORM -0.5496 -0.7309 0.4047 0.8040 -0.5943 0.0185 0.2269 0.3356 0.9143 31.991 21.754 -16.815 A 317 HIS A 75 HIS.? A 318 GLY A 52 GLY.? A 360 CYH A 50 CYH^? ULMNm 3 1ig8_c00 HEXOKINASE PII user 7 3 RMSD = 1.49 A TRANSFORM 0.1030 -0.8152 -0.5699 0.2760 0.5739 -0.7710 0.9556 -0.0779 0.2841 61.767 59.280 -22.493 A 158 SER B 51 SER.? A 173 ARG B 144 ARG^? A 211 ASP B 27 ASP~? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 3 3 RMSD = 1.49 A TRANSFORM 0.5382 0.1033 0.8365 0.4254 -0.8901 -0.1638 0.7276 0.4440 -0.5230 -8.241 63.559 96.373 A 40 LYS A 165 LYS~? A 41 LYS A 167 LYS~? A 42 ILE A 166 ILE~? ULMNm 3 1a0j_c15 TRYPSIN user 1 3 RMSD = 1.49 A TRANSFORM 0.4205 0.7318 0.5363 0.2182 0.4921 -0.8427 -0.8807 0.4714 0.0473 -57.288 13.238 120.209 D 57 HIS A 75 HIS.? D 102 ASP A 27 ASP~? D 193 GLY A 101 GLY.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.50 A TRANSFORM -0.7103 0.2468 0.6592 0.1133 0.9644 -0.2390 -0.6947 -0.0950 -0.7130 -41.909 -48.086 170.937 B 70 ALA B 13 ALA~? B 126 LEU B 14 LEU~? B 158 GLU B 11 GLU~? ULMNm 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 RMSD = 1.50 A TRANSFORM 0.1480 -0.1207 -0.9816 -0.7219 0.6652 -0.1907 0.6760 0.7368 0.0113 44.418 18.586 -21.358 A 317 GLU A 60 GLU.? A 319 ASP A 64 ASP.? A 359 ARG A 65 ARG.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.50 A TRANSFORM -0.1707 -0.4879 -0.8560 -0.9080 0.4152 -0.0556 0.3825 0.7678 -0.5139 73.695 12.262 100.494 C 70 ALA A 13 ALA~? C 126 LEU A 9 LEU~? C 158 GLU A 8 GLU~?