*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 40 3 RMSD = 1.04 A TRANSFORM 0.1164 -0.9808 -0.1564 0.7175 -0.0259 0.6961 -0.6868 -0.1932 0.7007 71.940 45.925 94.323 A 50 GLN D 39 GLN~? A 91 LEU D 36 LEU~? A 133 GLU D 68 GLU.? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 41 3 RMSD = 1.13 A TRANSFORM 0.9879 -0.0736 -0.1365 0.0868 0.9919 0.0931 0.1285 -0.1038 0.9863 25.574 5.005 76.364 A 50 GLN D 39 GLN~? A 91 LEU D 36 LEU~? A 133 GLU D 68 GLU.? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 42 3 RMSD = 1.14 A TRANSFORM 0.6975 0.7108 -0.0910 -0.7065 0.7033 0.0782 0.1196 0.0098 0.9928 26.568 22.444 48.630 C1050 GLN D 39 GLN~? C1091 LEU D 36 LEU~? C1133 GLU D 68 GLU.? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 1 3 RMSD = 1.16 A TRANSFORM -0.9466 -0.3167 -0.0604 -0.0448 0.3148 -0.9481 0.3193 -0.8948 -0.3122 119.476 78.446 37.462 B 137 GLY C 73 GLY~? B 175 ARG B 42 ARG~? B 242 TYR B 35 TYR~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 41 3 RMSD = 1.16 A TRANSFORM 0.0676 -0.9952 0.0707 -0.9976 -0.0664 0.0200 -0.0152 -0.0718 -0.9973 125.176 66.899 51.828 B 550 GLN D 39 GLN~? B 591 LEU D 36 LEU~? B 633 GLU D 68 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 13 3 RMSD = 1.20 A TRANSFORM 0.4934 -0.3641 -0.7899 -0.8395 0.0383 -0.5420 0.2276 0.9306 -0.2867 19.486 55.239 -18.762 141 ASP C 49 ASP~? 166 GLY C 61 GLY~? 169 GLU C 91 GLU~? ULMNm 3 1f80_c04 ACYL CARRIER PROTEIN user 2 3 RMSD = 1.21 A TRANSFORM 0.8519 -0.1249 -0.5087 -0.1219 -0.9918 0.0394 -0.5094 0.0284 -0.8601 43.969 53.761 13.522 B 62 LYS B 99 LYS~? C 105 HIS B 92 HIS~? D 35 ASP D 88 ASP~? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 4 3 RMSD = 1.22 A TRANSFORM 0.3003 -0.7115 0.6353 0.4699 0.6900 0.5506 -0.8301 0.1332 0.5415 55.468 20.729 44.044 A 107 ASP D 88 ASP~? A 246 ASP B 86 ASP~? A 275 HIS D 92 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.22 A TRANSFORM -0.0352 -0.3570 0.9334 0.9969 0.0532 0.0579 -0.0703 0.9326 0.3540 -8.106 12.691 -36.227 141 ASP B 49 ASP~? 166 GLY B 61 GLY~? 169 GLU B 91 GLU~? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.25 A TRANSFORM 0.7097 0.7020 -0.0595 0.7033 -0.7010 0.1186 0.0415 -0.1260 -0.9912 4.903 70.436 53.314 A 107 ASP B 88 ASP~? A 246 ASP D 86 ASP~? A 275 HIS B 92 HIS~? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.26 A TRANSFORM -0.0022 -0.6720 -0.7405 -0.1431 0.7331 -0.6649 0.9897 0.1045 -0.0978 85.396 59.763 33.670 A 107 ASP A 88 ASP~? A 246 ASP C 86 ASP~? A 275 HIS A 92 HIS~? ULMNm 3 1f80_c04 ACYL CARRIER PROTEIN user 4 3 RMSD = 1.26 A TRANSFORM 0.0087 0.1055 0.9944 -0.0248 0.9941 -0.1053 -0.9997 -0.0237 0.0113 35.780 -17.318 15.472 B 62 LYS D 99 LYS~? C 105 HIS D 92 HIS~? D 35 ASP B 88 ASP~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 2 3 RMSD = 1.26 A TRANSFORM 0.4256 0.0215 -0.9047 -0.8548 0.3378 -0.3940 0.2971 0.9410 0.1622 31.285 16.735 11.737 111 GLN B 39 GLN~? 294 GLU B 75 GLU~? 304 ARG B 42 ARG~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 3 3 RMSD = 1.27 A TRANSFORM -0.4726 -0.5676 0.6741 0.2737 0.6326 0.7245 -0.8377 0.5269 -0.1436 25.787 -35.971 42.757 B 325 ASP A 28 ASP~? B 354 GLU A 74 GLU~? B 421 ASP C 28 ASP~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 5 3 RMSD = 1.27 A TRANSFORM -0.6767 0.5598 0.4782 -0.7159 -0.6521 -0.2497 0.1720 -0.5113 0.8420 14.354 44.939 53.758 B 325 ASP B 28 ASP~? B 354 GLU B 74 GLU~? B 421 ASP D 28 ASP~? ULMNm 3 1ec9_c06 GLUCARATE DEHYDRATASE user 2 3 RMSD = 1.28 A TRANSFORM 0.7567 0.4175 -0.5031 0.2135 0.5695 0.7937 0.6180 -0.7080 0.3418 9.896 -18.655 -11.884 C 205 LYS B 37 LYS~? C 207 LYS B 33 LYS~? C 366 ASP B 102 ASP~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.30 A TRANSFORM 0.4403 -0.7036 -0.5577 0.0404 -0.6050 0.7952 -0.8970 -0.3726 -0.2380 87.228 30.903 37.943 199 ASP A 28 ASP~? 218 GLU D 75 GLU~? 329 ASP C 28 ASP~? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.31 A TRANSFORM -0.7351 0.4692 0.4894 -0.6778 -0.5249 -0.5148 0.0154 -0.7102 0.7038 12.523 37.583 110.227 D 107 ASP B 88 ASP~? D 246 ASP D 86 ASP~? D 275 HIS B 92 HIS~? ULMNm 3 1f80_c05 ACYL CARRIER PROTEIN user 2 3 RMSD = 1.31 A TRANSFORM -0.1494 0.8618 0.4848 0.9276 0.2919 -0.2331 -0.3424 0.4149 -0.8430 -4.248 32.426 3.841 A 62 LYS B 99 LYS~? B 105 HIS B 92 HIS~? E 35 ASP D 88 ASP~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 3 3 RMSD = 1.31 A TRANSFORM -0.8997 -0.1195 0.4198 0.4152 0.0623 0.9076 -0.1346 0.9909 -0.0064 28.367 -22.293 25.823 111 GLN C 39 GLN~? 294 GLU C 75 GLU~? 304 ARG C 42 ARG~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 10 3 RMSD = 1.31 A TRANSFORM -0.2189 0.5843 0.7815 0.0631 -0.7907 0.6089 0.9737 0.1826 0.1362 20.687 105.587 14.884 229 ASP D 28 ASP~? 264 GLU C 69 GLU.? 328 ASP B 28 ASP~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.32 A TRANSFORM -0.1866 -0.9798 0.0719 -0.2139 -0.0309 -0.9764 0.9588 -0.1976 -0.2039 64.023 97.713 86.133 A 50 GLN A 39 GLN~? A 91 LEU A 36 LEU~? A 133 GLU A 68 GLU.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.32 A TRANSFORM 0.6952 -0.6374 -0.3324 -0.7083 -0.5285 -0.4680 0.1226 0.5608 -0.8189 40.109 43.701 10.274 A 316 ALA D 58 ALA~? A 317 GLY D 61 GLY~? A 318 ASP D 62 ASP~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 9 3 RMSD = 1.32 A TRANSFORM -0.0289 -0.5541 -0.8319 -0.6246 0.6598 -0.4178 0.7804 0.5075 -0.3652 55.405 -1.685 18.552 B 325 ASP D 28 ASP~? B 354 GLU D 74 GLU~? B 421 ASP B 28 ASP~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 27 3 RMSD = 1.32 A TRANSFORM 0.1566 0.9809 -0.1154 -0.6910 0.0253 -0.7225 -0.7057 0.1929 0.6817 12.245 91.842 61.054 A 50 GLN C 39 GLN~? A 91 LEU C 36 LEU~? A 133 GLU C 68 GLU.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.33 A TRANSFORM -0.7651 -0.6371 -0.0937 0.3583 -0.5420 0.7602 -0.5350 0.5480 0.6429 53.037 -3.504 -6.930 A 316 ALA A 58 ALA~? A 317 GLY A 61 GLY~? A 318 ASP A 62 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.34 A TRANSFORM 0.0339 0.6177 0.7857 -0.7244 0.5568 -0.4064 -0.6885 -0.5554 0.4663 -5.134 5.390 51.105 A 316 ALA B 58 ALA~? A 317 GLY B 61 GLY~? A 318 ASP B 62 ASP~? ULMNm 3 1myr_c00 MYROSINASE user 2 3 RMSD = 1.34 A TRANSFORM -0.5039 0.4156 0.7572 -0.4443 0.6270 -0.6399 -0.7407 -0.6589 -0.1313 22.438 110.161 90.831 187 GLN B 71 GLN.? 328 ASN B 72 ASN~? 409 GLU B 75 GLU~? ULMNm 3 2dbt_c01 CHITINASE C user 10 3 RMSD = 1.34 A TRANSFORM 0.4542 -0.7157 0.5306 0.8903 0.3875 -0.2394 -0.0343 0.5811 0.8131 61.270 45.743 -23.430 B 147 GLU B 68 GLU.? B 156 GLU C 69 GLU.? B 194 ASN B 72 ASN~? ULMNm 3 1f80_c05 ACYL CARRIER PROTEIN user 4 3 RMSD = 1.34 A TRANSFORM 0.3326 -0.8562 -0.3955 0.2812 -0.3103 0.9081 -0.9002 -0.4132 0.1375 57.188 54.005 33.563 A 62 LYS D 99 LYS~? B 105 HIS D 92 HIS~? E 35 ASP B 88 ASP~? ULMNm 3 1ec9_c04 GLUCARATE DEHYDRATASE user 2 3 RMSD = 1.34 A TRANSFORM -0.7800 -0.4097 0.4730 0.4658 -0.8849 0.0017 0.4179 0.2216 0.8811 -9.102 -3.488 -21.666 A 205 LYS B 37 LYS~? A 207 LYS B 33 LYS~? A 366 ASP B 102 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 RMSD = 1.35 A TRANSFORM 0.2435 0.0807 0.9665 0.7997 -0.5806 -0.1530 0.5488 0.8102 -0.2060 43.846 40.759 -28.903 A 229 ALA D 57 ALA~? A 257 ALA D 94 ALA~? A 328 ASP D 62 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 7 3 RMSD = 1.35 A TRANSFORM -0.9618 -0.0727 -0.2640 0.1726 0.5877 -0.7905 0.2126 -0.8058 -0.5527 78.399 39.312 46.008 A 229 ALA C 57 ALA~? A 257 ALA C 94 ALA~? A 328 ASP C 62 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.35 A TRANSFORM 0.3446 0.6521 -0.6753 0.4470 0.5186 0.7289 0.8255 -0.5531 -0.1127 26.317 -32.994 36.882 A 316 ALA C 58 ALA~? A 317 GLY C 61 GLY~? A 318 ASP C 62 ASP~? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.35 A TRANSFORM -0.2013 0.8482 -0.4900 -0.0223 -0.5041 -0.8634 -0.9793 -0.1629 0.1204 6.777 49.746 29.282 C 603 HIS C 92 HIS~? C 646 ASP C 86 ASP~? C 739 GLY C 61 GLY~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 1.35 A TRANSFORM -0.9112 -0.4114 -0.0200 0.3009 -0.6980 0.6498 -0.2813 0.5861 0.7598 37.232 60.756 69.391 A 270 ASN A 72 ASN~? A 384 ASN B 72 ASN~? A 385 GLU B 75 GLU~? ULMNm 3 1ec9_c07 GLUCARATE DEHYDRATASE user 2 3 RMSD = 1.35 A TRANSFORM 0.7859 0.2420 -0.5690 -0.3346 -0.6075 -0.7204 -0.5200 0.7566 -0.3964 11.285 17.203 12.794 D 205 LYS B 37 LYS~? D 207 LYS B 33 LYS~? D 366 ASP B 102 ASP~? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 4 3 RMSD = 1.36 A TRANSFORM 0.0327 -0.4616 -0.8865 -0.7889 0.5327 -0.3065 0.6137 0.7094 -0.3467 45.750 -0.237 59.410 D 107 ASP D 88 ASP~? D 246 ASP B 86 ASP~? D 275 HIS D 92 HIS~? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 3 3 RMSD = 1.36 A TRANSFORM -0.5695 0.6790 -0.4633 -0.4573 -0.7301 -0.5078 -0.6831 -0.0773 0.7263 44.111 98.383 28.140 A 107 ASP C 88 ASP~? A 246 ASP A 86 ASP~? A 275 HIS C 92 HIS~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 25 3 RMSD = 1.37 A TRANSFORM 0.1304 0.0753 -0.9886 -0.0980 -0.9912 -0.0884 -0.9866 0.1084 -0.1219 66.982 74.348 93.220 A 50 GLN C 39 GLN~? A 91 LEU C 36 LEU~? A 133 GLU C 68 GLU.? ULMNm 3 2dbt_c02 CHITINASE C user 11 3 RMSD = 1.38 A TRANSFORM 0.2205 -0.9613 -0.1654 -0.9588 -0.2447 0.1442 -0.1791 0.1268 -0.9756 82.893 43.314 29.205 C 147 GLU B 68 GLU.? C 156 GLU C 69 GLU.? C 194 ASN B 72 ASN~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 26 3 RMSD = 1.38 A TRANSFORM 0.0826 -0.7094 -0.6999 -0.0763 -0.7047 0.7054 -0.9937 -0.0049 -0.1123 104.719 34.118 72.399 C1050 GLN C 39 GLN~? C1091 LEU C 36 LEU~? C1133 GLU C 68 GLU.? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.38 A TRANSFORM 0.8673 0.4361 -0.2402 -0.0261 0.5217 0.8528 0.4972 -0.7333 0.4638 -68.303 -54.902 -17.918 B 603 HIS C 92 HIS~? B 646 ASP C 86 ASP~? B 739 GLY C 61 GLY~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 2 3 RMSD = 1.38 A TRANSFORM 0.4196 0.5641 -0.7111 0.1746 -0.8190 -0.5466 -0.8908 0.1052 -0.4421 32.765 93.209 76.870 A 325 ASP A 28 ASP~? A 354 GLU A 74 GLU~? A 421 ASP C 28 ASP~? ULMNm 3 1ec9_c06 GLUCARATE DEHYDRATASE user 1 3 RMSD = 1.38 A TRANSFORM 0.5272 -0.3703 -0.7648 -0.7673 -0.5941 -0.2413 -0.3650 0.7141 -0.5973 63.425 44.202 -22.055 C 205 LYS A 37 LYS~? C 207 LYS A 33 LYS~? C 366 ASP A 102 ASP~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 25 3 RMSD = 1.39 A TRANSFORM -0.0672 0.9956 -0.0659 -0.0159 0.0649 0.9978 0.9976 0.0681 0.0114 66.097 14.069 29.008 B 550 GLN C 39 GLN~? B 591 LEU C 36 LEU~? B 633 GLU C 68 GLU.? ULMNm 3 1ec9_c05 GLUCARATE DEHYDRATASE user 3 3 RMSD = 1.39 A TRANSFORM -0.7611 -0.2751 0.5873 -0.3788 0.9237 -0.0581 -0.5265 -0.2667 -0.8073 -11.117 4.781 20.416 B 205 LYS B 37 LYS~? B 207 LYS B 33 LYS~? B 366 ASP B 102 ASP~? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.39 A TRANSFORM -0.0283 -0.7806 0.6244 0.5905 0.4910 0.6405 -0.8065 0.3869 0.4470 66.171 39.701 59.564 B 107 ASP B 88 ASP~? B 246 ASP D 86 ASP~? B 275 HIS B 92 HIS~? ULMNm 3 1myr_c00 MYROSINASE user 1 3 RMSD = 1.39 A TRANSFORM -0.7299 -0.4766 0.4900 0.6817 -0.5612 0.4695 0.0512 0.6767 0.7345 39.734 114.319 10.152 187 GLN A 71 GLN.? 328 ASN A 72 ASN~? 409 GLU A 75 GLU~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 3 3 RMSD = 1.41 A TRANSFORM 0.7114 -0.5566 -0.4291 0.5262 0.8265 -0.1998 0.4659 -0.0837 0.8809 41.340 17.513 45.400 A 325 ASP B 28 ASP~? A 354 GLU B 74 GLU~? A 421 ASP D 28 ASP~? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.41 A TRANSFORM -0.1856 0.8236 -0.5359 0.0184 -0.5424 -0.8399 -0.9824 -0.1658 0.0856 -44.658 49.050 69.389 D 603 HIS C 92 HIS~? D 646 ASP C 86 ASP~? D 739 GLY C 61 GLY~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.41 A TRANSFORM -0.8930 -0.0762 -0.4435 -0.0157 0.9902 -0.1385 0.4497 -0.1167 -0.8855 62.655 19.859 111.903 A 50 GLN A 39 GLN~? A 91 LEU A 36 LEU~? A 133 GLU A 68 GLU.? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 3 3 RMSD = 1.41 A TRANSFORM -0.4458 0.1393 -0.8842 0.0255 0.9894 0.1430 0.8947 0.0412 -0.4447 36.850 -11.126 51.295 A 197 ASP C 28 ASP~? A 233 GLU C 74 GLU~? A 300 ASN A 72 ASN~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 1 3 RMSD = 1.42 A TRANSFORM 0.9130 -0.2916 -0.2854 0.0917 -0.5350 0.8399 -0.3976 -0.7929 -0.4617 39.466 -4.071 91.841 111 GLN A 39 GLN~? 294 GLU A 75 GLU~? 304 ARG A 42 ARG~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.42 A TRANSFORM 0.3043 0.1003 -0.9473 -0.7510 -0.5864 -0.3034 -0.5859 0.8038 -0.1031 84.880 64.485 -7.141 A 229 ALA A 57 ALA~? A 257 ALA A 94 ALA~? A 328 ASP A 62 ASP~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 7 3 RMSD = 1.42 A TRANSFORM 0.8373 0.5466 0.0098 0.4302 -0.6698 0.6052 0.3374 -0.5025 -0.7960 4.678 3.532 83.245 B 325 ASP C 28 ASP~? B 354 GLU C 74 GLU~? B 421 ASP A 28 ASP~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.42 A TRANSFORM -0.6246 0.7085 -0.3284 0.6294 0.7057 0.3254 0.4624 -0.0034 -0.8867 59.315 0.690 84.918 C1050 GLN A 39 GLN~? C1091 LEU A 36 LEU~? C1133 GLU A 68 GLU.? ULMNm 3 1myr_c00 MYROSINASE user 4 3 RMSD = 1.42 A TRANSFORM 0.3711 -0.4489 -0.8128 -0.8143 -0.5781 -0.0525 -0.4463 0.6814 -0.5801 53.197 153.890 41.787 187 GLN D 71 GLN.? 328 ASN D 72 ASN~? 409 GLU D 75 GLU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.43 A TRANSFORM 0.9631 -0.0833 -0.2560 0.2551 0.5856 0.7694 0.0858 -0.8063 0.5852 49.224 -0.974 28.967 A 229 ALA B 57 ALA~? A 257 ALA B 94 ALA~? A 328 ASP B 62 ASP~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 4 3 RMSD = 1.43 A TRANSFORM -0.5353 -0.0213 0.8444 -0.8093 -0.2733 -0.5199 0.2418 -0.9617 0.1291 32.615 38.955 80.762 111 GLN D 39 GLN~? 294 GLU D 75 GLU~? 304 ARG D 42 ARG~? ULMNm 3 1ec9_c04 GLUCARATE DEHYDRATASE user 1 3 RMSD = 1.43 A TRANSFORM -0.4956 0.3623 0.7893 -0.0340 0.9000 -0.4345 -0.8679 -0.2422 -0.4337 -63.853 -39.160 29.809 A 205 LYS A 37 LYS~? A 207 LYS A 33 LYS~? A 366 ASP A 102 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 1.43 A TRANSFORM -0.3723 0.2195 0.9018 0.3532 -0.8650 0.3564 0.8583 0.4512 0.2445 150.369 50.627 -25.659 A 316 ALA D 58 ALA~? A 317 GLY D 61 GLY~? A 318 ASP D 62 ASP~? ULMNm 3 1qrz_c21 PLASMINOGEN user 3 3 RMSD = 1.43 A TRANSFORM 0.2407 -0.4173 -0.8763 -0.8431 -0.5371 0.0242 -0.4808 0.7331 -0.4811 -37.832 20.248 -32.875 B 603 HIS D 92 HIS~? B 646 ASP D 86 ASP~? B 739 GLY D 61 GLY~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 41 3 RMSD = 1.43 A TRANSFORM 0.4349 -0.9001 -0.0272 0.1455 0.0405 0.9885 -0.8886 -0.4339 0.1486 64.025 56.840 102.679 A 50 GLN D 39 GLN~? A 91 LEU D 60 LEU~? A 133 GLU D 68 GLU.? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.44 A TRANSFORM -0.4502 -0.4886 0.7474 0.5780 0.4786 0.6610 -0.6807 0.7295 0.0669 14.106 -37.073 72.566 D 107 ASP A 88 ASP~? D 246 ASP C 86 ASP~? D 275 HIS A 92 HIS~? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.44 A TRANSFORM -0.6714 -0.4358 0.5994 0.7297 -0.5299 0.4322 0.1293 0.7276 0.6737 -58.153 -18.144 -62.383 B 603 HIS A 92 HIS~? B 646 ASP A 86 ASP~? B 739 GLY A 61 GLY~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.44 A TRANSFORM -0.0199 -0.9962 -0.0854 0.8363 -0.0634 0.5447 -0.5480 -0.0605 0.8343 122.061 24.718 19.276 B 550 GLN A 39 GLN~? B 591 LEU A 36 LEU~? B 633 GLU A 68 GLU.? ULMNm 3 1myr_c00 MYROSINASE user 3 3 RMSD = 1.44 A TRANSFORM 0.8244 0.4295 -0.3687 0.0747 0.5631 0.8230 0.5611 -0.7060 0.4321 28.693 76.004 54.727 187 GLN C 71 GLN.? 328 ASN C 72 ASN~? 409 GLU C 75 GLU~? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 4 3 RMSD = 1.44 A TRANSFORM 0.5252 0.7796 -0.3411 0.8501 -0.4989 0.1687 -0.0386 -0.3786 -0.9248 10.337 75.092 86.883 B 107 ASP D 88 ASP~? B 246 ASP B 86 ASP~? B 275 HIS D 92 HIS~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.45 A TRANSFORM 0.6300 -0.2161 -0.7459 0.4976 0.8498 0.1741 0.5963 -0.4808 0.6429 165.459 -11.592 7.262 A 316 ALA B 58 ALA~? A 317 GLY B 61 GLY~? A 318 ASP B 62 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.45 A TRANSFORM 0.7901 0.2322 -0.5672 -0.1114 -0.8556 -0.5055 -0.6027 0.4626 -0.6502 165.592 70.155 19.915 A 316 ALA A 58 ALA~? A 317 GLY A 61 GLY~? A 318 ASP A 62 ASP~? ULMNm 3 1vzx_c02 2.04.01.0087 user 3 3 RMSD = 1.45 A TRANSFORM -0.3903 -0.3932 -0.8325 0.6319 -0.7721 0.0683 -0.6696 -0.4993 0.5498 49.814 12.952 69.395 A 314 TYR C 63 TYR~? A 317 GLU C 68 GLU.? A 365 ARG C 42 ARG~? ULMNm 3 2dbt_c00 CHITINASE C user 11 3 RMSD = 1.45 A TRANSFORM -0.3453 0.9132 -0.2163 0.8832 0.2382 -0.4041 -0.3175 -0.3306 -0.8888 43.228 7.992 42.688 A 147 GLU B 68 GLU.? A 156 GLU C 69 GLU.? A 194 ASN B 72 ASN~? ULMNm 3 1ec9_c07 GLUCARATE DEHYDRATASE user 1 3 RMSD = 1.45 A TRANSFORM 0.5831 -0.1888 -0.7902 0.6927 0.6237 0.3622 0.4245 -0.7586 0.4944 53.491 -52.403 29.971 D 205 LYS A 37 LYS~? D 207 LYS A 33 LYS~? D 366 ASP A 102 ASP~? ULMNm 3 1f80_c03 ACYL CARRIER PROTEIN user 2 3 RMSD = 1.46 A TRANSFORM -0.5718 -0.8141 0.1014 -0.5379 0.4653 0.7030 -0.6195 0.3474 -0.7039 40.617 3.711 0.957 A 105 HIS B 92 HIS~? C 62 LYS B 99 LYS~? F 35 ASP D 88 ASP~? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 2 3 RMSD = 1.46 A TRANSFORM 0.8691 0.0920 0.4859 -0.0676 0.9954 -0.0676 -0.4899 0.0259 0.8714 -13.780 -12.164 44.815 A 197 ASP B 28 ASP~? A 233 GLU B 74 GLU~? A 300 ASN D 72 ASN~? ULMNm 3 1ec9_c05 GLUCARATE DEHYDRATASE user 1 3 RMSD = 1.46 A TRANSFORM -0.6040 0.2253 0.7645 0.0923 -0.9330 0.3479 0.7916 0.2806 0.5427 -53.996 45.971 -37.737 B 205 LYS A 37 LYS~? B 207 LYS A 33 LYS~? B 366 ASP A 102 ASP~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 2 3 RMSD = 1.47 A TRANSFORM -0.2821 -0.1473 0.9480 0.8242 0.4685 0.3181 -0.4910 0.8711 -0.0107 35.882 -8.314 -14.038 A 261 GLY A 73 GLY~? B 17 GLN A 71 GLN.? B 140 GLU A 75 GLU~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 1.47 A TRANSFORM -0.9088 -0.2333 0.3459 -0.3549 0.8683 -0.3467 -0.2195 -0.4378 -0.8719 163.493 18.742 49.081 A 316 ALA C 58 ALA~? A 317 GLY C 61 GLY~? A 318 ASP C 62 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.47 A TRANSFORM -0.5728 0.8153 -0.0846 -0.7986 -0.5319 0.2818 0.1847 0.2290 0.9557 1.396 13.909 -2.688 A 250 ALA D 58 ALA~? A 251 GLY D 61 GLY~? A 252 ASP D 62 ASP~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 5 3 RMSD = 1.48 A TRANSFORM 0.0891 0.5501 0.8304 0.1519 -0.8314 0.5345 0.9844 0.0785 -0.1576 0.591 75.921 40.604 A 325 ASP D 28 ASP~? A 354 GLU D 74 GLU~? A 421 ASP B 28 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.48 A TRANSFORM 0.6465 0.6854 -0.3350 0.7620 -0.5577 0.3293 0.0389 -0.4682 -0.8828 -18.655 -5.478 -42.070 B 250 ALA D 58 ALA~? B 251 GLY D 61 GLY~? B 252 ASP D 62 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.49 A TRANSFORM -0.3536 -0.7958 -0.4916 -0.0984 0.5543 -0.8265 0.9302 -0.2438 -0.2743 59.755 -25.041 13.421 A 250 ALA B 58 ALA~? A 251 GLY B 61 GLY~? A 252 ASP B 62 ASP~? ULMNm 3 1vzx_c03 2.04.01.0087 user 3 3 RMSD = 1.49 A TRANSFORM 0.3832 0.4019 0.8317 0.5546 -0.8201 0.1408 0.7387 0.4073 -0.5371 -34.758 17.345 -20.835 B1314 TYR C 63 TYR~? B1317 GLU C 68 GLU.? B1365 ARG C 42 ARG~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.49 A TRANSFORM 0.4410 0.8088 0.3890 0.8287 -0.5334 0.1696 0.3447 0.2476 -0.9055 -18.703 -13.074 36.778 A 250 ALA A 58 ALA~? A 251 GLY A 61 GLY~? A 252 ASP A 62 ASP~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 1.49 A TRANSFORM 0.6340 -0.6674 0.3908 -0.2996 0.2540 0.9196 -0.7130 -0.7001 -0.0389 43.914 37.482 -17.179 D 465 GLY B 61 GLY~? D 501 ASP C 24 ASP~? E 367 TYR D 63 TYR~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 4 3 RMSD = 1.49 A TRANSFORM -0.9468 0.1750 0.2703 -0.3189 -0.3937 -0.8622 -0.0445 -0.9024 0.4285 67.006 49.496 35.127 A 261 GLY B 73 GLY~? B 17 GLN B 71 GLN.? B 140 GLU B 75 GLU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 7 3 RMSD = 1.50 A TRANSFORM -0.9935 -0.0316 -0.1089 -0.1108 0.0646 0.9917 -0.0243 0.9974 -0.0677 48.122 11.681 50.265 A 50 GLN A 79 GLN~? A 91 LEU A 78 LEU~? A 133 GLU A 68 GLU.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.50 A TRANSFORM 0.7113 -0.5742 -0.4053 -0.1955 0.3923 -0.8988 0.6751 0.7186 0.1668 33.147 21.202 -52.028 A 465 GLY B 61 GLY~? A 501 ASP C 24 ASP~? B 367 TYR D 35 TYR~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.50 A TRANSFORM -0.0218 -0.7026 0.7113 0.6515 0.5297 0.5431 -0.7583 0.4753 0.4462 31.285 -45.285 -75.295 B 250 ALA B 58 ALA~? B 251 GLY B 61 GLY~? B 252 ASP B 62 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.50 A TRANSFORM -0.7276 0.6847 -0.0412 -0.4740 -0.5453 -0.6914 -0.4959 -0.4836 0.7213 1.564 31.838 -71.871 B 250 ALA A 58 ALA~? B 251 GLY A 61 GLY~? B 252 ASP A 62 ASP~?