*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 0.88 A TRANSFORM -0.3358 -0.8715 -0.3572 0.6658 0.0486 -0.7446 0.6663 -0.4879 0.5639 56.546 16.334 9.573 A 316 ALA X 333 ALA.? A 317 GLY X 330 GLY.? A 318 ASP X 331 ASP.? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 3 3 RMSD = 0.91 A TRANSFORM 0.4374 0.5522 0.7098 -0.2023 0.8295 -0.5206 -0.8762 0.0841 0.4746 -34.496 45.256 60.974 A 325 ASP X 147 ASP.? A 354 GLU X 195 GLU^? A 421 ASP X 63 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 0.92 A TRANSFORM -0.4158 0.9009 0.1246 -0.7131 -0.2379 -0.6595 -0.5645 -0.3630 0.7413 147.007 61.475 2.657 A 316 ALA X 333 ALA.? A 317 GLY X 330 GLY.? A 318 ASP X 331 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 0.92 A TRANSFORM 0.0757 -0.5254 0.8475 -0.8444 -0.4858 -0.2257 0.5303 -0.6986 -0.4804 -0.663 17.892 -49.029 B 250 ALA X 333 ALA.? B 251 GLY X 330 GLY.? B 252 ASP X 331 ASP.? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 3 3 RMSD = 0.93 A TRANSFORM -0.4911 -0.5348 -0.6876 0.5934 -0.7833 0.1854 -0.6378 -0.3169 0.7020 91.256 16.266 49.965 B 325 ASP X 147 ASP.? B 354 GLU X 195 GLU^? B 421 ASP X 63 ASP^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 0.94 A TRANSFORM 0.6164 0.5657 0.5477 0.0870 0.6424 -0.7614 -0.7826 0.5170 0.3467 -13.832 -8.312 10.779 A 250 ALA X 333 ALA.? A 251 GLY X 330 GLY.? A 252 ASP X 331 ASP.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.99 A TRANSFORM -0.7791 -0.5842 0.2275 -0.4861 0.7921 0.3693 -0.3959 0.1772 -0.9010 66.838 -100.804 -92.025 A 183 GLY X 87 GLY^? B 419 GLY X 64 GLY^? B 420 ALA X 65 ALA^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 2 3 RMSD = 0.99 A TRANSFORM -0.4561 0.8804 -0.1297 0.8849 0.4331 -0.1714 -0.0947 -0.1930 -0.9766 16.825 -32.773 43.119 A 271 PRO X 213 PRO.? A 272 LEU X 214 LEU.? A 276 ARG X 338 ARG~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 3 3 RMSD = 1.03 A TRANSFORM -0.5284 0.4487 0.7208 -0.8347 -0.1194 -0.5376 -0.1551 -0.8857 0.4376 60.315 106.361 163.646 A 50 ASP X 51 ASP.? A 327 GLU X 307 GLU~? A 339 ARG X 303 ARG~? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 2 3 RMSD = 1.03 A TRANSFORM -0.6715 -0.1207 0.7311 -0.2923 0.9498 -0.1117 -0.6809 -0.2887 -0.6731 32.065 -1.678 49.469 A 78 GLN X 314 GLN^? A 79 PHE X 360 PHE^? A 80 THR X 359 THR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.03 A TRANSFORM -0.1256 0.8856 0.4471 -0.3608 -0.4606 0.8110 0.9241 -0.0595 0.3774 -43.771 -3.535 -36.247 141 ASP X 147 ASP.? 166 GLY X 205 GLY~? 169 GLU X 325 GLU^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.06 A TRANSFORM -0.4095 0.2250 0.8841 0.7393 -0.4861 0.4661 0.5346 0.8445 0.0327 30.812 -134.561 -166.187 A 420 ALA X 333 ALA.? B 182 GLY X 313 GLY^? B 183 GLY X 230 GLY^? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 1 3 RMSD = 1.06 A TRANSFORM 0.6454 0.5752 0.5026 0.3088 0.4053 -0.8605 -0.6986 0.7106 0.0839 -74.660 32.733 23.880 A 53 SER X 24 SER.? A 54 PRO X 25 PRO.? A 96 ASP X 51 ASP.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.07 A TRANSFORM -0.3229 0.8640 0.3863 -0.9455 -0.2767 -0.1715 -0.0413 -0.4207 0.9063 -0.991 45.824 1.329 B 46 HIS X 15 HIS.? B 163 ALA X 350 ALA^? B 182 SER X 355 SER.? ULMNm 3 5cpa_c01 CARBOXYPEPTIDASE A=ALPHA= (COX) (E.Cuser 2 3 RMSD = 1.09 A TRANSFORM 0.3634 -0.9316 -0.0043 0.9199 0.3596 -0.1566 0.1474 0.0530 0.9876 20.216 -21.400 -43.872 71 ARG X 42 ARG^? 127 ARG X 34 ARG^? 270 GLU X 105 GLU^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 8 3 RMSD = 1.10 A TRANSFORM -0.8550 -0.5124 -0.0805 -0.1003 0.0112 0.9949 -0.5089 0.8587 -0.0610 165.574 -0.934 7.939 B 137 GLY X 457 GLY~? B 175 ARG X 461 ARG.? B 242 TYR X 463 TYR^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.11 A TRANSFORM -0.2791 0.4442 0.8513 -0.5670 0.6393 -0.5195 -0.7750 -0.6277 0.0734 -12.940 28.121 88.293 A 316 ALA X 65 ALA^? A 317 GLY X 64 GLY^? A 318 ASP X 63 ASP^? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 4 3 RMSD = 1.11 A TRANSFORM -0.4701 -0.0216 0.8824 0.8800 0.0660 0.4704 -0.0684 0.9976 -0.0120 28.602 -53.491 -48.553 B 46 HIS X 94 HIS^? B 163 ALA X 102 ALA^? B 182 SER X 96 SER^? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 4 3 RMSD = 1.14 A TRANSFORM -0.6450 -0.1752 0.7438 0.2357 -0.9715 -0.0244 0.7269 0.1595 0.6679 26.815 67.890 -66.039 A 55 ASP X 404 ASP.? A 58 ASP X 402 ASP.? A 424 GLU X 160 GLU^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.14 A TRANSFORM -0.1921 -0.8380 0.5107 0.3723 0.4193 0.8280 -0.9080 0.3492 0.2314 41.647 -79.015 -46.236 B 250 ALA X 65 ALA^? B 251 GLY X 64 GLY^? B 252 ASP X 63 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.15 A TRANSFORM 0.8595 -0.0363 -0.5098 0.3254 0.8080 0.4911 0.3941 -0.5880 0.7063 138.951 -42.885 -12.609 A 316 ALA X 65 ALA^? A 317 GLY X 64 GLY^? A 318 ASP X 63 ASP^? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.16 A TRANSFORM -0.9089 0.0685 0.4113 0.3772 -0.2849 0.8812 0.1775 0.9561 0.2331 26.532 -31.631 -58.846 C 603 HIS X 94 HIS^? C 646 ASP X 51 ASP.? C 739 GLY X 91 GLY^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.17 A TRANSFORM -0.0785 -0.6836 -0.7257 0.1280 0.7150 -0.6873 0.9887 -0.1468 0.0314 83.292 -28.486 -25.963 A 250 ALA X 65 ALA^? A 251 GLY X 64 GLY^? A 252 ASP X 63 ASP^? ULMNm 3 1b01_d00 GENE REGULATION/DNA user 3 3 RMSD = 1.17 A TRANSFORM -0.5572 -0.8292 -0.0436 0.8296 -0.5582 0.0144 -0.0363 -0.0281 0.9989 91.806 -3.008 46.635 B 4 ARG X 175 ARG~? B 6 THR X 171 THR~? B 8 THR X 116 THR~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.17 A TRANSFORM 0.5259 0.3464 -0.7768 -0.5936 -0.5047 -0.6268 -0.6091 0.7908 -0.0598 77.846 39.150 -26.372 B 37 ASP X 202 ASP~? B 56 ILE X 182 ILE.? B 82 TYR X 156 TYR.? ULMNm 3 1vom_c00 MYOSIN user 2 3 RMSD = 1.19 A TRANSFORM -0.6493 0.4631 0.6033 -0.3250 0.5483 -0.7706 -0.6876 -0.6964 -0.2055 20.312 88.774 49.668 233 ASN X 410 ASN^? 457 GLY X 447 GLY.? 459 GLU X 449 GLU^? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.19 A TRANSFORM -0.4647 -0.8773 -0.1196 -0.3967 0.3270 -0.8577 0.7916 -0.3512 -0.5000 24.096 23.212 -5.789 B 603 HIS X 94 HIS^? B 646 ASP X 51 ASP.? B 739 GLY X 91 GLY^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 RMSD = 1.19 A TRANSFORM 0.5231 0.3419 -0.7807 -0.6152 -0.4825 -0.6235 -0.5899 0.8064 -0.0421 75.335 55.581 -0.493 A 37 ASP X 202 ASP~? A 56 ILE X 182 ILE.? A 82 TYR X 156 TYR.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.20 A TRANSFORM -0.3349 0.9247 0.1809 0.8688 0.2288 0.4391 0.3647 0.3043 -0.8800 -27.320 -36.191 18.152 141 ASP X 189 ASP^? 166 GLY X 323 GLY.? 169 GLU X 325 GLU^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.20 A TRANSFORM 0.8507 -0.3470 -0.3949 -0.1639 -0.8888 0.4280 -0.4995 -0.2993 -0.8130 0.699 13.860 45.859 14 ASP X 189 ASP^? 16 HIS X 86 HIS^? 67 GLY X 345 GLY^? ULMNm 3 1b6t_c00 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 2 3 RMSD = 1.21 A TRANSFORM 0.8005 0.2566 -0.5417 -0.5454 0.6867 -0.4806 0.2486 0.6801 0.6896 -10.197 44.601 -17.081 A 18 HIS X 94 HIS^? A 91 ARG X 103 ARG^? A 129 SER X 97 SER^? ULMNm 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 4 3 RMSD = 1.23 A TRANSFORM 0.1815 -0.9820 -0.0524 -0.6325 -0.0758 -0.7709 0.7530 0.1730 -0.6348 26.263 68.751 2.237 A 21 GLN X 308 GLN.? A 41 TYR X 304 TYR~? A 43 ASN X 306 ASN~? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.23 A TRANSFORM -0.4320 -0.8981 -0.0828 -0.3775 0.2634 -0.8878 0.8191 -0.3523 -0.4528 50.560 26.777 30.160 A 603 HIS X 94 HIS^? A 646 ASP X 51 ASP.? A 739 GLY X 91 GLY^? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 1.23 A TRANSFORM -0.8922 0.0392 0.4499 0.4159 -0.3168 0.8525 0.1760 0.9477 0.2663 -27.632 -30.467 -20.960 D 603 HIS X 94 HIS^? D 646 ASP X 51 ASP.? D 739 GLY X 91 GLY^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.24 A TRANSFORM -0.7441 -0.5897 0.3141 -0.4730 0.1330 -0.8709 0.4718 -0.7966 -0.3779 10.461 117.561 113.565 B 34 SER X 424 SER^? B 37 ASN X 410 ASN^? B 45 THR X 384 THR.? ULMNm 3 1id3_d00 STRUCTURAL PROTEIN/DNA user 1 3 RMSD = 1.25 A TRANSFORM 0.6259 0.6191 0.4742 0.6248 -0.0342 -0.7800 -0.4667 0.7846 -0.4082 -24.424 -8.691 -50.164 E 40 ARG X 300 ARG~? E 41 TYR X 296 TYR~? E 83 ARG X 352 ARG.? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 3 3 RMSD = 1.25 A TRANSFORM -0.8574 -0.1431 0.4944 0.3717 -0.8366 0.4024 0.3560 0.5288 0.7705 24.279 93.028 -44.904 A 137 ARG X 119 ARG.? A 141 THR X 116 THR~? A 235 ASP X 416 ASP.? ULMNm 3 1kim_c00 THYMIDINE KINASE user 4 3 RMSD = 1.25 A TRANSFORM -0.5972 -0.7875 0.1523 0.6239 -0.3368 0.7052 -0.5040 0.5161 0.6925 77.051 28.062 25.935 A 83 GLU X 302 GLU~? A 163 ARG X 372 ARG.? A 222 ARG X 298 ARG~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.27 A TRANSFORM -0.9200 0.2235 -0.3220 -0.0008 -0.8226 -0.5686 -0.3920 -0.5229 0.7569 182.927 158.881 103.709 B1198 GLY X 447 GLY.? B1228 SER X 391 SER.? B1549 ASP X 396 ASP.? ULMNm 3 1lci_c00 LUCIFERASE user 1 3 RMSD = 1.28 A TRANSFORM -0.3600 -0.6727 0.6464 -0.8742 0.0013 -0.4855 0.3258 -0.7399 -0.5886 29.353 125.562 74.598 218 ARG X 83 ARG^? 245 HIS X 15 HIS.? 343 THR X 69 THR.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.28 A TRANSFORM -0.5845 -0.0201 -0.8111 -0.3552 -0.8925 0.2781 -0.7295 0.4507 0.5145 102.813 66.734 -8.718 199 ASP X 147 ASP.? 242 GLU X 167 GLU.? 329 ASP X 189 ASP^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 6 3 RMSD = 1.29 A TRANSFORM -0.0979 0.9952 0.0079 0.8381 0.0867 -0.5386 -0.5367 -0.0461 -0.8425 6.959 35.644 -0.415 D 465 GLY X 230 GLY^? D 501 ASP X 353 ASP.? E 367 TYR X 200 TYR^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.29 A TRANSFORM -0.6314 0.7392 0.2341 -0.6159 -0.2946 -0.7307 -0.4712 -0.6056 0.6413 17.000 92.534 49.173 A 198 GLY X 447 GLY.? A 228 SER X 391 SER.? A 549 ASP X 396 ASP.? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 6 3 RMSD = 1.29 A TRANSFORM -0.3405 0.7481 -0.5695 -0.7078 0.1948 0.6790 0.6189 0.6344 0.4632 150.841 27.213 -59.066 B 55 ASP X 404 ASP.? B 58 ASP X 402 ASP.? B 424 GLU X 160 GLU^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 7 3 RMSD = 1.29 A TRANSFORM -0.7393 0.5534 0.3838 -0.4398 -0.8283 0.3471 0.5100 0.0878 0.8557 16.546 51.645 -65.637 A 465 GLY X 230 GLY^? A 501 ASP X 353 ASP.? B 367 TYR X 200 TYR^? ULMNm 3 1b6t_c01 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 3 3 RMSD = 1.30 A TRANSFORM -0.3627 -0.6714 -0.6463 0.5542 -0.7130 0.4296 -0.7492 -0.2024 0.6307 88.103 21.756 67.732 B 18 HIS X 94 HIS^? B 91 ARG X 103 ARG^? B 129 SER X 97 SER^? ULMNm 3 2p3i_p00 VP4 user 4 3 RMSD = 1.30 A TRANSFORM -0.9455 -0.2982 0.1306 0.1910 -0.1831 0.9644 -0.2636 0.9368 0.2300 86.010 -11.258 -11.167 A 101 ARG X 354 ARG.? A 188 TYR X 356 TYR.? A 190 SER X 355 SER.? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.31 A TRANSFORM 0.8525 0.1335 -0.5053 -0.3643 0.8451 -0.3913 0.3748 0.5176 0.7691 -22.977 66.806 -45.016 C 137 ARG X 119 ARG.? C 141 THR X 116 THR~? C 235 ASP X 416 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.31 A TRANSFORM -0.2452 -0.0808 0.9661 0.0269 0.9956 0.0900 -0.9691 0.0480 -0.2419 -30.208 -40.661 49.140 141 ASP X 169 ASP~? 166 GLY X 91 GLY^? 169 GLU X 105 GLU^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.32 A TRANSFORM -0.5090 0.7760 0.3725 0.5260 0.6229 -0.5790 -0.6814 -0.0988 -0.7252 31.533 -30.746 60.413 A 67 ASP X 353 ASP.? A 68 ALA X 351 ALA^? A 72 LEU X 29 LEU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.33 A TRANSFORM -0.3563 0.9098 0.2127 -0.0873 -0.2591 0.9619 0.9303 0.3242 0.1718 -27.634 -20.562 -35.352 141 ASP X 189 ASP^? 166 GLY X 205 GLY~? 169 GLU X 325 GLU^? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 3 3 RMSD = 1.33 A TRANSFORM -0.3068 -0.0902 -0.9475 -0.1202 -0.9839 0.1326 -0.9442 0.1545 0.2910 111.621 41.969 22.635 A 49 GLU X 155 GLU.? A 60 ASP X 202 ASP~? A 175 TYR X 156 TYR.? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 14 3 RMSD = 1.34 A TRANSFORM -0.0303 -0.5237 -0.8513 -0.9732 -0.1787 0.1445 -0.2278 0.8329 -0.5043 13.440 83.989 85.585 B 130 SER X 355 SER.? B 166 PHE X 31 PHE^? B 182 PHE X 66 PHE^? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 13 3 RMSD = 1.35 A TRANSFORM 0.1651 -0.1376 0.9766 0.9741 0.1782 -0.1395 -0.1548 0.9743 0.1635 -49.835 17.465 15.354 D 130 SER X 355 SER.? D 166 PHE X 31 PHE^? D 182 PHE X 66 PHE^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.35 A TRANSFORM -0.9474 0.3055 -0.0953 -0.3179 -0.9327 0.1701 -0.0369 0.1914 0.9808 44.322 140.259 -37.883 193 ASP X 147 ASP.? 231 ASP X 44 ASP^? 294 ASP X 189 ASP^? ULMNm 3 1euu_c00 SIALIDASE user 1 3 RMSD = 1.36 A TRANSFORM 0.7964 -0.6007 -0.0695 -0.5428 -0.7608 0.3557 -0.2665 -0.2456 -0.9320 7.025 13.791 99.016 92 ASP X 169 ASP~? 260 GLU X 139 GLU~? 370 TYR X 422 TYR.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.36 A TRANSFORM 0.5767 -0.7566 -0.3082 -0.3249 -0.5586 0.7631 -0.7495 -0.3400 -0.5680 48.322 43.765 90.110 B 194 SER X 292 SER.? B 292 ASP X 404 ASP.? B 322 HIS X 301 HIS~? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 2 3 RMSD = 1.36 A TRANSFORM -0.1026 -0.6106 -0.7853 0.1132 0.7772 -0.6190 0.9883 -0.1524 -0.0106 86.542 62.084 12.962 A 311 GLU X 456 GLU~? A 475 GLU X 455 GLU.? A 477 ARG X 461 ARG.? ULMNm 3 1smn_c01 EXTRACELLULAR ENDONUCLEASE user 1 3 RMSD = 1.36 A TRANSFORM 0.4294 -0.1975 -0.8812 -0.1735 0.9396 -0.2951 0.8863 0.2796 0.3692 4.380 32.007 -25.431 B 87 ARG X 298 ARG~? B 89 HIS X 301 HIS~? B 119 ASN X 306 ASN~? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 1 3 RMSD = 1.37 A TRANSFORM 0.2141 -0.8786 0.4270 0.0637 -0.4236 -0.9036 0.9747 0.2206 -0.0348 1.491 100.101 3.972 D 130 SER X 24 SER.? D 166 PHE X 47 PHE^? D 182 PHE X 92 PHE^? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 1 3 RMSD = 1.37 A TRANSFORM -0.1766 0.9801 0.0910 -0.0623 0.0812 -0.9948 -0.9823 -0.1813 0.0467 -55.756 85.568 91.595 C 130 SER X 24 SER.? C 166 PHE X 47 PHE^? C 182 PHE X 92 PHE^? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 1 3 RMSD = 1.37 A TRANSFORM -0.7923 0.5301 -0.3021 -0.0626 0.4219 0.9045 0.6069 0.7355 -0.3011 -18.688 1.510 43.638 B 130 SER X 24 SER.? B 166 PHE X 47 PHE^? B 182 PHE X 92 PHE^? ULMNm 3 1qz9_c02 KYNURENINASE user 3 3 RMSD = 1.38 A TRANSFORM 0.0854 -0.4917 -0.8666 -0.6137 -0.7112 0.3430 -0.7849 0.5025 -0.3625 87.692 80.091 65.858 A 129 PHE X 172 PHE~? A 201 ASP X 169 ASP~? A 227 LYS X 419 LYS.? ULMNm 3 2dbt_c00 CHITINASE C user 2 3 RMSD = 1.38 A TRANSFORM 0.0224 -0.7769 -0.6292 0.9988 -0.0103 0.0483 -0.0441 -0.6295 0.7757 129.110 -26.464 -17.374 A 147 GLU X 179 GLU~? A 156 GLU X 167 GLU.? A 194 ASN X 458 ASN~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 1 3 RMSD = 1.39 A TRANSFORM 0.7723 -0.6264 -0.1058 0.0696 -0.0820 0.9942 -0.6314 -0.7752 -0.0197 -31.641 15.746 147.499 A 130 SER X 24 SER.? A 166 PHE X 47 PHE^? A 182 PHE X 92 PHE^? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.40 A TRANSFORM 0.5229 0.7473 0.4102 -0.1968 -0.3624 0.9110 0.8294 -0.5570 -0.0424 -76.682 -2.283 72.500 B 156 HIS X 94 HIS^? B 208 ASP X 100 ASP.? B 296 SER X 355 SER.? ULMNm 3 1smn_c00 EXTRACELLULAR ENDONUCLEASE user 1 3 RMSD = 1.40 A TRANSFORM -0.4193 0.1864 0.8885 -0.1741 0.9440 -0.2802 -0.8910 -0.2722 -0.3634 -6.551 31.418 128.633 A 87 ARG X 298 ARG~? A 89 HIS X 301 HIS~? A 119 ASN X 306 ASN~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 1 3 RMSD = 1.41 A TRANSFORM -0.9240 0.3765 -0.0664 -0.3760 -0.8632 0.3369 0.0695 0.3363 0.9392 82.678 98.737 -17.369 A 83 GLU X 179 GLU~? A 163 ARG X 378 ARG.? A 222 ARG X 159 ARG^? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 7 3 RMSD = 1.41 A TRANSFORM 0.2814 0.4991 0.8196 -0.8677 -0.2324 0.4395 0.4098 -0.8348 0.3677 -0.854 34.668 -0.866 A 49 GLU X 367 GLU.? A 60 ASP X 202 ASP~? A 175 TYR X 365 TYR.? ULMNm 3 1qrz_c20 PLASMINOGEN user 3 3 RMSD = 1.42 A TRANSFORM 0.8279 0.3050 -0.4708 0.4539 0.1288 0.8817 0.3295 -0.9436 -0.0318 -23.026 -89.994 63.726 A 603 HIS X 400 HIS.? A 646 ASP X 396 ASP.? A 739 GLY X 421 GLY.? ULMNm 3 2c7v_c11 PTERIDINE REDUCTASE user 1 3 RMSD = 1.42 A TRANSFORM -0.7191 -0.6359 -0.2803 -0.4880 0.7492 -0.4479 0.4948 -0.1853 -0.8490 29.086 16.263 55.513 D 14 ARG X 303 ARG~? D 161 ASP X 201 ASP.? D 174 TYR X 156 TYR.? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 1 3 RMSD = 1.43 A TRANSFORM 0.1762 -0.8984 0.4023 -0.7081 -0.3996 -0.5822 0.6838 -0.1823 -0.7066 27.211 92.014 36.347 B 170 SER X 424 SER^? B 239 VAL X 409 VAL^? B 413 ASN X 410 ASN^? ULMNm 3 2c7v_c10 PTERIDINE REDUCTASE user 1 3 RMSD = 1.43 A TRANSFORM 0.2547 0.5814 0.7727 0.5544 -0.7425 0.3760 0.7923 0.3326 -0.5115 -60.391 -7.917 24.412 C 14 ARG X 303 ARG~? C 161 ASP X 201 ASP.? C 174 TYR X 156 TYR.? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.43 A TRANSFORM 0.8445 0.3261 -0.4248 0.3931 0.1612 0.9052 0.3637 -0.9315 0.0079 -55.842 -91.192 20.557 B 603 HIS X 400 HIS.? B 646 ASP X 396 ASP.? B 739 GLY X 421 GLY.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 6 3 RMSD = 1.44 A TRANSFORM 0.3986 0.1973 0.8957 0.1914 -0.9730 0.1291 0.8969 0.1200 -0.4256 -37.964 34.055 -34.270 A 465 GLY X 209 GLY^? A 501 ASP X 189 ASP^? B 367 TYR X 304 TYR~? ULMNm 3 1qrz_c23 PLASMINOGEN user 3 3 RMSD = 1.44 A TRANSFORM -0.0758 0.9836 -0.1634 -0.4032 -0.1801 -0.8972 -0.9120 -0.0021 0.4103 -76.432 85.666 44.575 D 603 HIS X 400 HIS.? D 646 ASP X 396 ASP.? D 739 GLY X 421 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.44 A TRANSFORM 0.5288 -0.4145 -0.7406 0.4104 0.8887 -0.2044 0.7429 -0.1959 0.6401 29.709 3.870 1.603 A 316 ALA X 333 ALA.? A 317 GLY X 330 GLY.? A 318 ASP X 332 ASP.? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 1 3 RMSD = 1.44 A TRANSFORM -0.1675 0.8972 -0.4087 -0.6921 -0.4022 -0.5994 -0.7021 0.1825 0.6883 78.389 127.107 20.800 A 170 SER X 424 SER^? A 239 VAL X 409 VAL^? A 413 ASN X 410 ASN^? ULMNm 3 1kim_c00 THYMIDINE KINASE user 3 3 RMSD = 1.45 A TRANSFORM 0.5732 0.8154 -0.0815 -0.2866 0.1063 -0.9521 -0.7677 0.5691 0.2947 22.625 137.601 54.654 A 83 GLU X 302 GLU~? A 163 ARG X 298 ARG~? A 222 ARG X 372 ARG.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 1.45 A TRANSFORM 0.1404 0.8862 0.4416 -0.4534 0.4540 -0.7670 -0.8802 -0.0926 0.4655 -12.094 88.282 -34.029 D 465 GLY X 209 GLY^? D 501 ASP X 189 ASP^? E 367 TYR X 304 TYR~? ULMNm 3 1qrz_c22 PLASMINOGEN user 3 3 RMSD = 1.45 A TRANSFORM -0.0668 0.9914 -0.1127 -0.4336 -0.1306 -0.8916 -0.8986 -0.0107 0.4386 -27.082 83.926 3.954 C 603 HIS X 400 HIS.? C 646 ASP X 396 ASP.? C 739 GLY X 421 GLY.? ULMNm 3 2dbt_c02 CHITINASE C user 2 3 RMSD = 1.45 A TRANSFORM -0.0065 0.4672 0.8841 -0.9716 -0.2120 0.1049 0.2365 -0.8583 0.4553 -20.749 67.629 0.189 C 147 GLU X 179 GLU~? C 156 GLU X 167 GLU.? C 194 ASN X 458 ASN~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.46 A TRANSFORM -0.5894 -0.7098 -0.3856 0.4747 0.0819 -0.8763 0.6536 -0.6996 0.2887 93.304 70.044 11.551 A 194 SER X 292 SER.? A 292 ASP X 404 ASP.? A 322 HIS X 301 HIS~? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 2 3 RMSD = 1.46 A TRANSFORM 0.0591 0.6239 0.7793 0.9674 0.1566 -0.1988 -0.2461 0.7657 -0.5943 -28.360 -11.146 117.936 B 311 GLU X 456 GLU~? B 475 GLU X 455 GLU.? B 477 ARG X 461 ARG.? ULMNm 3 2c7v_c08 PTERIDINE REDUCTASE user 1 3 RMSD = 1.47 A TRANSFORM 0.7021 0.6526 0.2848 -0.5514 0.7514 -0.3623 -0.4505 0.0973 0.8875 -45.144 13.045 -19.291 A 14 ARG X 303 ARG~? A 161 ASP X 201 ASP.? A 174 TYR X 156 TYR.? ULMNm 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 RMSD = 1.48 A TRANSFORM -0.7937 -0.6065 -0.0471 0.0711 -0.0157 -0.9973 0.6042 -0.7949 0.0556 50.809 155.722 7.498 E 24 ASP X 169 ASP~? E 146 TYR X 124 TYR^? E 177 LYS X 419 LYS.? ULMNm 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 RMSD = 1.48 A TRANSFORM 0.8883 0.4493 -0.0952 0.4566 -0.8414 0.2890 0.0497 -0.3002 -0.9526 -102.360 83.334 87.422 I 24 ASP X 169 ASP~? I 146 TYR X 124 TYR^? I 177 LYS X 419 LYS.? ULMNm 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 RMSD = 1.49 A TRANSFORM -0.6424 -0.7608 0.0918 0.7141 -0.6378 -0.2886 0.2781 -0.1198 0.9530 37.633 90.926 -43.046 D 24 ASP X 169 ASP~? D 146 TYR X 124 TYR^? D 177 LYS X 419 LYS.? ULMNm 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 RMSD = 1.49 A TRANSFORM -0.6565 -0.6804 0.3255 0.5960 -0.2036 0.7767 -0.4623 0.7040 0.5392 22.549 23.879 4.668 C 24 ASP X 169 ASP~? C 146 TYR X 124 TYR^? C 177 LYS X 419 LYS.? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 2 3 RMSD = 1.49 A TRANSFORM -0.4372 0.8636 0.2511 0.0686 -0.2464 0.9668 0.8967 0.4399 0.0485 -10.772 -20.886 -46.603 A 14 GLU X 302 GLU~? A 61 GLU X 307 GLU~? A 162 HIS X 301 HIS~? ULMNm 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 RMSD = 1.49 A TRANSFORM 0.7850 0.6180 0.0424 0.0017 -0.0707 0.9975 0.6195 -0.7830 -0.0566 -108.514 49.272 12.443 J 24 ASP X 169 ASP~? J 146 TYR X 124 TYR^? J 177 LYS X 419 LYS.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.49 A TRANSFORM 0.1449 -0.9716 0.1871 -0.0832 0.1765 0.9808 -0.9859 -0.1577 -0.0552 38.139 -12.853 113.485 A 241 ASP X 147 ASP.? A 265 GLU X 35 GLU^? A 369 ASP X 189 ASP^? ULMNm 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 RMSD = 1.49 A TRANSFORM -0.8904 -0.4422 0.1079 -0.4482 0.8103 -0.3774 0.0795 -0.3844 -0.9197 43.341 129.119 86.123 A 24 ASP X 169 ASP~? A 146 TYR X 124 TYR^? A 177 LYS X 419 LYS.? ULMNm 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 RMSD = 1.49 A TRANSFORM 0.6606 0.6744 -0.3298 -0.6386 0.2739 -0.7191 -0.3946 0.6857 0.6116 -80.656 180.288 -3.707 G 24 ASP X 169 ASP~? G 146 TYR X 124 TYR^? G 177 LYS X 419 LYS.? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 5 3 RMSD = 1.50 A TRANSFORM 0.5504 -0.2113 0.8077 0.6945 0.6529 -0.3024 -0.4634 0.7274 0.5061 -45.025 -22.174 1.178 111 GLN X 120 GLN.? 294 GLU X 423 GLU.? 304 ARG X 140 ARG.? ULMNm 3 1lci_c00 LUCIFERASE user 2 3 RMSD = 1.50 A TRANSFORM -0.7672 -0.3471 0.5394 0.4902 -0.8597 0.1439 0.4137 0.3748 0.8297 19.943 105.139 -10.397 218 ARG X 191 ARG.? 245 HIS X 86 HIS^? 343 THR X 188 THR^? ULMNm 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 RMSD = 1.50 A TRANSFORM 0.6505 0.7528 -0.1008 -0.6759 0.6344 0.3751 0.3463 -0.1759 0.9215 -95.316 108.701 -44.550 F 24 ASP X 169 ASP~? F 146 TYR X 124 TYR^? F 177 LYS X 419 LYS.? ULMNm 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 RMSD = 1.50 A TRANSFORM 0.8102 0.4862 -0.3275 0.0630 -0.6276 -0.7759 -0.5828 0.6080 -0.5391 -85.053 164.385 77.631 H 24 ASP X 169 ASP~? H 146 TYR X 124 TYR^? H 177 LYS X 419 LYS.? ULMNm 3 2c7v_c09 PTERIDINE REDUCTASE user 1 3 RMSD = 1.50 A TRANSFORM -0.2450 -0.5980 -0.7631 0.4860 -0.7569 0.4370 -0.8389 -0.2638 0.4760 44.430 -9.627 13.298 B 14 ARG X 303 ARG~? B 161 ASP X 201 ASP.? B 174 TYR X 156 TYR.?