*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 0.80 A TRANSFORM -0.5417 0.6422 0.5424 0.3765 0.7623 -0.5265 0.7516 0.0810 0.6547 -24.622 37.617 83.185 A 270 ASN A 104 ASN^? A 384 ASN A 58 ASN^? A 385 GLU A 61 GLU^? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.10 A TRANSFORM 0.4235 0.7937 0.4367 -0.0357 0.4963 -0.8674 0.9052 -0.3517 -0.2385 -38.611 72.546 156.018 B 109 ASP A 105 ASP^? B 182 GLU A 110 GLU^? B 286 ASN A 69 ASN^? ULMNm 3 2phk_c02 MC-PEPTIDE user 4 3 RMSD = 1.12 A TRANSFORM -0.0869 -0.8233 0.5610 -0.9916 0.0172 -0.1284 -0.0961 0.5674 0.8178 82.695 8.975 -4.762 A 149 ASP B 7 ASP^? A 151 LYS B 90 LYS^? A 186 THR B 88 THR^? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 3 3 RMSD = 1.13 A TRANSFORM 0.9941 -0.0821 -0.0704 -0.0180 -0.7680 0.6402 0.1066 0.6351 0.7650 5.856 90.511 62.369 A 270 ASN B 104 ASN^? A 384 ASN B 58 ASN^? A 385 GLU B 61 GLU^? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 6 3 RMSD = 1.14 A TRANSFORM -0.2721 -0.9225 0.2737 -0.6628 -0.0266 -0.7484 -0.6976 0.3850 0.6042 20.989 15.758 3.098 C 124 ALA A 120 ALA^? C 126 ARG A 127 ARG^? C 138 GLU A 116 GLU^? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.18 A TRANSFORM 0.1732 0.8852 -0.4317 0.3447 0.3561 0.8685 -0.9226 0.2993 0.2434 -3.296 -0.156 87.652 A 109 ASP A 105 ASP^? A 182 GLU A 110 GLU^? A 286 ASN A 69 ASN^? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 6 3 RMSD = 1.18 A TRANSFORM -0.4262 0.3962 -0.8133 -0.5017 -0.8516 -0.1520 0.7528 -0.3432 -0.5617 -2.019 33.079 76.940 F 124 ALA A 120 ALA^? F 126 ARG A 127 ARG^? F 138 GLU A 116 GLU^? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 6 3 RMSD = 1.18 A TRANSFORM 0.6717 0.5170 0.5306 0.0401 -0.7405 0.6709 -0.7398 0.4293 0.5181 -31.831 12.440 3.422 B 124 ALA A 120 ALA^? B 126 ARG A 127 ARG^? B 138 GLU A 116 GLU^? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 7 3 RMSD = 1.23 A TRANSFORM -0.2559 -0.9246 0.2821 0.6742 0.0384 0.7376 0.6928 -0.3790 -0.6135 20.648 -13.427 79.177 E 124 ALA A 120 ALA^? E 126 ARG A 127 ARG^? E 138 GLU A 116 GLU^? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 RMSD = 1.24 A TRANSFORM 0.6552 0.7008 0.2822 -0.0436 -0.3379 0.9402 -0.7542 0.6283 0.1908 47.614 55.699 111.658 A 50 ASP A 7 ASP^? A 327 GLU B 14 GLU^? A 339 ARG B 18 ARG^? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 6 3 RMSD = 1.24 A TRANSFORM 0.6750 0.5133 0.5300 -0.0496 0.7483 -0.6615 0.7361 -0.4202 -0.5306 -31.743 -10.302 78.859 D 124 ALA A 120 ALA^? D 126 ARG A 127 ARG^? D 138 GLU A 116 GLU^? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 3 3 RMSD = 1.24 A TRANSFORM 0.5156 0.1660 0.8406 -0.2143 0.9749 -0.0611 0.8296 0.1486 -0.5382 -16.819 -41.149 21.942 B 317 GLU B 110 GLU^? B 319 ASP B 114 ASP^? B 359 ARG B 118 ARG^? ULMNm 3 1foh_c00 PHENOL HYDROXYLASE user 1 3 RMSD = 1.27 A TRANSFORM -0.9103 0.4131 0.0274 -0.3934 -0.8422 -0.3687 0.1293 0.3464 -0.9291 56.471 74.280 55.770 A 54 ASP A 124 ASP^? A 281 ARG A 127 ARG^? A 289 TYR A 4 TYR^? ULMNm 3 1foh_c03 PHENOL HYDROXYLASE user 1 3 RMSD = 1.29 A TRANSFORM 0.8448 -0.3656 -0.3908 -0.4081 -0.9125 -0.0285 0.3462 -0.1836 0.9200 80.513 74.926 87.311 D 54 ASP A 124 ASP^? D 281 ARG A 127 ARG^? D 289 TYR A 4 TYR^? ULMNm 3 1foh_c02 PHENOL HYDROXYLASE user 1 3 RMSD = 1.32 A TRANSFORM 0.4924 -0.0243 -0.8700 0.3137 0.9374 0.1513 -0.8119 0.3474 -0.4692 53.953 45.820 61.253 C 54 ASP A 124 ASP^? C 281 ARG A 127 ARG^? C 289 TYR A 4 TYR^? ULMNm 3 1foh_c01 PHENOL HYDROXYLASE user 1 3 RMSD = 1.32 A TRANSFORM -0.7116 0.2186 0.6677 0.5338 0.7861 0.3116 0.4568 -0.5782 0.6761 81.201 46.654 92.366 B 54 ASP A 124 ASP^? B 281 ARG A 127 ARG^? B 289 TYR A 4 TYR^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.33 A TRANSFORM 0.4883 -0.3072 0.8169 -0.0965 0.9113 0.4003 0.8673 0.2743 -0.4153 56.031 -12.285 7.625 A 261 GLY A 27 GLY.? B 17 GLN A 25 GLN~? B 140 GLU A 26 GLU~? ULMNm 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 7 3 RMSD = 1.35 A TRANSFORM 0.8377 0.1890 -0.5124 0.3770 -0.8789 0.2921 0.3951 0.4379 0.8075 9.684 70.315 -14.615 E 166 ASP B 7 ASP^? E 168 LYS B 90 LYS^? E 201 THR B 88 THR^? ULMNm 3 1ylu_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.39 A TRANSFORM 0.4355 0.7100 -0.5535 -0.4774 0.7034 0.5266 -0.7632 -0.0349 -0.6452 -21.816 -22.835 78.848 B 14 LYS A 39 LYS~? B 74 LYS A 43 LYS~? B 165 GLU B 61 GLU^? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 1 3 RMSD = 1.43 A TRANSFORM 0.8511 -0.4478 0.2740 0.2684 -0.0775 -0.9602 -0.4512 -0.8908 -0.0542 4.745 17.736 61.075 A 44 ASN A 58 ASN^? A 213 PRO A 59 PRO^? A 219 ASN A 67 ASN^? ULMNm 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM -0.9387 -0.0876 -0.3334 -0.2596 -0.4567 0.8509 0.2268 -0.8853 -0.4060 15.568 -7.427 80.903 A 1 CYH A 57 CYH?? A 98 ASN A 58 ASN^? A 99 GLY A 27 GLY.? ULMNm 3 2phk_c02 MC-PEPTIDE user 2 3 RMSD = 1.44 A TRANSFORM 0.0802 0.7774 -0.6239 0.3376 -0.6101 -0.7168 0.9379 0.1531 0.3114 25.855 37.812 16.652 A 149 ASP A 7 ASP^? A 151 LYS A 90 LYS^? A 186 THR A 88 THR^? ULMNm 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.44 A TRANSFORM 0.0868 -0.6512 -0.7539 0.5772 0.6497 -0.4948 -0.8120 0.3922 -0.4322 42.884 -42.245 28.758 A 1 CYH B 57 CYH?? A 98 ASN B 58 ASN^? A 99 GLY B 27 GLY^? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.44 A TRANSFORM 0.9281 0.0632 0.3670 0.2967 0.4698 -0.8314 0.2249 -0.8805 -0.4173 55.045 52.730 124.056 B 1 CYH A 57 CYH?? B 98 ASN A 58 ASN^? B 99 GLY A 27 GLY.? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.44 A TRANSFORM -0.0666 0.6807 0.7295 -0.5713 -0.6254 0.5314 -0.8180 0.3814 -0.4306 25.970 86.916 72.452 B 1 CYH B 57 CYH?? B 98 ASN B 58 ASN^? B 99 GLY B 27 GLY^? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.44 A TRANSFORM 0.9392 0.0989 0.3288 0.2488 0.4639 -0.8502 0.2366 -0.8804 -0.4111 19.386 13.934 123.913 C 1 CYH A 57 CYH?? C 98 ASN A 58 ASN^? C 99 GLY A 27 GLY.? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.45 A TRANSFORM 0.0737 -0.6746 -0.7345 0.5701 0.6328 -0.5240 -0.8182 0.3801 -0.4312 79.233 1.973 29.484 D 1 CYH B 57 CYH?? D 98 ASN B 58 ASN^? D 99 GLY B 27 GLY^? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.45 A TRANSFORM -0.9314 -0.0670 -0.3577 -0.2868 -0.4696 0.8350 0.2239 -0.8803 -0.4182 50.450 36.493 81.029 D 1 CYH A 57 CYH?? D 98 ASN A 58 ASN^? D 99 GLY A 27 GLY.? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.45 A TRANSFORM -0.0847 0.6423 0.7617 -0.5688 -0.6588 0.4923 -0.8181 0.3916 -0.4212 -7.208 49.454 71.866 C 1 CYH B 57 CYH?? C 98 ASN B 58 ASN^? C 99 GLY B 27 GLY^? ULMNm 3 1zrz_c02 PROTEIN KINASE C, IOTA user 4 3 RMSD = 1.45 A TRANSFORM 0.3470 0.1252 -0.9295 -0.9330 -0.0550 -0.3557 0.0956 -0.9906 -0.0977 6.313 31.225 80.149 A 369 ASP B 7 ASP^? A 371 LYS B 90 LYS^? A 407 THR B 88 THR^? ULMNm 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.46 A TRANSFORM -0.8897 -0.2953 0.3482 0.2997 -0.9531 -0.0427 -0.3444 -0.0664 -0.9365 44.541 43.630 58.804 A 14 LYS A 39 LYS~? A 74 LYS A 43 LYS~? A 165 GLU B 61 GLU^? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 RMSD = 1.47 A TRANSFORM 0.3432 0.5405 0.7682 -0.5392 -0.5563 0.6323 -0.7691 0.6312 -0.1005 -37.126 15.290 20.880 B 317 GLU A 110 GLU^? B 319 ASP A 114 ASP^? B 359 ARG A 118 ARG^? ULMNm 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.48 A TRANSFORM -0.7835 0.2865 0.5515 -0.0432 0.8601 -0.5083 0.6199 0.4220 0.6615 14.002 -30.615 18.555 A 14 LYS A 39 LYS~? A 74 LYS A 43 LYS~? A 165 GLU B 61 GLU^? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.48 A TRANSFORM 0.1530 0.4553 -0.8771 0.4320 0.7674 0.4738 -0.8888 0.4514 0.0793 41.531 1.495 38.917 C1050 GLN A 41 GLN~? C1091 LEU A 40 LEU~? C1133 GLU A 38 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.48 A TRANSFORM -0.2107 -0.2966 -0.9315 0.2940 0.8895 -0.3497 -0.9323 0.3476 0.1002 51.379 1.754 67.447 A 50 GLN A 41 GLN~? A 91 LEU A 40 LEU~? A 133 GLU A 38 GLU~? ULMNm 3 1kqc_c02 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.48 A TRANSFORM -0.9015 -0.2846 0.3260 0.3449 -0.9276 0.1438 -0.2615 -0.2421 -0.9344 36.816 74.795 32.411 C 14 LYS A 39 LYS~? C 74 LYS A 43 LYS~? C 165 GLU B 61 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.48 A TRANSFORM -0.3956 0.9128 -0.1015 -0.8441 -0.3178 0.4318 -0.3619 -0.2565 -0.8962 -41.032 33.860 26.384 141 ASP B 114 ASP^? 166 GLY B 73 GLY^? 169 GLU A 85 GLU^? ULMNm 3 1pow_c02 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 1 3 RMSD = 1.49 A TRANSFORM -0.9163 0.0305 -0.3992 0.4004 0.0679 -0.9138 0.0008 0.9972 0.0744 26.979 72.307 -29.603 A 264 ARG A 118 ARG^? A 479 PHE A 28 PHE.? A 483 GLU A 26 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.49 A TRANSFORM -0.4848 -0.8419 0.2370 0.2571 0.1218 0.9587 0.8360 -0.5257 -0.1574 130.081 42.948 64.403 B 550 GLN A 41 GLN~? B 591 LEU A 40 LEU~? B 633 GLU A 38 GLU~? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 2 3 RMSD = 1.50 A TRANSFORM -0.3368 0.8444 0.4167 -0.8929 -0.4268 0.1432 -0.2987 0.3238 -0.8977 -48.907 23.724 18.076 A 44 ASN B 58 ASN^? A 213 PRO B 59 PRO^? A 219 ASN B 67 ASN^? ULMNm 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 3 3 RMSD = 1.50 A TRANSFORM -0.6750 0.0082 0.7378 -0.3435 0.8814 -0.3241 0.6530 0.4722 0.5921 8.761 2.873 -13.214 E 166 ASP A 7 ASP^? E 168 LYS A 90 LYS^? E 201 THR A 88 THR^?