*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1a0s_o00 SUCROSE-SPECIFIC PORIN user 1 4 RMSD = 1.39 A TRANSFORM -0.6475 -0.7145 -0.2649 -0.1692 0.4737 -0.8643 -0.7430 0.5148 0.4276 -66.335 -8.971 -9.806 P 437 ARG B 50 ARG^? P 439 GLU B 7 GLU^? P 441 ARG B 116 ARG^? P 480 GLU B 9 GLU^? ULMNm 3 1kim_c00 THYMIDINE KINASE user 3 3 RMSD = 0.64 A TRANSFORM 0.0842 -0.7105 -0.6986 -0.0298 -0.7026 0.7110 0.9960 0.0390 0.0804 39.189 57.135 70.453 A 83 GLU B 7 GLU^? A 163 ARG B 50 ARG^? A 222 ARG B 116 ARG^? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 0.65 A TRANSFORM -0.5372 -0.7151 -0.4473 0.8425 -0.4809 -0.2428 0.0415 0.5073 -0.8608 11.293 24.189 29.140 B 1 ALA B 26 ALA~? B 74 ASN B 29 ASN~? B 75 GLY B 98 GLY.? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 0.66 A TRANSFORM -0.8240 0.0570 -0.5636 -0.3299 -0.8571 0.3956 0.4606 -0.5120 -0.7251 -24.579 44.697 118.523 A 1 ALA B 26 ALA~? A 74 ASN B 29 ASN~? A 75 GLY B 98 GLY.? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 0.66 A TRANSFORM 0.9798 0.0852 0.1810 0.1317 -0.9558 -0.2629 -0.1506 -0.2814 0.9477 48.723 9.140 40.938 B 1 ALA A 26 ALA~? B 74 ASN A 29 ASN~? B 75 GLY A 98 GLY.? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 0.67 A TRANSFORM 0.4916 0.4797 0.7267 0.7243 0.2381 -0.6471 0.4835 -0.8445 0.2304 14.361 57.756 127.437 A 1 ALA A 26 ALA~? A 74 ASN A 29 ASN~? A 75 GLY A 98 GLY.? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 0.70 A TRANSFORM 0.9943 -0.0672 -0.0824 0.0966 0.8941 0.4372 -0.0443 0.4427 -0.8956 7.555 62.594 114.824 D 1 ALA B 26 ALA~? D 74 ASN B 29 ASN~? D 75 GLY B 98 GLY.? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 0.72 A TRANSFORM -0.3343 -0.9110 -0.2413 -0.9412 0.3359 0.0360 -0.0482 -0.2392 0.9698 -21.731 37.200 131.077 D 1 ALA A 26 ALA~? D 74 ASN A 29 ASN~? D 75 GLY A 98 GLY.? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 0.73 A TRANSFORM 0.7072 0.6787 -0.1981 -0.6245 0.4684 -0.6250 0.3314 -0.5657 -0.7551 41.614 3.007 28.284 C 1 ALA B 26 ALA~? C 74 ASN B 29 ASN~? C 75 GLY B 98 GLY.? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 0.74 A TRANSFORM -0.8006 -0.5231 0.2921 0.0827 0.3864 0.9186 0.5934 -0.7596 0.2661 14.196 31.358 42.799 C 1 ALA A 26 ALA~? C 74 ASN A 29 ASN~? C 75 GLY A 98 GLY.? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 4 3 RMSD = 0.99 A TRANSFORM 0.4247 -0.8452 -0.3244 0.2451 -0.2376 0.9399 0.8715 0.4787 -0.1062 2.444 24.219 56.657 B 317 GLU B 18 GLU.? B 319 ASP B 19 ASP~? B 359 ARG B 21 ARG~? ULMNm 3 1fhl_c00 BETA-1,4-GALACTANASE user 5 3 RMSD = 1.06 A TRANSFORM -0.9575 0.2225 -0.1833 -0.1113 -0.8719 -0.4769 0.2659 0.4363 -0.8596 1.707 12.709 128.228 A 45 ARG B 50 ARG^? A 136 GLU B 11 GLU^? A 246 GLU B 9 GLU^? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 4 3 RMSD = 1.06 A TRANSFORM -0.9591 0.2434 -0.1446 -0.1391 -0.8498 -0.5083 0.2466 0.4674 -0.8489 2.091 12.363 128.070 A 45 ARG B 50 ARG^? A 136 GLU B 11 GLU^? A 246 GLU B 9 GLU^? ULMNm 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 4 3 RMSD = 1.09 A TRANSFORM 0.8279 0.5608 0.0071 0.1713 -0.2648 0.9490 -0.5340 0.7844 0.3153 31.740 22.381 22.030 A 317 GLU B 18 GLU.? A 319 ASP B 19 ASP~? A 359 ARG B 21 ARG~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 4 3 RMSD = 1.10 A TRANSFORM 0.0369 0.7314 0.6810 -0.4919 0.6065 -0.6247 0.8699 0.3119 -0.3822 66.581 91.493 78.290 A 83 GLU B 7 GLU^? A 163 ARG B 116 ARG^? A 222 ARG B 50 ARG^? ULMNm 3 1bqc_c01 BETA-MANNANASE user 4 3 RMSD = 1.18 A TRANSFORM -0.8039 -0.4524 -0.3860 0.5868 -0.7089 -0.3913 0.0966 0.5411 -0.8354 16.457 17.476 34.693 A 50 ARG B 50 ARG^? A 128 GLU B 11 GLU^? A 225 GLU B 9 GLU^? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 1 3 RMSD = 1.19 A TRANSFORM 0.1484 0.8185 0.5551 0.9505 -0.2730 0.1484 -0.2730 -0.5056 0.8185 33.743 43.320 132.091 A 45 ARG A 50 ARG^? A 136 GLU A 11 GLU^? A 246 GLU A 9 GLU^? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.22 A TRANSFORM 0.5516 0.5648 -0.6138 0.3556 -0.8249 -0.4395 0.7545 -0.0242 0.6558 15.967 1.121 33.588 A 16 TYR A 15 TYR.? A 40 ASP B 105 ASP.? A 103 LEU A 108 LEU.? ULMNm 3 1fhl_c00 BETA-1,4-GALACTANASE user 1 3 RMSD = 1.25 A TRANSFORM 0.2315 0.7897 0.5682 0.9478 -0.3147 0.0512 -0.2192 -0.5267 0.8213 34.638 40.530 133.050 A 45 ARG A 50 ARG^? A 136 GLU A 11 GLU^? A 246 GLU A 9 GLU^? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.26 A TRANSFORM 0.4061 0.5379 -0.7388 -0.3478 0.8385 0.4194 -0.8450 -0.0866 -0.5276 13.308 35.120 13.995 B 16 TYR A 15 TYR.? B 40 ASP B 105 ASP.? B 103 LEU A 108 LEU.? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 1 3 RMSD = 1.27 A TRANSFORM -0.4146 -0.7689 -0.4868 0.5309 0.2301 -0.8156 -0.7391 0.5965 -0.3128 62.195 18.822 101.122 B 382 ARG A 50 ARG^? B 451 GLU A 11 GLU^? B 540 GLU A 9 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.30 A TRANSFORM -0.4187 -0.1951 0.8869 0.1652 0.9440 0.2856 0.8930 -0.2661 0.3630 12.058 16.043 19.417 141 ASP A 19 ASP~? 166 GLY A 33 GLY.? 169 GLU A 7 GLU^? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 3 3 RMSD = 1.31 A TRANSFORM 0.9833 -0.0262 0.1800 -0.1352 -0.7676 0.6265 -0.1218 0.6404 0.7583 98.813 17.618 124.362 B 382 ARG B 50 ARG^? B 451 GLU B 11 GLU^? B 540 GLU B 9 GLU^? ULMNm 3 1bqc_c01 BETA-MANNANASE user 1 3 RMSD = 1.34 A TRANSFORM 0.8004 0.4267 0.4210 0.5296 -0.8324 -0.1631 -0.2809 -0.3535 0.8923 59.905 18.319 42.423 A 50 ARG A 50 ARG^? A 128 GLU A 11 GLU^? A 225 GLU A 9 GLU^? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.36 A TRANSFORM -0.7367 -0.6620 0.1384 -0.6748 0.7062 -0.2141 -0.0440 0.2511 0.9670 38.156 44.495 37.179 199 ASP A 105 ASP.? 242 GLU A 78 GLU~? 329 ASP B 105 ASP.? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 2 3 RMSD = 1.39 A TRANSFORM -0.3571 -0.6718 -0.6490 0.3505 -0.7404 0.5735 0.8658 0.0227 -0.4999 -13.868 66.165 36.902 A 311 GLU A 84 GLU.? A 475 GLU A 6 GLU.? A 477 ARG A 116 ARG^? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.39 A TRANSFORM -0.7657 -0.3523 -0.5382 0.3762 -0.9239 0.0697 0.5218 0.1491 -0.8399 8.124 9.549 18.798 199 ASP B 71 ASP~? 242 GLU B 85 GLU^? 329 ASP B 133 ASP.? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 9 3 RMSD = 1.42 A TRANSFORM 0.5115 -0.1277 0.8497 -0.7831 0.3379 0.5221 0.3538 0.9325 -0.0729 73.911 32.369 92.262 C1050 GLN B 121 GLN~? C1091 LEU B 123 LEU~? C1133 GLU B 78 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.42 A TRANSFORM 0.0519 -0.5403 0.8399 0.9820 0.1804 0.0554 0.1814 -0.8219 -0.5399 10.951 11.115 -23.689 141 ASP A 105 ASP.? 166 GLY A 80 GLY~? 169 GLU A 85 GLU^? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 8 3 RMSD = 1.44 A TRANSFORM 0.9203 -0.3585 0.1565 -0.0768 0.2268 0.9709 0.3836 0.9056 -0.1811 47.876 52.189 115.354 A 50 GLN B 121 GLN~? A 91 LEU B 123 LEU~? A 133 GLU B 78 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 4 3 RMSD = 1.45 A TRANSFORM -0.3273 -0.1107 -0.9384 -0.1857 0.9813 -0.0509 -0.9265 -0.1576 0.3417 37.588 40.557 67.787 C1050 GLN A 121 GLN~? C1091 LEU A 123 LEU~? C1133 GLU A 78 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 8 3 RMSD = 1.45 A TRANSFORM 0.2649 -0.1007 -0.9590 -0.9327 0.2257 -0.2814 -0.2448 -0.9690 0.0341 89.295 33.866 8.711 B 550 GLN B 121 GLN~? B 591 LEU B 123 LEU~? B 633 GLU B 78 GLU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 RMSD = 1.46 A TRANSFORM 0.7917 0.5751 0.2059 0.5167 -0.8103 0.2764 -0.3258 0.1125 0.9387 24.393 56.789 47.717 179 ASP B 105 ASP.? 227 GLU B 18 GLU.? 289 ASP A 105 ASP.? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 2 3 RMSD = 1.46 A TRANSFORM 0.3212 0.6592 0.6799 0.9469 -0.2153 -0.2386 0.0109 -0.7205 0.6934 71.059 16.565 110.676 B 311 GLU A 84 GLU.? B 475 GLU A 6 GLU.? B 477 ARG A 116 ARG^? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 4 3 RMSD = 1.46 A TRANSFORM 0.8458 0.4782 -0.2367 -0.0647 0.5322 0.8441 -0.5296 0.6986 -0.4811 65.058 62.149 19.570 199 ASP B 105 ASP.? 242 GLU B 78 GLU~? 329 ASP A 105 ASP.? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.46 A TRANSFORM -0.0525 -0.8147 -0.5775 -0.4728 0.5297 -0.7042 -0.8796 -0.2360 0.4130 18.558 27.193 92.982 A 50 GLN A 121 GLN~? A 91 LEU A 123 LEU~? A 133 GLU A 78 GLU~? ULMNm 3 3hde_o02 LYSOZYME user 2 3 RMSD = 1.48 A TRANSFORM 0.0255 0.9846 -0.1728 -0.4696 -0.1408 -0.8716 0.8825 -0.1033 -0.4588 49.388 -6.514 23.593 C 35 GLU B 6 GLU.? C 44 ASP B 53 ASP.? C 50 THR B 51 THR^? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.48 A TRANSFORM 0.2913 -0.6655 0.6872 0.2133 0.7455 0.6315 0.9326 0.0374 -0.3591 105.727 68.741 31.037 B 550 GLN A 121 GLN~? B 591 LEU A 123 LEU~? B 633 GLU A 78 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 7 3 RMSD = 1.48 A TRANSFORM 0.1298 0.4809 0.8671 0.6025 -0.7328 0.3162 -0.7875 -0.4814 0.3848 111.581 47.447 41.802 B 550 GLN B 93 GLN~? B 591 LEU A 108 LEU.? B 633 GLU B 18 GLU.? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 8 3 RMSD = 1.48 A TRANSFORM -0.5580 0.2126 -0.8022 0.3934 -0.7834 -0.4812 0.7307 0.5840 -0.3535 49.854 20.869 59.612 C1050 GLN B 93 GLN~? C1091 LEU A 108 LEU.? C1133 GLU B 18 GLU.? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 8 3 RMSD = 1.49 A TRANSFORM 0.2547 -0.3333 -0.9078 0.8619 0.5039 0.0568 -0.4385 0.7969 -0.4156 28.945 94.746 93.154 A 50 GLN B 121 GLN~? A 91 LEU B 123 LEU~? A 133 GLU B 78 GLU~? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 1 3 RMSD = 1.49 A TRANSFORM 0.5767 -0.4757 -0.6641 0.3917 -0.5524 0.7358 0.7169 0.6845 0.1322 -24.672 49.115 59.137 A 53 SER A 106 SER.? A 54 PRO A 107 PRO.? A 96 ASP A 105 ASP.? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 7 3 RMSD = 1.49 A TRANSFORM -0.6759 0.7218 -0.1488 -0.0878 -0.2793 -0.9562 0.7317 0.6332 -0.2521 41.646 22.828 85.656 A 50 GLN B 93 GLN~? A 91 LEU A 108 LEU.? A 133 GLU B 18 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.49 A TRANSFORM 0.0676 0.7804 -0.6217 -0.9458 0.2484 0.2091 -0.3176 -0.5738 -0.7549 9.654 -8.252 -14.669 141 ASP B 19 ASP~? 166 GLY B 33 GLY.? 169 GLU B 7 GLU^? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.50 A TRANSFORM 0.4852 -0.6815 0.5479 -0.7647 -0.6346 -0.1122 -0.4242 0.3645 0.8290 47.993 56.528 105.943 A 50 GLN A 121 GLN~? A 91 LEU A 123 LEU~? A 133 GLU A 78 GLU~?