*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 2jxr_c06 LIGAND CP-081282 user 1 4 RMSD = 1.44 A TRANSFORM -0.6702 -0.7339 -0.1103 -0.5610 0.5984 -0.5720 -0.4858 0.3215 0.8128 -19.297 44.906 68.881 A 32 ASP A 100 ASP~? A 33 THR A 101 THR~? A 215 ASP A 102 ASP~? A 218 THR C 88 THR.? ULMNm 4 2jxr_c06 LIGAND CP-081282 user 2 4 RMSD = 1.46 A TRANSFORM -0.4045 -0.5253 0.7486 0.3431 -0.8460 -0.4082 -0.8478 -0.0917 -0.5224 -4.526 30.835 46.914 A 32 ASP B 100 ASP~? A 33 THR B 101 THR~? A 215 ASP B 102 ASP~? A 218 THR A 88 THR.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 0.71 A TRANSFORM 0.3748 -0.6965 -0.6119 0.8253 0.5513 -0.1220 -0.4223 0.4593 -0.7815 37.737 15.898 -11.925 199 ASP C 26 ASP~? 242 GLU B 53 GLU.? 329 ASP C 20 ASP~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 0.96 A TRANSFORM 0.6087 -0.7308 -0.3090 0.3119 0.5784 -0.7537 -0.7295 -0.3624 -0.5800 45.540 0.393 8.197 199 ASP C 26 ASP~? 218 GLU A 90 GLU.? 329 ASP C 20 ASP~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.05 A TRANSFORM 0.9650 0.0200 -0.2616 0.2590 -0.2342 0.9371 0.0425 0.9720 0.2311 15.466 63.555 -40.939 D 465 GLY C 99 GLY^? D 501 ASP B 26 ASP~? E 367 TYR A 103 TYR~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.05 A TRANSFORM 0.4047 0.2413 -0.8820 -0.9144 0.1135 -0.3885 -0.0064 -0.9638 -0.2666 -1.793 28.252 -25.511 A 465 GLY C 99 GLY^? A 501 ASP B 26 ASP~? B 367 TYR A 103 TYR~? ULMNm 3 1euu_c00 SIALIDASE user 3 3 RMSD = 1.08 A TRANSFORM -0.2614 0.8519 -0.4538 0.1582 -0.4260 -0.8908 0.9522 0.3046 0.0234 -12.367 -48.414 11.368 92 ASP C 20 ASP~? 260 GLU C 59 GLU^? 370 TYR C 86 TYR.? ULMNm 3 1sll_c00 SIALIDASE L user 1 3 RMSD = 1.21 A TRANSFORM 0.3743 0.3161 -0.8718 0.1360 -0.9486 -0.2856 0.9173 0.0117 0.3981 -34.432 0.074 38.567 318 ASP C 20 ASP~? 595 GLU C 59 GLU^? 713 TYR C 86 TYR.? ULMNm 3 1dj1_c00 CYTOCHROME C PEROXIDASE user 2 3 RMSD = 1.22 A TRANSFORM -0.3408 0.8919 0.2972 0.0173 0.3220 -0.9466 0.9400 0.3175 0.1252 14.818 17.260 -13.256 A 48 ALA B 37 ALA.? A 52 HIS B 72 HIS~? A 191 TRP B 106 TRP~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.26 A TRANSFORM -0.9399 0.0689 -0.3344 -0.1384 -0.9722 0.1887 0.3121 -0.2236 -0.9233 16.185 -3.192 113.913 C 70 ALA C 46 ALA^? C 126 LEU A 42 LEU^? C 158 GLU A 21 GLU~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.26 A TRANSFORM 0.9961 -0.0442 0.0762 -0.0416 -0.9985 -0.0351 -0.0776 -0.0318 0.9965 7.600 19.837 3.217 A 465 GLY A 99 GLY^? A 501 ASP C 26 ASP~? B 367 TYR B 103 TYR~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.26 A TRANSFORM 0.6157 0.7837 -0.0824 -0.7371 0.5357 -0.4120 0.2787 -0.3144 -0.9075 -16.597 39.869 113.626 A 70 ALA C 46 ALA^? A 126 LEU A 42 LEU^? A 158 GLU A 21 GLU~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.27 A TRANSFORM 0.6527 0.7482 0.1191 -0.7471 0.6617 -0.0629 0.1259 0.0479 -0.9909 29.169 60.784 -69.025 D 465 GLY A 99 GLY^? D 501 ASP C 26 ASP~? E 367 TYR B 103 TYR~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 11 3 RMSD = 1.27 A TRANSFORM 0.3559 -0.8802 0.3140 0.9032 0.4102 0.1263 0.2400 -0.2386 -0.9410 -37.404 -9.153 115.980 B 70 ALA C 46 ALA^? B 126 LEU A 42 LEU^? B 158 GLU A 21 GLU~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.28 A TRANSFORM -0.4734 -0.7218 0.5049 0.4316 -0.6898 -0.5813 -0.7679 0.0572 -0.6381 76.269 69.434 29.413 229 ASP C 26 ASP~? 264 GLU C 90 GLU.? 328 ASP C 20 ASP~? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.31 A TRANSFORM -0.9357 -0.0530 0.3487 0.3521 -0.1983 0.9147 -0.0207 -0.9787 -0.2042 48.488 49.486 66.994 A 241 ASP A 20 ASP~? A 279 GLU B 21 GLU~? A 369 ASP A 26 ASP~? ULMNm 3 1brw_c00 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 1 3 RMSD = 1.31 A TRANSFORM 0.4846 0.8082 -0.3347 -0.1850 0.4686 0.8638 -0.8550 0.3566 -0.3766 57.853 52.129 77.081 A 82 HIS A 83 HIS~? A 168 ARG A 112 ARG.? A 187 LYS A 30 LYS~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.32 A TRANSFORM 0.3863 0.5897 -0.7092 -0.0463 -0.7556 -0.6534 0.9212 -0.2852 0.2646 15.812 35.312 -55.964 D 465 GLY B 99 GLY^? D 501 ASP A 26 ASP~? E 367 TYR C 103 TYR~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.33 A TRANSFORM 0.3219 0.9436 0.0771 -0.2884 0.0202 0.9573 -0.9018 0.3304 -0.2787 19.685 45.977 -9.760 A 465 GLY B 99 GLY^? A 501 ASP A 26 ASP~? B 367 TYR C 103 TYR~? ULMNm 3 3hde_o00 LYSOZYME user 10 3 RMSD = 1.34 A TRANSFORM -0.6082 0.7851 -0.1173 0.7200 0.4833 -0.4981 0.3343 0.3874 0.8592 -5.836 -33.797 3.679 A 35 GLU C 78 GLU~? A 44 ASP A 102 ASP~? A 50 THR A 101 THR~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.34 A TRANSFORM -0.5337 0.1043 -0.8392 0.0339 -0.9889 -0.1445 0.8450 0.1056 -0.5243 -13.727 10.038 -30.603 141 ASP C 20 ASP~? 166 GLY A 45 GLY^? 169 GLU B 21 GLU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.36 A TRANSFORM -0.8411 0.2897 0.4567 0.4777 0.7939 0.3761 0.2536 -0.5345 0.8062 25.774 65.289 60.858 179 ASP C 20 ASP~? 227 GLU C 90 GLU.? 289 ASP C 26 ASP~? ULMNm 3 3hde_o02 LYSOZYME user 9 3 RMSD = 1.38 A TRANSFORM 0.5637 -0.8247 0.0465 -0.4106 -0.3286 -0.8505 -0.7167 -0.4603 0.5238 23.704 -25.822 12.170 C 35 GLU C 78 GLU~? C 44 ASP A 102 ASP~? C 50 THR A 101 THR~? ULMNm 3 1brw_c01 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 1 3 RMSD = 1.38 A TRANSFORM -0.1948 -0.8868 -0.4192 -0.2561 -0.3666 0.8944 0.9468 -0.2816 0.1557 7.946 30.874 79.891 B1082 HIS A 83 HIS~? B1168 ARG A 112 ARG.? B1187 LYS A 30 LYS~? ULMNm 3 3hde_o01 LYSOZYME user 8 3 RMSD = 1.39 A TRANSFORM 0.1127 -0.1175 -0.9867 -0.9924 -0.0617 -0.1060 0.0485 -0.9911 0.1236 -36.955 -19.800 -22.790 B 35 GLU C 78 GLU~? B 44 ASP A 102 ASP~? B 50 THR A 101 THR~? ULMNm 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 1 3 RMSD = 1.40 A TRANSFORM -0.5396 -0.2313 0.8096 -0.6022 0.7780 -0.1791 0.5884 0.5842 0.5590 57.585 68.681 97.291 A 48 LEU A 104 LEU~? A 58 ASP A 100 ASP~? A 120 LYS C 81 LYS~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.43 A TRANSFORM -0.9986 0.0492 0.0205 0.0274 0.1453 0.9890 -0.0457 -0.9882 0.1464 13.945 76.981 28.931 B 1 SER A 105 SER~? B 69 ALA A 109 ALA~? B 241 ASN A 108 ASN~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.44 A TRANSFORM -0.3568 0.5582 -0.7490 0.6493 0.7247 0.2308 -0.6716 0.4040 0.6210 53.731 15.329 32.863 199 ASP B 26 ASP~? 218 GLU C 90 GLU.? 329 ASP B 20 ASP~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.46 A TRANSFORM 0.2861 0.4512 0.8453 0.9559 -0.0731 -0.2845 0.0666 -0.8894 0.4522 76.316 -1.079 16.450 199 ASP A 26 ASP~? 218 GLU B 90 GLU.? 329 ASP A 20 ASP~? ULMNm 3 1aq2_c00 PHOSPHOENOLPYRUVATE CARBOXYKINASE user 1 3 RMSD = 1.46 A TRANSFORM -0.8090 -0.4185 0.4128 -0.4128 -0.0956 -0.9058 -0.4185 0.9032 0.0954 50.438 -20.978 41.309 232 HIS A 83 HIS~? 254 LYS A 30 LYS~? 333 ARG A 112 ARG.? ULMNm 3 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE user 1 3 RMSD = 1.46 A TRANSFORM 0.7208 0.6180 0.3139 0.6021 -0.7826 0.1583 -0.3434 -0.0749 0.9362 69.177 104.264 87.435 B 48 LEU A 104 LEU~? B 58 ASP A 100 ASP~? B 120 LYS C 81 LYS~? ULMNm 3 1dj1_c00 CYTOCHROME C PEROXIDASE user 3 3 RMSD = 1.48 A TRANSFORM -0.1119 -0.2837 -0.9523 0.9017 -0.4319 0.0227 0.4177 0.8561 -0.3042 -16.359 22.462 -12.117 A 48 ALA C 37 ALA.? A 52 HIS C 72 HIS~? A 191 TRP C 106 TRP~? ULMNm 3 3hde_o02 LYSOZYME user 2 3 RMSD = 1.49 A TRANSFORM -0.0438 0.6183 0.7847 0.3966 -0.7101 0.5817 -0.9169 -0.3367 0.2142 51.372 -9.936 10.331 C 35 GLU A 78 GLU~? C 44 ASP B 102 ASP~? C 50 THR B 101 THR~? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.49 A TRANSFORM -0.4361 -0.5914 0.6783 0.0664 -0.7729 -0.6311 -0.8974 0.2302 -0.3764 46.193 22.155 78.125 A 241 ASP C 20 ASP~? A 279 GLU A 21 GLU~? A 369 ASP C 26 ASP~? ULMNm 3 3hde_o02 LYSOZYME user 6 3 RMSD = 1.49 A TRANSFORM -0.4823 0.1818 -0.8569 -0.6031 0.6405 0.4754 -0.6353 -0.7461 0.1993 24.116 5.714 5.374 C 35 GLU B 78 GLU~? C 44 ASP C 102 ASP~? C 50 THR C 101 THR~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.49 A TRANSFORM 0.8249 -0.4425 -0.3518 -0.5125 -0.3227 -0.7958 -0.2386 -0.8367 0.4929 -12.247 50.496 59.485 179 ASP C 26 ASP~? 214 ASP A 20 ASP~? 289 ASP C 20 ASP~?