*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ 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 Match found in 2jxr_c06 LIGAND CP-081282 Pattern 2jxr_c06 Query structure RMSD= 1.44 A No. of residues = 4 ------- ------- --------------- A 32 ASP matches A 100 ASP A 33 THR matches A 101 THR A 215 ASP matches A 102 ASP A 218 THR matches C 88 THR 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 Match found in 2jxr_c06 LIGAND CP-081282 Pattern 2jxr_c06 Query structure RMSD= 1.46 A No. of residues = 4 ------- ------- --------------- A 32 ASP matches B 100 ASP A 33 THR matches B 101 THR A 215 ASP matches B 102 ASP A 218 THR matches A 88 THR 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 Match found in 1uok_c05 OLIGO-1,6-GLUCOSIDASE Pattern 1uok_c05 Query structure RMSD= 0.71 A No. of residues = 3 ------- ------- --------------- 199 ASP matches C 26 ASP 242 GLU matches B 53 GLU 329 ASP matches C 20 ASP 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 Match found in 1uok_c04 OLIGO-1,6-GLUCOSIDASE Pattern 1uok_c04 Query structure RMSD= 0.96 A No. of residues = 3 ------- ------- --------------- 199 ASP matches C 26 ASP 218 GLU matches A 90 GLU 329 ASP matches C 20 ASP 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 Match found in 1mro_c01 METHYL-COENZYME M REDUCTASE Pattern 1mro_c01 Query structure RMSD= 1.05 A No. of residues = 3 ------- ------- --------------- D 465 GLY matches C 99 GLY D 501 ASP matches B 26 ASP E 367 TYR matches A 103 TYR 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 Match found in 1mro_c00 METHYL-COENZYME M REDUCTASE Pattern 1mro_c00 Query structure RMSD= 1.05 A No. of residues = 3 ------- ------- --------------- A 465 GLY matches C 99 GLY A 501 ASP matches B 26 ASP B 367 TYR matches A 103 TYR 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 Match found in 1euu_c00 SIALIDASE Pattern 1euu_c00 Query structure RMSD= 1.08 A No. of residues = 3 ------- ------- --------------- 92 ASP matches C 20 ASP 260 GLU matches C 59 GLU 370 TYR matches C 86 TYR 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 Match found in 1sll_c00 SIALIDASE L Pattern 1sll_c00 Query structure RMSD= 1.21 A No. of residues = 3 ------- ------- --------------- 318 ASP matches C 20 ASP 595 GLU matches C 59 GLU 713 TYR matches C 86 TYR 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 Match found in 1dj1_c00 CYTOCHROME C PEROXIDASE Pattern 1dj1_c00 Query structure RMSD= 1.22 A No. of residues = 3 ------- ------- --------------- A 48 ALA matches B 37 ALA A 52 HIS matches B 72 HIS A 191 TRP matches B 106 TRP 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 Match found in 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P Pattern 1pjh_c02 Query structure RMSD= 1.26 A No. of residues = 3 ------- ------- --------------- C 70 ALA matches C 46 ALA C 126 LEU matches A 42 LEU C 158 GLU matches A 21 GLU 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 Match found in 1mro_c00 METHYL-COENZYME M REDUCTASE Pattern 1mro_c00 Query structure RMSD= 1.26 A No. of residues = 3 ------- ------- --------------- A 465 GLY matches A 99 GLY A 501 ASP matches C 26 ASP B 367 TYR matches B 103 TYR 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 Match found in 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P Pattern 1pjh_c00 Query structure RMSD= 1.26 A No. of residues = 3 ------- ------- --------------- A 70 ALA matches C 46 ALA A 126 LEU matches A 42 LEU A 158 GLU matches A 21 GLU 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 Match found in 1mro_c01 METHYL-COENZYME M REDUCTASE Pattern 1mro_c01 Query structure RMSD= 1.27 A No. of residues = 3 ------- ------- --------------- D 465 GLY matches A 99 GLY D 501 ASP matches C 26 ASP E 367 TYR matches B 103 TYR 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 Match found in 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P Pattern 1pjh_c01 Query structure RMSD= 1.27 A No. of residues = 3 ------- ------- --------------- B 70 ALA matches C 46 ALA B 126 LEU matches A 42 LEU B 158 GLU matches A 21 GLU 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 Match found in 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E. Pattern 1cdg_c00 Query structure RMSD= 1.28 A No. of residues = 3 ------- ------- --------------- 229 ASP matches C 26 ASP 264 GLU matches C 90 GLU 328 ASP matches C 20 ASP 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 Match found in 1m53_c06 ISOMALTULOSE SYNTHASE Pattern 1m53_c06 Query structure RMSD= 1.31 A No. of residues = 3 ------- ------- --------------- A 241 ASP matches A 20 ASP A 279 GLU matches B 21 GLU A 369 ASP matches A 26 ASP 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 Match found in 1brw_c00 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE Pattern 1brw_c00 Query structure RMSD= 1.31 A No. of residues = 3 ------- ------- --------------- A 82 HIS matches A 83 HIS A 168 ARG matches A 112 ARG A 187 LYS matches A 30 LYS 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 Match found in 1mro_c01 METHYL-COENZYME M REDUCTASE Pattern 1mro_c01 Query structure RMSD= 1.32 A No. of residues = 3 ------- ------- --------------- D 465 GLY matches B 99 GLY D 501 ASP matches A 26 ASP E 367 TYR matches C 103 TYR 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 Match found in 1mro_c00 METHYL-COENZYME M REDUCTASE Pattern 1mro_c00 Query structure RMSD= 1.33 A No. of residues = 3 ------- ------- --------------- A 465 GLY matches B 99 GLY A 501 ASP matches A 26 ASP B 367 TYR matches C 103 TYR 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 Match found in 3hde_o00 LYSOZYME Pattern 3hde_o00 Query structure RMSD= 1.34 A No. of residues = 3 ------- ------- --------------- A 35 GLU matches C 78 GLU A 44 ASP matches A 102 ASP A 50 THR matches A 101 THR 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 Match found in 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRA Pattern 2tdt_c00 Query structure RMSD= 1.34 A No. of residues = 3 ------- ------- --------------- 141 ASP matches C 20 ASP 166 GLY matches A 45 GLY 169 GLU matches B 21 GLU 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 Match found in 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE Pattern 1amy_c06 Query structure RMSD= 1.36 A No. of residues = 3 ------- ------- --------------- 179 ASP matches C 20 ASP 227 GLU matches C 90 GLU 289 ASP matches C 26 ASP 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 Match found in 3hde_o02 LYSOZYME Pattern 3hde_o02 Query structure RMSD= 1.38 A No. of residues = 3 ------- ------- --------------- C 35 GLU matches C 78 GLU C 44 ASP matches A 102 ASP C 50 THR matches A 101 THR 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 Match found in 1brw_c01 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE Pattern 1brw_c01 Query structure RMSD= 1.38 A No. of residues = 3 ------- ------- --------------- B1082 HIS matches A 83 HIS B1168 ARG matches A 112 ARG B1187 LYS matches A 30 LYS 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 Match found in 3hde_o01 LYSOZYME Pattern 3hde_o01 Query structure RMSD= 1.39 A No. of residues = 3 ------- ------- --------------- B 35 GLU matches C 78 GLU B 44 ASP matches A 102 ASP B 50 THR matches A 101 THR 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 Match found in 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE Pattern 1pym_c00 Query structure RMSD= 1.40 A No. of residues = 3 ------- ------- --------------- A 48 LEU matches A 104 LEU A 58 ASP matches A 100 ASP A 120 LYS matches C 81 LYS 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 Match found in 1pnl_c00 PENICILLIN AMIDOHYDROLASE Pattern 1pnl_c00 Query structure RMSD= 1.43 A No. of residues = 3 ------- ------- --------------- B 1 SER matches A 105 SER B 69 ALA matches A 109 ALA B 241 ASN matches A 108 ASN 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 Match found in 1uok_c04 OLIGO-1,6-GLUCOSIDASE Pattern 1uok_c04 Query structure RMSD= 1.44 A No. of residues = 3 ------- ------- --------------- 199 ASP matches B 26 ASP 218 GLU matches C 90 GLU 329 ASP matches B 20 ASP 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 Match found in 1uok_c04 OLIGO-1,6-GLUCOSIDASE Pattern 1uok_c04 Query structure RMSD= 1.46 A No. of residues = 3 ------- ------- --------------- 199 ASP matches A 26 ASP 218 GLU matches B 90 GLU 329 ASP matches A 20 ASP 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 Match found in 1aq2_c00 PHOSPHOENOLPYRUVATE CARBOXYKINASE Pattern 1aq2_c00 Query structure RMSD= 1.46 A No. of residues = 3 ------- ------- --------------- 232 HIS matches A 83 HIS 254 LYS matches A 30 LYS 333 ARG matches A 112 ARG 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 Match found in 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE Pattern 1pym_c01 Query structure RMSD= 1.46 A No. of residues = 3 ------- ------- --------------- B 48 LEU matches A 104 LEU B 58 ASP matches A 100 ASP B 120 LYS matches C 81 LYS 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 Match found in 1dj1_c00 CYTOCHROME C PEROXIDASE Pattern 1dj1_c00 Query structure RMSD= 1.48 A No. of residues = 3 ------- ------- --------------- A 48 ALA matches C 37 ALA A 52 HIS matches C 72 HIS A 191 TRP matches C 106 TRP 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 Match found in 3hde_o02 LYSOZYME Pattern 3hde_o02 Query structure RMSD= 1.49 A No. of residues = 3 ------- ------- --------------- C 35 GLU matches A 78 GLU C 44 ASP matches B 102 ASP C 50 THR matches B 101 THR 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 Match found in 1m53_c06 ISOMALTULOSE SYNTHASE Pattern 1m53_c06 Query structure RMSD= 1.49 A No. of residues = 3 ------- ------- --------------- A 241 ASP matches C 20 ASP A 279 GLU matches A 21 GLU A 369 ASP matches C 26 ASP 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 Match found in 3hde_o02 LYSOZYME Pattern 3hde_o02 Query structure RMSD= 1.49 A No. of residues = 3 ------- ------- --------------- C 35 GLU matches B 78 GLU C 44 ASP matches C 102 ASP C 50 THR matches C 101 THR 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 Match found in 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE Pattern 1amy_c01 Query structure RMSD= 1.49 A No. of residues = 3 ------- ------- --------------- 179 ASP matches C 26 ASP 214 ASP matches A 20 ASP 289 ASP matches C 20 ASP