*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 3 3 RMSD = 0.88 A TRANSFORM 0.9038 -0.1419 0.4038 -0.3152 -0.8590 0.4035 -0.2896 0.4920 0.8210 45.832 89.283 96.725 A 451 GLU A 157 GLU~? A 504 TYR A 187 TYR^? A 540 GLU A 185 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.02 A TRANSFORM -0.2511 -0.9425 -0.2208 -0.2627 0.2859 -0.9216 -0.9316 0.1734 0.3194 26.454 20.466 14.930 141 ASP A 7 ASP~? 166 GLY A 72 GLY.? 169 GLU A 67 GLU.? ULMNm 3 1bhg_c03 BETA-GLUCURONIDASE user 3 3 RMSD = 1.06 A TRANSFORM 0.8506 -0.3076 0.4265 0.4680 0.8125 -0.3474 0.2397 -0.4952 -0.8351 51.444 26.710 105.338 B 451 GLU A 157 GLU~? B 504 TYR A 187 TYR^? B 540 GLU A 185 GLU^? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 2 3 RMSD = 1.08 A TRANSFORM -0.3443 -0.9319 0.1142 0.8573 -0.3617 -0.3664 -0.3827 0.0282 -0.9234 28.013 114.663 30.005 A 461 GLU A 157 GLU~? A 503 TYR A 187 TYR^? A 537 GLU A 185 GLU^? ULMNm 3 2dbt_c00 CHITINASE C user 3 3 RMSD = 1.09 A TRANSFORM 0.6514 0.7576 0.0416 0.3707 -0.2699 -0.8887 0.6621 -0.5943 0.4566 50.522 1.840 -7.642 A 147 GLU A 142 GLU^? A 156 GLU A 144 GLU^? A 194 ASN A 175 ASN.? ULMNm 3 2dbt_c02 CHITINASE C user 3 3 RMSD = 1.11 A TRANSFORM -0.3239 -0.9388 0.1170 -0.1314 0.1671 0.9772 0.9369 -0.3011 0.1774 56.134 36.690 -14.060 C 147 GLU A 142 GLU^? C 156 GLU A 144 GLU^? C 194 ASN A 175 ASN.? ULMNm 3 2dbt_c01 CHITINASE C user 3 3 RMSD = 1.16 A TRANSFORM -0.8469 -0.4837 -0.2207 0.2904 -0.0732 -0.9541 -0.4454 0.8722 -0.2024 73.528 50.535 26.204 B 147 GLU A 142 GLU^? B 156 GLU A 144 GLU^? B 194 ASN A 175 ASN.? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 2 3 RMSD = 1.23 A TRANSFORM 0.0555 0.9321 -0.3580 0.6574 -0.3040 -0.6895 0.7515 0.1970 0.6296 12.651 1.643 -25.758 A 40 HIS A 183 HIS^? A 58 GLU A 185 GLU^? A 92 HIS A 150 HIS^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 5 3 RMSD = 1.25 A TRANSFORM -0.6997 -0.0386 -0.7134 -0.6760 -0.2875 0.6786 0.2313 -0.9570 -0.1750 87.176 113.180 30.707 229 ASP A 97 ASP~? 264 GLU A 185 GLU^? 328 ASP A 42 ASP.? ULMNm 3 1qfl_c02 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.27 A TRANSFORM 0.6662 -0.7453 0.0260 -0.0404 -0.0708 -0.9967 -0.7447 -0.6629 0.0773 20.475 2.762 82.424 C 348 HIS A 184 HIS^? C 378 CYH A 145 CYH^? C 380 GLY A 143 GLY^? ULMNm 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 2 3 RMSD = 1.29 A TRANSFORM -0.4310 -0.9023 -0.0126 -0.8990 0.4282 0.0921 0.0777 -0.0511 0.9957 85.810 17.487 40.078 A 145 LYS A 120 LYS~? A 177 GLU A 113 GLU~? A 201 LEU A 116 LEU~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 3 3 RMSD = 1.30 A TRANSFORM -0.4259 -0.5968 -0.6801 0.1328 -0.7847 0.6054 0.8950 -0.1676 -0.4134 137.620 34.851 -8.836 A 311 HIS A 184 HIS^? A 341 GLU A 142 GLU^? A 356 HIS A 183 HIS^? ULMNm 3 1qfl_c00 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.30 A TRANSFORM 0.3322 -0.2546 0.9082 -0.6044 0.6818 0.4122 0.7241 0.6858 -0.0726 18.106 1.551 -13.905 A 348 HIS A 184 HIS^? A 378 CYH A 145 CYH^? A 380 GLY A 143 GLY^? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 3 3 RMSD = 1.30 A TRANSFORM -0.9425 -0.3321 -0.0370 0.2457 -0.7640 0.5966 0.2264 -0.5532 -0.8017 109.175 32.323 -30.277 B 311 HIS A 184 HIS^? B 341 GLU A 142 GLU^? B 356 HIS A 183 HIS^? ULMNm 3 1qfl_c01 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.32 A TRANSFORM -0.3400 0.2551 -0.9052 0.5967 -0.6854 -0.4173 0.7269 0.6820 -0.0809 24.352 -1.408 -13.990 B 348 HIS A 184 HIS^? B 378 CYH A 145 CYH^? B 380 GLY A 143 GLY^? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 2 3 RMSD = 1.32 A TRANSFORM -0.3552 0.8841 -0.3035 -0.2334 0.2305 0.9447 -0.9052 -0.4064 -0.1245 79.594 80.705 109.949 A 382 ARG A 106 ARG^? A 451 GLU A 11 GLU~? A 540 GLU A 12 GLU~? ULMNm 3 1qfl_c03 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.32 A TRANSFORM -0.7200 0.6935 -0.0253 0.0300 0.0676 0.9973 -0.6933 -0.7173 0.0695 26.183 -1.501 82.310 D 348 HIS A 184 HIS^? D 378 CYH A 145 CYH^? D 380 GLY A 143 GLY^? ULMNm 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 2 3 RMSD = 1.33 A TRANSFORM 0.1567 0.9803 -0.1199 -0.4735 -0.0320 -0.8802 0.8667 -0.1947 -0.4592 -3.793 23.242 23.756 B 145 LYS A 120 LYS~? B 177 GLU A 113 GLU~? B 201 LEU A 116 LEU~? ULMNm 3 1pow_c03 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 2 3 RMSD = 1.34 A TRANSFORM -0.2372 0.5211 -0.8199 -0.0920 -0.8522 -0.5150 0.9671 0.0467 -0.2501 -24.373 106.527 -5.153 B 264 ARG A 106 ARG^? B 479 PHE A 8 PHE~? B 483 GLU A 12 GLU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 8 3 RMSD = 1.34 A TRANSFORM 0.2439 0.8173 0.5220 0.6739 -0.5299 0.5149 -0.6974 -0.2261 0.6800 -4.912 28.535 63.380 179 ASP A 92 ASP.? 227 GLU A 185 GLU^? 289 ASP A 97 ASP~? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 3 3 RMSD = 1.34 A TRANSFORM 0.1839 -0.0513 -0.9816 0.0220 0.9986 -0.0480 -0.9827 0.0128 -0.1848 2.790 37.948 53.420 B 40 HIS A 183 HIS^? B 58 GLU A 185 GLU^? B 92 HIS A 150 HIS^? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 1 3 RMSD = 1.34 A TRANSFORM 0.1541 0.2186 0.9636 -0.5863 -0.7648 0.2673 -0.7953 0.6061 -0.0103 -8.075 11.938 35.781 A 50 HIS A 150 HIS^? A 96 GLU A 157 GLU~? A 137 HIS A 183 HIS^? ULMNm 3 1pow_c02 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 2 3 RMSD = 1.36 A TRANSFORM 0.2310 -0.5037 0.8324 -0.6688 0.5392 0.5119 0.7067 0.6750 0.2123 14.944 62.509 -24.461 A 264 ARG A 106 ARG^? A 479 PHE A 8 PHE~? A 483 GLU A 12 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.36 A TRANSFORM 0.0040 0.0452 0.9990 -0.8057 0.5919 -0.0235 0.5924 0.8047 -0.0388 7.106 30.564 117.815 C 70 ALA A 98 ALA.? C 126 LEU A 100 LEU^? C 158 GLU A 88 GLU.? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 2 3 RMSD = 1.37 A TRANSFORM 0.8512 0.5021 0.1526 -0.0154 0.3146 -0.9491 0.5246 -0.8055 -0.2755 -27.881 3.569 -17.828 A 50 HIS A 183 HIS^? A 96 GLU A 185 GLU^? A 137 HIS A 150 HIS^? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.38 A TRANSFORM 0.2095 -0.7216 0.6599 -0.9339 0.0523 0.3537 0.2897 0.6904 0.6629 -6.728 55.247 -6.279 A 40 HIS A 150 HIS^? A 58 GLU A 157 GLU~? A 92 HIS A 183 HIS^? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 2 3 RMSD = 1.38 A TRANSFORM -0.4098 0.9014 -0.1396 0.1004 -0.1075 -0.9891 0.9066 0.4194 0.0464 83.982 42.903 90.426 B 382 ARG A 106 ARG^? B 451 GLU A 11 GLU~? B 540 GLU A 12 GLU~? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 RMSD = 1.39 A TRANSFORM -0.5393 0.3836 0.7497 -0.0018 0.8897 -0.4566 0.8421 0.2476 0.4791 30.305 -2.076 40.435 A 263 HIS A 159 HIS~? D 59 GLU A 185 GLU^? D 128 HIS A 165 HIS~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.39 A TRANSFORM 0.7457 -0.4590 -0.4830 0.4240 -0.2322 0.8754 0.5139 0.8576 -0.0215 -40.727 15.230 120.486 A 70 ALA A 98 ALA.? A 126 LEU A 100 LEU^? A 158 GLU A 88 GLU.? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 2 3 RMSD = 1.41 A TRANSFORM 0.2607 -0.4193 -0.8696 0.1581 -0.8700 0.4669 0.9524 0.2592 0.1605 2.690 17.432 -21.164 41 HIS A 183 HIS^? 62 GLU A 185 GLU^? 101 HIS A 150 HIS^? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 5 3 RMSD = 1.42 A TRANSFORM 0.7606 -0.4665 -0.4515 -0.6483 -0.5828 -0.4899 0.0346 -0.6653 0.7458 -20.653 29.672 76.932 B 59 GLU A 185 GLU^? B 128 HIS A 165 HIS~? C 263 HIS A 159 HIS~? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.44 A TRANSFORM -0.8282 -0.5330 0.1730 0.4981 -0.5588 0.6630 0.2567 -0.6353 -0.7284 30.414 9.208 7.935 B 40 HIS A 150 HIS^? B 58 GLU A 157 GLU~? B 92 HIS A 183 HIS^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.45 A TRANSFORM -0.6898 -0.3678 -0.6237 -0.5554 -0.2839 0.7816 0.4645 -0.8855 0.0084 84.986 106.009 17.513 229 ASP A 97 ASP~? 264 GLU A 157 GLU~? 328 ASP A 42 ASP.? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.47 A TRANSFORM 0.3446 0.9366 -0.0633 0.7604 -0.3181 -0.5662 0.5504 -0.1470 0.8219 42.172 -11.273 -30.833 A 261 GLY A 43 GLY~? B 17 GLN A 47 GLN~? B 140 GLU A 44 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.48 A TRANSFORM 0.9039 -0.3662 0.2209 -0.1383 0.2385 0.9612 0.4047 0.8995 -0.1650 -41.446 13.917 -14.242 141 ASP A 95 ASP~? 166 GLY A 83 GLY^? 169 GLU A 142 GLU^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.50 A TRANSFORM 0.0980 -0.6186 -0.7796 0.5440 0.6893 -0.4785 -0.8333 0.3772 -0.4041 0.679 44.670 76.241 179 ASP A 40 ASP.? 227 GLU A 157 GLU~? 289 ASP A 95 ASP~? ULMNm 3 1uaq_c00 CYTOSINE DEAMINASE user 1 3 RMSD = 1.50 A TRANSFORM -0.1020 -0.7314 0.6743 -0.7802 -0.3618 -0.5103 -0.6172 0.5781 0.5337 -5.932 10.397 29.988 A 64 GLU A 144 GLU^? A 89 SER A 208 SER.? A 91 CYH A 145 CYH^?