*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1jxa_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 0.86 A TRANSFORM 0.7645 -0.4825 0.4275 0.0249 -0.6406 -0.7675 0.6441 0.5974 -0.4777 -18.066 107.684 23.061 B 1 CYH A 233 CYH.? B 98 ASN A 42 ASN.? B 99 GLY A 124 GLY.? ULMNm 3 1jxa_c04 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 0.92 A TRANSFORM 0.3341 0.0671 -0.9402 0.9027 0.2643 0.3396 0.2713 -0.9621 0.0277 34.329 -24.758 90.656 C 1 CYH A 233 CYH.? C 98 ASN A 42 ASN.? C 99 GLY A 124 GLY.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 7 3 RMSD = 0.95 A TRANSFORM -0.9462 0.2492 -0.2065 0.1575 0.9120 0.3788 0.2827 0.3259 -0.9021 80.245 -26.872 23.697 A 67 ASP A 261 ASP^? A 68 ALA A 81 ALA.? A 72 LEU A 80 LEU.? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.01 A TRANSFORM 0.2639 0.4984 0.8258 0.4459 -0.8222 0.3537 0.8553 0.2749 -0.4392 -5.551 19.243 7.557 A 261 GLY A 207 GLY~? B 17 GLN A 205 GLN~? B 140 GLU A 204 GLU~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.13 A TRANSFORM 0.3236 -0.8642 -0.3853 -0.3760 0.2562 -0.8905 0.8683 0.4330 -0.2421 57.543 53.808 34.872 A 316 ALA A 161 ALA.? A 317 GLY A 162 GLY.? A 318 ASP A 53 ASP~? ULMNm 3 1e3v_c03 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.19 A TRANSFORM 0.7701 0.5343 -0.3486 0.3264 0.1394 0.9349 0.5481 -0.8337 -0.0670 -9.954 -63.982 52.499 B 16 TYR A 93 TYR^? B 40 ASP A 85 ASP.? B 103 ASP A 107 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 16 3 RMSD = 1.21 A TRANSFORM -0.6074 0.7097 0.3568 0.7939 0.5578 0.2419 -0.0274 0.4302 -0.9023 42.377 -3.078 38.265 A 229 ALA A 113 ALA~? A 257 ALA A 111 ALA~? A 328 ASP A 107 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.21 A TRANSFORM -0.6660 0.2148 0.7143 -0.4056 -0.9080 -0.1051 0.6260 -0.3598 0.6919 118.063 44.375 -26.780 A 316 ALA A 161 ALA.? A 317 GLY A 162 GLY.? A 318 ASP A 53 ASP~? ULMNm 3 1e3v_c02 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.21 A TRANSFORM 0.8182 0.4502 -0.3575 -0.3309 -0.1398 -0.9333 -0.4701 0.8819 0.0346 -11.437 26.833 90.205 A 16 TYR A 93 TYR^? A 40 ASP A 85 ASP.? A 103 ASP A 107 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.21 A TRANSFORM 0.0724 0.9709 0.2282 -0.9462 0.1392 -0.2921 -0.3154 -0.1948 0.9288 -2.872 -1.383 -31.951 A 250 ALA A 161 ALA.? A 251 GLY A 162 GLY.? A 252 ASP A 53 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.22 A TRANSFORM 0.9494 0.0768 0.3045 0.0274 -0.9862 0.1631 0.3128 -0.1465 -0.9385 -3.636 -7.897 -12.678 B 250 ALA A 161 ALA.? B 251 GLY A 162 GLY.? B 252 ASP A 53 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.24 A TRANSFORM -0.1858 0.7151 0.6739 -0.7307 0.3580 -0.5813 -0.6569 -0.6004 0.4561 12.733 66.991 31.406 A 229 ALA A 19 ALA~? A 257 ALA A 35 ALA.? A 328 ASP A 261 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.26 A TRANSFORM 0.9397 -0.0810 0.3322 -0.2837 0.3577 0.8897 -0.1909 -0.9303 0.3132 13.100 -142.894 -129.412 A 420 ALA A 240 ALA~? B 182 GLY A 99 GLY.? B 183 GLY A 245 GLY.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.27 A TRANSFORM 0.8889 -0.2574 -0.3789 -0.4226 -0.7803 -0.4611 -0.1770 0.5700 -0.8023 35.901 94.276 -22.247 D 465 GLY A 162 GLY.? D 501 ASP A 72 ASP.? E 367 TYR A 152 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.27 A TRANSFORM 0.8770 0.4733 0.0832 -0.4236 0.6795 0.5990 0.2269 -0.5606 0.7964 -12.013 -7.274 -44.064 A 465 GLY A 162 GLY.? A 501 ASP A 72 ASP.? B 367 TYR A 152 TYR^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.29 A TRANSFORM -0.9110 0.0159 -0.4120 0.3661 -0.4281 -0.8262 -0.1895 -0.9036 0.3842 100.409 -1.520 -29.935 B 37 ASP A 85 ASP.? B 56 ILE A 250 ILE^? B 82 TYR A 93 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.29 A TRANSFORM -0.9089 0.0104 -0.4168 0.3668 -0.4553 -0.8113 -0.1983 -0.8903 0.4100 97.666 14.644 -2.945 A 37 ASP A 85 ASP.? A 56 ILE A 250 ILE^? A 82 TYR A 93 TYR^? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.29 A TRANSFORM -0.2620 0.6860 0.6788 0.6310 -0.4104 0.6583 0.7302 0.6008 -0.3253 -8.965 1.138 56.722 A 241 ASP A 89 ASP.? A 279 GLU A 103 GLU^? A 369 ASP A 261 ASP^? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 1 3 RMSD = 1.30 A TRANSFORM -0.1249 0.9756 0.1805 0.8992 0.0344 0.4362 0.4193 0.2168 -0.8816 -1.366 -49.210 27.518 B 170 SER A 147 SER.? B 239 VAL A 149 VAL.? B 413 ASN A 148 ASN.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.30 A TRANSFORM -0.7352 0.3985 -0.5484 -0.2431 -0.9101 -0.3355 -0.6328 -0.1134 0.7660 71.051 -74.359 -153.004 A 420 ALA A 249 ALA^? B 182 GLY A 245 GLY.? B 183 GLY A 99 GLY.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.30 A TRANSFORM 0.9220 -0.3350 0.1943 -0.3356 -0.9415 -0.0308 0.1933 -0.0369 -0.9804 3.804 57.418 29.949 A 229 ALA A 16 ALA.? A 257 ALA A 19 ALA~? A 328 ASP A 89 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.30 A TRANSFORM -0.2450 -0.9560 -0.1613 0.6075 -0.2810 0.7429 -0.7556 0.0840 0.6497 32.765 -33.549 7.435 141 ASP A 89 ASP.? 166 GLY A 33 GLY.? 169 GLU A 135 GLU.? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 1 3 RMSD = 1.30 A TRANSFORM 0.1284 -0.9728 -0.1925 0.9095 0.0382 0.4138 -0.3953 -0.2283 0.8898 107.195 -14.206 26.594 A 170 SER A 147 SER.? A 239 VAL A 149 VAL.? A 413 ASN A 148 ASN.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 4 3 RMSD = 1.31 A TRANSFORM 0.0630 0.7142 0.6971 0.2575 -0.6864 0.6801 0.9642 0.1366 -0.2272 3.867 59.707 11.033 A 228 ASP A 72 ASP.? A 260 ASP A 85 ASP.? A 329 ASP A 69 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 RMSD = 1.35 A TRANSFORM 0.8078 0.3314 -0.4875 -0.5210 0.0145 -0.8534 -0.2758 0.9434 0.1844 13.887 72.768 -7.178 A 229 ALA A 35 ALA.? A 257 ALA A 15 ALA.? A 328 ASP A 261 ASP^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 1 3 RMSD = 1.36 A TRANSFORM -0.3687 -0.5037 -0.7812 0.9136 -0.3513 -0.2047 -0.1713 -0.7892 0.5898 68.188 60.869 31.588 A 228 ASP A 69 ASP^? A 260 ASP A 85 ASP.? A 329 ASP A 72 ASP.? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 1.37 A TRANSFORM -0.8457 0.5310 -0.0538 -0.4425 -0.7540 -0.4854 -0.2983 -0.3867 0.8726 11.728 33.643 -8.507 B 99 ARG A 163 ARG.? B 101 ASP A 53 ASP~? B 132 ASP A 49 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 RMSD = 1.37 A TRANSFORM 0.6515 0.7581 0.0278 -0.6062 0.5423 -0.5817 -0.4561 0.3621 0.8129 -1.955 58.517 -4.410 A 229 ALA A 19 ALA~? A 257 ALA A 15 ALA.? A 328 ASP A 261 ASP^? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 1.37 A TRANSFORM 0.8491 -0.5244 0.0633 0.4027 0.7201 0.5650 -0.3419 -0.4543 0.8226 10.815 -10.178 -6.520 A 99 ARG A 163 ARG.? A 101 ASP A 53 ASP~? A 132 ASP A 49 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.39 A TRANSFORM -0.8596 0.5104 -0.0244 -0.4408 -0.7648 -0.4698 -0.2585 -0.3931 0.8824 11.074 33.442 -9.078 B 99 ARG A 163 ARG.? B 101 ASP A 53 ASP~? B 132 ASP A 49 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.42 A TRANSFORM 0.8558 -0.5141 0.0580 0.3903 0.7152 0.5798 -0.3396 -0.4735 0.8127 10.957 -10.500 -6.082 A 99 ARG A 163 ARG.? A 101 ASP A 53 ASP~? A 132 ASP A 49 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.43 A TRANSFORM -0.1574 -0.1738 0.9721 -0.9540 -0.2278 -0.1952 0.2554 -0.9581 -0.1300 22.622 76.921 20.862 A 229 ALA A 15 ALA.? A 257 ALA A 35 ALA.? A 328 ASP A 261 ASP^? ULMNm 3 2c7v_c08 PTERIDINE REDUCTASE user 3 3 RMSD = 1.44 A TRANSFORM -0.4649 0.4651 0.7533 0.8757 0.1162 0.4687 0.1305 0.8776 -0.4613 -10.000 -52.046 24.254 A 14 ARG A 97 ARG^? A 161 ASP A 107 ASP.? A 174 TYR A 93 TYR^? ULMNm 3 2c7v_c11 PTERIDINE REDUCTASE user 3 3 RMSD = 1.44 A TRANSFORM 0.4868 -0.4536 -0.7465 0.8472 0.0371 0.5299 -0.2127 -0.8904 0.4024 -6.970 -52.412 18.267 D 14 ARG A 97 ARG^? D 161 ASP A 107 ASP.? D 174 TYR A 93 TYR^? ULMNm 3 2odj_o00 PORIN D user 4 3 RMSD = 1.44 A TRANSFORM 0.2989 -0.2843 0.9110 0.0670 0.9585 0.2772 -0.9519 -0.0218 0.3055 -33.017 -10.902 44.044 A 156 HIS A 256 HIS.? A 208 ASP A 218 ASP.? A 296 SER A 244 SER~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 3 3 RMSD = 1.45 A TRANSFORM 0.7428 -0.2373 0.6261 0.4352 -0.5394 -0.7208 0.5088 0.8079 -0.2974 -37.709 25.098 -40.003 A 49 ASP A 85 ASP.? A 147 THR A 88 THR.? A 294 ASP A 25 ASP~? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.46 A TRANSFORM 0.4213 -0.5013 -0.7557 0.6746 0.7302 -0.1083 0.6061 -0.4642 0.6459 5.634 59.778 67.326 D 137 ARG A 20 ARG~? D 141 THR A 22 THR~? D 235 ASP A 69 ASP^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.46 A TRANSFORM -0.2221 0.6953 -0.6836 -0.1896 -0.7185 -0.6692 -0.9564 -0.0190 0.2914 78.689 68.177 36.977 199 ASP A 107 ASP.? 218 GLU A 135 GLU.? 329 ASP A 85 ASP.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.47 A TRANSFORM 0.8490 0.5212 0.0864 0.0576 0.0711 -0.9958 -0.5252 0.8504 0.0304 4.716 -22.453 -131.679 A 183 GLY A 99 GLY.? B 419 GLY A 245 GLY.? B 420 ALA A 243 ALA~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 RMSD = 1.47 A TRANSFORM 0.6792 0.6674 0.3055 -0.7325 0.6425 0.2249 -0.0462 -0.3766 0.9252 0.140 33.334 -8.901 A 229 ALA A 84 ALA.? A 257 ALA A 81 ALA.? A 328 ASP A 69 ASP^? ULMNm 3 2c7v_c09 PTERIDINE REDUCTASE user 5 3 RMSD = 1.47 A TRANSFORM 0.2506 -0.9164 -0.3120 -0.8445 -0.0494 -0.5332 0.4732 0.3971 -0.7863 -7.985 58.349 19.083 B 14 ARG A 97 ARG^? B 161 ASP A 107 ASP.? B 174 TYR A 93 TYR^? ULMNm 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.48 A TRANSFORM -0.5664 0.2865 0.7727 -0.5906 -0.7951 -0.1380 0.5748 -0.5345 0.6196 1.882 107.171 70.146 B 137 ARG A 20 ARG~? B 141 THR A 22 THR~? B 235 ASP A 69 ASP^? ULMNm 3 2c7v_c10 PTERIDINE REDUCTASE user 3 3 RMSD = 1.49 A TRANSFORM -0.2683 0.9158 0.2988 -0.8781 -0.1050 -0.4667 -0.3961 -0.3876 0.8324 -6.487 58.135 12.651 C 14 ARG A 97 ARG^? C 161 ASP A 107 ASP.? C 174 TYR A 93 TYR^? ULMNm 3 1jxa_c04 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.50 A TRANSFORM -0.1138 -0.9763 0.1842 0.9904 -0.1261 -0.0565 0.0784 0.1760 0.9813 26.209 12.348 24.811 C 1 CYH A 158 CYH.? C 98 ASN A 167 ASN^? C 99 GLY A 166 GLY.?