*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 0.85 A TRANSFORM -0.2276 -0.9447 -0.2359 -0.6919 0.3274 -0.6435 0.6852 0.0168 -0.7282 26.186 25.381 -3.585 141 ASP A 7 ASP~? 166 GLY A 72 GLY.? 169 GLU A 67 GLU.? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 1 3 RMSD = 0.87 A TRANSFORM 0.0957 -0.7441 -0.6612 -0.3913 -0.6389 0.6624 -0.9153 0.1953 -0.3523 -5.209 71.768 74.952 D 130 SER A 63 SER~? D 166 PHE A 76 PHE.? D 182 PHE A 110 PHE.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 1 3 RMSD = 0.87 A TRANSFORM 0.1017 0.9720 0.2121 -0.3795 -0.1591 0.9114 0.9196 -0.1732 0.3527 -33.206 63.755 22.180 C 130 SER A 63 SER~? C 166 PHE A 76 PHE.? C 182 PHE A 110 PHE.? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 1 3 RMSD = 0.88 A TRANSFORM -0.6756 -0.6285 -0.3854 0.3725 0.1601 -0.9141 0.6362 -0.7611 0.1260 -3.804 37.967 80.095 A 130 SER A 63 SER~? A 166 PHE A 76 PHE.? A 182 PHE A 110 PHE.? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 1 3 RMSD = 0.90 A TRANSFORM 0.5196 0.4425 0.7309 0.3917 0.6369 -0.6640 -0.7593 0.6313 0.1575 -59.292 29.864 102.144 B 130 SER A 63 SER~? B 166 PHE A 76 PHE.? B 182 PHE A 110 PHE.? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.16 A TRANSFORM 0.6682 0.5646 0.4846 0.6959 -0.2438 -0.6755 -0.2632 0.7886 -0.5558 20.880 -7.024 22.710 A 261 GLY A 43 GLY~? B 17 GLN A 47 GLN~? B 140 GLU A 44 GLU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 RMSD = 1.20 A TRANSFORM 0.0236 -0.4256 -0.9046 0.6269 -0.6985 0.3450 -0.7787 -0.5753 0.2504 5.909 31.001 66.821 179 ASP A 40 ASP.? 227 GLU A 185 GLU^? 289 ASP A 95 ASP~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.23 A TRANSFORM -0.1162 -0.7899 0.6022 -0.3243 -0.5429 -0.7747 0.9388 -0.2853 -0.1931 24.579 21.423 121.649 C 70 ALA A 119 ALA~? C 126 LEU A 116 LEU~? C 158 GLU A 117 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.26 A TRANSFORM -0.2061 -0.0806 -0.9752 0.3307 0.9322 -0.1470 0.9209 -0.3528 -0.1655 -20.125 -28.109 124.806 B 70 ALA A 119 ALA~? B 126 LEU A 116 LEU~? B 158 GLU A 117 GLU~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 6 3 RMSD = 1.26 A TRANSFORM -0.7787 0.5222 0.3477 -0.6059 -0.7698 -0.2007 0.1629 -0.3669 0.9159 87.625 113.077 30.123 229 ASP A 97 ASP~? 264 GLU A 185 GLU^? 328 ASP A 92 ASP.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.27 A TRANSFORM 0.4234 0.8354 0.3506 0.0886 -0.4233 0.9017 0.9016 -0.3507 -0.2532 -41.249 35.146 123.792 A 70 ALA A 119 ALA~? A 126 LEU A 116 LEU~? A 158 GLU A 117 GLU~? ULMNm 3 2bsq_d00 TRANSCRIPTION user 1 3 RMSD = 1.29 A TRANSFORM -0.4554 -0.5440 -0.7047 0.6806 0.2975 -0.6695 0.5738 -0.7846 0.2348 21.004 -51.532 17.634 E 3 SER A 103 SER^? E 5 VAL A 35 VAL^? E 7 ARG A 134 ARG.? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 1 3 RMSD = 1.32 A TRANSFORM 0.6581 0.7073 0.2581 -0.5429 0.2083 0.8136 0.5217 -0.6755 0.5211 59.659 87.575 82.522 A 451 GLU A 11 GLU~? A 504 TYR A 16 TYR~? A 540 GLU A 12 GLU~? ULMNm 3 2dbt_c01 CHITINASE C user 5 3 RMSD = 1.33 A TRANSFORM 0.1872 -0.0165 0.9822 0.9572 0.2276 -0.1786 -0.2206 0.9736 0.0584 52.911 37.238 21.717 B 147 GLU A 144 GLU^? B 156 GLU A 142 GLU^? B 194 ASN A 175 ASN.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 RMSD = 1.35 A TRANSFORM -0.8357 0.2649 0.4810 -0.4175 -0.8756 -0.2431 0.3568 -0.4040 0.8423 88.764 102.642 20.144 229 ASP A 97 ASP~? 264 GLU A 157 GLU~? 328 ASP A 92 ASP.? ULMNm 3 2dbt_c02 CHITINASE C user 6 3 RMSD = 1.39 A TRANSFORM 0.1521 -0.7250 0.6718 -0.9772 -0.2120 -0.0076 0.1479 -0.6553 -0.7407 46.655 53.549 1.668 C 147 GLU A 144 GLU^? C 156 GLU A 142 GLU^? C 194 ASN A 175 ASN.? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.39 A TRANSFORM 0.0626 -0.4811 -0.8744 0.8380 -0.4505 0.3078 -0.5420 -0.7521 0.3750 3.472 21.514 53.297 179 ASP A 40 ASP.? 227 GLU A 157 GLU~? 289 ASP A 95 ASP~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.42 A TRANSFORM 0.3571 0.0486 -0.9328 0.6834 -0.6944 0.2254 -0.6368 -0.7179 -0.2812 -5.190 29.412 63.617 179 ASP A 42 ASP.? 227 GLU A 185 GLU^? 289 ASP A 97 ASP~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 1 3 RMSD = 1.43 A TRANSFORM 0.4963 -0.7393 0.4551 -0.7959 -0.1780 0.5787 -0.3469 -0.6494 -0.6767 -24.307 21.882 14.506 A 50 HIS A 150 HIS^? A 96 GLU A 157 GLU~? A 137 HIS A 183 HIS^? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.47 A TRANSFORM -0.0219 -0.0835 0.9963 -0.6367 -0.7671 -0.0783 0.7708 -0.6360 -0.0363 4.218 41.189 -29.034 A 40 HIS A 150 HIS^? A 58 GLU A 157 GLU~? A 92 HIS A 183 HIS^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 1 3 RMSD = 1.48 A TRANSFORM -0.1419 -0.8621 -0.4864 0.8029 0.1872 -0.5660 0.5790 -0.4708 0.6656 52.153 -27.851 9.881 A 44 HIS A 183 HIS^? A 45 HIS A 184 HIS^? A 261 PHE A 154 PHE~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 1 3 RMSD = 1.48 A TRANSFORM 0.5805 0.6642 0.4710 0.6459 -0.0235 -0.7630 -0.4958 0.7472 -0.4427 4.422 67.318 34.634 A 228 ASP A 7 ASP~? A 260 ASP A 109 ASP.? A 329 ASP A 75 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.49 A TRANSFORM 0.9258 -0.3621 0.1081 0.0253 0.3446 0.9384 -0.3770 -0.8661 0.3282 -31.623 -25.772 -30.602 B 250 ALA A 98 ALA.? B 251 GLY A 39 GLY.? B 252 ASP A 40 ASP.?