*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 3 3 RMSD = 0.83 A TRANSFORM 0.6131 0.7323 0.2963 0.7535 -0.6547 0.0590 -0.2372 -0.1872 0.9533 -96.272 8.887 -33.916 A 10 ASP A 287 ASP.? A 186 ASN A 124 ASN~? A 260 ALA A 165 ALA~? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 3 3 RMSD = 0.99 A TRANSFORM 0.1713 0.7856 -0.5945 -0.9533 0.2844 0.1012 -0.2486 -0.5494 -0.7977 8.249 152.944 143.692 A 225 HIS A 280 HIS~? A 259 TYR A 239 TYR~? A 552 ASP A 38 ASP.? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.15 A TRANSFORM 0.0015 -0.9954 0.0959 0.2067 -0.0935 -0.9739 -0.9784 -0.0212 -0.2056 31.199 96.445 73.700 A 220 HIS A 93 HIS~? A 250 ASP A 94 ASP~? A 328 SER A 86 SER~? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.18 A TRANSFORM 0.9952 -0.0389 0.0893 -0.0419 -0.9986 0.0314 -0.0880 0.0350 0.9955 -133.359 134.924 -77.013 B 220 HIS A 93 HIS~? B 250 ASP A 94 ASP~? B 328 SER A 86 SER~? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.19 A TRANSFORM 0.1574 -0.1644 -0.9738 0.9793 -0.1008 0.1753 0.1269 0.9812 -0.1451 10.519 -35.980 -108.195 C 220 HIS A 93 HIS~? C 250 ASP A 94 ASP~? C 328 SER A 86 SER~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.21 A TRANSFORM -0.3379 0.2645 0.9032 0.8383 0.5209 0.1611 0.4279 -0.8116 0.3977 -60.748 -79.331 37.038 D 603 HIS A 46 HIS~? D 646 ASP A 49 ASP~? D 739 GLY A 37 GLY.? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.23 A TRANSFORM 0.7113 0.5237 -0.4688 0.6105 -0.7909 0.0427 0.3484 0.3166 0.8823 -116.966 74.876 -119.249 B 220 HIS A 93 HIS~? B 250 ASP A 94 ASP~? B 328 SER A 21 SER~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.24 A TRANSFORM 0.5048 -0.7708 0.3887 -0.8216 -0.2907 0.4904 0.2650 0.5669 0.7800 -65.214 96.907 -39.668 B 34 SER A 260 SER~? B 37 ASN A 224 ASN~? B 45 THR A 212 THR~? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.24 A TRANSFORM -0.2127 -0.3741 -0.9027 0.7767 0.4958 -0.3885 -0.5929 0.7837 -0.1851 45.915 -27.164 -42.383 C 220 HIS A 93 HIS~? C 250 ASP A 94 ASP~? C 328 SER A 21 SER~? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.25 A TRANSFORM 0.6645 -0.7437 0.0726 -0.2254 -0.2922 -0.9294 -0.7124 -0.6013 0.3619 -30.414 137.053 59.142 A 220 HIS A 93 HIS~? A 250 ASP A 94 ASP~? A 328 SER A 21 SER~? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 4 3 RMSD = 1.29 A TRANSFORM -0.0989 0.7507 -0.6532 -0.8430 0.2855 0.4558 -0.5287 -0.5957 -0.6047 38.009 112.257 152.768 A 225 HIS A 280 HIS~? A 259 TYR A 239 TYR~? A 552 ASP A 49 ASP~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.33 A TRANSFORM -0.5133 0.1608 -0.8430 -0.1097 -0.9865 -0.1215 0.8512 -0.0301 -0.5240 90.708 136.449 12.519 C 603 HIS A 46 HIS~? C 646 ASP A 49 ASP~? C 739 GLY A 37 GLY.? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.37 A TRANSFORM -0.5369 0.1030 -0.8374 -0.0410 -0.9945 -0.0960 0.8427 0.0172 -0.5381 98.752 130.574 -52.265 A 603 HIS A 46 HIS~? A 646 ASP A 49 ASP~? A 739 GLY A 37 GLY.? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 RMSD = 1.38 A TRANSFORM 0.9239 -0.1485 -0.3526 -0.1802 -0.9819 -0.0588 0.3375 -0.1178 0.9339 -35.492 63.091 -39.584 A 263 HIS A 243 HIS.? D 59 GLU A 273 GLU~? D 128 HIS A 280 HIS~? ULMNm 3 1cns_c01 CHITINASE user 1 3 RMSD = 1.39 A TRANSFORM 0.6930 0.1170 -0.7114 0.4624 0.6848 0.5631 -0.5531 0.7192 -0.4205 21.357 -139.549 81.322 B 67 GLU A 153 GLU.? B 89 GLU A 284 GLU.? B 120 SER A 182 SER.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 3 3 RMSD = 1.39 A TRANSFORM -0.8799 0.1007 -0.4644 0.1501 -0.8683 -0.4727 0.4509 0.4856 -0.7489 121.098 79.180 -6.112 B 46 HIS A 127 HIS~? B 163 ALA A 165 ALA~? B 182 SER A 161 SER~? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 1 3 RMSD = 1.40 A TRANSFORM 0.1606 0.8212 -0.5475 -0.9809 0.0711 -0.1810 0.1097 -0.5661 -0.8170 -55.136 143.766 58.629 A 81 ASP A 38 ASP.? A 99 GLY A 37 GLY.? A 125 ASN A 36 ASN.? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.40 A TRANSFORM -0.3198 0.4962 0.8072 0.9123 0.3913 0.1209 0.2558 -0.7750 0.5778 -70.614 -72.681 -22.809 B 603 HIS A 46 HIS~? B 646 ASP A 49 ASP~? B 739 GLY A 37 GLY.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.41 A TRANSFORM 0.7997 0.2357 0.5522 0.5581 -0.6308 -0.5391 -0.2212 -0.7393 0.6360 -134.128 29.514 35.858 A 18 SER A 13 SER.? A 20 HIS A 11 HIS.? A 22 LEU A 71 LEU~? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 RMSD = 1.42 A TRANSFORM -0.7150 0.3069 0.6282 -0.4822 0.4342 -0.7609 0.5063 0.8469 0.1625 1.989 100.315 -20.428 B 59 GLU A 273 GLU~? B 128 HIS A 280 HIS~? C 263 HIS A 243 HIS.? ULMNm 3 1pjq_c03 SIROHEME SYNTHASE user 1 3 RMSD = 1.42 A TRANSFORM 0.2908 -0.7435 0.6022 -0.0885 -0.6476 -0.7569 -0.9527 -0.1668 0.2541 -19.165 247.426 105.787 B 248 ASP A 94 ASP~? B 270 LYS A 61 LYS~? B 382 MET A 125 MET~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.44 A TRANSFORM 0.8542 0.1177 -0.5064 -0.0610 0.9900 0.1273 -0.5163 0.0778 -0.8529 -41.075 -70.362 243.423 C 70 ALA A 72 ALA.? C 126 LEU A 71 LEU~? C 158 GLU A 68 GLU~? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 RMSD = 1.44 A TRANSFORM 0.1212 0.8128 0.5699 0.8489 -0.3824 0.3649 -0.5145 -0.4395 0.7363 -58.258 -29.369 88.379 10 ASN A 36 ASN.? 20 HIS A 35 HIS.? 93 ASP A 31 ASP~? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.44 A TRANSFORM 0.9408 -0.1945 0.2776 0.0885 0.9316 0.3526 0.3272 0.3072 -0.8936 -105.534 -63.490 27.917 E 49 ASP A 94 ASP~? E 86 HIS A 93 HIS~? E 250 ALA A 104 ALA~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.44 A TRANSFORM -0.6154 -0.7397 0.2724 -0.2308 0.4995 0.8350 0.7537 -0.4510 0.4781 129.838 -80.626 -65.361 A 67 ASP A 202 ASP~? A 68 ALA A 203 ALA~? A 72 LEU A 242 LEU.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.44 A TRANSFORM 0.4838 0.7157 0.5038 0.5148 0.2329 -0.8251 0.7078 -0.6585 0.2557 -135.653 -6.538 -26.674 A 18 SER A 13 SER.? A 20 HIS A 11 HIS.? A 22 LEU A 76 LEU.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.45 A TRANSFORM -0.4195 -0.9053 0.0663 0.7562 -0.3890 -0.5262 -0.5021 0.1706 -0.8478 81.575 27.406 235.207 A 70 ALA A 72 ALA.? A 126 LEU A 71 LEU~? A 158 GLU A 68 GLU~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.45 A TRANSFORM 0.1880 -0.1742 0.9666 -0.9756 -0.1465 0.1634 -0.1132 0.9737 0.1975 -10.944 89.851 -78.191 A 261 GLY A 171 GLY~? B 17 GLN A 173 GLN~? B 140 GLU A 175 GLU.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.46 A TRANSFORM -0.4903 0.8014 0.3427 -0.7433 -0.5898 0.3156 -0.4550 0.1000 -0.8849 -64.247 82.871 240.060 B 70 ALA A 72 ALA.? B 126 LEU A 71 LEU~? B 158 GLU A 68 GLU~? ULMNm 3 1coy_c00 CHOLESTEROL OXIDASE (E.C.1.1.3.6) COuser 1 3 RMSD = 1.47 A TRANSFORM 0.2075 -0.9315 -0.2986 0.9191 0.0811 0.3856 0.3350 0.3545 -0.8730 50.111 -83.730 40.972 361 GLU A 68 GLU~? 447 HIS A 127 HIS~? 485 ASN A 92 ASN~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.48 A TRANSFORM 0.1488 0.0651 -0.9867 -0.5055 0.8626 -0.0193 -0.8499 -0.5017 -0.1613 73.467 -2.048 269.753 C 70 ALA A 253 ALA~? C 126 LEU A 251 LEU~? C 158 GLU A 273 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 12 3 RMSD = 1.49 A TRANSFORM 0.2903 -0.8149 0.5017 0.3586 -0.3935 -0.8465 -0.8872 -0.4256 -0.1780 -33.509 93.221 269.745 A 70 ALA A 253 ALA~? A 126 LEU A 251 LEU~? A 158 GLU A 273 GLU~? ULMNm 3 1c82_c02 HYALURONATE LYASE user 1 3 RMSD = 1.49 A TRANSFORM 0.3673 0.1293 -0.9211 -0.7769 0.5871 -0.2273 -0.5114 -0.7991 -0.3161 36.828 9.204 144.032 A 399 HIS A 93 HIS~? A 408 TYR A 128 TYR~? A 480 ARG A 144 ARG~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 3 3 RMSD = 1.49 A TRANSFORM 0.9696 0.0465 0.2402 0.2420 -0.0395 -0.9695 0.0356 -0.9981 0.0495 -37.609 80.858 79.227 A 261 GLY A 174 GLY.? B 17 GLN A 176 GLN^? B 140 GLU A 194 GLU.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.49 A TRANSFORM 0.4141 -0.2717 0.8687 -0.6555 0.5731 0.4917 0.6315 0.7731 -0.0592 -49.364 21.605 -87.643 A 229 ALA A 225 ALA~? A 257 ALA A 228 ALA~? A 328 ASP A 233 ASP~? ULMNm 3 2ace_c00 ACETYLCHOLINESTERASE user 2 3 RMSD = 1.49 A TRANSFORM -0.8684 -0.4858 0.0988 0.1604 -0.0867 0.9832 0.4691 -0.8697 -0.1532 98.304 -28.571 82.219 200 SER A 238 SER~? 327 GLU A 284 GLU.? 440 HIS A 280 HIS~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.50 A TRANSFORM -0.7556 -0.5304 -0.3845 -0.5520 0.8315 -0.0623 -0.3528 -0.1652 0.9210 28.690 -4.000 17.150 F 49 ASP A 94 ASP~? F 86 HIS A 93 HIS~? F 250 ALA A 104 ALA~? ULMNm 3 2dbt_c00 CHITINASE C user 1 3 RMSD = 1.50 A TRANSFORM -0.8448 0.5153 0.1441 0.5179 0.8552 -0.0213 0.1342 -0.0566 0.9893 100.495 -73.597 -63.503 A 147 GLU A 68 GLU~? A 156 GLU A 70 GLU~? A 194 ASN A 10 ASN.?