*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.00 A TRANSFORM 0.5173 0.2503 -0.8183 0.4782 -0.8776 0.0339 -0.7097 -0.4089 -0.5737 56.795 6.757 59.449 A 67 ASP A 141 ASP~? A 68 ALA A 143 ALA^? A 72 LEU A 144 LEU^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.06 A TRANSFORM -0.2736 0.0148 -0.9617 0.9534 -0.1284 -0.2731 -0.1275 -0.9916 0.0210 105.098 -5.244 34.950 199 ASP B 141 ASP~? 218 GLU B 152 GLU^? 329 ASP B 5 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 10 3 RMSD = 1.10 A TRANSFORM -0.4615 0.2603 0.8481 -0.4537 -0.8908 0.0265 0.7624 -0.3726 0.5291 33.064 43.480 -40.604 A 67 ASP B 141 ASP~? A 68 ALA B 143 ALA^? A 72 LEU B 144 LEU^? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.10 A TRANSFORM 0.4192 -0.0237 -0.9076 -0.7849 0.4929 -0.3754 0.4562 0.8698 0.1880 64.695 87.212 -29.493 199 ASP B 141 ASP~? 242 GLU B 29 GLU~? 329 ASP B 5 ASP~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.14 A TRANSFORM -0.4278 -0.0183 0.9037 0.7815 0.4949 0.3799 -0.4542 0.8687 -0.1975 31.299 -2.725 20.681 199 ASP A 141 ASP~? 242 GLU A 29 GLU~? 329 ASP A 5 ASP~? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 1 3 RMSD = 1.15 A TRANSFORM 0.9158 -0.1352 -0.3783 -0.2958 0.4102 -0.8627 0.2718 0.9019 0.3356 -23.154 39.889 -6.493 86 HIS A 25 HIS~? 89 GLU A 29 GLU~? 243 ASN A 107 ASN~? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 4 3 RMSD = 1.17 A TRANSFORM -0.9428 -0.1561 0.2946 0.2055 0.4240 0.8821 -0.2626 0.8921 -0.3676 27.638 -44.574 41.316 86 HIS B 25 HIS~? 89 GLU B 29 GLU~? 243 ASN B 107 ASN~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.19 A TRANSFORM -0.0302 -0.1282 0.9913 -0.8161 0.5758 0.0496 -0.5772 -0.8075 -0.1220 -29.335 103.403 78.182 179 ASP B 5 ASP~? 214 ASP B 74 ASP~? 289 ASP B 141 ASP~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.19 A TRANSFORM -0.1354 0.6639 0.7355 0.2332 -0.7001 0.6749 0.9630 0.2629 -0.0600 71.911 33.787 40.950 B 550 GLN A 91 GLN~? B 591 LEU A 46 LEU.? B 633 GLU A 48 GLU~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.19 A TRANSFORM 0.2777 0.0370 0.9600 -0.9524 -0.1203 0.2802 0.1259 -0.9920 0.0018 12.364 49.547 25.690 199 ASP A 141 ASP~? 218 GLU A 152 GLU^? 329 ASP A 5 ASP~? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 2 3 RMSD = 1.20 A TRANSFORM 0.6615 -0.0219 0.7496 -0.1214 0.9833 0.1359 -0.7401 -0.1809 0.6478 -6.407 43.292 66.877 A 170 SER B 84 SER~? A 239 VAL B 81 VAL~? A 413 ASN B 83 ASN~? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 2 3 RMSD = 1.24 A TRANSFORM -0.6460 0.0269 -0.7628 -0.1316 0.9805 0.1460 0.7519 0.1947 -0.6299 111.499 9.094 -13.524 B 170 SER B 84 SER~? B 239 VAL B 81 VAL~? B 413 ASN B 83 ASN~? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.24 A TRANSFORM -0.6678 -0.4274 -0.6094 -0.1713 0.8850 -0.4329 0.7244 -0.1847 -0.6642 55.911 86.963 36.440 C 137 ARG B 134 ARG~? C 141 THR B 22 THR~? C 235 ASP B 141 ASP~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.24 A TRANSFORM -0.2448 -0.8175 0.5213 0.0604 0.5237 0.8497 -0.9677 0.2396 -0.0788 -30.013 -52.550 198.174 B 70 ALA A 156 ALA~? B 126 LEU A 157 LEU~? B 158 GLU B 105 GLU~? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.25 A TRANSFORM -0.1833 -0.9481 -0.2600 -0.9810 0.1591 0.1114 -0.0643 0.2754 -0.9592 117.939 78.764 21.007 233 ASN A 164 ASN.? 457 GLY A 161 GLY.? 459 GLU A 162 GLU.? ULMNm 3 2dbt_c00 CHITINASE C user 3 3 RMSD = 1.25 A TRANSFORM 0.9440 -0.2139 -0.2512 -0.3179 -0.3856 -0.8662 0.0884 0.8975 -0.4320 51.578 62.781 -10.570 A 147 GLU A 112 GLU~? A 156 GLU B 152 GLU^? A 194 ASN B 164 ASN.? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.25 A TRANSFORM 0.0622 -0.1297 -0.9896 0.8338 0.5517 -0.0199 0.5486 -0.8239 0.1424 40.511 41.261 23.734 179 ASP A 5 ASP~? 214 ASP A 74 ASP~? 289 ASP A 141 ASP~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.25 A TRANSFORM 0.0015 -0.0258 -0.9997 -0.2599 -0.9653 0.0245 -0.9656 0.2597 -0.0082 55.833 26.530 192.998 C 70 ALA A 156 ALA~? C 126 LEU A 157 LEU~? C 158 GLU B 105 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.25 A TRANSFORM -0.0078 -0.0336 0.9994 0.2426 -0.9696 -0.0307 0.9701 0.2423 0.0157 -17.315 8.474 115.938 C 70 ALA B 156 ALA~? C 126 LEU B 157 LEU~? C 158 GLU A 105 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.26 A TRANSFORM 0.1333 0.8708 0.4732 0.1012 0.4630 -0.8806 -0.9859 0.1653 -0.0264 -54.509 61.996 196.010 A 70 ALA A 156 ALA~? A 126 LEU A 157 LEU~? A 158 GLU B 105 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.26 A TRANSFORM -0.1152 0.8766 -0.4672 -0.0981 0.4579 0.8835 0.9885 0.1476 0.0332 -9.880 5.114 116.078 A 70 ALA B 156 ALA~? A 126 LEU B 157 LEU~? A 158 GLU A 105 GLU~? ULMNm 3 1cns_c01 CHITINASE user 2 3 RMSD = 1.30 A TRANSFORM 0.7336 -0.2581 -0.6287 0.6757 0.1784 0.7152 -0.0724 -0.9495 0.3052 22.412 -63.507 55.123 B 67 GLU A 3 GLU~? B 89 GLU B 152 GLU^? B 120 SER B 150 SER^? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.30 A TRANSFORM 0.6575 0.4274 0.6206 0.1800 -0.8888 0.4215 0.7317 -0.1654 -0.6613 -55.896 74.367 35.649 A 137 ARG B 134 ARG~? A 141 THR B 22 THR~? A 235 ASP B 141 ASP~? ULMNm 3 1sll_c00 SIALIDASE L user 2 3 RMSD = 1.31 A TRANSFORM 0.9796 -0.1289 0.1540 -0.0144 0.7198 0.6940 -0.2003 -0.6821 0.7033 -21.309 -28.383 29.410 318 ASP A 141 ASP~? 595 GLU A 3 GLU~? 713 TYR B 153 TYR^? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.32 A TRANSFORM 0.0158 -0.9983 0.0569 0.2009 0.0589 0.9778 -0.9795 -0.0041 0.2015 7.329 2.582 51.560 A 156 HIS A 36 HIS~? A 208 ASP A 75 ASP~? A 296 SER A 44 SER.? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.34 A TRANSFORM 0.6680 -0.4234 0.6120 0.1549 0.8835 0.4422 -0.7279 -0.2006 0.6557 -41.982 41.697 45.514 C 137 ARG A 134 ARG~? C 141 THR A 22 THR~? C 235 ASP A 141 ASP~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 RMSD = 1.35 A TRANSFORM 0.5580 -0.1158 -0.8217 -0.6703 -0.6467 -0.3640 -0.4893 0.7539 -0.4385 47.033 64.102 82.007 A 36 GLU B 152 GLU^? A 47 ASP B 115 ASP^? A 161 TYR A 146 TYR^? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 RMSD = 1.36 A TRANSFORM 0.6904 0.6690 0.2753 -0.4788 0.1372 0.8672 0.5424 -0.7305 0.4150 9.490 21.449 43.518 B 36 GLU B 152 GLU^? B 47 ASP B 115 ASP^? B 161 TYR A 146 TYR^? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.37 A TRANSFORM 0.9697 -0.0382 -0.2411 -0.2374 0.0818 -0.9680 0.0567 0.9959 0.0702 -28.666 8.788 78.096 B 156 HIS A 36 HIS~? B 208 ASP A 75 ASP~? B 296 SER A 44 SER.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.39 A TRANSFORM -0.8706 0.2927 -0.3955 0.3972 -0.0563 -0.9160 -0.2904 -0.9546 -0.0672 81.537 15.662 19.338 A 67 ASP A 75 ASP~? A 68 ALA A 76 ALA~? A 72 LEU A 77 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 8 3 RMSD = 1.40 A TRANSFORM 0.8651 0.2912 0.4085 -0.4137 -0.0466 0.9092 0.2838 -0.9555 0.0802 -17.038 -18.981 -8.928 A 67 ASP B 75 ASP~? A 68 ALA B 76 ALA~? A 72 LEU B 77 LEU~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 2 3 RMSD = 1.40 A TRANSFORM 0.1924 -0.1550 -0.9690 -0.5250 0.8180 -0.2351 0.8291 0.5539 0.0760 1.351 34.598 -20.671 A 14 GLU A 41 GLU.? A 61 GLU A 35 GLU~? A 162 HIS A 90 HIS~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 6 3 RMSD = 1.40 A TRANSFORM 0.8515 0.3316 0.4062 -0.2079 0.9246 -0.3191 -0.4815 0.1873 0.8562 -46.055 18.680 -20.339 A 14 GLU B 152 GLU^? A 61 GLU A 3 GLU~? A 162 HIS B 155 HIS~? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.43 A TRANSFORM -0.6575 0.4239 -0.6229 -0.1637 -0.8873 -0.4311 -0.7354 -0.1815 0.6528 41.980 119.491 45.524 A 137 ARG A 134 ARG~? A 141 THR A 22 THR~? A 235 ASP A 141 ASP~? ULMNm 3 2dbt_c02 CHITINASE C user 2 3 RMSD = 1.43 A TRANSFORM -0.8430 0.5370 0.0329 0.3996 0.5840 0.7066 0.3602 0.6087 -0.7069 56.019 -22.480 -0.079 C 147 GLU A 112 GLU~? C 156 GLU B 152 GLU^? C 194 ASN B 164 ASN.? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 3 3 RMSD = 1.43 A TRANSFORM -0.3628 0.2288 0.9033 0.6165 0.7858 0.0486 -0.6987 0.5746 -0.4261 -33.301 -29.807 44.551 A 14 GLU A 158 GLU~? A 61 GLU A 152 GLU^? A 162 HIS A 155 HIS~? ULMNm 3 1sll_c00 SIALIDASE L user 5 3 RMSD = 1.46 A TRANSFORM -0.9814 -0.1320 -0.1392 0.0001 0.7253 -0.6884 0.1919 -0.6756 -0.7118 67.259 21.849 65.979 318 ASP B 141 ASP~? 595 GLU B 3 GLU~? 713 TYR A 153 TYR^? ULMNm 3 1cns_c01 CHITINASE user 5 3 RMSD = 1.46 A TRANSFORM -0.7333 -0.2792 0.6199 -0.6725 0.1635 -0.7219 0.1002 -0.9462 -0.3076 35.162 42.772 70.504 B 67 GLU B 3 GLU~? B 89 GLU A 152 GLU^? B 120 SER A 150 SER^? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 5 3 RMSD = 1.48 A TRANSFORM -0.1923 -0.1566 0.9688 0.5344 0.8112 0.2372 -0.8230 0.5634 -0.0724 -55.130 -25.283 50.881 A 14 GLU B 41 GLU.? A 61 GLU B 35 GLU~? A 162 HIS B 90 HIS~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.49 A TRANSFORM -0.0167 -0.7769 0.6294 0.6046 -0.5092 -0.6126 0.7964 0.3703 0.4782 1.731 1.986 104.807 C 70 ALA A 143 ALA^? C 126 LEU A 144 LEU^? C 158 GLU B 152 GLU^? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 7 3 RMSD = 1.49 A TRANSFORM 0.4822 0.8121 -0.3287 0.2991 -0.5053 -0.8094 -0.8234 0.2919 -0.4866 21.073 82.481 146.773 A 50 GLN B 91 GLN~? A 91 LEU B 92 LEU~? A 133 GLU B 48 GLU~? ULMNm 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 4 3 RMSD = 1.50 A TRANSFORM 0.5917 -0.6486 -0.4787 0.5112 -0.1573 0.8450 -0.6234 -0.7447 0.2385 34.760 -75.393 86.774 B 137 GLU B 49 GLU~? B 288 HIS A 155 HIS~? B 329 LYS A 160 LYS.? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.50 A TRANSFORM -0.2792 0.4066 0.8699 -0.0098 0.9047 -0.4260 -0.9602 -0.1274 -0.2486 23.469 55.823 89.526 A 50 GLN A 91 GLN~? A 91 LEU A 45 LEU.? A 133 GLU A 48 GLU~?