*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2phk_c03 MC-PEPTIDE user 1 3 RMSD = 0.59 A TRANSFORM 0.2855 0.3074 0.9077 0.4507 0.7928 -0.4103 0.8458 -0.5262 -0.0878 33.585 -0.950 23.464 A 149 ASP A 32 ASP~? A 151 LYS A 30 LYS~? A 154 ASN A 33 ASN~? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 2 3 RMSD = 1.05 A TRANSFORM 0.1029 -0.6038 0.7905 0.3651 0.7622 0.5346 0.9253 -0.2336 -0.2989 13.111 128.687 -20.420 A 461 GLU A 49 GLU^? A 503 TYR A 92 TYR^? A 537 GLU A 42 GLU^? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 1 3 RMSD = 1.08 A TRANSFORM -0.7496 -0.6425 -0.1589 -0.2140 0.0081 0.9768 0.6263 -0.7663 0.1436 30.046 24.959 8.992 E 166 ASP A 32 ASP~? E 168 LYS A 30 LYS~? E 171 ASN A 33 ASN~? ULMNm 3 1vom_c00 MYOSIN user 3 3 RMSD = 1.09 A TRANSFORM 0.9514 -0.0417 0.3050 0.2686 -0.3715 -0.8887 -0.1504 -0.9275 0.3423 34.014 38.380 -18.644 233 ASN A 33 ASN~? 457 GLY A 12 GLY.? 459 GLU A 11 GLU.? ULMNm 3 1zrz_c03 PROTEIN KINASE C, IOTA user 1 3 RMSD = 1.13 A TRANSFORM -0.8475 0.2024 -0.4907 0.3551 0.9033 -0.2407 -0.3945 0.3782 0.8374 17.526 14.444 26.996 A 369 ASP A 32 ASP~? A 371 LYS A 30 LYS~? A 374 ASN A 33 ASN~? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 2 3 RMSD = 1.15 A TRANSFORM -0.3965 0.7917 0.4648 -0.1943 -0.5672 0.8003 -0.8972 -0.2270 -0.3788 92.429 87.292 122.931 A 451 GLU A 49 GLU^? A 504 TYR A 92 TYR^? A 540 GLU A 42 GLU^? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 1 3 RMSD = 1.16 A TRANSFORM -0.4334 0.2574 -0.8637 -0.0677 0.9463 0.3160 -0.8987 -0.1954 0.3927 -8.416 64.199 54.989 A 104 ILE A 38 ILE.? A 106 HIS A 40 HIS^? A 142 ASP A 32 ASP~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.19 A TRANSFORM -0.3960 -0.8771 0.2718 0.7846 -0.4770 -0.3962 -0.4771 -0.0564 -0.8770 -17.310 -36.219 -7.815 G 51 ALA A 39 ALA.? G 148 HIS A 40 HIS^? G 163 ASP A 32 ASP~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 1.22 A TRANSFORM 0.7563 0.5012 0.4204 0.6410 -0.4396 -0.6292 0.1306 -0.7454 0.6538 -23.368 51.000 95.394 A 270 ASN A 19 ASN.? A 384 ASN A 9 ASN.? A 385 GLU A 7 GLU.? ULMNm 3 1fgj_c01 HYDROXYLAMINE OXIDOREDUCTASE user 1 3 RMSD = 1.22 A TRANSFORM -0.7915 0.0826 -0.6056 -0.1434 -0.9883 0.0526 0.5941 -0.1285 -0.7941 56.409 41.631 -34.718 B 267 ASP A 32 ASP~? B 268 HIS A 40 HIS^? B 334 TYR A 92 TYR^? ULMNm 3 2dbt_c01 CHITINASE C user 8 3 RMSD = 1.23 A TRANSFORM -0.3609 0.8095 -0.4631 -0.4716 0.2700 0.8395 -0.8046 -0.5214 -0.2843 68.483 83.749 50.605 B 147 GLU A 88 GLU.? B 156 GLU A 42 GLU^? B 194 ASN A 108 ASN.? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.23 A TRANSFORM -0.8604 0.2659 -0.4347 0.0446 0.8890 0.4557 -0.5076 -0.3727 0.7768 78.912 16.094 23.565 A 261 GLY A 37 GLY.? B 17 GLN A 128 GLN~? B 140 GLU A 36 GLU.? ULMNm 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 2 3 RMSD = 1.24 A TRANSFORM -0.4250 -0.8871 -0.1800 -0.8992 0.3908 0.1970 0.1045 -0.2456 0.9637 13.259 15.449 -9.560 A 110 CYH A 117 CYH^? A 301 ASP A 118 ASP^? A 320 HIS A 40 HIS^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.25 A TRANSFORM -0.5468 0.5495 -0.6317 0.8326 0.2775 -0.4793 0.0881 0.7881 0.6093 44.403 13.099 29.047 A 316 ALA A 55 ALA^? A 317 GLY A 56 GLY.? A 318 ASP A 98 ASP.? ULMNm 3 2dbt_c02 CHITINASE C user 8 3 RMSD = 1.25 A TRANSFORM 0.3755 0.8954 -0.2393 0.5246 -0.4182 -0.7415 0.7640 -0.1529 0.6268 30.870 5.164 -23.874 C 147 GLU A 88 GLU.? C 156 GLU A 42 GLU^? C 194 ASN A 108 ASN.? ULMNm 3 2dbt_c01 CHITINASE C user 11 3 RMSD = 1.26 A TRANSFORM 0.7340 -0.6781 -0.0385 0.2641 0.2327 0.9360 0.6257 0.6972 -0.3498 27.448 71.231 0.422 B 147 GLU A 125 GLU~? B 156 GLU A 123 GLU~? B 194 ASN A 130 ASN~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.27 A TRANSFORM 0.3969 0.6234 -0.6737 0.4242 -0.7755 -0.4676 0.8139 0.1002 0.5723 -12.882 -29.651 -66.930 E 51 ALA A 39 ALA.? E 148 HIS A 40 HIS^? E 163 ASP A 32 ASP~? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 1 3 RMSD = 1.28 A TRANSFORM -0.4334 0.0207 -0.9010 0.8408 0.3692 -0.3960 -0.3245 0.9291 0.1775 40.400 -0.476 32.932 124 ASP A 32 ASP~? 260 ASP A 118 ASP^? 289 HIS A 40 HIS^? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.28 A TRANSFORM 0.3555 0.4139 -0.8380 -0.9034 0.3821 -0.1945 -0.2397 -0.8262 -0.5098 -47.543 84.985 0.584 A 220 HIS A 45 HIS.? A 250 ASP A 115 ASP^? A 328 SER A 110 SER~? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.28 A TRANSFORM 0.1444 0.8860 0.4407 0.2913 0.3876 -0.8746 0.9457 -0.2547 0.2021 -66.120 51.764 -61.710 B 220 HIS A 45 HIS.? B 250 ASP A 115 ASP^? B 328 SER A 110 SER~? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.29 A TRANSFORM -0.8874 0.3683 -0.2773 0.2429 0.8847 0.3978 -0.3919 -0.2857 0.8745 -10.061 26.751 -22.702 C 220 HIS A 45 HIS.? C 250 ASP A 115 ASP^? C 328 SER A 110 SER~? ULMNm 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 RMSD = 1.32 A TRANSFORM -0.0550 0.9123 -0.4059 0.7320 0.3133 0.6050 -0.6790 0.2639 0.6850 -0.513 -58.386 38.906 A 10 ASP A 112 ASP~? A 168 ASN A 108 ASN.? A 241 HIS A 44 HIS^? ULMNm 3 1et0_c02 4-AMINO-4-DEOXYCHORISMATE LYASE user 3 3 RMSD = 1.32 A TRANSFORM 0.0609 0.9971 0.0462 0.0768 0.0415 -0.9962 0.9952 -0.0642 0.0741 -7.084 17.916 31.963 A 38 THR A 95 THR^? A 159 LYS A 27 LYS^? A 193 GLU A 49 GLU^? ULMNm 3 2dbt_c02 CHITINASE C user 7 3 RMSD = 1.33 A TRANSFORM -0.0327 0.4323 0.9012 0.9993 0.0296 0.0221 0.0172 -0.9013 0.4329 44.518 -14.891 5.237 C 147 GLU A 88 GLU.? C 156 GLU A 42 GLU^? C 194 ASN A 84 ASN^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.33 A TRANSFORM -0.4918 0.5323 0.6891 -0.8164 -0.0069 -0.5774 0.3026 0.8466 -0.4379 14.679 0.763 -50.936 B 250 ALA A 55 ALA^? B 251 GLY A 56 GLY.? B 252 ASP A 98 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.33 A TRANSFORM 0.0202 -0.9822 0.1868 -0.4323 -0.1770 -0.8842 -0.9015 0.0629 0.4282 144.515 38.905 7.086 A 316 ALA A 55 ALA^? A 317 GLY A 56 GLY.? A 318 ASP A 98 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.34 A TRANSFORM 0.5426 -0.1640 0.8238 0.6382 -0.5572 -0.5313 -0.5462 -0.8140 0.1976 5.861 -19.459 6.445 A 250 ALA A 55 ALA^? A 251 GLY A 56 GLY.? A 252 ASP A 98 ASP.? ULMNm 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 RMSD = 1.34 A TRANSFORM 0.7337 -0.0638 0.6765 0.2013 0.9713 -0.1267 0.6490 -0.2291 -0.7254 -55.283 -21.370 21.965 B 10 ASP A 112 ASP~? B 168 ASN A 108 ASN.? B 241 HIS A 44 HIS^? ULMNm 3 2c3x_p00 ALPHA-AMYLASE G-6 user 1 3 RMSD = 1.37 A TRANSFORM 0.5668 -0.0709 -0.8208 0.6392 -0.5907 0.4924 0.5198 0.8037 0.2895 -14.739 14.754 45.547 A 26 HIS A 44 HIS^? A 76 ASN A 108 ASN.? A 81 ASP A 106 ASP^? ULMNm 3 1qrz_c13 PLASMINOGEN user 4 3 RMSD = 1.38 A TRANSFORM 0.7322 -0.2251 0.6428 0.6618 0.4583 -0.5933 0.1611 -0.8598 -0.4845 -83.317 -26.746 -12.317 B 603 HIS A 45 HIS.? B 646 ASP A 112 ASP~? B 741 SER A 46 SER.? ULMNm 3 5fit_c00 FRAGILE HISTIDINE TRIAD PROTEIN user 1 3 RMSD = 1.39 A TRANSFORM 0.4110 -0.8900 0.1977 0.3350 -0.0543 -0.9406 -0.8479 -0.4528 -0.2758 -4.418 11.168 57.372 83 GLN A 105 GLN^? 94 HIS A 45 HIS.? 96 HIS A 44 HIS^? ULMNm 3 3hde_o02 LYSOZYME user 3 3 RMSD = 1.39 A TRANSFORM 0.1252 -0.6755 0.7267 0.9595 0.2686 0.0844 0.2522 -0.6867 -0.6817 10.652 -36.748 -6.007 C 35 GLU A 42 GLU^? C 44 ASP A 106 ASP^? C 50 THR A 47 THR.? ULMNm 3 2dbt_c00 CHITINASE C user 11 3 RMSD = 1.39 A TRANSFORM -0.4255 0.9050 -0.0016 0.1290 0.0624 0.9897 -0.8957 -0.4209 0.1433 85.796 27.109 28.861 A 147 GLU A 125 GLU~? A 156 GLU A 123 GLU~? A 194 ASN A 130 ASN~? ULMNm 3 1qrz_c14 PLASMINOGEN user 4 3 RMSD = 1.40 A TRANSFORM 0.1168 0.7555 0.6447 -0.6649 -0.4227 0.6158 -0.7378 0.5005 -0.4530 -3.412 20.646 43.975 C 603 HIS A 45 HIS.? C 646 ASP A 112 ASP~? C 741 SER A 46 SER.? ULMNm 3 1qrz_c15 PLASMINOGEN user 2 3 RMSD = 1.40 A TRANSFORM 0.9821 -0.0558 0.1799 0.1439 -0.3942 -0.9077 -0.1216 -0.9173 0.3791 -92.852 -8.962 49.589 D 603 HIS A 44 HIS^? D 646 ASP A 106 ASP^? D 741 SER A 114 SER^? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.42 A TRANSFORM -0.9100 -0.1937 0.3665 0.3947 -0.1343 0.9090 0.1269 -0.9718 -0.1987 65.704 12.400 83.729 D 107 ASP A 32 ASP~? D 246 ASP A 115 ASP^? D 275 HIS A 40 HIS^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.42 A TRANSFORM -0.1045 -0.5133 -0.8518 -0.3985 0.8063 -0.4370 -0.9112 -0.2938 0.2889 39.617 85.288 72.160 A 228 ASP A 112 ASP~? A 261 ASP A 32 ASP~? A 329 ASP A 115 ASP^? ULMNm 3 2dbt_c02 CHITINASE C user 9 3 RMSD = 1.43 A TRANSFORM -0.8861 0.4405 0.1445 0.3593 0.8496 -0.3862 0.2929 0.2903 0.9110 84.993 20.396 -0.397 C 147 GLU A 88 GLU.? C 156 GLU A 64 GLU^? C 194 ASN A 84 ASN^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.43 A TRANSFORM 0.5441 -0.5589 0.6258 -0.2450 0.6075 0.7556 0.8025 0.5644 -0.1936 34.015 95.175 13.560 229 ASP A 118 ASP^? 264 GLU A 49 GLU^? 328 ASP A 32 ASP~? ULMNm 3 1qrz_c14 PLASMINOGEN user 2 3 RMSD = 1.43 A TRANSFORM 0.9697 -0.0364 0.2415 0.2058 -0.4109 -0.8881 -0.1316 -0.9109 0.3910 -38.656 -11.862 11.726 C 603 HIS A 44 HIS^? C 646 ASP A 106 ASP^? C 741 SER A 114 SER^? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.43 A TRANSFORM -0.2731 0.9619 0.0112 0.1320 0.0490 -0.9900 0.9529 0.2689 0.1404 -1.566 -22.853 -50.718 A 35 GLU A 11 GLU.? A 44 ASP A 34 ASP~? A 50 THR A 95 THR^? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 1 3 RMSD = 1.43 A TRANSFORM -0.5518 0.0707 0.8310 -0.1086 -0.9940 0.0125 -0.8269 0.0833 -0.5561 -0.979 14.161 -9.763 B 8 HIS A 45 HIS.? B 80 GLU A 88 GLU.? B 223 ARG A 132 ARG~? ULMNm 3 2dbt_c00 CHITINASE C user 7 3 RMSD = 1.44 A TRANSFORM 0.1185 -0.7442 -0.6574 -0.9584 -0.2588 0.1202 0.2596 -0.6158 0.7439 64.487 56.397 -8.587 A 147 GLU A 88 GLU.? A 156 GLU A 42 GLU^? A 194 ASN A 84 ASN^? ULMNm 3 1qrz_c12 PLASMINOGEN user 2 3 RMSD = 1.44 A TRANSFORM 0.4319 0.8403 -0.3275 -0.1972 0.4423 0.8749 -0.8801 0.3133 -0.3568 -36.314 5.330 71.483 A 603 HIS A 44 HIS^? A 646 ASP A 106 ASP^? A 741 SER A 114 SER^? ULMNm 3 2dbt_c01 CHITINASE C user 7 3 RMSD = 1.44 A TRANSFORM -0.2199 0.9182 0.3296 -0.9753 -0.2003 -0.0928 0.0192 0.3419 -0.9396 61.676 105.231 20.077 B 147 GLU A 88 GLU.? B 156 GLU A 42 GLU^? B 194 ASN A 84 ASN^? ULMNm 3 2hdh_c02 L-3-HYDROXYACYL COA DEHYDROGENASE user 2 3 RMSD = 1.45 A TRANSFORM 0.1940 -0.7207 -0.6656 0.3121 0.6886 -0.6546 -0.9300 0.0808 -0.3585 43.691 36.825 111.351 B 137 SER A 114 SER^? B 158 HIS A 44 HIS^? B 208 ASN A 113 ASN.? ULMNm 3 2dbt_c00 CHITINASE C user 8 3 RMSD = 1.45 A TRANSFORM -0.0063 -0.9135 0.4069 -0.2888 0.3912 0.8738 0.9574 0.1120 0.2663 67.383 28.873 -34.486 A 147 GLU A 88 GLU.? A 156 GLU A 42 GLU^? A 194 ASN A 108 ASN.? ULMNm 3 1qrz_c13 PLASMINOGEN user 2 3 RMSD = 1.46 A TRANSFORM 0.4345 0.8527 -0.2899 -0.1700 0.3937 0.9034 -0.8845 0.3433 -0.3160 -64.215 4.080 33.106 B 603 HIS A 44 HIS^? B 646 ASP A 106 ASP^? B 741 SER A 114 SER^? ULMNm 3 2f61_c00 ACID BETA-GLUCOSIDASE user 1 3 RMSD = 1.46 A TRANSFORM 0.4849 -0.7753 -0.4047 0.8402 0.5414 -0.0303 -0.2426 0.3253 -0.9139 -13.153 19.753 9.518 A 235 GLU A 73 GLU^? A 340 GLU A 64 GLU^? A 342 CYH A 89 CYH.? ULMNm 3 3b21_o00 SHIGELLA FLEXNERI EFFECTOR OSPI user 3 3 RMSD = 1.47 A TRANSFORM -0.0500 0.5678 -0.8216 0.8253 0.4868 0.2862 -0.5625 0.6638 0.4930 17.501 -13.088 22.182 A 62 CYH A 89 CYH.? A 145 HIS A 45 HIS.? A 160 ASP A 115 ASP^? ULMNm 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 1 3 RMSD = 1.47 A TRANSFORM -0.6427 -0.4071 -0.6490 0.7505 -0.5046 -0.4267 0.1538 0.7613 -0.6299 57.491 24.843 78.037 A 130 ASP A 48 ASP.? A 153 ASN A 84 ASN^? A 189 GLN A 50 GLN^? ULMNm 3 3hde_o01 LYSOZYME user 3 3 RMSD = 1.48 A TRANSFORM 0.6876 0.5133 0.5135 0.6012 -0.0061 -0.7990 0.4070 -0.8582 0.3128 -38.095 -30.991 -44.382 B 35 GLU A 42 GLU^? B 44 ASP A 106 ASP^? B 50 THR A 47 THR.? ULMNm 3 1qrz_c15 PLASMINOGEN user 4 3 RMSD = 1.48 A TRANSFORM 0.0641 0.7229 0.6880 -0.6722 -0.4783 0.5652 -0.7376 0.4987 -0.4552 -55.115 21.305 82.184 D 603 HIS A 45 HIS.? D 646 ASP A 112 ASP~? D 741 SER A 46 SER.? ULMNm 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 1 3 RMSD = 1.48 A TRANSFORM 0.2696 -0.2170 -0.9382 0.9280 0.3186 0.1929 -0.2570 0.9227 -0.2873 -17.552 -94.840 -28.750 C 137 TYR A 83 TYR^? C 142 LEU A 76 LEU^? C 165 LYS A 81 LYS.? ULMNm 3 1qrz_c12 PLASMINOGEN user 4 3 RMSD = 1.48 A TRANSFORM 0.7054 -0.2563 0.6608 0.6987 0.4077 -0.5878 0.1188 -0.8764 -0.4667 -54.553 -28.553 27.911 A 603 HIS A 45 HIS.? A 646 ASP A 112 ASP~? A 741 SER A 46 SER.? ULMNm 3 2dbt_c00 CHITINASE C user 9 3 RMSD = 1.49 A TRANSFORM 0.9546 -0.2293 0.1900 -0.2977 -0.7279 0.6176 0.0033 0.6462 0.7632 28.033 22.278 11.385 A 147 GLU A 88 GLU.? A 156 GLU A 64 GLU^? A 194 ASN A 84 ASN^? ULMNm 3 1ez2_c00 PHOSPHOTRIESTERASE user 2 3 RMSD = 1.49 A TRANSFORM 0.6169 -0.0767 -0.7833 -0.6725 -0.5685 -0.4739 0.4089 -0.8191 0.4023 25.788 18.923 26.161 A 233 ASP A 118 ASP^? A 254 HIS A 40 HIS^? A 301 ASP A 32 ASP~?