*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 0.71 A TRANSFORM 0.3290 -0.7475 0.5771 -0.8846 -0.0301 0.4654 -0.3305 -0.6636 -0.6711 69.463 15.589 35.333 A 67 ASP A 43 ASP~? A 68 ALA A 46 ALA~? A 72 LEU A 50 LEU~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 0.81 A TRANSFORM 0.2128 -0.3704 -0.9042 0.6040 0.7773 -0.1762 0.7681 -0.5086 0.3891 32.423 9.690 -4.704 A 46 HIS A 27 HIS~? A 105 GLU A 102 GLU~? A 109 HIS A 103 HIS~? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 3 3 RMSD = 0.86 A TRANSFORM 0.0073 0.6204 0.7843 0.9522 -0.2437 0.1839 0.3053 0.7455 -0.5925 80.112 55.470 -3.343 B 137 GLY A 74 GLY~? B 175 ARG A 71 ARG~? B 242 TYR A 61 TYR~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.07 A TRANSFORM 0.4672 -0.7091 -0.5282 0.0557 -0.5726 0.8180 -0.8824 -0.4116 -0.2280 45.381 -104.675 -109.197 A 420 ALA A 62 ALA~? B 182 GLY A 120 GLY~? B 183 GLY A 122 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.16 A TRANSFORM 0.4969 0.4959 -0.7122 -0.0523 -0.8021 -0.5949 -0.8663 0.3328 -0.3726 30.930 43.336 26.336 A 229 ALA A 62 ALA~? A 257 ALA A 4 ALA~? A 328 ASP A 117 ASP~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 2 3 RMSD = 1.23 A TRANSFORM 0.0281 0.7270 0.6860 -0.9973 -0.0266 0.0689 0.0683 -0.6861 0.7243 46.370 -20.068 -25.810 B 37 ASP A 83 ASP.? B 56 ILE A 126 ILE~? B 82 TYR A 89 TYR~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 RMSD = 1.23 A TRANSFORM 0.0225 0.7302 0.6829 -0.9949 -0.0510 0.0874 0.0987 -0.6814 0.7253 43.468 -3.413 1.768 A 37 ASP A 83 ASP.? A 56 ILE A 126 ILE~? A 82 TYR A 89 TYR~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 5 3 RMSD = 1.25 A TRANSFORM 0.7767 -0.6165 0.1292 -0.0319 0.1664 0.9855 -0.6291 -0.7696 0.1096 17.121 73.438 52.997 A 228 ASP A 104 ASP~? A 260 ASP A 117 ASP~? A 329 ASP A 108 ASP~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 1 3 RMSD = 1.26 A TRANSFORM -0.8395 0.5400 0.0609 -0.4261 -0.5846 -0.6904 -0.3372 -0.6055 0.7208 27.550 31.113 92.450 32 ASP A 104 ASP~? 35 SER A 10 SER~? 215 ASP A 106 ASP.? ULMNm 3 1am5_c04 PEPSIN user 1 3 RMSD = 1.29 A TRANSFORM -0.2454 -0.5107 -0.8240 0.3236 -0.8444 0.4269 -0.9138 -0.1618 0.3725 0.425 12.801 172.032 32 ASP A 104 ASP~? 35 SER A 10 SER~? 215 ASP A 106 ASP.? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 1 3 RMSD = 1.30 A TRANSFORM 0.1371 0.5564 0.8195 0.3485 0.7473 -0.5657 -0.9272 0.3632 -0.0915 35.688 38.228 123.994 35 ASP A 104 ASP~? 38 SER A 10 SER~? 218 ASP A 106 ASP.? ULMNm 3 1sme_c04 PLASMEPSIN II user 1 3 RMSD = 1.31 A TRANSFORM -0.2740 0.8985 -0.3431 -0.1046 0.3268 0.9393 0.9560 0.2932 0.0044 46.568 64.233 -8.581 A 34 ASP A 104 ASP~? A 37 SER A 10 SER~? A 214 ASP A 106 ASP.? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 1 3 RMSD = 1.31 A TRANSFORM -0.8175 0.1384 0.5590 0.2580 -0.7797 0.5705 0.5148 0.6106 0.6017 48.637 18.520 -0.030 E 33 ASP A 104 ASP~? E 36 SER A 10 SER~? E 213 ASP A 106 ASP.? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 1 3 RMSD = 1.31 A TRANSFORM -0.8917 -0.4147 -0.1814 -0.3698 0.4363 0.8203 -0.2610 0.7985 -0.5424 36.565 42.208 6.468 P 32 ASP A 104 ASP~? P 35 SER A 10 SER~? P 215 ASP A 106 ASP.? ULMNm 3 1qrz_c12 PLASMINOGEN user 1 3 RMSD = 1.33 A TRANSFORM -0.1271 -0.0160 0.9918 -0.2374 -0.9703 -0.0460 0.9631 -0.2413 0.1195 -25.155 21.038 34.181 A 603 HIS A 77 HIS~? A 646 ASP A 83 ASP.? A 741 SER A 76 SER~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 3 RMSD = 1.33 A TRANSFORM -0.1662 -0.5316 -0.8305 0.9850 -0.0510 -0.1646 0.0452 -0.8455 0.5321 26.876 -10.829 43.661 32 ASP A 104 ASP~? 35 SER A 10 SER~? 215 ASP A 106 ASP.? ULMNm 3 1bbs_c06 RENIN user 1 3 RMSD = 1.34 A TRANSFORM 0.4696 0.3924 0.7909 -0.6058 0.7948 -0.0347 -0.6422 -0.4628 0.6110 48.890 51.928 103.580 32 ASP A 104 ASP~? 35 SER A 10 SER~? 215 ASP A 106 ASP.? ULMNm 3 1bbs_c07 RENIN user 1 3 RMSD = 1.34 A TRANSFORM 0.4696 0.3924 0.7909 -0.6058 0.7948 -0.0347 -0.6422 -0.4628 0.6110 48.890 51.928 103.580 32 ASP A 104 ASP~? 35 SER A 10 SER~? 215 ASP A 106 ASP.? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 1 3 RMSD = 1.34 A TRANSFORM -0.5636 -0.7149 -0.4139 -0.6139 0.6977 -0.3691 0.5527 0.0461 -0.8321 67.579 28.080 -10.562 A 32 ASP A 104 ASP~? A 35 SER A 10 SER~? A 218 ASP A 106 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 4 3 RMSD = 1.34 A TRANSFORM 0.7420 0.6656 -0.0797 0.3629 -0.2989 0.8826 0.5636 -0.6838 -0.4633 -23.390 -3.787 -12.090 14 ASP A 94 ASP~? 16 HIS A 27 HIS~? 67 GLY A 12 GLY~? ULMNm 3 1qrz_c15 PLASMINOGEN user 1 3 RMSD = 1.34 A TRANSFORM -0.9374 0.2848 0.2006 0.3047 0.9494 0.0763 -0.1688 0.1326 -0.9767 -54.981 -27.022 50.142 D 603 HIS A 77 HIS~? D 646 ASP A 83 ASP.? D 741 SER A 76 SER~? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 1 3 RMSD = 1.35 A TRANSFORM -0.2589 0.2166 -0.9413 -0.5713 0.7514 0.3301 0.7788 0.6232 -0.0708 12.603 22.075 -45.483 B 60 HIS A 103 HIS~? B 84 ASP A 23 ASP~? B 140 GLY A 12 GLY~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 3 3 RMSD = 1.36 A TRANSFORM -0.3214 -0.0087 0.9469 -0.4099 0.9027 -0.1309 -0.8536 -0.4302 -0.2937 41.530 78.224 52.626 A 228 ASP A 108 ASP~? A 261 ASP A 94 ASP~? A 329 ASP A 113 ASP~? ULMNm 3 1qrz_c14 PLASMINOGEN user 1 3 RMSD = 1.41 A TRANSFORM -0.9561 0.2155 0.1985 0.2372 0.9671 0.0924 -0.1720 0.1354 -0.9757 0.386 -27.500 11.880 C 603 HIS A 77 HIS~? C 646 ASP A 83 ASP.? C 741 SER A 76 SER~? ULMNm 3 1qrz_c13 PLASMINOGEN user 1 3 RMSD = 1.42 A TRANSFORM -0.1465 -0.0545 0.9877 -0.2761 -0.9566 -0.0938 0.9499 -0.2864 0.1251 -51.945 21.202 -3.300 B 603 HIS A 77 HIS~? B 646 ASP A 83 ASP.? B 741 SER A 76 SER~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.42 A TRANSFORM -0.4716 -0.4605 0.7520 -0.3939 0.8730 0.2876 -0.7890 -0.1606 -0.5931 68.866 2.863 27.441 A 67 ASP A 23 ASP~? A 68 ALA A 99 ALA~? A 72 LEU A 96 LEU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.44 A TRANSFORM -0.3330 0.2815 0.8999 -0.4065 -0.9040 0.1324 0.8508 -0.3217 0.4154 35.379 44.954 -12.462 A 229 ALA A 4 ALA~? A 257 ALA A 62 ALA~? A 328 ASP A 117 ASP~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 1 3 RMSD = 1.45 A TRANSFORM 0.7772 -0.4897 0.3951 0.6003 0.7653 -0.2322 -0.1887 0.4177 0.8888 -2.973 -25.269 11.761 A 50 HIS A 103 HIS~? A 96 GLU A 102 GLU~? A 137 HIS A 27 HIS~? ULMNm 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 1 3 RMSD = 1.45 A TRANSFORM -0.1375 0.9342 0.3291 -0.7834 0.1007 -0.6133 -0.6061 -0.3422 0.7180 71.169 76.464 86.585 32 ASP A 23 ASP~? 64 HIS A 103 HIS~? 221 SER A 17 SER.? ULMNm 3 3b21_o00 SHIGELLA FLEXNERI EFFECTOR OSPI user 2 3 RMSD = 1.46 A TRANSFORM -0.8471 0.0509 -0.5291 0.2949 -0.7831 -0.5475 -0.4422 -0.6198 0.6483 25.096 23.112 21.294 A 62 CYH A 15 CYH~? A 145 HIS A 103 HIS~? A 160 ASP A 23 ASP~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 1.47 A TRANSFORM 0.4783 -0.2764 -0.8336 -0.8585 -0.3469 -0.3776 -0.1848 0.8962 -0.4032 3.656 33.283 11.224 30 GLY A 12 GLY~? 48 HIS A 103 HIS~? 99 ASP A 23 ASP~? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.47 A TRANSFORM 0.1700 -0.9745 0.1461 -0.9309 -0.2075 -0.3005 0.3232 -0.0850 -0.9425 17.254 50.368 56.468 C 107 ASP A 23 ASP~? C 246 ASP A 106 ASP.? C 275 HIS A 103 HIS~?