*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1mek_c00 PROTEIN DISULFIDE ISOMERASE user 1 4 RMSD = 0.96 A TRANSFORM -0.6679 0.6494 -0.3636 -0.6032 -0.7585 -0.2468 -0.4360 0.0545 0.8983 -1.444 59.713 10.910 36 CYH A 31 CYH~? 37 GLY A 32 GLY~? 38 HIS A 33 HIS~? 39 CYH A 34 CYH~? ULMNm 3 1qx3_c00 APOPAIN user 1 3 RMSD = 0.71 A TRANSFORM -0.3552 0.8238 0.4419 0.2237 -0.3841 0.8958 0.9076 0.4170 -0.0478 -25.702 31.647 -56.340 A 121 HIS A 33 HIS~? A 122 GLY A 32 GLY~? A 163 CYH A 31 CYH~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 4 3 RMSD = 0.88 A TRANSFORM -0.8297 0.4573 -0.3199 -0.2253 -0.7989 -0.5577 -0.5107 -0.3907 0.7659 70.535 97.262 40.729 199 ASP A 88 ASP~? 242 GLU A 97 GLU~? 329 ASP A 82 ASP~? ULMNm 3 1qtn_c02 ACETYL-ILE-GLU-THR-ASP-ALDEHYDE user 1 3 RMSD = 0.98 A TRANSFORM -0.8371 0.5018 -0.2180 0.5290 0.8439 -0.0891 0.1393 -0.1899 -0.9719 11.645 -33.727 45.583 A 317 HIS A 33 HIS~? A 318 GLY A 32 GLY~? A 360 CYH A 31 CYH~? ULMNm 3 1qtn_c02 ACETYL-ILE-GLU-THR-ASP-ALDEHYDE user 2 3 RMSD = 1.02 A TRANSFORM -0.2234 0.9684 -0.1113 0.9600 0.1988 -0.1973 -0.1689 -0.1509 -0.9740 -47.403 -22.504 59.920 A 317 HIS A 33 HIS~? A 318 GLY A 32 GLY~? A 360 CYH A 34 CYH~? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.05 A TRANSFORM 0.0847 -0.9065 -0.4136 -0.8246 -0.2968 0.4817 -0.5594 0.3003 -0.7726 4.421 47.987 15.706 B 603 HIS A 83 HIS~? B 646 ASP A 88 ASP~? B 739 GLY A 32 GLY~? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.06 A TRANSFORM 0.1201 -0.8846 -0.4506 -0.8459 -0.3288 0.4199 -0.5196 0.3307 -0.7878 29.862 51.674 50.782 A 603 HIS A 83 HIS~? A 646 ASP A 88 ASP~? A 739 GLY A 32 GLY~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 4 3 RMSD = 1.07 A TRANSFORM -0.7704 -0.2852 0.5703 -0.1176 0.9426 0.3125 -0.6267 0.1737 -0.7597 25.169 -39.832 -9.071 B 114 HIS A 166 HIS~? B 197 ASP A 167 ASP~? B 223 ALA A 0 ALA.? ULMNm 3 1f80_c03 ACYL CARRIER PROTEIN user 1 3 RMSD = 1.07 A TRANSFORM 0.3432 -0.8622 0.3727 0.9391 0.3230 -0.1174 -0.0191 0.3903 0.9205 43.222 -34.189 -17.692 A 105 HIS A 83 HIS~? C 62 LYS A 54 LYS^? F 35 ASP A 82 ASP~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 4 3 RMSD = 1.07 A TRANSFORM 0.7617 0.2862 -0.5813 0.2163 -0.9580 -0.1882 -0.6108 0.0176 -0.7916 -118.748 34.133 -2.181 A 114 HIS A 166 HIS~? A 197 ASP A 167 ASP~? A 223 ALA A 0 ALA.? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.08 A TRANSFORM 0.5325 -0.5787 0.6177 0.8444 0.3118 -0.4357 0.0596 0.7536 0.6546 0.781 -56.681 -45.819 C 603 HIS A 83 HIS~? C 646 ASP A 88 ASP~? C 739 GLY A 32 GLY~? ULMNm 3 1et0_c00 4-AMINO-4-DEOXYCHORISMATE LYASE user 1 3 RMSD = 1.08 A TRANSFORM 0.1091 -0.5658 0.8173 0.1842 -0.7965 -0.5759 0.9768 0.2134 0.0173 29.305 31.599 11.022 A 159 LYS A 158 LYS~? A 193 GLU A 4 GLU.? A 217 VAL A 10 VAL^? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.08 A TRANSFORM 0.5748 -0.5729 0.5843 0.8132 0.3205 -0.4858 0.0911 0.7544 0.6501 -54.998 -54.703 -8.980 D 603 HIS A 83 HIS~? D 646 ASP A 88 ASP~? D 739 GLY A 32 GLY~? ULMNm 3 1cwy_c00 AMYLOMALTASE user 2 3 RMSD = 1.10 A TRANSFORM -0.1579 0.6877 0.7086 0.2378 0.7229 -0.6487 -0.9584 0.0660 -0.2777 -78.594 -84.822 41.033 A 293 ASP A 174 ASP~? A 340 GLU A 47 GLU~? A 395 ASP A 168 ASP~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 6 3 RMSD = 1.17 A TRANSFORM 0.4691 -0.8406 0.2708 -0.0164 0.2983 0.9543 -0.8830 -0.4521 0.1261 -5.949 -4.805 44.198 B 114 HIS A 166 HIS~? B 197 ASP A 168 ASP~? B 223 ALA A 48 ALA~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 6 3 RMSD = 1.18 A TRANSFORM -0.4815 0.8338 -0.2701 0.1561 -0.2216 -0.9626 -0.8624 -0.5056 -0.0234 -86.935 -8.902 44.398 A 114 HIS A 166 HIS~? A 197 ASP A 168 ASP~? A 223 ALA A 48 ALA~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 RMSD = 1.22 A TRANSFORM 0.8151 0.2733 0.5108 -0.3510 0.9344 0.0601 -0.4609 -0.2283 0.8576 -48.725 25.356 68.865 179 ASP A 174 ASP~? 227 GLU A 25 GLU^? 289 ASP A 168 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.24 A TRANSFORM -0.5534 -0.6906 -0.4656 0.6935 -0.6917 0.2017 -0.4613 -0.2113 0.8617 76.512 6.746 26.969 B 99 ARG A 115 ARG~? B 101 ASP A 82 ASP~? B 132 ASP A 88 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.26 A TRANSFORM 0.5309 0.6917 0.4895 -0.7568 0.6469 -0.0933 -0.3812 -0.3210 0.8670 -53.004 21.685 28.067 A 99 ARG A 115 ARG~? A 101 ASP A 82 ASP~? A 132 ASP A 88 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.26 A TRANSFORM 0.1489 0.8026 0.5777 -0.9828 0.1848 -0.0035 -0.1095 -0.5672 0.8162 -33.337 3.529 -27.648 B 250 ALA A 80 ALA~? B 251 GLY A 79 GLY~? B 252 ASP A 78 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 11 3 RMSD = 1.27 A TRANSFORM 0.6543 -0.7063 -0.2702 -0.2548 0.1305 -0.9581 0.7120 0.6958 -0.0946 24.823 34.103 6.506 A 241 ASP A 174 ASP~? A 265 GLU A 25 GLU^? A 369 ASP A 168 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.28 A TRANSFORM 0.9707 0.1901 -0.1470 0.0664 -0.8000 -0.5964 -0.2310 0.5691 -0.7891 -14.667 25.886 -12.994 A 250 ALA A 80 ALA~? A 251 GLY A 79 GLY~? A 252 ASP A 78 ASP~? ULMNm 3 2odj_o01 PORIN D user 2 3 RMSD = 1.29 A TRANSFORM 0.5563 -0.6682 -0.4939 0.5805 0.7378 -0.3444 0.5946 -0.0951 0.7984 -0.996 -54.698 40.040 B 156 HIS A 64 HIS~? B 208 ASP A 129 ASP~? B 296 SER A 114 SER~? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.29 A TRANSFORM 0.2239 0.9313 0.2872 -0.8652 0.0543 0.4985 0.4486 -0.3601 0.8179 7.764 85.004 -26.158 233 ASN A 160 ASN^? 457 GLY A 5 GLY.? 459 GLU A 4 GLU.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 9 3 RMSD = 1.29 A TRANSFORM 0.6536 -0.0144 -0.7567 -0.5785 0.6352 -0.5118 0.4880 0.7722 0.4068 -20.723 19.345 14.637 A 241 ASP A 174 ASP~? A 265 GLU A 9 GLU^? A 369 ASP A 168 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.32 A TRANSFORM -0.3618 -0.6619 0.6565 -0.9082 0.4091 -0.0881 -0.2103 -0.6281 -0.7492 37.351 33.654 35.064 141 ASP A 136 ASP~? 166 GLY A 157 GLY~? 169 GLU A 9 GLU^? ULMNm 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 8 3 RMSD = 1.32 A TRANSFORM -0.4578 -0.1762 -0.8714 -0.5854 0.7975 0.1462 0.6692 0.5771 -0.4682 88.975 12.352 -34.549 A 137 GLU A 103 GLU~? A 288 HIS A 64 HIS~? A 329 LYS A 139 LYS~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.32 A TRANSFORM 0.1565 0.1779 -0.9715 -0.9356 -0.2886 -0.2035 -0.3166 0.9408 0.1212 141.955 67.148 -38.351 A 316 ALA A 80 ALA~? A 317 GLY A 79 GLY~? A 318 ASP A 78 ASP~? ULMNm 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 6 3 RMSD = 1.34 A TRANSFORM 0.4291 0.1772 0.8857 0.2939 0.8998 -0.3224 -0.8541 0.3987 0.3340 -7.061 -47.625 68.718 B 137 GLU A 103 GLU~? B 288 HIS A 64 HIS~? B 329 LYS A 139 LYS~? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 2 3 RMSD = 1.35 A TRANSFORM -0.2080 0.3532 -0.9121 -0.3411 -0.9002 -0.2708 -0.9167 0.2548 0.3078 49.731 80.273 122.772 B 237 HIS A 33 HIS~? B 238 GLY A 32 GLY~? B 287 CYH A 34 CYH~? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 2 3 RMSD = 1.37 A TRANSFORM -0.2689 0.6288 0.7296 -0.7189 0.3731 -0.5865 -0.6410 -0.6822 0.3517 20.875 44.961 67.352 A 49 GLU A 74 GLU~? A 60 ASP A 82 ASP~? A 175 TYR A 70 TYR~? ULMNm 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.39 A TRANSFORM -0.6608 -0.0681 0.7474 -0.7416 -0.0939 -0.6642 0.1154 -0.9932 0.0115 66.437 43.874 65.537 B 169 TYR A 71 TYR~? B 172 HIS A 56 HIS^? B 174 TYR A 70 TYR~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 3 3 RMSD = 1.39 A TRANSFORM -0.4873 -0.8691 0.0853 -0.5365 0.3750 0.7560 -0.6890 0.3226 -0.6490 68.631 -1.794 4.962 14 ASP A 168 ASP~? 16 HIS A 166 HIS~? 67 GLY A 53 GLY^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 RMSD = 1.41 A TRANSFORM -0.5763 0.1628 -0.8009 -0.5636 0.6306 0.5336 0.5919 0.7589 -0.2716 35.140 47.590 -27.450 179 ASP A 88 ASP~? 214 ASP A 174 ASP~? 289 ASP A 82 ASP~? ULMNm 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.42 A TRANSFORM 0.4913 -0.0532 -0.8694 -0.4932 -0.8397 -0.2273 -0.7179 0.5404 -0.4388 18.157 75.009 14.652 A 169 TYR A 71 TYR~? A 172 HIS A 56 HIS^? A 174 TYR A 70 TYR~? ULMNm 3 1f80_c05 ACYL CARRIER PROTEIN user 1 3 RMSD = 1.42 A TRANSFORM 0.5802 0.7765 -0.2460 -0.7565 0.4018 -0.5160 -0.3018 0.4855 0.8205 -38.298 55.383 -5.623 A 62 LYS A 54 LYS^? B 105 HIS A 83 HIS~? E 35 ASP A 82 ASP~? ULMNm 3 2odj_o00 PORIN D user 4 3 RMSD = 1.42 A TRANSFORM -0.7394 -0.5727 0.3538 -0.5983 0.3181 -0.7354 0.3087 -0.7555 -0.5779 71.696 36.284 61.360 A 156 HIS A 83 HIS~? A 208 ASP A 51 ASP.? A 296 SER A 148 SER~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.44 A TRANSFORM -0.1186 -0.6994 0.7048 0.5135 0.5643 0.6464 -0.8498 0.4386 0.2923 43.490 -65.212 11.616 14 ASP A 167 ASP~? 16 HIS A 166 HIS~? 67 GLY A 32 GLY~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 5 3 RMSD = 1.45 A TRANSFORM 0.6710 0.7097 -0.2147 0.6843 -0.7042 -0.1893 -0.2855 -0.0199 -0.9582 -136.005 -3.209 -16.649 A 114 HIS A 166 HIS~? A 197 ASP A 168 ASP~? A 223 ALA A 0 ALA.? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 5 3 RMSD = 1.45 A TRANSFORM -0.6761 -0.7087 0.2014 -0.6306 0.6980 0.3394 -0.3811 0.1024 -0.9188 42.243 -0.710 -17.676 B 114 HIS A 166 HIS~? B 197 ASP A 168 ASP~? B 223 ALA A 0 ALA.? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.46 A TRANSFORM -0.2732 -0.8915 -0.3614 0.7496 0.0382 -0.6608 0.6029 -0.4514 0.6579 5.432 -32.748 -38.386 A 114 HIS A 83 HIS~? A 197 ASP A 82 ASP~? A 223 ALA A 111 ALA~? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 1 3 RMSD = 1.46 A TRANSFORM -0.4562 -0.1120 0.8828 0.2614 -0.9652 0.0126 0.8506 0.2365 0.4696 -8.984 69.950 -11.679 A 53 SER A 119 SER~? A 54 PRO A 120 PRO~? A 96 ASP A 122 ASP~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.47 A TRANSFORM -0.5867 0.7828 0.2077 0.7980 0.5151 0.3129 0.1379 0.3493 -0.9268 -4.395 -5.865 -15.250 A 603 HIS A 83 HIS~? A 646 ASP A 82 ASP~? A 739 GLY A 53 GLY^? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.47 A TRANSFORM 0.2794 0.8850 0.3725 -0.8363 0.0336 0.5473 0.4718 -0.4645 0.7494 -99.410 31.913 -32.410 B 114 HIS A 83 HIS~? B 197 ASP A 82 ASP~? B 223 ALA A 111 ALA~? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.48 A TRANSFORM -0.0589 -0.8809 0.4697 -0.3255 -0.4279 -0.8432 0.9437 -0.2025 -0.2616 45.465 41.350 -16.201 C 603 HIS A 83 HIS~? C 646 ASP A 88 ASP~? C 739 GLY A 79 GLY~? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.49 A TRANSFORM -0.9040 -0.0714 0.4215 0.3631 0.3923 0.8451 -0.2257 0.9170 -0.3287 -12.659 -47.300 -40.068 B 603 HIS A 83 HIS~? B 646 ASP A 88 ASP~? B 739 GLY A 79 GLY~?