*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1cns_c01 CHITINASE user 9 3 RMSD = 0.73 A TRANSFORM -0.0856 0.9933 0.0773 -0.4083 -0.1057 0.9067 0.9088 0.0461 0.4146 -23.098 -15.450 19.195 B 67 GLU A 183 GLU~? B 89 GLU A 189 GLU~? B 120 SER A 72 SER^? ULMNm 3 1cns_c01 CHITINASE user 3 3 RMSD = 0.86 A TRANSFORM -0.7444 -0.3129 -0.5899 0.0212 -0.8941 0.4474 -0.6674 0.3206 0.6722 52.732 5.330 34.741 B 67 GLU A 69 GLU^? B 89 GLU A 183 GLU~? B 120 SER A 98 SER^? ULMNm 3 3b21_o00 SHIGELLA FLEXNERI EFFECTOR OSPI user 1 3 RMSD = 1.09 A TRANSFORM 0.6702 -0.5664 0.4796 -0.4415 -0.8237 -0.3558 0.5966 0.0267 -0.8021 14.215 53.098 13.765 A 62 CYH A 51 CYH.? A 145 HIS A 112 HIS.? A 160 ASP A 20 ASP~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 1.18 A TRANSFORM -0.7406 0.6197 0.2596 0.0494 -0.3351 0.9409 0.6701 0.7097 0.2176 6.698 17.501 -6.273 30 GLY A 124 GLY.? 48 HIS A 178 HIS^? 99 ASP A 45 ASP^? ULMNm 3 1hrk_c00 FERROCHELATASE user 8 3 RMSD = 1.19 A TRANSFORM -0.2648 0.2536 -0.9304 -0.4351 -0.8924 -0.1194 -0.8606 0.3731 0.3467 -6.002 45.252 -10.799 A 263 HIS A 178 HIS^? A 341 HIS A 117 HIS^? A 343 GLU A 119 GLU^? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 3 3 RMSD = 1.19 A TRANSFORM -0.9189 0.3670 0.1446 0.0244 0.4189 -0.9077 -0.3937 -0.8306 -0.3939 38.781 28.348 32.210 A 46 HIS A 46 HIS^? A 105 GLU A 119 GLU^? A 109 HIS A 178 HIS^? ULMNm 3 1hrk_c01 FERROCHELATASE user 8 3 RMSD = 1.19 A TRANSFORM 0.2516 -0.2555 0.9335 0.4412 0.8888 0.1244 -0.8614 0.3805 0.3364 7.674 -45.288 -11.016 B 263 HIS A 178 HIS^? B 341 HIS A 117 HIS^? B 343 GLU A 119 GLU^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 RMSD = 1.20 A TRANSFORM -0.6736 0.6094 0.4183 0.4655 -0.0898 0.8805 0.5741 0.7878 -0.2232 26.747 -0.037 24.160 412 GLU A 101 GLU^? 516 HIS A 178 HIS^? 559 HIS A 46 HIS^? ULMNm 3 1lci_c00 LUCIFERASE user 1 3 RMSD = 1.21 A TRANSFORM 0.5457 0.3814 -0.7462 0.8307 -0.1291 0.5415 0.1102 -0.9154 -0.3873 15.226 77.392 85.144 218 ARG A 79 ARG^? 245 HIS A 52 HIS.? 343 THR A 56 THR~? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 4 3 RMSD = 1.22 A TRANSFORM 0.5031 -0.2106 -0.8382 0.7771 0.5345 0.3321 0.3781 -0.8185 0.4326 -11.045 36.244 41.357 A 104 ILE A 120 ILE^? A 106 HIS A 178 HIS^? A 142 ASP A 45 ASP^? ULMNm 3 1cns_c00 CHITINASE user 5 3 RMSD = 1.22 A TRANSFORM 0.6602 -0.5607 -0.4998 -0.6731 -0.7369 -0.0625 -0.3333 0.3776 -0.8639 -13.793 50.517 71.902 A 67 GLU A 183 GLU~? A 89 GLU A 189 GLU~? A 120 SER A 72 SER^? ULMNm 3 1a0j_c01 TRYPSIN user 1 3 RMSD = 1.25 A TRANSFORM -0.9567 -0.2909 -0.0113 0.1182 -0.4237 0.8981 -0.2660 0.8578 0.4397 66.046 46.284 22.398 B 57 HIS A 46 HIS^? B 102 ASP A 45 ASP^? B 195 SER A 48 SER^? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 2 3 RMSD = 1.26 A TRANSFORM 0.1908 -0.4946 -0.8479 -0.6834 0.5532 -0.4764 0.7047 0.6704 -0.2324 31.687 11.349 -3.175 86 HIS A 117 HIS^? 89 GLU A 116 GLU^? 243 ASN A 74 ASN^? ULMNm 3 1a0j_c00 TRYPSIN user 1 3 RMSD = 1.26 A TRANSFORM 0.3114 0.9502 -0.0100 0.3775 -0.1334 -0.9164 -0.8721 0.2816 -0.4002 -9.463 52.607 68.850 A 57 HIS A 46 HIS^? A 102 ASP A 45 ASP^? A 195 SER A 48 SER^? ULMNm 3 2odj_o01 PORIN D user 4 3 RMSD = 1.26 A TRANSFORM -0.2348 -0.5623 -0.7929 0.6220 -0.7137 0.3220 -0.7470 -0.4176 0.5174 20.989 -11.238 90.235 B 156 HIS A 94 HIS.? B 208 ASP A 45 ASP^? B 296 SER A 10 SER~? ULMNm 3 1a0j_c03 TRYPSIN user 1 3 RMSD = 1.29 A TRANSFORM 0.1634 -0.5797 -0.7983 -0.2030 -0.8116 0.5478 -0.9654 0.0726 -0.2503 35.467 37.162 109.046 D 57 HIS A 46 HIS^? D 102 ASP A 45 ASP^? D 195 SER A 48 SER^? ULMNm 3 1a0j_c02 TRYPSIN user 1 3 RMSD = 1.29 A TRANSFORM 0.6719 -0.2673 0.6907 -0.7395 -0.1923 0.6450 -0.0396 -0.9442 -0.3269 25.506 48.675 108.934 C 57 HIS A 46 HIS^? C 102 ASP A 45 ASP^? C 195 SER A 48 SER^? ULMNm 3 2xmz_o00 HYDROLASE, ALPHA/BETA HYDROLASE FOLDuser 1 3 RMSD = 1.31 A TRANSFORM 0.2957 -0.4422 -0.8468 -0.7442 -0.6623 0.0860 -0.5989 0.6048 -0.5249 37.022 35.353 15.983 A 89 SER A 48 SER^? A 216 ASP A 45 ASP^? A 243 HIS A 46 HIS^? ULMNm 3 1chm_c01 CREATINE AMIDINOHYDROLASE (E.C.3.5.3user 2 3 RMSD = 1.33 A TRANSFORM -0.4794 0.8101 0.3375 0.8084 0.2580 0.5291 0.3415 0.5265 -0.7786 22.780 55.687 32.326 B 232 HIS A 178 HIS^? B 262 GLU A 184 GLU~? B 358 GLU A 183 GLU~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 1 3 RMSD = 1.33 A TRANSFORM 0.3262 0.3030 0.8954 0.3152 0.8582 -0.4052 -0.8912 0.4144 0.1844 -63.045 26.375 79.687 A 130 SER A 32 SER~? A 166 PHE A 24 PHE~? A 182 PHE A 97 PHE^? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.33 A TRANSFORM 0.7874 -0.1335 -0.6018 0.5900 -0.1191 0.7985 -0.1783 -0.9839 -0.0150 1.624 22.240 104.710 C 107 ASP A 45 ASP^? C 246 ASP A 125 ASP~? C 275 HIS A 178 HIS^? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 1 3 RMSD = 1.33 A TRANSFORM -0.1028 0.8719 0.4787 -0.4241 -0.4738 0.7718 0.8997 -0.1237 0.4185 -50.483 57.221 37.805 D 130 SER A 32 SER~? D 166 PHE A 24 PHE~? D 182 PHE A 97 PHE^? ULMNm 3 1qj4_c00 HYDROXYNITRILE LYASE user 1 3 RMSD = 1.35 A TRANSFORM 0.1416 -0.2680 -0.9530 0.3942 0.8983 -0.1941 0.9081 -0.3482 0.2328 38.665 20.083 14.635 A 80 SER A 48 SER^? A 207 ASP A 45 ASP^? A 235 HIS A 46 HIS^? ULMNm 3 1rtf_c03 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 RMSD = 1.36 A TRANSFORM 0.6165 -0.7739 0.1448 -0.2407 -0.3603 -0.9013 0.7497 0.5208 -0.4084 11.082 54.128 21.347 B 57 HIS A 46 HIS^? B 102 ASP A 45 ASP^? B 195 SER A 48 SER^? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 1.36 A TRANSFORM -0.2982 0.9330 -0.2013 -0.9049 -0.3435 -0.2515 -0.3038 0.1071 0.9467 17.808 54.915 -16.308 A 46 HIS A 46 HIS^? A 105 GLU A 101 GLU^? A 109 HIS A 117 HIS^? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 1 3 RMSD = 1.36 A TRANSFORM 0.1353 0.9676 -0.2131 0.9429 -0.1918 -0.2724 -0.3045 -0.1640 -0.9383 -14.717 14.899 49.574 41 HIS A 87 HIS^? 62 GLU A 88 GLU^? 101 HIS A 2 HIS.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.36 A TRANSFORM -0.1928 -0.5996 -0.7767 -0.7315 -0.4397 0.5211 -0.6540 0.6687 -0.3539 14.543 12.704 -8.771 141 ASP A 139 ASP~? 166 GLY A 171 GLY.? 169 GLU A 116 GLU^? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 1 3 RMSD = 1.36 A TRANSFORM 0.3295 -0.4994 -0.8012 -0.3078 -0.8591 0.4089 -0.8926 0.1119 -0.4368 12.160 75.038 60.377 C 130 SER A 32 SER~? C 166 PHE A 24 PHE~? C 182 PHE A 97 PHE^? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 7 3 RMSD = 1.36 A TRANSFORM -0.3394 0.5316 -0.7760 0.7383 0.6617 0.1304 0.5828 -0.5287 -0.6171 38.562 3.850 16.640 A 46 HIS A 117 HIS^? A 105 GLU A 119 GLU^? A 109 HIS A 46 HIS^? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 1 3 RMSD = 1.40 A TRANSFORM -0.5011 -0.5848 -0.6379 0.4233 0.4772 -0.7701 0.7548 -0.6559 0.0084 -0.702 44.271 103.067 B 130 SER A 32 SER~? B 166 PHE A 24 PHE~? B 182 PHE A 97 PHE^? ULMNm 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 3 3 RMSD = 1.41 A TRANSFORM -0.8619 0.4080 -0.3012 -0.4856 -0.4928 0.7220 0.1462 0.7685 0.6229 21.169 93.053 51.801 A 44 THR A 174 THR^? A 45 THR A 169 THR^? A 161 LYS A 108 LYS.? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 3 3 RMSD = 1.41 A TRANSFORM 0.9387 -0.2102 0.2734 0.1113 0.9350 0.3367 -0.3264 -0.2856 0.9010 3.276 -19.614 11.897 159 ARG A 50 ARG^? 229 SER A 48 SER^? 325 GLU A 116 GLU^? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.42 A TRANSFORM 0.3406 -0.9147 -0.2176 0.8025 0.1622 0.5742 -0.4899 -0.3702 0.7893 -4.553 22.669 -17.995 A 220 HIS A 112 HIS.? A 250 ASP A 20 ASP~? A 328 SER A 48 SER^? ULMNm 3 1cns_c00 CHITINASE user 3 3 RMSD = 1.42 A TRANSFORM 0.2194 0.9180 0.3304 0.9620 -0.2599 0.0833 0.1623 0.2995 -0.9402 -71.200 -5.596 73.331 A 67 GLU A 69 GLU^? A 89 GLU A 183 GLU~? A 120 SER A 98 SER^? ULMNm 3 2io9_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 1.43 A TRANSFORM -0.5521 -0.5822 -0.5968 0.5668 0.2629 -0.7808 0.6115 -0.7694 0.1849 23.121 9.345 46.429 B 59 CYH A 67 CYH.? B 131 HIS A 87 HIS^? B 147 GLU A 69 GLU^? ULMNm 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 3 3 RMSD = 1.43 A TRANSFORM 0.8791 -0.3807 0.2869 0.2416 -0.1631 -0.9566 0.4109 0.9102 -0.0515 11.873 143.517 71.195 B 44 THR A 174 THR^? B 45 THR A 169 THR^? B 161 LYS A 108 LYS.? ULMNm 3 2io8_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 1.43 A TRANSFORM 0.4918 -0.3157 -0.8114 -0.5839 -0.8109 -0.0384 -0.6459 0.4927 -0.5832 27.375 18.202 14.002 A 59 CYH A 67 CYH.? A 131 HIS A 87 HIS^? A 147 GLU A 69 GLU^? ULMNm 3 1chm_c00 CREATINE AMIDINOHYDROLASE (E.C.3.5.3user 2 3 RMSD = 1.43 A TRANSFORM 0.2970 -0.9545 0.0277 -0.8292 -0.2722 -0.4881 0.4735 0.1220 -0.8723 53.045 82.657 39.988 A 232 HIS A 178 HIS^? A 262 GLU A 184 GLU~? A 358 GLU A 183 GLU~? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 1 3 RMSD = 1.43 A TRANSFORM 0.4524 0.6109 0.6497 0.7518 0.1307 -0.6463 -0.4797 0.7809 -0.4001 -11.009 30.341 -26.375 B 60 HIS A 112 HIS.? B 84 ASP A 20 ASP~? B 140 GLY A 171 GLY.? ULMNm 3 1ysc_c01 SERINE CARBOXYPEPTIDASE (CPY, CPD-Y,user 1 3 RMSD = 1.43 A TRANSFORM -0.4447 0.8922 -0.0785 -0.6344 -0.2519 0.7308 0.6323 0.3748 0.6780 24.863 -0.908 7.026 146 SER A 48 SER^? 338 ASP A 45 ASP^? 397 HIS A 46 HIS^? ULMNm 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 1 3 RMSD = 1.44 A TRANSFORM 0.0668 -0.8203 0.5681 0.2247 -0.5424 -0.8095 0.9721 0.1818 0.1481 97.015 93.490 41.163 32 ASP A 45 ASP^? 64 HIS A 46 HIS^? 221 SER A 48 SER^? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.44 A TRANSFORM 0.6001 0.3422 -0.7230 0.3560 -0.9237 -0.1416 -0.7163 -0.1724 -0.6761 -53.221 90.166 4.884 B 220 HIS A 112 HIS.? B 250 ASP A 20 ASP~? B 328 SER A 48 SER^? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.44 A TRANSFORM 0.8000 0.0782 0.5949 0.5587 0.2648 -0.7860 -0.2190 0.9611 0.1682 -70.026 47.759 -67.829 C 220 HIS A 112 HIS.? C 250 ASP A 20 ASP~? C 328 SER A 48 SER^? ULMNm 3 1a7u_c03 CHLOROPEROXIDASE T user 1 3 RMSD = 1.44 A TRANSFORM -0.3186 0.6667 -0.6738 -0.8603 -0.5018 -0.0897 -0.3979 0.5511 0.7334 23.377 95.087 -20.943 B 98 SER A 48 SER^? B 228 ASP A 45 ASP^? B 257 HIS A 46 HIS^? ULMNm 3 2io9_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 1.44 A TRANSFORM 0.5296 -0.3316 -0.7807 -0.5816 -0.8120 -0.0496 -0.6175 0.4803 -0.6229 26.164 18.615 14.771 A 59 CYH A 67 CYH.? A 131 HIS A 87 HIS^? A 147 GLU A 69 GLU^? ULMNm 3 1a7u_c02 CHLOROPEROXIDASE T user 1 3 RMSD = 1.45 A TRANSFORM -0.9573 0.2455 0.1528 -0.2202 -0.9613 0.1654 0.1875 0.1247 0.9743 8.436 68.788 12.185 A 98 SER A 48 SER^? A 228 ASP A 45 ASP^? A 257 HIS A 46 HIS^? ULMNm 3 2io8_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 1.45 A TRANSFORM -0.5609 -0.5988 -0.5716 0.5453 0.2522 -0.7994 0.6229 -0.7601 0.1851 23.285 10.656 46.123 B 59 CYH A 67 CYH.? B 131 HIS A 87 HIS^? B 147 GLU A 69 GLU^? ULMNm 3 2iob_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 1.45 A TRANSFORM 0.5863 -0.5174 0.6234 -0.7125 -0.6955 0.0928 0.3855 -0.4985 -0.7764 35.000 13.625 60.226 A 59 CYH A 67 CYH.? A 131 HIS A 87 HIS^? A 147 GLU A 69 GLU^? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 2 3 RMSD = 1.48 A TRANSFORM -0.1169 0.8477 0.5174 0.2033 -0.4895 0.8480 0.9721 0.2043 -0.1151 78.418 48.623 11.507 B 55 ASP A 20 ASP~? B 58 ASP A 16 ASP~? B 424 GLU A 113 GLU.? ULMNm 3 1pfq_c00 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.49 A TRANSFORM 0.7291 -0.4818 0.4860 -0.6082 -0.7818 0.1373 0.3139 -0.3957 -0.8631 -7.826 33.341 29.294 A 630 SER A 48 SER^? A 708 ASP A 45 ASP^? A 740 HIS A 46 HIS^? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 3 3 RMSD = 1.49 A TRANSFORM 0.9686 0.0988 0.2283 0.1742 -0.9246 -0.3387 0.1776 0.3679 -0.9128 -5.534 47.562 18.288 86 HIS A 117 HIS^? 89 GLU A 116 GLU^? 243 ASN A 130 ASN~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.49 A TRANSFORM 0.3771 0.8901 0.2558 0.6242 -0.0403 -0.7802 -0.6842 0.4539 -0.5708 41.523 42.778 -22.957 B 311 HIS A 46 HIS^? B 341 GLU A 101 GLU^? B 356 HIS A 178 HIS^? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.49 A TRANSFORM -0.3184 0.9172 -0.2396 0.6803 0.0450 -0.7316 -0.6602 -0.3959 -0.6382 100.143 37.563 48.793 A 311 HIS A 46 HIS^? A 341 GLU A 101 GLU^? A 356 HIS A 178 HIS^? ULMNm 3 1tah_c00 LIPASE user 1 3 RMSD = 1.49 A TRANSFORM 0.2583 0.0398 0.9653 0.9042 -0.3617 -0.2270 0.3401 0.9314 -0.1294 2.241 -91.088 -36.198 B 87 SER A 48 SER^? B 263 ASP A 45 ASP^? B 285 HIS A 46 HIS^? ULMNm 3 1tah_c02 LIPASE user 1 3 RMSD = 1.50 A TRANSFORM -0.6587 0.6296 -0.4121 0.6534 0.7501 0.1017 0.3732 -0.2023 -0.9055 -16.870 -96.529 33.554 C 87 SER A 48 SER^? C 263 ASP A 45 ASP^? C 285 HIS A 46 HIS^? ULMNm 3 1tah_c01 LIPASE user 1 3 RMSD = 1.50 A TRANSFORM -0.1239 0.1078 0.9864 -0.9894 0.0631 -0.1311 -0.0764 -0.9922 0.0989 3.187 -48.769 22.729 A 87 SER A 48 SER^? A 263 ASP A 45 ASP^? A 285 HIS A 46 HIS^? ULMNm 3 1tah_c03 LIPASE user 1 3 RMSD = 1.50 A TRANSFORM -0.6301 -0.3271 -0.7043 0.1546 0.8360 -0.5266 0.7610 -0.4406 -0.4761 -6.089 -74.597 -2.763 D 87 SER A 48 SER^? D 263 ASP A 45 ASP^? D 285 HIS A 46 HIS^? ULMNm 3 1pfq_c01 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.50 A TRANSFORM -0.1790 0.8560 -0.4851 -0.9632 -0.2530 -0.0910 -0.2006 0.4509 0.8697 -10.801 30.731 11.807 B 630 SER A 48 SER^? B 708 ASP A 45 ASP^? B 740 HIS A 46 HIS^? ULMNm 3 1grc_c03 GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMuser 1 3 RMSD = 1.50 A TRANSFORM -0.1935 -0.5605 0.8052 0.7255 -0.6343 -0.2671 0.6605 0.5325 0.5294 56.411 119.502 -15.423 B 106 ASN A 163 ASN.? B 108 HIS A 178 HIS^? B 144 ASP A 125 ASP~?