*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.03 A TRANSFORM 0.8827 -0.4303 -0.1890 -0.3065 -0.2221 -0.9256 -0.3563 -0.8749 0.3280 9.760 34.386 5.938 141 ASP A 110 ASP.? 166 GLY A 104 GLY^? 169 GLU A 71 GLU.? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 5 3 RMSD = 1.11 A TRANSFORM 0.6341 0.0107 0.7732 -0.3460 -0.8903 0.2960 -0.6916 0.4552 0.5609 -9.047 64.564 87.294 A 270 ASN B 63 ASN.? A 384 ASN A 114 ASN.? A 385 GLU A 34 GLU~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.13 A TRANSFORM 0.8996 0.1078 0.4233 0.4193 0.0580 -0.9060 0.1222 -0.9925 -0.0070 -1.829 74.506 1.756 A 603 HIS A 62 HIS.? A 646 ASP A 110 ASP.? A 739 GLY A 88 GLY.? ULMNm 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 RMSD = 1.13 A TRANSFORM -0.7299 -0.6771 -0.0936 -0.6149 0.5907 0.5224 0.2984 -0.4389 0.8476 30.822 77.460 50.169 B 57 GLU A 116 GLU.? B 226 THR A 65 THR^? B 229 LYS A 92 LYS^? ULMNm 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 RMSD = 1.14 A TRANSFORM -0.5723 0.1485 0.8065 0.7963 0.3355 0.5033 0.1958 -0.9303 0.3102 0.545 28.216 74.040 C 57 GLU A 116 GLU.? C 226 THR A 65 THR^? C 229 LYS A 92 LYS^? ULMNm 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 RMSD = 1.14 A TRANSFORM -0.6215 0.0690 -0.7804 0.6008 -0.5972 -0.5314 0.5027 0.7991 -0.3297 32.585 66.258 52.881 D 57 GLU A 116 GLU.? D 226 THR A 65 THR^? D 229 LYS A 92 LYS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.14 A TRANSFORM -0.7719 0.5475 -0.3231 -0.1041 -0.6102 -0.7854 0.6271 0.5726 -0.5280 -14.957 35.286 -5.396 141 ASP A 4 ASP~? 166 GLY A 16 GLY.? 169 GLU A 34 GLU~? ULMNm 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 RMSD = 1.14 A TRANSFORM -0.4329 0.8932 0.1218 -0.8077 -0.3244 -0.4923 0.4002 0.3115 -0.8619 -3.760 114.766 68.551 A 57 GLU A 116 GLU.? A 226 THR A 65 THR^? A 229 LYS A 92 LYS^? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 1.16 A TRANSFORM -0.9591 -0.2398 -0.1505 0.1796 -0.1042 -0.9782 -0.2189 0.9652 -0.1430 26.933 41.671 1.547 30 GLY B 30 GLY.? 48 HIS A 26 HIS~? 99 ASP A 23 ASP~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.18 A TRANSFORM 0.8766 0.0805 0.4745 0.4656 0.1079 -0.8784 0.1219 -0.9909 -0.0571 -5.126 72.225 66.068 C 603 HIS A 62 HIS.? C 646 ASP A 110 ASP.? C 739 GLY A 88 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.19 A TRANSFORM 0.2335 0.9193 0.3167 0.4937 -0.3927 0.7759 -0.8377 0.0248 0.5456 -50.674 -14.068 -25.892 141 ASP B 4 ASP~? 166 GLY B 16 GLY.? 169 GLU B 34 GLU~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.19 A TRANSFORM -0.9015 0.0731 0.4267 0.3976 0.5297 0.7493 0.1712 -0.8451 0.5065 53.290 -83.880 -33.677 B 37 ASP B 123 ASP~? B 56 ILE B 120 ILE.? B 82 TYR B 51 TYR~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.21 A TRANSFORM -0.7282 0.6087 0.3151 -0.5914 -0.7903 0.1600 -0.3464 0.0698 -0.9355 -31.223 45.624 2.331 B 603 HIS A 62 HIS.? B 646 ASP A 110 ASP.? B 739 GLY A 88 GLY.? ULMNm 3 1a41_c01 TOPOISOMERASE I user 1 3 RMSD = 1.21 A TRANSFORM -0.8500 0.5246 -0.0475 0.5026 0.8347 0.2250 -0.1577 -0.1674 0.9732 -15.509 41.759 -0.341 223 ARG A 115 ARG.? 265 HIS A 56 HIS~? 274 TYR A 125 TYR~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 RMSD = 1.22 A TRANSFORM -0.8978 0.0746 0.4339 0.4096 0.5032 0.7610 0.1616 -0.8610 0.4823 49.916 -67.447 -4.065 A 37 ASP B 123 ASP~? A 56 ILE B 120 ILE.? A 82 TYR B 51 TYR~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.22 A TRANSFORM 0.0819 -0.5169 0.8521 0.8919 -0.3436 -0.2942 -0.4448 -0.7841 -0.4328 25.999 43.816 64.672 A 194 SER A 31 SER.? A 292 ASP A 7 ASP~? A 322 HIS A 62 HIS.? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 6 3 RMSD = 1.29 A TRANSFORM 0.3675 -0.2671 -0.8909 0.9197 0.2468 0.3054 -0.1383 0.9315 -0.3363 57.458 34.129 92.649 A 270 ASN B 69 ASN^? A 384 ASN B 114 ASN.? A 385 GLU B 34 GLU~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.31 A TRANSFORM 0.5765 0.5946 -0.5604 -0.7439 0.0982 -0.6611 0.3380 -0.7980 -0.4989 68.307 -26.200 -12.396 B 37 ASP A 123 ASP~? B 56 ILE A 120 ILE.? B 82 TYR A 51 TYR~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.32 A TRANSFORM 0.0799 -0.9754 -0.2054 -0.9216 -0.1508 0.3577 0.3799 -0.1607 0.9109 57.549 67.228 4.036 B 194 SER A 31 SER.? B 292 ASP A 7 ASP~? B 322 HIS A 62 HIS.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.32 A TRANSFORM 0.5722 0.5933 -0.5662 -0.7372 0.0696 -0.6721 0.3594 -0.8020 -0.4772 65.432 -9.256 15.416 A 37 ASP A 123 ASP~? A 56 ILE A 120 ILE.? A 82 TYR A 51 TYR~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 1.33 A TRANSFORM -0.1142 -0.4470 0.8872 -0.8625 -0.3986 -0.3118 -0.4931 0.8008 0.3400 5.099 70.044 82.617 A 270 ASN A 69 ASN^? A 384 ASN A 114 ASN.? A 385 GLU A 34 GLU~? ULMNm 3 1a41_c01 TOPOISOMERASE I user 2 3 RMSD = 1.34 A TRANSFORM 0.3330 0.9428 0.0188 -0.9289 0.3314 -0.1654 0.1622 -0.0376 -0.9860 -34.915 61.549 57.766 223 ARG B 115 ARG.? 265 HIS B 56 HIS~? 274 TYR B 125 TYR~? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 1 3 RMSD = 1.36 A TRANSFORM -0.6807 0.3212 -0.6584 0.4586 0.8877 -0.0409 -0.5713 0.3298 0.7515 26.830 -4.719 -47.706 B 60 HIS A 26 HIS~? B 84 ASP A 23 ASP~? B 140 GLY B 30 GLY.? ULMNm 3 2p3i_p00 VP4 user 2 3 RMSD = 1.37 A TRANSFORM -0.8985 -0.2214 -0.3790 -0.1050 -0.7300 0.6753 0.4262 -0.6466 -0.6327 84.833 4.575 63.164 A 101 ARG B 127 ARG~? A 188 TYR B 125 TYR~? A 190 SER B 128 SER~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.38 A TRANSFORM -0.4356 -0.8904 0.1320 0.3282 -0.0206 0.9444 0.8382 -0.4547 -0.3012 19.032 -27.788 18.460 141 ASP B 110 ASP.? 166 GLY B 104 GLY^? 169 GLU B 71 GLU.? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 RMSD = 1.38 A TRANSFORM -0.9497 0.0902 -0.2998 0.3111 0.3796 -0.8713 -0.0352 0.9207 0.3886 14.145 39.106 -9.502 E 57 HIS A 26 HIS~? E 102 ASP A 23 ASP~? E 193 GLY B 30 GLY.? ULMNm 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.38 A TRANSFORM 0.1476 -0.8636 0.4821 -0.9887 -0.1162 0.0945 0.0256 0.4906 0.8710 28.132 -5.606 -6.654 A 21 GLN A 44 GLN~? A 41 TYR A 119 TYR.? A 43 ASN A 126 ASN~? ULMNm 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.38 A TRANSFORM 0.4425 -0.7590 -0.4776 0.8314 0.5468 -0.0988 -0.3361 0.3533 -0.8730 61.195 -19.652 46.921 A 21 GLN B 44 GLN~? A 41 TYR B 119 TYR.? A 43 ASN B 126 ASN~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 1 3 RMSD = 1.39 A TRANSFORM 0.4484 0.8852 -0.1240 -0.8584 0.3878 -0.3357 0.2491 -0.2570 -0.9338 92.441 44.468 42.132 B 55 ASP A 7 ASP~? B 58 ASP A 4 ASP~? B 424 GLU A 3 GLU~? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.40 A TRANSFORM 0.3351 0.6830 0.6490 -0.5044 0.7118 -0.4887 0.7958 0.1636 -0.5831 -63.787 74.895 67.388 C 608 ASP B 96 ASP.? C 610 HIS B 26 HIS~? C 661 HIS B 100 HIS.? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 1.40 A TRANSFORM -0.0519 -0.9982 0.0293 0.9598 -0.0418 0.2774 0.2757 -0.0425 -0.9603 -11.613 -26.936 80.054 D 603 HIS B 100 HIS.? D 646 ASP B 96 ASP.? D 739 GLY B 43 GLY~? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.42 A TRANSFORM 0.5456 -0.1674 -0.8212 0.5109 -0.7103 0.4842 0.6643 0.6837 0.3020 105.679 87.262 -34.696 A 608 ASP B 96 ASP.? A 610 HIS B 26 HIS~? A 661 HIS B 100 HIS.? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.43 A TRANSFORM -0.2457 -0.2739 0.9298 -0.9690 0.0961 -0.2278 0.0270 0.9570 0.2890 -40.149 17.061 -16.150 A 603 HIS B 100 HIS.? A 646 ASP B 96 ASP.? A 739 GLY B 43 GLY~? ULMNm 3 1a0j_c13 TRYPSIN user 1 3 RMSD = 1.44 A TRANSFORM 0.0484 0.7974 0.6015 0.8840 -0.3146 0.3459 -0.4650 -0.5150 0.7201 6.847 47.471 47.895 B 57 HIS A 26 HIS~? B 102 ASP A 23 ASP~? B 193 GLY B 30 GLY.? ULMNm 3 1a0j_c15 TRYPSIN user 1 3 RMSD = 1.45 A TRANSFORM 0.0201 0.6127 -0.7901 0.9289 0.2809 0.2415 -0.3699 0.7387 0.5634 11.196 3.176 60.201 D 57 HIS A 26 HIS~? D 102 ASP A 23 ASP~? D 193 GLY B 30 GLY.? ULMNm 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.45 A TRANSFORM -0.4146 -0.6076 -0.6774 0.8937 -0.1315 -0.4290 -0.1716 0.7833 -0.5975 41.210 77.322 97.760 B 137 ARG A 25 ARG~? B 141 THR A 20 THR~? B 235 ASP A 110 ASP.? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.46 A TRANSFORM -0.2953 -0.2836 0.9123 -0.9550 0.0615 -0.2900 -0.0261 0.9570 0.2891 -66.235 20.542 -53.865 B 603 HIS B 100 HIS.? B 646 ASP B 96 ASP.? B 739 GLY B 43 GLY~? ULMNm 3 2odj_o01 PORIN D user 5 3 RMSD = 1.47 A TRANSFORM -0.1153 0.9741 -0.1946 -0.9337 -0.1732 -0.3133 0.3389 -0.1456 -0.9295 -22.818 -9.459 108.267 B 156 HIS A 100 HIS.? B 208 ASP A 96 ASP.? B 296 SER A 79 SER~? ULMNm 3 1a0j_c14 TRYPSIN user 1 3 RMSD = 1.47 A TRANSFORM 0.7374 -0.6615 -0.1368 0.3956 0.2587 0.8812 0.5475 0.7040 -0.4524 57.767 12.669 66.325 C 57 HIS A 26 HIS~? C 102 ASP A 23 ASP~? C 193 GLY B 30 GLY.? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 1.47 A TRANSFORM 0.8367 0.2823 -0.4693 -0.3131 0.9496 0.0129 -0.4493 -0.1362 -0.8829 20.922 1.837 44.625 A 57 HIS A 26 HIS~? A 102 ASP A 23 ASP~? A 193 GLY B 30 GLY.? ULMNm 3 1a0j_c12 TRYPSIN user 1 3 RMSD = 1.49 A TRANSFORM -0.6994 -0.7126 0.0553 -0.3750 0.3001 -0.8771 -0.6084 0.6342 0.4771 42.429 54.255 30.715 A 57 HIS A 26 HIS~? A 102 ASP A 23 ASP~? A 193 GLY B 30 GLY.? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.49 A TRANSFORM -0.0978 -0.9952 0.0029 0.9638 -0.0940 0.2494 0.2479 -0.0272 -0.9684 43.798 -24.127 41.803 C 603 HIS B 100 HIS.? C 646 ASP B 96 ASP.? C 739 GLY B 43 GLY~? ULMNm 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 RMSD = 1.49 A TRANSFORM 0.6612 -0.2089 0.7205 -0.6212 -0.6909 0.3698 -0.4206 0.6921 0.5866 -9.535 72.034 58.171 B 137 ARG B 25 ARG~? B 141 THR B 20 THR~? B 235 ASP B 110 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.50 A TRANSFORM 0.3996 -0.1174 0.9091 0.8715 0.3562 -0.3371 0.2842 -0.9270 -0.2447 -26.105 -9.894 25.608 14 ASP A 23 ASP~? 16 HIS A 26 HIS~? 67 GLY B 104 GLY^?