*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1j70_c01 ATP SULPHURYLASE user 4 3 RMSD = 0.88 A TRANSFORM 0.0385 -0.9607 0.2748 -0.3208 0.2486 0.9139 -0.9464 -0.1234 -0.2987 -2.079 93.922 49.615 B 197 ARG B 27 ARG.? B 201 HIS A 44 HIS^? B 204 HIS A 85 HIS^? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 4 3 RMSD = 0.91 A TRANSFORM 0.3328 -0.0805 -0.9396 -0.1126 0.9858 -0.1244 0.9362 0.1472 0.3190 38.276 -3.571 -6.972 C 197 ARG B 27 ARG.? C 201 HIS A 44 HIS^? C 204 HIS A 85 HIS^? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 4 3 RMSD = 0.95 A TRANSFORM -0.2059 -0.5405 0.8157 0.2869 -0.8303 -0.4778 0.9356 0.1356 0.3260 -27.720 159.908 -33.594 A 197 ARG B 27 ARG.? A 201 HIS A 44 HIS^? A 204 HIS A 85 HIS^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 3 3 RMSD = 0.96 A TRANSFORM 0.8455 0.3576 0.3965 0.2338 0.4196 -0.8770 -0.4800 0.8343 0.2712 -22.302 22.900 49.030 B 1 SER B 91 SER.? B 69 ALA B 95 ALA^? B 241 ASN B 89 ASN.? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 0.98 A TRANSFORM -0.8608 -0.3201 -0.3956 -0.3543 -0.1812 0.9174 -0.3654 0.9299 0.0426 41.258 30.046 46.787 B 1 SER A 91 SER.? B 69 ALA A 95 ALA^? B 241 ASN A 89 ASN.? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 1 3 RMSD = 1.01 A TRANSFORM -0.0003 0.9951 0.0991 0.0286 -0.0991 0.9947 0.9996 0.0031 -0.0284 -16.123 -36.398 3.221 A 44 ASN A 13 ASN.? A 213 PRO A 14 PRO.? A 219 ASN A 89 ASN.? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 4 3 RMSD = 1.03 A TRANSFORM -0.0642 -0.8242 0.5627 0.3667 -0.5439 -0.7548 0.9281 0.1579 0.3371 -15.731 34.571 15.365 A 197 ARG B 27 ARG.? A 201 HIS A 44 HIS^? A 204 HIS A 85 HIS^? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 3 3 RMSD = 1.07 A TRANSFORM -0.8103 0.5759 0.1087 -0.0764 0.0800 -0.9939 -0.5810 -0.8136 -0.0208 10.718 -17.567 58.278 A 44 ASN B 13 ASN.? A 213 PRO B 14 PRO.? A 219 ASN B 89 ASN.? ULMNm 3 4hn5_d00 TRANSCRIPTION/DNA user 1 3 RMSD = 1.10 A TRANSFORM -0.2551 0.8613 0.4394 0.7424 0.4656 -0.4818 -0.6195 0.2033 -0.7582 -25.412 3.175 58.420 B 442 LYS A 42 LYS^? B 443 VAL A 43 VAL^? B 447 ARG A 63 ARG^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.10 A TRANSFORM -0.1402 0.9610 -0.2383 0.7691 -0.0458 -0.6374 -0.6235 -0.2726 -0.7327 -8.335 -9.481 34.572 141 ASP B 50 ASP^? 166 GLY B 74 GLY.? 169 GLU A 57 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.15 A TRANSFORM -0.1251 0.8932 0.4319 0.3662 -0.3631 0.8568 0.9221 0.2653 -0.2817 -13.747 -4.707 -30.075 141 ASP B 50 ASP^? 166 GLY B 74 GLY.? 169 GLU B 57 GLU^? ULMNm 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.16 A TRANSFORM 0.9757 -0.0796 -0.2043 -0.1109 0.6244 -0.7732 0.1891 0.7770 0.6004 -13.659 -6.442 2.584 A 21 GLN B 39 GLN.? A 41 TYR B 12 TYR.? A 43 ASN B 13 ASN.? ULMNm 3 4hn5_d00 TRANSCRIPTION/DNA user 2 3 RMSD = 1.16 A TRANSFORM -0.4956 0.8532 -0.1626 -0.7992 -0.3746 0.4701 0.3402 0.3629 0.8675 -13.629 47.526 14.261 B 442 LYS B 42 LYS^? B 443 VAL B 43 VAL^? B 447 ARG B 63 ARG^? ULMNm 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.20 A TRANSFORM -0.4279 -0.9020 0.0576 -0.4388 0.2631 0.8592 -0.7902 0.3423 -0.5084 32.348 -6.533 46.548 A 21 GLN A 39 GLN.? A 41 TYR A 12 TYR.? A 43 ASN A 13 ASN.? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 2 3 RMSD = 1.22 A TRANSFORM -0.5372 0.2175 -0.8150 0.3807 -0.7997 -0.4643 -0.7527 -0.5596 0.3468 25.254 -5.781 44.228 A 44 ASN A 89 ASN.? A 213 PRO A 37 PRO.? A 219 ASN A 13 ASN.? ULMNm 3 1cns_c01 CHITINASE user 1 3 RMSD = 1.24 A TRANSFORM -0.8455 -0.1795 0.5029 0.5056 -0.5720 0.6458 0.1718 0.8003 0.5744 30.752 -44.128 30.066 B 67 GLU A 57 GLU^? B 89 GLU A 59 GLU.? B 120 SER A 93 SER.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 14 3 RMSD = 1.25 A TRANSFORM 0.0322 0.9989 0.0350 0.7159 -0.0475 0.6966 0.6975 0.0026 -0.7166 28.598 -4.352 -13.231 A 229 ALA B 55 ALA^? A 257 ALA B 76 ALA^? A 328 ASP A 5 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 RMSD = 1.26 A TRANSFORM -0.8181 0.5254 0.2338 -0.4742 -0.3863 -0.7911 -0.3253 -0.7581 0.5652 56.000 46.980 12.453 A 229 ALA A 55 ALA^? A 257 ALA A 76 ALA^? A 328 ASP B 5 ASP^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 4 3 RMSD = 1.26 A TRANSFORM 0.9685 -0.1973 0.1518 0.2140 0.3485 -0.9125 0.1272 0.9163 0.3798 -23.330 24.508 26.827 B 1 SER B 93 SER.? B 69 ALA B 95 ALA^? B 241 ASN B 89 ASN.? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.27 A TRANSFORM -0.4902 -0.7986 -0.3493 -0.2887 -0.2294 0.9296 -0.8224 0.5565 -0.1181 29.922 28.435 62.598 B 1 SER A 93 SER.? B 69 ALA A 95 ALA^? B 241 ASN A 89 ASN.? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 4 3 RMSD = 1.32 A TRANSFORM 0.2304 0.3467 0.9093 0.5274 -0.8297 0.1827 0.8178 0.4375 -0.3740 -13.178 -16.006 -4.408 A 44 ASN B 89 ASN.? A 213 PRO B 37 PRO.? A 219 ASN B 13 ASN.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.33 A TRANSFORM -0.6636 0.5797 0.4729 -0.4309 -0.8129 0.3919 0.6116 0.0563 0.7892 4.655 23.202 -18.770 141 ASP A 50 ASP^? 166 GLY A 74 GLY.? 169 GLU B 57 GLU^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.37 A TRANSFORM -0.4332 0.7058 0.5605 -0.6697 0.1641 -0.7242 -0.6032 -0.6891 0.4016 14.578 13.152 172.774 C 70 ALA B 55 ALA^? C 126 LEU B 96 LEU^? C 158 GLU B 57 GLU^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.38 A TRANSFORM 0.7381 -0.5568 0.3810 -0.0584 0.5099 0.8583 -0.6721 -0.6558 0.3438 -24.456 32.047 173.704 A 70 ALA B 55 ALA^? A 126 LEU B 96 LEU^? A 158 GLU B 57 GLU^? ULMNm 3 1opm_c00 1.14.17.0003 user 1 3 RMSD = 1.38 A TRANSFORM -0.7448 -0.6419 0.1823 0.0956 -0.3730 -0.9229 0.6604 -0.6700 0.3391 79.236 35.945 36.862 A 108 HIS B 44 HIS^? A 170 GLN B 41 GLN^? A 242 HIS B 46 HIS.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.38 A TRANSFORM -0.3778 -0.2224 -0.8988 0.6644 -0.7412 -0.0959 -0.6448 -0.6334 0.4278 -21.271 -11.615 174.829 B 70 ALA B 55 ALA^? B 126 LEU B 96 LEU^? B 158 GLU B 57 GLU^? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.39 A TRANSFORM -0.6519 0.0612 -0.7558 0.5950 -0.5765 -0.5600 -0.4700 -0.8148 0.3394 -0.549 -2.131 162.516 B 70 ALA A 10 ALA~? B 126 LEU A 96 LEU^? B 158 GLU A 57 GLU^? ULMNm 3 1ef8_c00 METHYLMALONYL COA DECARBOXYLASE user 1 3 RMSD = 1.40 A TRANSFORM -0.8845 -0.0267 -0.4657 0.4192 -0.4836 -0.7684 -0.2047 -0.8749 0.4389 47.899 14.203 6.932 A 66 HIS A 85 HIS^? A 110 GLY A 86 GLY^? A 140 TYR A 53 TYR^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.40 A TRANSFORM 0.8212 -0.5624 -0.0962 0.2268 0.1670 0.9595 -0.5236 -0.8098 0.2647 -27.025 8.437 163.411 A 70 ALA A 10 ALA~? A 126 LEU A 96 LEU^? A 158 GLU A 57 GLU^? ULMNm 3 1ef8_c00 METHYLMALONYL COA DECARBOXYLASE user 2 3 RMSD = 1.40 A TRANSFORM 0.6657 0.4835 0.5684 0.1812 -0.8436 0.5054 0.7239 -0.2334 -0.6492 -11.060 13.445 -16.484 A 66 HIS B 85 HIS^? A 110 GLY B 86 GLY^? A 140 TYR B 53 TYR^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.41 A TRANSFORM -0.2184 0.4074 0.8867 -0.8738 0.3229 -0.3636 -0.4344 -0.8543 0.2855 -5.048 26.199 161.389 C 70 ALA A 10 ALA~? C 126 LEU A 96 LEU^? C 158 GLU A 57 GLU^? ULMNm 3 2ag0_c08 BENZALDEHYDE LYASE user 1 3 RMSD = 1.42 A TRANSFORM 0.4418 -0.8934 -0.0810 0.0290 0.1044 -0.9941 0.8966 0.4369 0.0721 43.137 -0.087 -9.722 B 29 HIS A 85 HIS^? B 50 GLU A 68 GLU^? B 113 GLN A 41 GLN^? ULMNm 3 2ag0_c04 BENZALDEHYDE LYASE user 1 3 RMSD = 1.42 A TRANSFORM 0.4418 -0.8934 -0.0810 0.0290 0.1044 -0.9941 0.8966 0.4369 0.0721 43.137 -0.087 -9.722 B 29 HIS A 85 HIS^? B 50 GLU A 68 GLU^? B 113 GLN A 41 GLN^? ULMNm 3 2ag0_c10 BENZALDEHYDE LYASE user 1 3 RMSD = 1.42 A TRANSFORM -0.3426 0.9250 0.1647 -0.9115 -0.3697 0.1802 0.2275 -0.0884 0.9698 65.925 24.516 7.609 C 29 HIS A 85 HIS^? C 50 GLU A 68 GLU^? C 113 GLN A 41 GLN^? ULMNm 3 2ag0_c11 BENZALDEHYDE LYASE user 1 3 RMSD = 1.42 A TRANSFORM 0.2966 -0.9490 -0.1070 -0.0258 -0.1200 0.9924 -0.9547 -0.2916 -0.0601 47.601 -5.425 47.389 D 29 HIS A 85 HIS^? D 50 GLU A 68 GLU^? D 113 GLN A 41 GLN^? ULMNm 3 2ag0_c09 BENZALDEHYDE LYASE user 1 3 RMSD = 1.43 A TRANSFORM -0.3968 0.9177 0.0208 0.9013 0.3938 -0.1806 -0.1739 -0.0529 -0.9833 68.044 -29.542 26.594 A 29 HIS A 85 HIS^? A 50 GLU A 68 GLU^? A 113 GLN A 41 GLN^? ULMNm 3 1opm_c00 1.14.17.0003 user 2 3 RMSD = 1.43 A TRANSFORM -0.5111 0.1933 -0.8375 0.8328 -0.1294 -0.5382 -0.2124 -0.9726 -0.0948 51.566 9.139 69.800 A 108 HIS B 85 HIS^? A 170 GLN B 41 GLN^? A 242 HIS B 46 HIS.? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 2 3 RMSD = 1.45 A TRANSFORM 0.0255 0.4084 -0.9125 -0.6117 0.7283 0.3089 0.7907 0.5503 0.2683 -9.405 12.266 7.682 54 ASP B 31 ASP^? 158 THR B 101 THR^? 317 ASP A 50 ASP^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.46 A TRANSFORM 0.5655 -0.5542 -0.6107 -0.3805 -0.8323 0.4031 -0.7317 0.0044 -0.6816 95.845 83.399 150.748 D 141 GLY A 65 GLY.? D 144 GLU A 66 GLU.? D 164 GLU A 67 GLU^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.46 A TRANSFORM -0.6064 0.6064 -0.5144 -0.7944 -0.4904 0.3584 -0.0350 0.6259 0.7791 66.574 75.204 137.450 F 141 GLY A 65 GLY.? F 144 GLU A 66 GLU.? F 164 GLU A 67 GLU^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.47 A TRANSFORM -0.6999 0.5376 0.4703 0.3970 0.8401 -0.3696 -0.5938 -0.0720 -0.8014 50.300 101.059 155.178 C 141 GLY A 65 GLY.? C 144 GLU A 66 GLU.? C 164 GLU A 67 GLU^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 15 3 RMSD = 1.48 A TRANSFORM -0.6277 0.7421 -0.2351 -0.0500 0.2629 0.9635 0.7769 0.6165 -0.1279 60.425 21.472 -27.793 A 229 ALA B 72 ALA.? A 257 ALA B 55 ALA^? A 328 ASP A 5 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 13 3 RMSD = 1.49 A TRANSFORM 0.4916 -0.6542 -0.5747 0.4382 -0.3844 0.8125 -0.7525 -0.6513 0.0977 29.462 8.289 41.381 A 229 ALA B 55 ALA^? A 257 ALA B 72 ALA.? A 328 ASP A 5 ASP^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.50 A TRANSFORM 0.5561 0.5304 0.6398 -0.4305 -0.4746 0.7677 0.7109 -0.7024 -0.0356 70.420 75.342 170.217 E 141 GLY A 65 GLY.? E 144 GLU A 66 GLU.? E 164 GLU A 67 GLU^?