*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.61 A TRANSFORM 0.5385 0.0196 -0.8424 0.6826 0.5760 0.4497 -0.4941 0.8172 -0.2968 82.709 -140.204 -139.342 A 420 ALA A 58 ALA~? B 182 GLY A 52 GLY~? B 183 GLY A 53 GLY~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.61 A TRANSFORM 0.4252 -0.3522 0.8338 0.1883 -0.8666 -0.4621 -0.8853 -0.3535 0.3022 13.581 -25.926 -115.877 A 420 ALA B 58 ALA~? B 182 GLY B 52 GLY~? B 183 GLY B 53 GLY~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 0.86 A TRANSFORM 0.8725 0.4855 -0.0550 0.3411 -0.6860 -0.6427 0.3497 -0.5420 0.7641 36.091 71.535 -16.590 A 67 ASP A 27 ASP~? A 68 ALA A 22 ALA~? A 72 LEU A 23 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 0.92 A TRANSFORM 0.4129 -0.9094 0.0491 0.6833 0.3450 0.6434 0.6021 0.2321 -0.7639 95.389 -42.905 26.221 A 67 ASP B 27 ASP~? A 68 ALA B 22 ALA~? A 72 LEU B 23 LEU~? ULMNm 3 1dj1_c00 CYTOCHROME C PEROXIDASE user 1 3 RMSD = 1.09 A TRANSFORM -0.5434 0.8391 -0.0259 -0.2890 -0.1580 0.9442 -0.7882 -0.5206 -0.3284 -30.902 -24.250 42.408 A 48 ALA A 120 ALA^? A 52 HIS A 121 HIS^? A 191 TRP A 59 TRP~? ULMNm 3 1dj1_c00 CYTOCHROME C PEROXIDASE user 2 3 RMSD = 1.09 A TRANSFORM -0.9385 -0.3447 0.0208 -0.1284 0.2926 -0.9476 -0.3205 0.8919 0.3189 21.823 52.507 -56.698 A 48 ALA B 120 ALA^? A 52 HIS B 121 HIS^? A 191 TRP B 59 TRP~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.14 A TRANSFORM -0.5341 0.4465 0.7179 -0.1799 -0.8897 0.4195 -0.8261 -0.0949 -0.5555 -48.701 27.464 177.212 C 70 ALA B 33 ALA~? C 126 LEU B 34 LEU~? C 158 GLU B 18 GLU~? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 4 3 RMSD = 1.14 A TRANSFORM -0.8997 -0.1164 -0.4208 -0.4199 0.4948 0.7609 -0.1196 -0.8612 0.4940 97.972 3.843 107.297 C 95 ASP B 27 ASP~? C 117 GLU B 29 GLU~? C 131 GLU B 25 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.16 A TRANSFORM 0.3446 0.5380 -0.7693 -0.4002 0.8255 0.3980 -0.8492 -0.1707 -0.4998 -5.016 -29.681 178.315 A 70 ALA B 33 ALA~? A 126 LEU B 34 LEU~? A 158 GLU B 18 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.16 A TRANSFORM 0.0940 -0.9956 -0.0064 0.4960 0.0524 -0.8667 -0.8632 -0.0783 -0.4987 22.764 36.039 175.094 B 70 ALA B 33 ALA~? B 126 LEU B 34 LEU~? B 158 GLU B 18 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 11 3 RMSD = 1.17 A TRANSFORM 0.5466 -0.7964 0.2587 -0.6950 -0.2592 0.6707 0.4671 0.5464 0.6952 26.836 5.347 1.910 E 124 ALA B 22 ALA~? E 126 ARG B 60 ARG~? E 138 GLU B 18 GLU~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 10 3 RMSD = 1.17 A TRANSFORM 0.5473 -0.7991 0.2488 0.6952 0.2684 -0.6668 -0.4661 -0.5379 -0.7024 27.392 -3.415 80.082 C 124 ALA B 22 ALA~? C 126 ARG B 60 ARG~? C 138 GLU B 18 GLU~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 11 3 RMSD = 1.18 A TRANSFORM -0.8983 0.1433 0.4153 -0.0900 0.8652 -0.4932 0.4300 0.4805 0.7644 -14.514 -31.696 3.963 D 124 ALA B 22 ALA~? D 126 ARG B 60 ARG~? D 138 GLU B 18 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.19 A TRANSFORM 0.1620 0.8704 0.4649 0.8229 -0.3791 0.4232 -0.5446 -0.3140 0.7777 -60.041 -11.558 140.270 C 70 ALA B 22 ALA~? C 126 LEU B 23 LEU~? C 158 GLU B 20 GLU~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 10 3 RMSD = 1.19 A TRANSFORM 0.3805 0.6255 -0.6812 0.8344 -0.5498 -0.0388 0.3988 0.5536 0.7311 -24.349 24.720 1.279 F 124 ALA B 22 ALA~? F 126 ARG B 60 ARG~? F 138 GLU B 18 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.19 A TRANSFORM -0.8315 -0.1371 -0.5383 -0.2900 0.9337 0.2102 -0.4738 -0.3309 0.8161 31.553 -20.998 137.906 A 70 ALA B 22 ALA~? A 126 LEU B 23 LEU~? A 158 GLU B 20 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.20 A TRANSFORM 0.6208 -0.7673 0.1607 -0.5789 -0.5869 -0.5660 -0.5287 -0.2583 0.8086 -6.627 63.161 137.049 B 70 ALA B 22 ALA~? B 126 LEU B 23 LEU~? B 158 GLU B 20 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.20 A TRANSFORM -0.7006 -0.0392 -0.7125 0.3808 0.8239 -0.4197 -0.6035 0.5653 0.5623 47.613 -8.866 88.577 C 70 ALA A 33 ALA~? C 126 LEU A 34 LEU~? C 158 GLU A 18 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.20 A TRANSFORM 0.9131 0.3105 -0.2643 -0.4056 0.6257 -0.6664 0.0415 -0.7156 -0.6972 2.483 33.170 132.631 E 124 ALA A 22 ALA~? E 126 ARG A 60 ARG~? E 138 GLU A 18 GLU~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.21 A TRANSFORM -0.8085 0.4237 -0.4084 -0.5863 -0.6401 0.4965 0.0511 -0.6409 -0.7659 14.840 -12.867 135.252 D 124 ALA A 22 ALA~? D 126 ARG A 60 ARG~? D 138 GLU A 18 GLU~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.21 A TRANSFORM 0.9150 0.3126 -0.2550 0.4008 -0.6329 0.6625 -0.0457 0.7084 0.7044 1.835 -30.068 -50.646 C 124 ALA A 22 ALA~? C 126 ARG A 60 ARG~? C 138 GLU A 18 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.21 A TRANSFORM -0.0366 -0.6402 0.7673 -0.8155 -0.4247 -0.3932 -0.5776 0.6401 0.5065 -29.554 69.182 88.437 A 70 ALA A 33 ALA~? A 126 LEU A 34 LEU~? A 158 GLU A 18 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.22 A TRANSFORM 0.6671 0.7450 0.0037 0.3748 -0.3398 0.8626 -0.6439 0.5740 0.5059 -58.610 -34.933 92.660 B 70 ALA A 33 ALA~? B 126 LEU A 34 LEU~? B 158 GLU A 18 GLU~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.22 A TRANSFORM -0.0642 -0.7300 0.6804 0.9978 -0.0589 0.0310 -0.0174 -0.6809 -0.7322 -31.610 -1.546 134.356 F 124 ALA A 22 ALA~? F 126 ARG A 60 ARG~? F 138 GLU A 18 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.24 A TRANSFORM -0.4126 -0.7800 -0.4705 0.8744 -0.1944 -0.4446 -0.2553 0.5948 -0.7622 65.333 25.046 177.483 C 70 ALA A 22 ALA~? C 126 LEU A 23 LEU~? C 158 GLU A 20 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.24 A TRANSFORM 0.9566 0.2321 -0.1761 -0.0889 0.8081 0.5822 -0.2775 0.5413 -0.7937 -35.532 -61.477 182.584 B 70 ALA A 22 ALA~? B 126 LEU A 23 LEU~? B 158 GLU A 20 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.24 A TRANSFORM -0.5639 0.6063 0.5608 -0.8037 -0.5591 -0.2036 -0.1901 0.5655 -0.8025 -60.270 69.868 179.797 A 70 ALA A 22 ALA~? A 126 LEU A 23 LEU~? A 158 GLU A 20 GLU~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 11 3 RMSD = 1.25 A TRANSFORM -0.9005 0.1424 0.4110 0.0819 -0.8724 0.4819 -0.4272 -0.4676 -0.7739 -14.282 35.059 77.901 B 124 ALA B 22 ALA~? B 126 ARG B 60 ARG~? B 138 GLU B 18 GLU~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.27 A TRANSFORM -0.8087 0.4272 -0.4044 0.5856 0.6502 -0.4840 -0.0562 0.6282 0.7760 14.457 14.175 -53.225 B 124 ALA A 22 ALA~? B 126 ARG A 60 ARG~? B 138 GLU A 18 GLU~? ULMNm 3 2dbt_c01 CHITINASE C user 8 3 RMSD = 1.36 A TRANSFORM 0.1666 -0.6415 0.7488 0.7414 -0.4192 -0.5241 -0.6501 -0.6425 -0.4057 56.793 103.004 69.289 B 147 GLU B 18 GLU~? B 156 GLU B 20 GLU~? B 194 ASN B 26 ASN~? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 2 3 RMSD = 1.36 A TRANSFORM -0.4900 0.8132 0.3140 -0.5812 -0.0363 -0.8130 0.6497 0.5809 -0.4904 21.524 112.141 88.304 C 95 ASP A 27 ASP~? C 117 GLU A 29 GLU~? C 131 GLU A 25 GLU~? ULMNm 3 2dbt_c01 CHITINASE C user 1 3 RMSD = 1.37 A TRANSFORM 0.5220 0.4187 -0.7431 0.8428 -0.1189 0.5250 -0.1315 0.9003 0.4149 84.514 34.718 -45.113 B 147 GLU A 18 GLU~? B 156 GLU A 20 GLU~? B 194 ASN A 26 ASN~? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 6 3 RMSD = 1.37 A TRANSFORM 0.8634 0.3840 0.3274 0.4829 -0.4405 -0.7568 0.1464 -0.8115 0.5657 -38.558 112.627 69.249 A 53 SER B 110 SER.? A 54 PRO B 111 PRO.? A 96 ASP B 113 ASP.? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 3 3 RMSD = 1.38 A TRANSFORM 0.4969 -0.7891 -0.3611 0.5767 -0.0107 0.8169 0.6485 0.6142 -0.4498 52.573 9.355 55.875 A 53 SER A 110 SER.? A 54 PRO A 111 PRO.? A 96 ASP A 113 ASP.? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 4 3 RMSD = 1.46 A TRANSFORM -0.8329 0.4606 -0.3069 0.5033 0.8609 -0.0740 -0.2302 0.2161 0.9489 49.892 -5.368 -10.916 16 ALA B 120 ALA^? 19 HIS B 121 HIS^? 22 HIS A 121 HIS^? ULMNm 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 6 3 RMSD = 1.46 A TRANSFORM 0.4496 -0.8871 -0.1046 -0.7492 -0.3108 -0.5849 -0.4864 -0.3413 0.8043 67.401 119.808 86.907 B 137 ARG B 57 ARG~? B 141 THR B 38 THR.? B 235 ASP B 27 ASP~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 1 3 RMSD = 1.47 A TRANSFORM -0.9393 0.1465 0.3102 -0.1347 -0.9891 0.0593 -0.3155 -0.0139 -0.9488 32.608 73.959 97.952 16 ALA A 120 ALA^? 19 HIS A 121 HIS^? 22 HIS B 121 HIS^? ULMNm 3 2dbt_c02 CHITINASE C user 9 3 RMSD = 1.49 A TRANSFORM 0.4681 0.0562 0.8819 -0.7641 0.5271 0.3720 0.4439 0.8480 -0.2896 7.044 -11.452 -26.835 C 147 GLU B 18 GLU~? C 156 GLU B 20 GLU~? C 194 ASN B 26 ASN~? ULMNm 3 2dbt_c02 CHITINASE C user 1 3 RMSD = 1.49 A TRANSFORM 0.3415 -0.3180 -0.8845 -0.9264 0.0451 -0.3739 -0.1587 -0.9470 0.2792 115.859 49.627 27.460 C 147 GLU A 18 GLU~? C 156 GLU A 20 GLU~? C 194 ASN A 26 ASN~? ULMNm 3 1joa_c00 NADH PEROXIDASE user 2 3 RMSD = 1.50 A TRANSFORM 0.3790 -0.9251 0.0224 -0.9222 -0.3756 0.0926 0.0772 0.0557 0.9955 107.982 78.955 9.585 10 HIS B 51 HIS^? 41 SER A 88 SER^? 303 ARG A 74 ARG^? ULMNm 3 1joa_c00 NADH PEROXIDASE user 1 3 RMSD = 1.50 A TRANSFORM 0.8548 0.5185 -0.0225 -0.5179 0.8493 -0.1026 0.0341 -0.0994 -0.9945 43.110 31.984 119.560 10 HIS A 51 HIS^? 41 SER B 88 SER^? 303 ARG B 74 ARG^?