*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.68 A TRANSFORM 0.8842 0.0046 -0.4672 0.4221 -0.4367 0.7944 0.2004 0.8996 0.3881 27.865 -101.439 -155.315 A 420 ALA A 128 ALA~? B 182 GLY B 124 GLY.? B 183 GLY B 125 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.71 A TRANSFORM -0.2044 -0.1604 0.9657 0.9657 0.1284 0.2258 0.1602 -0.9787 -0.1286 33.895 -117.280 -105.861 A 420 ALA B 128 ALA~? B 182 GLY A 124 GLY.? B 183 GLY A 125 GLY.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.95 A TRANSFORM -0.1393 -0.9858 0.0940 -0.6715 0.0243 -0.7406 -0.7278 0.1663 0.6653 110.934 128.822 149.221 B 141 GLY A 125 GLY.? B 144 GLU B 130 GLU~? B 164 GLU A 130 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 0.97 A TRANSFORM -0.7491 -0.6568 0.0863 -0.4492 0.5993 0.6626 0.4869 -0.4576 0.7440 19.282 1.177 4.267 141 ASP A 18 ASP.? 166 GLY B 125 GLY.? 169 GLU B 71 GLU.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.98 A TRANSFORM -0.2248 0.5122 0.8290 -0.7322 0.4725 -0.4905 0.6429 0.7172 -0.2688 38.493 107.095 116.262 C 141 GLY A 125 GLY.? C 144 GLU B 130 GLU~? C 164 GLU A 130 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.98 A TRANSFORM 0.0150 0.9999 -0.0035 0.6688 -0.0074 0.7434 -0.7433 0.0135 0.6689 35.064 55.895 155.420 F 141 GLY A 125 GLY.? F 144 GLU B 130 GLU~? F 164 GLU A 130 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.99 A TRANSFORM 0.3520 -0.3724 -0.8587 0.7084 -0.4936 0.5044 0.6117 0.7859 -0.0901 99.903 78.688 110.147 D 141 GLY A 125 GLY.? D 144 GLU B 130 GLU~? D 164 GLU A 130 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.00 A TRANSFORM -0.3192 -0.6799 0.6602 0.6150 -0.6786 -0.4015 -0.7210 -0.2779 -0.6348 8.489 16.425 22.636 141 ASP A 72 ASP.? 166 GLY A 129 GLY~? 169 GLU B 70 GLU.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.00 A TRANSFORM -0.9248 -0.3287 0.1915 0.3270 -0.4299 0.8416 0.1942 -0.8409 -0.5051 104.964 78.072 192.335 E 141 GLY A 125 GLY.? E 144 GLU B 130 GLU~? E 164 GLU A 130 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.03 A TRANSFORM 0.3301 0.9429 0.0452 -0.8826 0.3252 -0.3395 0.3348 -0.0722 -0.9395 59.450 121.076 154.499 B 141 GLY B 125 GLY.? B 144 GLU A 130 GLU~? B 164 GLU B 130 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.06 A TRANSFORM 0.5356 -0.5762 -0.6174 -0.8051 -0.1279 -0.5792 -0.2548 -0.8073 0.5324 66.541 123.052 157.415 C 141 GLY B 125 GLY.? C 144 GLU A 130 GLU~? C 164 GLU B 130 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.07 A TRANSFORM -0.2884 -0.9378 -0.1934 0.8805 -0.3391 0.3313 0.3763 0.0747 -0.9235 86.600 64.449 152.737 F 141 GLY B 125 GLY.? F 144 GLU A 130 GLU~? F 164 GLU B 130 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.07 A TRANSFORM -0.5641 0.4138 0.7145 0.8166 0.1517 0.5568 -0.1220 -0.8976 0.4235 79.987 61.508 155.351 D 141 GLY B 125 GLY.? D 144 GLU A 130 GLU~? D 164 GLU B 130 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.08 A TRANSFORM -0.0132 0.5429 -0.8397 0.9878 0.1376 0.0734 -0.1554 0.8285 0.5380 81.059 62.425 148.521 E 141 GLY B 125 GLY.? E 144 GLU A 130 GLU~? E 164 GLU B 130 GLU~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.15 A TRANSFORM -0.3375 0.8400 -0.4249 -0.9292 -0.2249 0.2935 -0.1509 -0.4939 -0.8563 33.472 71.846 -29.470 D 465 GLY A 44 GLY^? D 501 ASP A 18 ASP.? E 367 TYR A 145 TYR~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.15 A TRANSFORM -0.9651 0.1025 0.2410 -0.1502 -0.9705 -0.1888 -0.2145 0.2184 -0.9520 52.356 111.008 45.538 B 194 SER B 78 SER^? B 292 ASP B 87 ASP~? B 322 HIS B 36 HIS~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.18 A TRANSFORM -0.0531 0.0656 -0.9964 0.0888 0.9942 0.0607 -0.9946 0.0853 0.0586 50.560 58.457 51.213 B 194 SER A 78 SER^? B 292 ASP A 87 ASP~? B 322 HIS A 36 HIS~? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 3 3 RMSD = 1.19 A TRANSFORM 0.8082 -0.5803 0.1005 -0.1719 -0.0694 0.9827 0.5632 0.8115 0.1558 1.749 1.099 -11.389 159 ARG B 133 ARG~? 229 SER A 120 SER^? 325 GLU B 105 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.21 A TRANSFORM -0.7561 -0.6421 0.1269 -0.3430 0.5538 0.7587 0.5574 -0.5301 0.6390 20.032 0.929 4.763 141 ASP A 18 ASP.? 166 GLY B 124 GLY.? 169 GLU B 71 GLU.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.22 A TRANSFORM -0.7683 0.4903 0.4114 -0.0102 -0.6520 0.7581 -0.6400 -0.5783 -0.5059 11.257 -10.465 10.130 14 ASP A 39 ASP.? 16 HIS A 36 HIS~? 67 GLY A 49 GLY^? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.25 A TRANSFORM 0.9214 -0.2753 0.2744 0.1644 0.9157 0.3666 0.3522 0.2926 -0.8890 -60.284 -49.619 32.997 D 603 HIS B 68 HIS.? D 646 ASP B 72 ASP.? D 739 GLY B 44 GLY^? ULMNm 3 1qrz_c21 PLASMINOGEN user 3 3 RMSD = 1.26 A TRANSFORM -0.0355 -0.3827 0.9232 -0.1756 -0.9070 -0.3827 -0.9838 0.1756 0.0350 -37.194 43.574 7.267 B 603 HIS B 68 HIS.? B 646 ASP B 72 ASP.? B 739 GLY B 44 GLY^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 5 3 RMSD = 1.27 A TRANSFORM -0.5644 -0.0715 -0.8224 -0.3441 0.9259 0.1556 -0.7504 -0.3709 0.5472 74.752 8.280 58.358 A 194 SER B 78 SER^? A 292 ASP B 87 ASP~? A 322 HIS B 36 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.27 A TRANSFORM -0.8130 -0.4386 -0.3830 -0.2545 0.8593 -0.4437 -0.5237 0.2632 0.8102 16.785 -2.238 0.363 141 ASP A 18 ASP.? 166 GLY B 125 GLY.? 169 GLU A 105 GLU.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.29 A TRANSFORM -0.8723 0.4078 -0.2699 -0.2316 -0.8306 -0.5065 0.4307 0.3793 -0.8189 62.877 54.262 34.924 A 194 SER A 78 SER^? A 292 ASP A 87 ASP~? A 322 HIS A 36 HIS~? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 2 3 RMSD = 1.32 A TRANSFORM 0.4890 0.3172 0.8126 0.8666 -0.0702 -0.4941 0.0997 -0.9458 0.3092 -21.473 0.155 34.740 159 ARG A 133 ARG~? 229 SER B 120 SER^? 325 GLU A 105 GLU.? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.32 A TRANSFORM 0.9172 -0.3151 0.2440 0.2190 0.9100 0.3522 0.3330 0.2696 -0.9036 -4.382 -50.648 -3.855 C 603 HIS B 68 HIS.? C 646 ASP B 72 ASP.? C 739 GLY B 44 GLY^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.33 A TRANSFORM 0.4208 0.8337 -0.3575 0.8877 -0.2974 0.3514 -0.1867 0.4652 0.8653 10.734 -6.760 37.927 A 316 ALA A 59 ALA^? A 317 GLY A 57 GLY.? A 318 ASP A 143 ASP~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.33 A TRANSFORM -0.9742 0.1895 -0.1223 -0.1898 -0.9818 -0.0091 0.1218 -0.0143 -0.9925 69.502 134.820 137.553 C 141 GLY B 124 GLY.? C 144 GLU B 70 GLU.? C 164 GLU B 71 GLU.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.34 A TRANSFORM 0.9823 -0.1741 -0.0693 0.1772 0.9832 0.0426 -0.0607 0.0541 -0.9967 73.087 50.475 136.052 D 141 GLY B 124 GLY.? D 144 GLU B 70 GLU.? D 164 GLU B 71 GLU.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.34 A TRANSFORM -0.4425 -0.8204 0.3622 0.6730 -0.0368 0.7387 0.5927 -0.5706 -0.5684 54.901 -13.142 65.106 A 316 ALA B 59 ALA^? A 317 GLY B 57 GLY.? A 318 ASP B 143 ASP~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.34 A TRANSFORM -0.4919 -0.3681 -0.7890 -0.2585 0.9271 -0.2713 -0.8314 -0.0705 0.5513 79.049 51.181 170.373 F 141 GLY B 124 GLY.? F 144 GLU B 70 GLU.? F 164 GLU B 71 GLU.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.35 A TRANSFORM 0.3618 0.3441 0.8664 0.2440 -0.9319 0.2683 -0.8998 -0.1143 0.4211 69.694 134.340 170.568 B 141 GLY B 124 GLY.? B 144 GLU B 70 GLU.? B 164 GLU B 71 GLU.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.36 A TRANSFORM 0.5341 -0.1279 0.8357 0.6936 -0.4989 -0.5197 -0.4834 -0.8572 0.1778 2.104 2.736 34.689 B 46 HIS B 107 HIS^? B 163 ALA B 119 ALA^? B 182 SER B 120 SER^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 7 3 RMSD = 1.36 A TRANSFORM -0.6235 0.7691 -0.1403 -0.1110 0.0905 0.9897 -0.7739 -0.6326 -0.0290 35.078 -3.749 47.130 A 229 ALA B 142 ALA~? A 257 ALA B 59 ALA^? A 328 ASP B 147 ASP~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.37 A TRANSFORM -0.3833 -0.3675 0.8474 -0.2728 0.9215 0.2763 0.8824 0.1253 0.4535 104.165 60.007 149.198 E 141 GLY B 124 GLY.? E 144 GLU B 70 GLU.? E 164 GLU B 71 GLU.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.37 A TRANSFORM 0.9463 -0.1724 0.2737 -0.1745 0.4402 0.8808 0.2723 0.8812 -0.3865 2.350 -19.113 -11.561 B 46 HIS A 107 HIS^? B 163 ALA A 119 ALA^? B 182 SER A 120 SER^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.39 A TRANSFORM -0.5133 -0.5301 -0.6749 0.8536 -0.2343 -0.4652 -0.0885 0.8149 -0.5728 69.099 3.823 8.637 A 229 ALA A 142 ALA~? A 257 ALA A 59 ALA^? A 328 ASP A 147 ASP~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.39 A TRANSFORM 0.0725 -0.3598 -0.9302 0.8634 0.4895 -0.1220 -0.4992 0.7943 -0.3461 31.972 -41.989 -24.464 14 ASP B 39 ASP.? 16 HIS B 36 HIS~? 67 GLY B 49 GLY^? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.39 A TRANSFORM 0.5630 0.8264 -0.0135 -0.8243 0.5602 -0.0825 0.0606 -0.0576 -0.9965 -75.539 -2.651 91.834 A 67 GLU B 8 GLU^? A 89 GLU B 29 GLU~? A 120 SER B 33 SER~? ULMNm 3 12as_c01 ASPARAGINE SYNTHETASE user 4 3 RMSD = 1.40 A TRANSFORM -0.0014 0.8011 0.5985 0.1307 -0.5932 0.7944 -0.9914 -0.0793 0.1039 -12.336 38.997 32.540 B 46 ASP B 143 ASP~? B 100 ARG B 55 ARG^? B 116 GLN B 37 GLN.? ULMNm 3 12as_c00 ASPARAGINE SYNTHETASE user 4 3 RMSD = 1.42 A TRANSFORM 0.1067 -0.7665 -0.6333 0.3750 0.6210 -0.6883 -0.9209 0.1640 -0.3537 74.771 14.314 30.893 A 46 ASP B 143 ASP~? A 100 ARG B 55 ARG^? A 116 GLN B 37 GLN.? ULMNm 3 1cns_c01 CHITINASE user 3 3 RMSD = 1.42 A TRANSFORM 0.2176 -0.9367 -0.2743 -0.6590 -0.3483 0.6666 0.7200 -0.0358 0.6931 59.902 -3.630 19.403 B 67 GLU B 8 GLU^? B 89 GLU B 29 GLU~? B 120 SER B 33 SER~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 RMSD = 1.44 A TRANSFORM 0.4816 -0.6239 -0.6155 0.3906 -0.4759 0.7880 0.7845 0.6199 -0.0144 67.670 8.495 -31.524 A 229 ALA B 59 ALA^? A 257 ALA B 142 ALA~? A 328 ASP B 147 ASP~? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.46 A TRANSFORM -0.7357 -0.3752 0.5639 -0.3596 0.9219 0.1443 0.5740 0.0967 0.8131 10.208 9.887 -5.194 A 630 SER A 33 SER~? A 709 ASP A 39 ASP.? A 740 HIS A 36 HIS~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.46 A TRANSFORM 0.3144 0.3268 -0.8913 -0.1987 0.9407 0.2748 -0.9283 -0.0907 -0.3607 2.942 28.212 19.667 A 603 HIS B 68 HIS.? A 646 ASP B 72 ASP.? A 739 GLY B 125 GLY.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.47 A TRANSFORM -0.2990 0.9469 -0.1183 -0.7309 -0.1475 0.6664 -0.6135 -0.2857 -0.7362 121.738 19.744 42.240 A 316 ALA B 59 ALA^? A 317 GLY B 57 GLY.? A 318 ASP B 143 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.47 A TRANSFORM -0.4532 -0.7805 -0.4308 0.4300 0.2319 -0.8725 -0.7809 0.5806 -0.2305 167.650 9.258 19.763 A 316 ALA A 59 ALA^? A 317 GLY A 57 GLY.? A 318 ASP A 143 ASP~? ULMNm 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 RMSD = 1.47 A TRANSFORM 0.0664 -0.4370 -0.8970 -0.6703 -0.6855 0.2843 0.7391 -0.5824 0.3384 18.166 73.705 1.129 B 757 ASP A 72 ASP.? B 759 HIS A 68 HIS.? B 810 SER A 66 SER.? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.47 A TRANSFORM -0.5590 -0.7743 0.2967 0.7212 -0.2774 0.6348 0.4092 -0.5688 -0.7135 45.398 3.070 61.583 A 156 HIS B 36 HIS~? A 208 ASP B 143 ASP~? A 296 SER B 66 SER.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 11 3 RMSD = 1.48 A TRANSFORM 0.3269 -0.9253 -0.1922 -0.9424 -0.3345 0.0073 0.0711 -0.1787 0.9813 74.467 36.511 -8.788 A 67 ASP B 143 ASP~? A 68 ALA B 142 ALA~? A 72 LEU B 141 LEU~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.49 A TRANSFORM 0.6804 0.4810 -0.5530 0.1780 0.6234 0.7613 -0.7109 0.6164 -0.3386 11.314 -65.163 1.190 A 250 ALA B 59 ALA^? A 251 GLY B 57 GLY.? A 252 ASP B 143 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.49 A TRANSFORM -0.0035 -0.5279 -0.8493 -0.8988 -0.3706 0.2341 0.4384 -0.7642 0.4731 60.583 3.716 -46.172 B 250 ALA B 59 ALA^? B 251 GLY B 57 GLY.? B 252 ASP B 143 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.49 A TRANSFORM 0.1493 0.8357 0.5285 -0.2086 0.5491 -0.8093 0.9665 -0.0106 -0.2563 29.256 13.319 -13.509 A 67 ASP A 143 ASP~? A 68 ALA A 142 ALA~? A 72 LEU A 141 LEU~? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.49 A TRANSFORM 0.8430 -0.2107 -0.4949 0.0638 0.9527 -0.2970 -0.5341 -0.2188 -0.8167 -11.893 6.621 48.825 B 630 SER A 33 SER~? B 709 ASP A 39 ASP.? B 740 HIS A 36 HIS~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.49 A TRANSFORM -0.6363 0.6499 0.4157 0.0443 0.5687 -0.8214 0.7702 0.5042 0.3906 29.909 -21.335 -80.137 B 250 ALA A 59 ALA^? B 251 GLY A 57 GLY.? B 252 ASP A 143 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.49 A TRANSFORM -0.4311 -0.5510 0.7145 0.5827 -0.7746 -0.2457 -0.6889 -0.3105 -0.6550 39.031 -28.601 25.998 A 250 ALA A 59 ALA^? A 251 GLY A 57 GLY.? A 252 ASP A 143 ASP~? ULMNm 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 RMSD = 1.50 A TRANSFORM -0.5433 0.8394 -0.0127 0.8342 0.5415 0.1040 -0.0942 -0.0459 0.9945 24.766 44.912 13.232 A 757 ASP A 72 ASP.? A 759 HIS A 68 HIS.? A 810 SER A 66 SER.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.50 A TRANSFORM -0.2645 0.5766 0.7731 0.9627 0.2057 0.1760 0.0576 -0.7907 0.6094 37.207 -9.832 5.993 A 229 ALA A 59 ALA^? A 257 ALA A 142 ALA~? A 328 ASP A 147 ASP~? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 4 3 RMSD = 1.50 A TRANSFORM -0.3859 -0.9126 -0.1355 -0.9097 0.4008 -0.1087 -0.1535 -0.0813 0.9848 50.901 -4.800 79.153 A 14 ASP B 72 ASP.? A 16 HIS B 68 HIS.? A 67 GLY B 124 GLY.?