*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1dub_c04 2-ENOYL-COA HYDRATASE user 4 4 RMSD = 1.47 A TRANSFORM 0.0064 0.9982 -0.0600 0.5861 0.0449 0.8090 -0.8102 0.0403 0.5847 63.600 3.252 201.278 E 98 ALA B 3 ALA^? E 141 GLY B 47 GLY^? E 144 GLU B 51 GLU~? E 164 GLU B 48 GLU^? ULMNm 4 1dub_c04 2-ENOYL-COA HYDRATASE user 2 4 RMSD = 1.47 A TRANSFORM 0.2420 -0.9691 0.0477 0.5856 0.1067 -0.8036 -0.7736 -0.2224 -0.5933 126.265 90.450 275.797 E 98 ALA A 3 ALA^? E 141 GLY A 47 GLY^? E 144 GLU A 51 GLU~? E 164 GLU A 48 GLU^? ULMNm 4 1dub_c03 2-ENOYL-COA HYDRATASE user 4 4 RMSD = 1.47 A TRANSFORM 0.9740 -0.1447 -0.1743 -0.2120 -0.3102 -0.9267 -0.0801 -0.9396 0.3328 21.377 168.378 144.347 D 98 ALA D 3 ALA^? D 141 GLY D 47 GLY^? D 144 GLU D 51 GLU~? D 164 GLU D 48 GLU^? ULMNm 4 1dub_c02 2-ENOYL-COA HYDRATASE user 4 4 RMSD = 1.47 A TRANSFORM 0.9634 0.1624 -0.2131 -0.2592 0.3639 -0.8946 0.0677 -0.9172 -0.3927 -7.370 151.174 174.411 C 98 ALA B 3 ALA^? C 141 GLY B 47 GLY^? C 144 GLU B 51 GLU~? C 164 GLU B 48 GLU^? ULMNm 4 1dub_c03 2-ENOYL-COA HYDRATASE user 3 4 RMSD = 1.47 A TRANSFORM 0.9158 0.3604 0.1775 -0.2846 0.2702 0.9198 -0.2835 0.8928 -0.3500 -15.786 44.877 117.210 D 98 ALA C 3 ALA^? D 141 GLY C 47 GLY^? D 144 GLU C 51 GLU~? D 164 GLU C 48 GLU^? ULMNm 4 1dub_c04 2-ENOYL-COA HYDRATASE user 8 4 RMSD = 1.47 A TRANSFORM -0.1889 0.9646 0.1842 -0.5703 0.0450 -0.8202 0.7995 0.2600 -0.5415 65.881 181.301 132.738 E 98 ALA D 3 ALA^? E 141 GLY D 47 GLY^? E 144 GLU D 51 GLU~? E 164 GLU D 48 GLU^? ULMNm 4 1dub_c02 2-ENOYL-COA HYDRATASE user 2 4 RMSD = 1.48 A TRANSFORM 0.9729 0.0671 0.2212 -0.1723 -0.4278 0.8873 -0.1542 0.9014 0.4047 -28.177 80.066 66.773 C 98 ALA A 3 ALA^? C 141 GLY A 47 GLY^? C 144 GLU A 51 GLU~? C 164 GLU A 48 GLU^? ULMNm 4 1dub_c05 2-ENOYL-COA HYDRATASE user 4 4 RMSD = 1.48 A TRANSFORM 0.3982 -0.4128 -0.8192 0.6915 -0.4517 0.5637 0.6028 0.7909 -0.1056 76.296 10.291 94.263 F 98 ALA B 3 ALA^? F 141 GLY B 47 GLY^? F 144 GLU B 51 GLU~? F 164 GLU B 48 GLU^? ULMNm 4 1dub_c00 2-ENOYL-COA HYDRATASE user 4 4 RMSD = 1.48 A TRANSFORM -0.1631 -0.9748 0.1525 -0.5751 -0.0316 -0.8175 -0.8016 0.2210 0.5554 92.170 180.934 199.780 A 98 ALA B 3 ALA^? A 141 GLY B 47 GLY^? A 144 GLU B 51 GLU~? A 164 GLU B 48 GLU^? ULMNm 4 1dub_c03 2-ENOYL-COA HYDRATASE user 2 4 RMSD = 1.48 A TRANSFORM -0.9246 -0.3404 0.1709 0.3015 -0.3797 0.8746 0.2329 -0.8602 -0.4537 154.045 32.220 160.723 D 98 ALA B 3 ALA^? D 141 GLY B 47 GLY^? D 144 GLU B 51 GLU~? D 164 GLU B 48 GLU^? ULMNm 4 1dub_c04 2-ENOYL-COA HYDRATASE user 6 4 RMSD = 1.48 A TRANSFORM 0.0317 -0.9852 -0.1682 -0.5536 -0.1574 0.8178 0.8322 -0.0672 0.5504 154.726 97.060 83.858 E 98 ALA C 3 ALA^? E 141 GLY C 47 GLY^? E 144 GLU C 51 GLU~? E 164 GLU C 48 GLU^? ULMNm 4 1dub_c02 2-ENOYL-COA HYDRATASE user 8 4 RMSD = 1.48 A TRANSFORM -0.9805 -0.0417 0.1919 0.1725 0.2842 0.9431 0.0939 -0.9579 0.2715 125.828 19.612 137.558 C 98 ALA D 3 ALA^? C 141 GLY D 47 GLY^? C 144 GLU D 51 GLU~? C 164 GLU D 48 GLU^? ULMNm 4 1dub_c05 2-ENOYL-COA HYDRATASE user 2 4 RMSD = 1.48 A TRANSFORM 0.2829 0.4835 0.8283 0.5692 0.6104 -0.5507 0.7720 -0.6273 0.1025 -46.289 34.935 132.172 F 98 ALA A 3 ALA^? F 141 GLY A 47 GLY^? F 144 GLU A 51 GLU~? F 164 GLU A 48 GLU^? ULMNm 4 1dub_c05 2-ENOYL-COA HYDRATASE user 8 4 RMSD = 1.48 A TRANSFORM -0.3297 -0.5810 0.7442 -0.5877 -0.4906 -0.6434 -0.7388 0.6495 0.1797 51.739 175.987 185.643 F 98 ALA D 3 ALA^? F 141 GLY D 47 GLY^? F 144 GLU D 51 GLU~? F 164 GLU D 48 GLU^? ULMNm 4 1dub_c02 2-ENOYL-COA HYDRATASE user 6 4 RMSD = 1.48 A TRANSFORM -0.9634 -0.1805 -0.1983 0.2403 -0.2538 -0.9369 -0.1188 0.9503 -0.2878 152.108 143.459 100.938 C 98 ALA C 3 ALA^? C 141 GLY C 47 GLY^? C 144 GLU C 51 GLU~? C 164 GLU C 48 GLU^? ULMNm 4 1dub_c00 2-ENOYL-COA HYDRATASE user 2 4 RMSD = 1.48 A TRANSFORM -0.3883 0.9105 -0.1420 -0.5718 -0.1172 0.8120 -0.7227 -0.3964 -0.5662 42.735 93.635 283.545 A 98 ALA A 3 ALA^? A 141 GLY A 47 GLY^? A 144 GLU A 51 GLU~? A 164 GLU A 48 GLU^? ULMNm 4 1dub_c05 2-ENOYL-COA HYDRATASE user 6 4 RMSD = 1.48 A TRANSFORM -0.4435 0.4812 -0.7561 -0.6881 0.3577 0.6313 -0.5743 -0.8003 -0.1724 97.417 74.659 256.480 F 98 ALA C 3 ALA^? F 141 GLY C 47 GLY^? F 144 GLU C 51 GLU~? F 164 GLU C 48 GLU^? ULMNm 4 1dub_c03 2-ENOYL-COA HYDRATASE user 1 4 RMSD = 1.48 A TRANSFORM -0.9777 0.1143 -0.1762 0.2091 0.4532 -0.8665 0.0192 0.8841 0.4670 157.480 99.639 48.837 D 98 ALA A 3 ALA^? D 141 GLY A 47 GLY^? D 144 GLU A 51 GLU~? D 164 GLU A 48 GLU^? ULMNm 4 1dub_c00 2-ENOYL-COA HYDRATASE user 8 4 RMSD = 1.48 A TRANSFORM 0.3409 -0.9016 -0.2663 0.5569 -0.0346 0.8298 0.7574 0.4312 -0.4904 74.543 3.843 130.947 A 98 ALA D 3 ALA^? A 141 GLY D 47 GLY^? A 144 GLU D 51 GLU~? A 164 GLU D 48 GLU^? ULMNm 4 1dub_c00 2-ENOYL-COA HYDRATASE user 6 4 RMSD = 1.49 A TRANSFORM 0.1294 0.9590 0.2523 0.5432 0.1443 -0.8271 0.8295 -0.2441 0.5023 -20.306 89.943 99.958 A 98 ALA C 3 ALA^? A 141 GLY C 47 GLY^? A 144 GLU C 51 GLU~? A 164 GLU C 48 GLU^? ULMNm 4 1dub_c01 2-ENOYL-COA HYDRATASE user 8 4 RMSD = 1.49 A TRANSFORM 0.2269 0.6848 -0.6925 0.5698 0.4833 0.6647 -0.7899 0.5454 0.2805 96.345 9.401 183.424 B 98 ALA D 3 ALA^? B 141 GLY D 47 GLY^? B 144 GLU D 51 GLU~? B 164 GLU D 48 GLU^? ULMNm 4 1dub_c01 2-ENOYL-COA HYDRATASE user 4 4 RMSD = 1.49 A TRANSFORM -0.3175 0.5396 0.7798 -0.6736 0.4505 -0.5860 0.6674 0.7113 -0.2205 62.043 174.550 94.209 B 98 ALA B 3 ALA^? B 141 GLY B 47 GLY^? B 144 GLU B 51 GLU~? B 164 GLU B 48 GLU^? ULMNm 4 1dub_c01 2-ENOYL-COA HYDRATASE user 6 4 RMSD = 1.49 A TRANSFORM 0.3666 -0.6062 0.7058 0.6693 -0.3551 -0.6526 -0.6462 -0.7117 -0.2756 64.468 112.737 258.747 B 98 ALA C 3 ALA^? B 141 GLY C 47 GLY^? B 144 GLU C 51 GLU~? B 164 GLU C 48 GLU^? ULMNm 4 1dub_c01 2-ENOYL-COA HYDRATASE user 2 4 RMSD = 1.50 A TRANSFORM -0.1750 -0.5883 -0.7895 -0.5523 -0.6052 0.5733 0.8151 -0.5364 0.2190 188.379 147.184 113.342 B 98 ALA A 3 ALA^? B 141 GLY A 47 GLY^? B 144 GLU A 51 GLU~? B 164 GLU A 48 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.08 A TRANSFORM -0.1944 -0.9262 0.3231 0.9095 -0.2936 -0.2943 -0.3674 -0.2367 -0.8994 34.495 -41.590 107.007 141 ASP D 85 ASP~? 166 GLY A 15 GLY~? 169 GLU A 66 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.15 A TRANSFORM 0.5594 0.7433 -0.3668 0.1164 -0.5086 -0.8531 0.8207 -0.4345 0.3711 -62.725 73.835 -78.249 141 ASP A 17 ASP~? 166 GLY D 79 GLY.? 169 GLU D 46 GLU^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.16 A TRANSFORM 0.7668 0.3432 0.5424 -0.5882 0.0373 0.8079 -0.2571 0.9385 -0.2305 -92.185 112.404 -3.299 193 ASP A 68 ASP.? 231 ASP B 23 ASP~? 294 ASP A 17 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.16 A TRANSFORM 0.0274 -0.5640 0.8253 -0.6079 -0.6649 -0.4341 -0.7936 0.4898 0.3610 -30.413 111.456 1.855 141 ASP A 85 ASP~? 166 GLY A 79 GLY^? 169 GLU C 61 GLU~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 6 3 RMSD = 1.23 A TRANSFORM -0.2058 -0.4499 0.8691 0.5360 0.6912 0.4847 0.8188 -0.5655 -0.0989 -7.141 -89.999 -6.603 A 271 PRO D 11 PRO.? A 272 LEU D 10 LEU^? A 276 ARG C 18 ARG~? ULMNm 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 11 3 RMSD = 1.29 A TRANSFORM -0.6561 -0.0357 -0.7538 0.7124 -0.3589 -0.6030 0.2491 0.9327 -0.2609 127.602 93.118 41.299 A 44 THR D 39 THR.? A 45 THR D 43 THR^? A 161 LYS A 75 LYS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.29 A TRANSFORM 0.0952 0.4048 0.9094 0.5076 0.7662 -0.3941 0.8563 -0.4991 0.1325 -79.346 -36.211 -65.349 141 ASP D 85 ASP~? 166 GLY B 64 GLY~? 169 GLU B 58 GLU~? ULMNm 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 8 3 RMSD = 1.30 A TRANSFORM -0.6386 -0.1211 0.7599 0.6131 0.5168 0.5975 0.4651 -0.8475 0.2558 45.504 -4.868 74.265 A 44 THR C 39 THR.? A 45 THR C 43 THR^? A 161 LYS B 75 LYS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.30 A TRANSFORM 0.7468 -0.5675 0.3468 -0.0190 0.5030 0.8641 0.6648 0.6519 -0.3648 -59.922 -55.299 -73.079 141 ASP B 17 ASP~? 166 GLY C 79 GLY.? 169 GLU C 46 GLU^? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.31 A TRANSFORM -0.5916 0.7513 -0.2926 -0.7521 -0.6450 -0.1356 0.2906 -0.1398 -0.9466 79.292 131.629 22.507 233 ASN A 77 ASN^? 457 GLY A 47 GLY^? 459 GLU A 46 GLU^? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.31 A TRANSFORM -0.6543 -0.7520 -0.0802 0.7076 -0.6462 0.2857 0.2667 -0.1302 -0.9550 62.495 -25.751 99.731 A 67 GLU C 42 GLU.? A 89 GLU C 86 GLU.? A 120 SER C 4 SER^? ULMNm 3 1vom_c00 MYOSIN user 2 3 RMSD = 1.32 A TRANSFORM -0.3982 -0.8668 0.3001 -0.8812 0.4524 0.1375 0.2549 0.2097 0.9439 102.745 78.089 -95.705 233 ASN B 77 ASN^? 457 GLY B 47 GLY^? 459 GLU B 46 GLU^? ULMNm 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 11 3 RMSD = 1.33 A TRANSFORM 0.6373 0.0587 0.7684 -0.6985 -0.3771 0.6082 -0.3254 0.9243 0.1993 -94.590 152.016 66.701 B 44 THR D 39 THR.? B 45 THR D 43 THR^? B 161 LYS A 75 LYS^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.34 A TRANSFORM -0.1038 -0.4099 0.9062 -0.3214 0.8761 0.3594 0.9412 0.2539 0.2227 9.220 22.968 -150.227 D 465 GLY C 79 GLY.? D 501 ASP A 23 ASP~? E 367 TYR B 28 TYR~? ULMNm 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 8 3 RMSD = 1.34 A TRANSFORM 0.6258 0.0943 -0.7742 -0.7736 0.2015 -0.6008 -0.0993 -0.9749 -0.1991 -9.145 199.811 155.237 B 44 THR C 39 THR.? B 45 THR C 43 THR^? B 161 LYS B 75 LYS^? ULMNm 3 1ig8_c00 HEXOKINASE PII user 1 3 RMSD = 1.35 A TRANSFORM -0.3353 0.4687 -0.8173 0.7463 0.6616 0.0732 -0.5750 0.5853 0.5716 60.417 1.951 -7.017 A 158 SER B 83 SER~? A 173 ARG C 18 ARG~? A 211 ASP B 85 ASP~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.36 A TRANSFORM 0.2300 -0.9263 0.2984 0.2653 -0.2353 -0.9350 -0.9363 -0.2942 -0.1916 20.664 60.578 84.405 A 465 GLY C 79 GLY.? A 501 ASP A 23 ASP~? B 367 TYR B 28 TYR~? ULMNm 3 1vom_c00 MYOSIN user 4 3 RMSD = 1.36 A TRANSFORM 0.5645 -0.7126 -0.4167 0.7636 0.6425 -0.0643 -0.3135 0.2819 -0.9068 64.073 -42.596 47.125 233 ASN D 77 ASN^? 457 GLY D 47 GLY^? 459 GLU D 46 GLU^? ULMNm 3 1cns_c01 CHITINASE user 1 3 RMSD = 1.36 A TRANSFORM 0.0344 0.8854 -0.4635 0.4619 0.3971 0.7930 -0.8863 0.2414 0.3953 -11.559 -107.852 80.378 B 67 GLU C 42 GLU.? B 89 GLU C 86 GLU.? B 120 SER C 4 SER^? ULMNm 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 5 3 RMSD = 1.37 A TRANSFORM 0.6400 0.0088 0.7683 -0.6234 -0.5785 0.5260 -0.4492 0.8156 0.3647 -56.396 139.795 63.921 A 44 THR B 39 THR.? A 45 THR B 43 THR^? A 161 LYS C 75 LYS^? ULMNm 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 2 3 RMSD = 1.38 A TRANSFORM 0.6307 0.1460 -0.7622 -0.7373 0.4191 -0.5298 -0.2421 -0.8961 -0.3719 23.686 163.610 164.640 A 44 THR A 39 THR.? A 45 THR A 43 THR^? A 161 LYS D 75 LYS^? ULMNm 3 1vom_c00 MYOSIN user 3 3 RMSD = 1.38 A TRANSFORM 0.3874 0.8256 0.4103 0.8885 -0.4531 0.0729 -0.2461 -0.3363 0.9090 -36.299 -11.310 -32.378 233 ASN C 77 ASN^? 457 GLY C 47 GLY^? 459 GLU C 46 GLU^? ULMNm 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 5 3 RMSD = 1.41 A TRANSFORM -0.6263 0.0197 -0.7793 0.7705 -0.1364 -0.6227 0.1185 0.9905 -0.0703 88.163 100.057 45.667 B 44 THR B 39 THR.? B 45 THR B 43 THR^? B 161 LYS C 75 LYS^? ULMNm 3 1cns_c01 CHITINASE user 5 3 RMSD = 1.41 A TRANSFORM -0.1051 -0.3998 -0.9105 0.8626 0.4190 -0.2836 -0.4949 0.8152 -0.3009 105.714 -85.663 74.125 B 67 GLU D 89 GLU.? B 89 GLU D 46 GLU^? B 120 SER D 83 SER~? ULMNm 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 2 3 RMSD = 1.42 A TRANSFORM -0.6102 -0.1709 0.7736 0.7120 0.3100 0.6301 0.3475 -0.9352 0.0675 8.662 14.836 105.233 B 44 THR A 39 THR.? B 45 THR A 43 THR^? B 161 LYS D 75 LYS^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.44 A TRANSFORM -0.5359 -0.1944 -0.8216 -0.5232 -0.6873 0.5039 0.6626 -0.6999 -0.2666 116.650 103.454 43.359 A 228 ASP C 68 ASP.? A 260 ASP D 17 ASP~? A 329 ASP C 17 ASP~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.46 A TRANSFORM 0.8331 -0.1639 -0.5282 -0.5504 -0.1520 -0.8209 -0.0542 -0.9747 0.2169 -15.654 208.724 41.220 193 ASP B 68 ASP.? 231 ASP A 23 ASP~? 294 ASP B 17 ASP~? ULMNm 3 2dbt_c02 CHITINASE C user 16 3 RMSD = 1.49 A TRANSFORM 0.6651 -0.6664 -0.3370 0.5672 0.1573 0.8084 0.4857 0.7288 -0.4827 35.355 -85.904 -25.160 C 147 GLU D 86 GLU~? C 156 GLU D 46 GLU^? C 194 ASN B 69 ASN.? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 4 3 RMSD = 1.49 A TRANSFORM 0.1021 -0.8131 0.5731 -0.6462 -0.4922 -0.5832 -0.7563 0.3108 0.5757 -36.122 149.609 85.543 B 34 SER D 4 SER^? B 37 ASN D 77 ASN^? B 45 THR A 43 THR^? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 4 3 RMSD = 1.50 A TRANSFORM 0.8014 0.4322 -0.4134 0.2551 -0.8722 -0.4174 0.5409 -0.2290 0.8093 -16.251 48.029 -61.755 B 1 ALA D 3 ALA^? B 74 ASN D 77 ASN^? B 75 GLY D 79 GLY.? ULMNm 3 2dbt_c00 CHITINASE C user 6 3 RMSD = 1.50 A TRANSFORM 0.0338 -0.9192 0.3925 0.4979 -0.3250 -0.8040 -0.8665 -0.2226 -0.4467 85.529 60.877 103.223 A 147 GLU A 86 GLU~? A 156 GLU A 46 GLU^? A 194 ASN C 69 ASN^?