*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 RMSD = 1.45 A TRANSFORM -0.2625 -0.3194 -0.9105 0.7835 0.4803 -0.3943 0.5633 -0.8169 0.1241 93.043 66.241 23.147 A 193 ALA A 140 ALA^? A 194 GLY A 153 GLY^? B 457 ALA A 150 ALA^? B 458 ALA A 130 ALA^? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 5 3 RMSD = 0.74 A TRANSFORM -0.9019 -0.0696 -0.4263 0.2099 -0.9332 -0.2917 -0.3775 -0.3525 0.8563 25.883 49.143 42.769 B 16 TYR A 178 TYR^? B 40 ASP A 166 ASP^? B 103 LEU A 176 LEU^? ULMNm 3 1fhl_c00 BETA-1,4-GALACTANASE user 1 3 RMSD = 0.76 A TRANSFORM -0.3112 -0.9290 -0.2003 -0.6167 0.3578 -0.7012 0.7231 -0.0947 -0.6842 52.659 47.328 125.168 A 45 ARG A 214 ARG^? A 136 GLU A 156 GLU^? A 246 GLU A 216 GLU^? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 5 3 RMSD = 0.78 A TRANSFORM -0.8104 -0.0272 -0.5852 -0.2373 0.9286 0.2855 0.5356 0.3702 -0.7590 23.261 -12.431 2.769 A 16 TYR A 178 TYR^? A 40 ASP A 166 ASP^? A 103 LEU A 176 LEU^? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 1 3 RMSD = 0.89 A TRANSFORM -0.2933 -0.9441 -0.1502 -0.6074 0.3054 -0.7334 0.7382 -0.1239 -0.6631 51.623 49.427 124.881 A 45 ARG A 214 ARG^? A 136 GLU A 156 GLU^? A 246 GLU A 216 GLU^? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 3 3 RMSD = 0.96 A TRANSFORM 0.4432 0.8638 0.2398 -0.8693 0.3488 0.3503 0.2189 -0.3637 0.9054 42.565 27.691 98.805 B 382 ARG A 214 ARG^? B 451 GLU A 156 GLU^? B 540 GLU A 216 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 0.98 A TRANSFORM -0.4692 0.7861 -0.4024 0.4283 0.6010 0.6748 0.7723 0.1443 -0.6187 -13.297 -28.392 -4.333 141 ASP A 166 ASP^? 166 GLY A 153 GLY^? 169 GLU A 138 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.01 A TRANSFORM -0.3858 -0.9214 0.0461 0.4034 -0.2135 -0.8898 0.8297 -0.3246 0.4541 28.235 11.677 1.821 141 ASP A 184 ASP^? 166 GLY A 108 GLY^? 169 GLU A 173 GLU^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.02 A TRANSFORM -0.9905 0.0937 0.1005 -0.1239 -0.2931 -0.9480 -0.0594 -0.9515 0.3019 2.916 83.760 65.532 179 ASP A 169 ASP^? 227 GLU A 30 GLU^? 289 ASP A 39 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.04 A TRANSFORM -0.8620 0.5061 -0.0304 -0.3677 -0.6653 -0.6498 -0.3490 -0.5489 0.7595 -3.262 37.912 21.371 141 ASP A 169 ASP^? 166 GLY A 145 GLY^? 169 GLU A 126 GLU^? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.05 A TRANSFORM 0.5327 -0.8371 0.1241 0.8453 0.5194 -0.1252 0.0403 0.1715 0.9844 74.312 -8.199 -27.256 D 199 HIS A 71 HIS^? D 246 HIS A 225 HIS^? D 255 TYR A 92 TYR^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.06 A TRANSFORM -0.8743 0.0149 -0.4851 0.0115 -0.9986 -0.0514 -0.4852 -0.0505 0.8730 37.831 108.374 27.509 A 228 ASP A 169 ASP^? A 261 ASP A 69 ASP^? A 329 ASP A 39 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.06 A TRANSFORM -0.8876 -0.4523 0.0868 0.1758 -0.1586 0.9716 -0.4257 0.8776 0.2203 3.612 6.211 -38.644 141 ASP A 235 ASP^? 166 GLY A 76 GLY^? 169 GLU A 38 GLU^? ULMNm 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.07 A TRANSFORM -0.1648 0.9553 -0.2453 0.9358 0.0728 -0.3450 -0.3117 -0.2864 -0.9060 60.913 2.306 24.927 C 199 HIS A 71 HIS^? C 246 HIS A 225 HIS^? C 255 TYR A 92 TYR^? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.07 A TRANSFORM 0.0861 -0.9840 0.1557 -0.9930 -0.0721 0.0936 -0.0808 -0.1626 -0.9834 84.025 30.828 18.451 B 199 HIS A 71 HIS^? B 246 HIS A 225 HIS^? B 255 TYR A 92 TYR^? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.07 A TRANSFORM 0.9912 0.0578 -0.1194 0.0979 -0.9260 0.3646 -0.0895 -0.3731 -0.9235 3.287 110.142 55.587 A 137 ARG A 224 ARG^? A 141 THR A 223 THR^? A 235 ASP A 188 ASP^? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.11 A TRANSFORM -0.5218 0.8510 -0.0593 -0.7813 -0.4488 0.4337 0.3425 0.2727 0.8991 66.287 27.795 -32.739 A 199 HIS A 71 HIS^? A 246 HIS A 225 HIS^? A 255 TYR A 92 TYR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.12 A TRANSFORM -0.4892 0.7791 -0.3921 -0.0595 0.4187 0.9062 0.8701 0.4666 -0.1585 -13.386 -19.098 -22.807 141 ASP A 166 ASP^? 166 GLY A 154 GLY^? 169 GLU A 138 GLU^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.15 A TRANSFORM -0.7322 0.4130 0.5416 0.6673 0.2756 0.6919 0.1365 0.8680 -0.4774 74.879 44.312 114.845 D 141 GLY A 154 GLY^? D 144 GLU A 157 GLU^? D 164 GLU A 156 GLU^? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 3 3 RMSD = 1.17 A TRANSFORM -0.0110 -0.9366 -0.3503 -0.5689 -0.2822 0.7725 -0.8224 0.2077 -0.5297 63.367 13.239 45.796 B 325 ASP A 39 ASP^? B 354 GLU A 36 GLU^? B 421 ASP A 169 ASP^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.18 A TRANSFORM 0.7518 -0.2363 -0.6156 -0.6588 -0.3091 -0.6859 -0.0282 0.9212 -0.3880 63.548 141.632 117.254 C 141 GLY A 154 GLY^? C 144 GLU A 157 GLU^? C 164 GLU A 156 GLU^? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.18 A TRANSFORM -0.9905 -0.0411 0.1316 -0.0880 0.9233 -0.3738 -0.1061 -0.3818 -0.9181 -3.751 51.129 55.923 C 137 ARG A 224 ARG^? C 141 THR A 223 THR^? C 235 ASP A 188 ASP^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.19 A TRANSFORM 0.0564 0.4074 -0.9115 0.9071 0.3605 0.2173 0.4171 -0.8390 -0.3493 64.435 38.124 180.787 F 141 GLY A 154 GLY^? F 144 GLU A 157 GLU^? F 164 GLU A 156 GLU^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.23 A TRANSFORM -0.1125 -0.9909 -0.0743 0.8750 -0.1342 0.4651 -0.4708 -0.0127 0.8821 123.923 58.474 159.526 E 141 GLY A 154 GLY^? E 144 GLU A 157 GLU^? E 164 GLU A 156 GLU^? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.23 A TRANSFORM -0.9978 -0.0080 0.0663 0.0410 -0.8569 0.5139 0.0527 0.5155 0.8553 -6.128 106.501 78.720 D 137 ARG A 224 ARG^? D 141 THR A 223 THR^? D 235 ASP A 188 ASP^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 RMSD = 1.25 A TRANSFORM 0.3275 0.4369 -0.8378 0.5205 0.6566 0.5459 0.7886 -0.6148 -0.0124 48.550 -17.741 69.848 412 GLU A 30 GLU^? 516 HIS A 225 HIS^? 559 HIS A 29 HIS^? ULMNm 3 12as_c00 ASPARAGINE SYNTHETASE user 2 3 RMSD = 1.26 A TRANSFORM -0.5575 -0.2609 0.7881 0.5977 -0.7850 0.1629 0.5762 0.5619 0.5936 36.532 50.820 -18.755 A 46 ASP A 39 ASP^? A 100 ARG A 35 ARG^? A 116 GLN A 170 GLN^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.28 A TRANSFORM -0.0075 -0.5344 0.8452 -0.9017 -0.3618 -0.2367 0.4323 -0.7638 -0.4792 85.990 147.359 178.456 B 141 GLY A 154 GLY^? B 144 GLU A 157 GLU^? B 164 GLU A 156 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 10 3 RMSD = 1.28 A TRANSFORM -0.9039 0.2396 0.3542 0.1076 -0.6742 0.7306 0.4139 0.6986 0.5837 -27.199 23.674 -26.979 141 ASP A 240 ASP^? 166 GLY A 70 GLY^? 169 GLU A 36 GLU^? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 3 3 RMSD = 1.29 A TRANSFORM 0.0039 0.9580 0.2867 0.9031 0.1197 -0.4125 -0.4295 0.2605 -0.8647 -6.768 49.896 57.404 A 325 ASP A 39 ASP^? A 354 GLU A 36 GLU^? A 421 ASP A 169 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.30 A TRANSFORM -0.4768 0.0093 -0.8790 0.8612 -0.1953 -0.4692 -0.1760 -0.9807 0.0851 62.123 20.120 31.809 A 229 ALA A 134 ALA^? A 257 ALA A 142 ALA^? A 328 ASP A 127 ASP^? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 2 3 RMSD = 1.31 A TRANSFORM 0.8454 0.4915 0.2088 -0.4637 0.8696 -0.1696 -0.2649 0.0466 0.9631 -19.105 -24.253 -16.418 A 50 HIS A 71 HIS^? A 96 GLU A 30 GLU^? A 137 HIS A 225 HIS^? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 1 3 RMSD = 1.31 A TRANSFORM -0.6105 0.5706 0.5493 -0.0279 -0.7087 0.7050 0.7915 0.4151 0.4486 -16.551 36.332 -9.968 41 HIS A 71 HIS^? 62 GLU A 30 GLU^? 101 HIS A 225 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.32 A TRANSFORM -0.3153 -0.6547 0.6870 -0.1249 0.7463 0.6538 -0.9407 0.1203 -0.3171 -0.880 -23.565 0.755 141 ASP A 94 ASP^? 166 GLY A 70 GLY^? 169 GLU A 36 GLU^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 3 3 RMSD = 1.33 A TRANSFORM 0.2031 0.1848 0.9616 -0.6240 -0.7323 0.2725 0.7545 -0.6554 -0.0335 -31.480 7.258 15.303 14 ASP A 69 ASP^? 16 HIS A 71 HIS^? 67 GLY A 61 GLY^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.35 A TRANSFORM -0.9518 -0.1256 0.2797 -0.3048 0.2904 -0.9070 0.0327 -0.9486 -0.3147 60.552 30.514 52.898 199 ASP A 169 ASP^? 218 GLU A 64 GLU^? 329 ASP A 39 ASP^? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.37 A TRANSFORM -0.3700 -0.8616 0.3476 0.5711 -0.5060 -0.6463 0.7327 -0.0406 0.6793 -9.759 62.105 32.592 D 603 HIS A 71 HIS^? D 646 ASP A 69 ASP^? D 739 GLY A 180 GLY^? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.39 A TRANSFORM 0.1097 0.9397 0.3240 -0.0496 -0.3203 0.9460 0.9927 -0.1198 0.0114 -14.985 48.768 63.651 C 603 HIS A 225 HIS^? C 646 ASP A 69 ASP^? C 739 GLY A 180 GLY^? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.39 A TRANSFORM -0.4826 -0.3203 0.8152 0.8700 -0.0677 0.4884 -0.1013 0.9449 0.3113 2.024 25.272 -17.840 B 40 HIS A 29 HIS^? B 58 GLU A 30 GLU^? B 92 HIS A 72 HIS^? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.39 A TRANSFORM 0.6541 -0.1346 0.7444 -0.5573 -0.7511 0.3539 0.5114 -0.6463 -0.5663 -1.839 42.332 32.358 A 40 HIS A 29 HIS^? A 58 GLU A 30 GLU^? A 92 HIS A 72 HIS^? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 5 3 RMSD = 1.40 A TRANSFORM 0.0247 -0.0401 0.9989 -0.5057 0.8614 0.0471 -0.8623 -0.5063 0.0010 22.055 -27.610 71.005 B 325 ASP A 39 ASP^? B 354 GLU A 38 GLU^? B 421 ASP A 169 ASP^? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.41 A TRANSFORM 0.0858 0.9215 0.3787 -0.0114 -0.3792 0.9252 0.9962 -0.0837 -0.0220 -12.992 51.573 0.148 A 603 HIS A 225 HIS^? A 646 ASP A 69 ASP^? A 739 GLY A 180 GLY^? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.42 A TRANSFORM -0.7242 -0.1465 -0.6739 0.6661 -0.4013 -0.6287 -0.1783 -0.9042 0.3882 -12.360 60.706 -5.847 B 603 HIS A 225 HIS^? B 646 ASP A 69 ASP^? B 739 GLY A 180 GLY^? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.45 A TRANSFORM -0.6131 -0.6626 0.4302 0.4887 0.1097 0.8655 -0.6207 0.7409 0.2566 -48.926 -28.958 -57.421 A 114 HIS A 71 HIS^? A 197 ASP A 69 ASP^? A 223 ALA A 85 ALA^? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.46 A TRANSFORM 0.6032 0.6729 -0.4281 -0.3838 -0.2256 -0.8954 -0.6991 0.7045 0.1222 -45.362 31.137 -52.596 B 114 HIS A 71 HIS^? B 197 ASP A 69 ASP^? B 223 ALA A 85 ALA^? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 1 3 RMSD = 1.46 A TRANSFORM 0.3613 -0.9303 -0.0628 -0.0251 -0.0770 0.9967 -0.9321 -0.3586 -0.0512 30.560 -17.846 17.722 A 50 HIS A 29 HIS^? A 96 GLU A 30 GLU^? A 137 HIS A 72 HIS^? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 5 3 RMSD = 1.47 A TRANSFORM -0.0385 -0.0129 -0.9992 0.8707 -0.4911 -0.0272 -0.4903 -0.8710 0.0301 37.108 71.686 97.043 A 325 ASP A 39 ASP^? A 354 GLU A 38 GLU^? A 421 ASP A 169 ASP^? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.48 A TRANSFORM -0.2704 -0.1767 -0.9464 0.3275 -0.9413 0.0821 -0.9053 -0.2878 0.3124 22.660 96.543 162.270 B 109 ASP A 109 ASP^? B 182 GLU A 173 GLU^? B 286 ASN A 111 ASN^? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 1 3 RMSD = 1.48 A TRANSFORM -0.6251 -0.1614 -0.7636 -0.2944 -0.8574 0.4222 -0.7229 0.4888 0.4884 33.460 13.864 -23.018 274 HIS A 29 HIS^? 320 HIS A 72 HIS^? 375 ASP A 69 ASP^? ULMNm 3 2bsq_d00 TRANSCRIPTION user 1 3 RMSD = 1.49 A TRANSFORM -0.6995 0.2526 0.6685 0.0370 0.9470 -0.3191 -0.7137 -0.1985 -0.6718 -14.016 -55.668 61.039 E 3 SER A 162 SER^? E 5 VAL A 164 VAL^? E 7 ARG A 116 ARG^?