*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1rk2_c03 RIBOKINASE user 3 4 RMSD = 1.31 A TRANSFORM 0.2254 0.8423 0.4896 -0.3388 -0.4034 0.8500 0.9135 -0.3574 0.1944 -41.421 -18.751 153.869 D 252 ALA B 136 ALA~? D 253 ALA B 139 ALA~? D 254 GLY B 140 GLY~? D 255 ASP B 137 ASP~? ULMNm 4 1rk2_c03 RIBOKINASE user 1 4 RMSD = 1.32 A TRANSFORM -0.4489 -0.8114 -0.3743 -0.8513 0.5157 -0.0968 0.2716 0.2752 -0.9222 49.450 -10.260 178.775 D 252 ALA A 136 ALA~? D 253 ALA A 139 ALA~? D 254 GLY A 140 GLY~? D 255 ASP A 137 ASP~? ULMNm 4 1rk2_c01 RIBOKINASE user 3 4 RMSD = 1.32 A TRANSFORM -0.3500 -0.8487 0.3965 -0.0043 0.4248 0.9053 -0.9367 0.3151 -0.1523 29.053 -52.591 119.447 B 252 ALA B 136 ALA~? B 253 ALA B 139 ALA~? B 254 GLY B 140 GLY~? B 255 ASP B 137 ASP~? ULMNm 4 1rk2_c01 RIBOKINASE user 1 4 RMSD = 1.32 A TRANSFORM -0.3936 0.9147 0.0913 -0.8641 -0.3343 -0.3762 -0.3136 -0.2270 0.9220 -17.149 25.704 93.273 B 252 ALA A 136 ALA~? B 253 ALA A 139 ALA~? B 254 GLY A 140 GLY~? B 255 ASP A 137 ASP~? ULMNm 4 1rk2_c02 RIBOKINASE user 3 4 RMSD = 1.33 A TRANSFORM -0.0557 0.3535 0.9338 0.3993 0.8651 -0.3037 -0.9151 0.3559 -0.1893 -39.426 -23.371 203.522 C 252 ALA B 136 ALA~? C 253 ALA B 139 ALA~? C 254 GLY B 140 GLY~? C 255 ASP B 137 ASP~? ULMNm 4 1rk2_c00 RIBOKINASE user 3 4 RMSD = 1.33 A TRANSFORM 0.2740 0.3623 -0.8909 0.2369 0.8724 0.4277 0.9321 -0.3282 0.1532 36.305 -50.350 70.024 A 252 ALA B 136 ALA~? A 253 ALA B 139 ALA~? A 254 GLY B 140 GLY~? A 255 ASP B 137 ASP~? ULMNm 4 1rk2_c02 RIBOKINASE user 1 4 RMSD = 1.33 A TRANSFORM -0.9025 -0.2555 -0.3466 0.3300 -0.9275 -0.1756 -0.2766 -0.2729 0.9214 33.824 31.122 178.738 C 252 ALA A 136 ALA~? C 253 ALA A 139 ALA~? C 254 GLY A 140 GLY~? C 255 ASP A 137 ASP~? ULMNm 4 1rk2_c00 RIBOKINASE user 1 4 RMSD = 1.33 A TRANSFORM 0.8649 -0.4721 0.1707 -0.3928 -0.8482 -0.3555 0.3126 0.2404 -0.9190 20.252 39.411 95.225 A 252 ALA A 136 ALA~? A 253 ALA A 139 ALA~? A 254 GLY A 140 GLY~? A 255 ASP A 137 ASP~? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 1 3 RMSD = 0.86 A TRANSFORM 0.4325 -0.1335 0.8917 -0.6860 -0.6905 0.2293 0.5852 -0.7109 -0.3902 -42.709 75.144 69.808 A 311 GLU B 74 GLU~? A 475 GLU B 78 GLU~? A 477 ARG B 77 ARG~? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 1 3 RMSD = 0.90 A TRANSFORM -0.4688 0.1515 -0.8702 0.2939 -0.9023 -0.3154 -0.8330 -0.4036 0.3784 98.605 51.193 106.642 B 311 GLU B 74 GLU~? B 475 GLU B 78 GLU~? B 477 ARG B 77 ARG~? ULMNm 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 RMSD = 0.93 A TRANSFORM -0.8958 -0.1167 0.4289 0.0980 0.8894 0.4466 -0.4335 0.4421 -0.7853 23.259 -21.665 45.988 A 317 GLU A 44 GLU~? A 319 ASP A 48 ASP~? A 359 ARG A 52 ARG~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 0.97 A TRANSFORM 0.6409 0.2072 -0.7392 -0.0618 -0.9458 -0.3188 -0.7652 0.2500 -0.5933 1.848 68.322 13.692 141 ASP B 36 ASP~? 166 GLY B 24 GLY~? 169 GLU B 20 GLU.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 0.97 A TRANSFORM -0.9587 0.0684 -0.2761 0.2803 0.3935 -0.8755 0.0488 -0.9168 -0.3964 42.907 37.643 75.619 A 316 ALA A 139 ALA~? A 317 GLY A 140 GLY~? A 318 ASP A 137 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 5 3 RMSD = 0.97 A TRANSFORM -0.1794 0.0408 0.9829 0.8591 -0.4803 0.1768 0.4793 0.8762 0.0511 -8.197 23.531 -2.716 A 316 ALA B 139 ALA~? A 317 GLY B 140 GLY~? A 318 ASP B 137 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 11 3 RMSD = 1.03 A TRANSFORM 0.4399 -0.8978 0.0215 0.0294 0.0384 0.9988 -0.8976 -0.4387 0.0433 34.025 -22.318 37.658 141 ASP B 48 ASP~? 166 GLY B 121 GLY.? 169 GLU B 112 GLU~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.06 A TRANSFORM 0.5351 0.4572 0.7104 -0.6912 0.7204 0.0571 -0.4857 -0.5216 0.7015 106.432 5.181 -8.035 A 316 ALA A 139 ALA~? A 317 GLY A 140 GLY~? A 318 ASP A 137 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 5 3 RMSD = 1.06 A TRANSFORM -0.4520 -0.4791 -0.7525 -0.4340 -0.6189 0.6547 -0.7793 0.6225 0.0718 198.061 25.193 -20.386 A 316 ALA B 139 ALA~? A 317 GLY B 140 GLY~? A 318 ASP B 137 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.06 A TRANSFORM -0.2521 -0.9375 0.2399 -0.8977 0.3191 0.3038 -0.3614 -0.1388 -0.9220 34.454 -31.286 -13.542 B 250 ALA A 139 ALA~? B 251 GLY A 140 GLY~? B 252 ASP A 137 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.07 A TRANSFORM -0.2191 0.9752 0.0324 -0.6990 -0.1801 0.6920 0.6807 0.1290 0.7211 -20.923 -30.744 -90.243 B 250 ALA B 139 ALA~? B 251 GLY B 140 GLY~? B 252 ASP B 137 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.08 A TRANSFORM 0.2870 0.8350 -0.4695 -0.8762 0.0307 -0.4810 -0.3872 0.5494 0.7404 -3.921 38.938 -23.954 141 ASP A 48 ASP~? 166 GLY A 121 GLY.? 169 GLU A 112 GLU~? ULMNm 3 1id3_d00 STRUCTURAL PROTEIN/DNA user 2 3 RMSD = 1.11 A TRANSFORM 0.9344 0.0559 -0.3517 0.2887 -0.6972 0.6562 -0.2086 -0.7147 -0.6676 27.247 -14.937 -13.779 E 40 ARG B 103 ARG~? E 41 TYR B 104 TYR~? E 83 ARG A 103 ARG~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.11 A TRANSFORM 0.8914 -0.4463 0.0793 0.4504 0.8524 -0.2657 0.0510 0.2725 0.9608 27.016 -33.375 -40.288 A 250 ALA A 139 ALA~? A 251 GLY A 140 GLY~? A 252 ASP A 137 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.11 A TRANSFORM 0.3686 0.3299 -0.8691 0.3386 -0.9183 -0.2050 -0.8657 -0.2187 -0.4502 40.296 23.334 34.266 A 250 ALA B 139 ALA~? A 251 GLY B 140 GLY~? A 252 ASP B 137 ASP~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 1.13 A TRANSFORM -0.5955 0.7662 0.2414 0.7673 0.4535 0.4534 0.2380 0.4552 -0.8580 -17.309 7.746 118.483 A 270 ASN B 129 ASN.? A 384 ASN A 149 ASN~? A 385 GLU A 148 GLU~? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.14 A TRANSFORM 0.3031 -0.8251 0.4769 -0.9429 -0.3321 0.0247 0.1380 -0.4571 -0.8786 -32.316 19.262 85.993 D 603 HIS A 62 HIS~? D 646 ASP B 48 ASP~? D 739 GLY B 145 GLY~? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.16 A TRANSFORM -0.0677 0.1627 0.9843 0.9171 0.3986 -0.0029 -0.3928 0.9026 -0.1762 -50.672 -28.260 4.651 A 603 HIS A 62 HIS~? A 646 ASP B 48 ASP~? A 739 GLY B 145 GLY~? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 RMSD = 1.16 A TRANSFORM 0.6679 -0.0607 -0.7418 -0.1237 0.9738 -0.1910 0.7339 0.2194 0.6429 27.605 71.515 -10.125 A 137 ARG A 150 ARG.? A 141 THR A 144 THR~? A 235 ASP B 84 ASP~? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.16 A TRANSFORM 0.3525 -0.8146 0.4606 -0.9217 -0.3873 0.0205 0.1617 -0.4317 -0.8874 21.002 21.158 46.561 C 603 HIS A 62 HIS~? C 646 ASP B 48 ASP~? C 739 GLY B 145 GLY~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.17 A TRANSFORM 0.0494 0.9932 -0.1053 -0.2831 0.1150 0.9522 0.9578 -0.0172 0.2869 41.182 -22.867 -13.592 A 67 ASP A 36 ASP~? A 68 ALA A 39 ALA~? A 72 LEU A 43 LEU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.17 A TRANSFORM 0.3384 0.8215 -0.4590 0.3597 0.3378 0.8698 0.8695 -0.4594 -0.1812 -5.515 -34.418 -2.213 141 ASP A 48 ASP~? 166 GLY A 34 GLY~? 169 GLU A 112 GLU~? ULMNm 3 3hde_o00 LYSOZYME user 3 3 RMSD = 1.18 A TRANSFORM -0.4467 -0.8469 -0.2883 0.8456 -0.5050 0.1732 -0.2922 -0.1664 0.9417 23.697 -40.723 -56.729 A 35 GLU A 112 GLU~? A 44 ASP A 36 ASP~? A 50 THR A 33 THR~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.18 A TRANSFORM 0.3412 -0.8215 0.4569 0.8956 0.4317 0.1074 -0.2854 0.3725 0.8830 49.748 -32.647 -29.324 B 46 HIS A 62 HIS~? B 163 ALA A 65 ALA~? B 182 SER A 66 SER~? ULMNm 3 1ddj_c15 PLASMINOGEN user 4 3 RMSD = 1.21 A TRANSFORM 0.9096 -0.0539 -0.4120 -0.1832 0.8379 -0.5142 0.3729 0.5432 0.7523 -25.870 14.550 9.066 D 603 HIS B 151 HIS.? D 646 ASP A 84 ASP~? D 739 GLY A 73 GLY~? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.21 A TRANSFORM -0.0146 0.1670 0.9858 0.9383 0.3431 -0.0443 -0.3456 0.9243 -0.1617 -79.328 -25.180 -35.626 B 603 HIS A 62 HIS~? B 646 ASP B 48 ASP~? B 739 GLY B 145 GLY~? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 1 3 RMSD = 1.21 A TRANSFORM -0.3040 0.7002 0.6460 0.4946 -0.4636 0.7352 0.8142 0.5430 -0.2054 -12.194 17.941 -2.465 41 HIS A 91 HIS~? 62 GLU A 92 GLU~? 101 HIS A 99 HIS~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.21 A TRANSFORM 0.2775 0.0865 -0.9568 0.3308 0.9264 0.1796 0.9020 -0.3664 0.2284 120.461 102.527 134.690 B 141 GLY A 110 GLY~? B 144 GLU A 111 GLU~? B 164 GLU A 119 GLU.? ULMNm 3 1qrz_c23 PLASMINOGEN user 3 3 RMSD = 1.21 A TRANSFORM -0.1775 0.8159 -0.5503 -0.4286 0.4393 0.7895 0.8859 0.3759 0.2717 -45.289 -37.542 11.144 D 603 HIS B 62 HIS~? D 646 ASP A 48 ASP~? D 739 GLY A 145 GLY~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.22 A TRANSFORM -0.1371 -0.1294 0.9821 -0.3193 -0.9328 -0.1674 0.9377 -0.3365 0.0866 23.096 82.030 142.130 F 141 GLY A 110 GLY~? F 144 GLU A 111 GLU~? F 164 GLU A 119 GLU.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.22 A TRANSFORM -0.6401 -0.5804 -0.5033 -0.6361 0.0330 0.7709 -0.4309 0.8136 -0.3903 80.703 13.529 6.866 199 ASP A 137 ASP~? 242 GLU B 61 GLU~? 329 ASP A 131 ASP.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.22 A TRANSFORM 0.4652 -0.7423 0.4822 0.4182 0.6644 0.6194 -0.7802 -0.0864 0.6195 34.853 76.122 122.099 C 141 GLY A 110 GLY~? C 144 GLU A 111 GLU~? C 164 GLU A 119 GLU.? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.23 A TRANSFORM 0.6782 -0.6691 0.3039 -0.2764 0.1509 0.9491 -0.6809 -0.7277 -0.0826 87.223 33.034 127.677 C 95 ASP B 36 ASP~? C 117 GLU B 108 GLU~? C 131 GLU B 37 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.23 A TRANSFORM -0.6143 0.6994 -0.3654 -0.3870 -0.6706 -0.6329 -0.6877 -0.2474 0.6826 105.087 109.254 116.052 D 141 GLY A 110 GLY~? D 144 GLU A 111 GLU~? D 164 GLU A 119 GLU.? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 RMSD = 1.23 A TRANSFORM -0.6779 0.0469 0.7336 0.1363 -0.9726 0.1882 0.7224 0.2276 0.6530 -26.589 89.487 -10.475 C 137 ARG A 150 ARG.? C 141 THR A 144 THR~? C 235 ASP B 84 ASP~? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.23 A TRANSFORM -0.9108 -0.0849 -0.4040 0.3895 -0.5007 -0.7730 -0.1366 -0.8614 0.4891 14.311 33.043 36.533 A 603 HIS B 62 HIS~? A 646 ASP A 48 ASP~? A 739 GLY A 145 GLY~? ULMNm 3 1qrz_c22 PLASMINOGEN user 3 3 RMSD = 1.24 A TRANSFORM -0.1413 0.7988 -0.5848 -0.4083 0.4911 0.7695 0.9018 0.3475 0.2568 9.686 -38.582 -26.243 C 603 HIS B 62 HIS~? C 646 ASP A 48 ASP~? C 739 GLY A 145 GLY~? ULMNm 3 3hde_o00 LYSOZYME user 8 3 RMSD = 1.25 A TRANSFORM 0.1104 0.8784 0.4650 0.3104 0.4140 -0.8557 -0.9442 0.2388 -0.2269 -65.010 -29.224 -22.037 A 35 GLU B 112 GLU~? A 44 ASP B 36 ASP~? A 50 THR B 33 THR~? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 RMSD = 1.25 A TRANSFORM -0.6360 0.0148 0.7716 -0.2825 0.9259 -0.2506 -0.7181 -0.3774 -0.5847 -30.201 77.725 149.299 D 137 ARG A 150 ARG.? D 141 THR A 144 THR~? D 235 ASP B 84 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.27 A TRANSFORM -0.0524 -0.9982 0.0289 -0.9807 0.0460 -0.1902 0.1885 -0.0383 -0.9813 102.530 25.194 38.634 A 67 ASP B 36 ASP~? A 68 ALA B 39 ALA~? A 72 LEU B 43 LEU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.27 A TRANSFORM 0.9589 0.2122 -0.1882 0.0812 -0.8411 -0.5348 -0.2717 0.4975 -0.8238 85.939 101.176 202.646 E 141 GLY A 110 GLY~? E 144 GLU A 111 GLU~? E 164 GLU A 119 GLU.? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 4 3 RMSD = 1.27 A TRANSFORM 0.3785 0.0820 -0.9219 -0.9197 0.1452 -0.3647 0.1039 0.9860 0.1304 44.060 59.170 34.036 A 241 ASP B 137 ASP~? A 279 GLU A 141 GLU~? A 369 ASP B 131 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 10 3 RMSD = 1.28 A TRANSFORM 0.4565 -0.8892 -0.0316 -0.5872 -0.2744 -0.7615 0.6684 0.3661 -0.6474 34.347 50.623 -10.875 141 ASP B 48 ASP~? 166 GLY B 34 GLY~? 169 GLU B 112 GLU~? ULMNm 3 2bsq_d00 TRANSCRIPTION user 2 3 RMSD = 1.28 A TRANSFORM 0.3819 0.7848 0.4881 -0.9242 0.3245 0.2015 -0.0003 -0.5281 0.8492 -50.334 -26.354 30.323 E 3 SER A 55 SER~? E 5 VAL A 57 VAL~? E 7 ARG B 150 ARG.? ULMNm 3 1qrz_c21 PLASMINOGEN user 3 3 RMSD = 1.29 A TRANSFORM -0.8876 -0.0953 -0.4506 0.4420 -0.4509 -0.7755 -0.1293 -0.8875 0.4423 -11.901 31.007 0.341 B 603 HIS B 62 HIS~? B 646 ASP A 48 ASP~? B 739 GLY A 145 GLY~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 9 3 RMSD = 1.29 A TRANSFORM -0.1172 -0.2488 0.9614 -0.9931 0.0220 -0.1154 0.0076 -0.9683 -0.2496 32.336 30.733 63.427 A 67 ASP B 48 ASP~? A 68 ALA B 49 ALA~? A 72 LEU B 94 LEU~? ULMNm 3 1pyl_c01 RIBONUCLEASE user 1 3 RMSD = 1.30 A TRANSFORM 0.6672 -0.3720 -0.6453 -0.7366 -0.4581 -0.4975 -0.1105 0.8073 -0.5797 45.467 19.687 -9.839 B 56 GLU A 81 GLU~? B 67 ARG A 88 ARG~? B 86 HIS B 151 HIS.? ULMNm 3 2bsq_d00 TRANSCRIPTION user 3 3 RMSD = 1.30 A TRANSFORM -0.3528 -0.7638 -0.5405 -0.6819 -0.1857 0.7075 -0.6407 0.6182 -0.4553 43.695 -29.141 44.636 E 3 SER B 55 SER~? E 5 VAL B 57 VAL~? E 7 ARG A 150 ARG.? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 2 3 RMSD = 1.30 A TRANSFORM -0.2711 0.8284 -0.4902 0.7100 -0.1718 -0.6829 -0.6499 -0.5332 -0.5416 -10.686 12.060 49.239 150 ASP A 84 ASP~? 153 ARG A 87 ARG~? 177 HIS B 151 HIS.? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.30 A TRANSFORM 0.4389 0.4090 0.8001 0.7476 0.3277 -0.5777 -0.4985 0.8516 -0.1619 -63.962 -18.342 51.163 B 156 HIS B 99 HIS~? B 208 ASP B 137 ASP~? B 296 SER A 66 SER~? ULMNm 3 3hde_o00 LYSOZYME user 6 3 RMSD = 1.31 A TRANSFORM -0.8690 0.3157 0.3810 0.1152 0.8779 -0.4648 -0.4812 -0.3600 -0.7993 -3.794 -28.817 31.612 A 35 GLU B 61 GLU~? A 44 ASP B 84 ASP~? A 50 THR B 80 THR~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.32 A TRANSFORM 0.3738 0.6473 -0.6643 -0.8946 0.0625 -0.4425 -0.2449 0.7597 0.6024 -20.474 28.154 -50.520 141 ASP B 36 ASP~? 166 GLY B 24 GLY~? 169 GLU B 141 GLU~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.33 A TRANSFORM 0.3682 0.9253 0.0911 0.2514 -0.1934 0.9484 0.8951 -0.3263 -0.3038 -28.325 9.752 49.805 A 316 ALA B 40 ALA~? A 317 GLY B 34 GLY~? A 318 ASP B 36 ASP~? ULMNm 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 RMSD = 1.34 A TRANSFORM -0.3850 0.7271 0.5685 0.9208 0.2611 0.2897 0.0622 0.6350 -0.7700 -25.500 -120.198 -33.187 A 144 HIS B 91 HIS~? A 174 ASP B 131 ASP~? A 404 TYR A 147 TYR~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 8 3 RMSD = 1.34 A TRANSFORM -0.7978 0.4466 0.4051 -0.0806 0.5869 -0.8057 -0.5975 -0.6754 -0.4322 35.600 6.754 70.286 A 67 ASP B 48 ASP~? A 68 ALA B 49 ALA~? A 72 LEU B 46 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.34 A TRANSFORM -0.7832 -0.3086 0.5398 0.5894 -0.6450 0.4864 0.1980 0.6991 0.6870 55.831 -5.013 -21.863 A 67 ASP A 48 ASP~? A 68 ALA A 49 ALA~? A 72 LEU A 46 LEU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.35 A TRANSFORM 0.6965 -0.7134 0.0772 -0.0753 0.0343 0.9966 -0.7136 -0.6999 -0.0299 -4.810 -28.765 23.675 141 ASP A 36 ASP~? 166 GLY A 24 GLY~? 169 GLU A 141 GLU~? ULMNm 3 1ef8_c00 METHYLMALONYL COA DECARBOXYLASE user 1 3 RMSD = 1.35 A TRANSFORM 0.9405 -0.0399 -0.3373 -0.3358 -0.2589 -0.9057 -0.0512 0.9651 -0.2569 17.333 47.981 7.639 A 66 HIS A 35 HIS.? A 110 GLY A 34 GLY~? A 140 TYR A 109 TYR~? ULMNm 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 2 3 RMSD = 1.35 A TRANSFORM -0.3625 -0.3928 -0.8452 -0.8734 -0.1733 0.4552 -0.3253 0.9032 -0.2802 48.456 22.229 -18.814 166 ASP A 84 ASP~? 169 ARG A 87 ARG~? 193 HIS B 151 HIS.? ULMNm 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 RMSD = 1.35 A TRANSFORM -0.0725 -0.3963 0.9152 0.5889 0.7236 0.3600 -0.8050 0.5651 0.1809 78.934 -30.222 -13.454 K 144 HIS B 91 HIS~? K 174 ASP B 131 ASP~? K 404 TYR A 147 TYR~? ULMNm 3 1b6t_c00 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 1 3 RMSD = 1.36 A TRANSFORM 0.1656 0.9019 -0.3989 -0.9576 0.2438 0.1538 0.2359 0.3565 0.9040 -6.967 46.289 9.219 A 18 HIS A 62 HIS~? A 91 ARG A 63 ARG~? A 129 SER A 66 SER~? ULMNm 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 RMSD = 1.36 A TRANSFORM -0.0932 -0.5757 -0.8123 0.5340 -0.7175 0.4472 -0.8403 -0.3921 0.3743 46.174 -19.764 109.856 I 144 HIS B 91 HIS~? I 174 ASP B 131 ASP~? I 404 TYR A 147 TYR~? ULMNm 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 RMSD = 1.37 A TRANSFORM 0.6493 0.5942 0.4747 -0.1848 0.7287 -0.6594 -0.7378 0.3404 0.5829 -65.181 -104.544 53.583 E 144 HIS B 91 HIS~? E 174 ASP B 131 ASP~? E 404 TYR A 147 TYR~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.37 A TRANSFORM 0.1418 -0.9879 -0.0622 -0.7579 -0.1488 0.6352 -0.6367 -0.0430 -0.7699 60.052 56.025 189.932 F 141 GLY A 110 GLY~? F 144 GLU A 111 GLU~? F 164 GLU A 112 GLU~? ULMNm 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 RMSD = 1.37 A TRANSFORM -0.6422 -0.7644 0.0571 0.1835 -0.2257 -0.9568 0.7442 -0.6040 0.2852 102.391 -56.113 41.366 G 144 HIS B 91 HIS~? G 174 ASP B 131 ASP~? G 404 TYR A 147 TYR~? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 2 3 RMSD = 1.37 A TRANSFORM -0.8047 -0.5936 -0.0103 -0.4028 0.5586 -0.7251 0.4362 -0.5793 -0.6886 57.117 43.826 54.733 41 HIS B 91 HIS~? 62 GLU B 92 GLU~? 101 HIS B 99 HIS~? ULMNm 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 RMSD = 1.37 A TRANSFORM 0.0173 -0.7700 -0.6378 -0.5398 0.5298 -0.6542 0.8416 0.3556 -0.4065 41.193 107.574 -28.887 C 144 HIS B 91 HIS~? C 174 ASP B 131 ASP~? C 404 TYR A 147 TYR~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.38 A TRANSFORM 0.6564 0.2922 -0.6955 -0.4859 0.8690 -0.0935 0.5770 0.3994 0.7124 -4.331 -32.316 -46.886 141 ASP B 36 ASP~? 166 GLY B 117 GLY.? 169 GLU B 20 GLU.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.38 A TRANSFORM -0.2030 0.3735 -0.9052 -0.9051 0.2810 0.3190 0.3735 0.8840 0.2810 124.332 78.517 154.377 E 141 GLY A 110 GLY~? E 144 GLU A 111 GLU~? E 164 GLU A 112 GLU~? ULMNm 3 3hde_o01 LYSOZYME user 6 3 RMSD = 1.38 A TRANSFORM 0.5066 0.7446 0.4346 -0.3615 -0.2742 0.8911 0.7828 -0.6085 0.1303 -58.564 -34.110 -34.306 B 35 GLU B 61 GLU~? B 44 ASP B 84 ASP~? B 50 THR B 80 THR~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.39 A TRANSFORM 0.7862 0.4557 0.4173 -0.5907 0.3562 0.7240 0.1813 -0.8157 0.5493 61.684 59.877 112.757 D 141 GLY A 110 GLY~? D 144 GLU A 111 GLU~? D 164 GLU A 112 GLU~? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.39 A TRANSFORM -0.5207 -0.1171 0.8457 0.3651 -0.9259 0.0966 0.7717 0.3591 0.5249 -6.908 7.032 -53.774 A 35 GLU A 61 GLU~? A 44 ASP A 84 ASP~? A 50 THR A 80 THR~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.39 A TRANSFORM -0.7413 -0.6013 -0.2981 0.5732 -0.3362 -0.7473 0.3491 -0.7249 0.5938 76.298 126.336 112.169 C 141 GLY A 110 GLY~? C 144 GLU A 111 GLU~? C 164 GLU A 112 GLU~? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.40 A TRANSFORM -0.2196 -0.5925 -0.7751 0.9565 0.0257 -0.2906 0.1920 -0.8052 0.5611 106.911 77.462 17.996 A 608 ASP A 84 ASP~? A 610 HIS B 151 HIS.? A 661 HIS A 91 HIS~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.40 A TRANSFORM -0.2236 0.9721 -0.0701 0.7603 0.1290 -0.6366 -0.6098 -0.1957 -0.7680 91.643 129.121 187.195 B 141 GLY A 110 GLY~? B 144 GLU A 111 GLU~? B 164 GLU A 112 GLU~? ULMNm 3 1c82_c01 HYALURONATE LYASE user 4 3 RMSD = 1.40 A TRANSFORM 0.0349 0.5052 0.8623 -0.2409 -0.8331 0.4979 0.9699 -0.2251 0.0926 -43.607 0.180 17.313 A 399 HIS B 91 HIS~? A 408 TYR B 53 TYR~? A 462 ARG B 87 ARG~? ULMNm 3 1ef8_c00 METHYLMALONYL COA DECARBOXYLASE user 2 3 RMSD = 1.40 A TRANSFORM 0.6702 -0.0143 -0.7421 0.7157 0.2772 0.6410 0.1965 -0.9607 0.1960 30.717 -36.516 51.464 A 66 HIS B 35 HIS.? A 110 GLY B 34 GLY~? A 140 TYR B 109 TYR~? ULMNm 3 1cb8_c01 CHONDROITINASE AC user 4 3 RMSD = 1.41 A TRANSFORM 0.0497 0.4558 0.8887 -0.6596 0.6831 -0.3135 -0.7499 -0.5706 0.3346 -29.062 30.184 68.372 A 225 HIS B 91 HIS~? A 234 TYR B 53 TYR~? A 288 ARG B 87 ARG~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 4 3 RMSD = 1.42 A TRANSFORM -0.0791 0.8298 -0.5524 0.1633 -0.5358 -0.8284 -0.9834 -0.1558 -0.0931 34.691 39.971 30.506 B 46 HIS B 62 HIS~? B 163 ALA B 65 ALA~? B 182 SER B 66 SER~? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.42 A TRANSFORM 0.2693 -0.4382 0.8576 -0.9582 -0.0323 0.2844 -0.0970 -0.8983 -0.4286 -17.681 84.950 92.870 C 608 ASP A 84 ASP~? C 610 HIS B 151 HIS.? C 661 HIS A 91 HIS~? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 2 3 RMSD = 1.42 A TRANSFORM -0.4007 -0.9104 0.1026 -0.8747 0.4135 0.2529 -0.2727 0.0116 -0.9620 111.057 43.915 202.535 28 GLU B 92 GLU~? 70 HIS B 91 HIS~? 281 HIS A 35 HIS.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.44 A TRANSFORM -0.1394 -0.6095 -0.7804 0.7852 -0.5482 0.2880 -0.6034 -0.5726 0.5550 42.968 25.992 29.922 141 ASP A 72 ASP~? 166 GLY B 34 GLY~? 169 GLU B 112 GLU~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.44 A TRANSFORM -0.7746 -0.4519 -0.4424 -0.1980 -0.4911 0.8483 -0.6006 0.7447 0.2910 76.417 23.698 -10.353 199 ASP A 137 ASP~? 242 GLU B 59 GLU~? 329 ASP A 131 ASP.? ULMNm 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 2 3 RMSD = 1.44 A TRANSFORM 0.3120 -0.5750 0.7563 -0.9260 -0.0061 0.3774 -0.2124 -0.8181 -0.5344 23.599 29.192 93.720 A 158 ASP A 84 ASP~? A 161 ARG A 87 ARG~? A 186 HIS B 151 HIS.? ULMNm 3 1ddj_c14 PLASMINOGEN user 4 3 RMSD = 1.44 A TRANSFORM -0.6551 -0.7536 -0.0553 0.0482 -0.1148 0.9922 -0.7540 0.6473 0.1115 45.942 46.180 38.869 C 603 HIS B 151 HIS.? C 646 ASP A 84 ASP~? C 739 GLY A 73 GLY~? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 5 3 RMSD = 1.44 A TRANSFORM 0.9909 -0.1037 -0.0860 0.1220 0.9612 0.2474 0.0570 -0.2556 0.9651 -18.216 -30.346 1.985 B 317 GLU B 81 GLU~? B 319 ASP B 84 ASP~? B 359 ARG B 87 ARG~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.46 A TRANSFORM -0.8500 0.0609 -0.5232 -0.1278 0.9397 0.3171 0.5110 0.3364 -0.7910 162.972 -4.548 33.324 A 311 HIS A 151 HIS.? A 341 GLU B 61 GLU~? A 356 HIS B 91 HIS~? ULMNm 3 1qrz_c22 PLASMINOGEN user 4 3 RMSD = 1.46 A TRANSFORM -0.3725 -0.8350 0.4049 0.4266 -0.5416 -0.7243 0.8241 -0.0971 0.5580 34.746 37.367 -26.557 C 603 HIS B 99 HIS~? C 646 ASP B 131 ASP~? C 739 GLY B 50 GLY~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 2 3 RMSD = 1.46 A TRANSFORM -0.0292 -0.9594 0.2804 0.9016 -0.1464 -0.4070 0.4316 0.2409 0.8693 -10.675 15.790 -74.430 B 8 HIS A 91 HIS~? B 80 GLU A 92 GLU~? B 223 ARG B 68 ARG~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM -0.6683 0.0615 0.7413 0.1568 -0.9625 0.2212 0.7271 0.2641 0.6337 -14.447 62.865 32.570 A 241 ASP B 137 ASP~? A 265 GLU B 20 GLU.? A 369 ASP B 131 ASP~? ULMNm 3 1qrz_c21 PLASMINOGEN user 4 3 RMSD = 1.47 A TRANSFORM -0.9121 -0.1523 -0.3806 -0.4022 0.5125 0.7587 0.0796 0.8451 -0.5287 -6.119 -44.110 -26.508 B 603 HIS B 99 HIS~? B 646 ASP B 131 ASP~? B 739 GLY B 50 GLY~? ULMNm 3 1ddj_c12 PLASMINOGEN user 3 3 RMSD = 1.47 A TRANSFORM -0.6351 -0.7724 0.0038 0.0538 -0.0394 0.9978 -0.7706 0.6339 0.0666 48.144 44.254 -23.059 A 603 HIS B 151 HIS.? A 646 ASP A 84 ASP~? A 739 GLY A 73 GLY~? ULMNm 3 3hde_o02 LYSOZYME user 8 3 RMSD = 1.47 A TRANSFORM 0.9102 -0.2869 -0.2987 0.3906 0.3549 0.8494 -0.1377 -0.8898 0.4351 18.709 -53.509 8.531 C 35 GLU B 61 GLU~? C 44 ASP B 84 ASP~? C 50 THR B 80 THR~? ULMNm 3 1fgj_c01 HYDROXYLAMINE OXIDOREDUCTASE user 1 3 RMSD = 1.47 A TRANSFORM 0.2544 0.9671 0.0048 -0.9550 0.2504 0.1592 0.1528 -0.0451 0.9872 21.920 45.305 -56.214 B 267 ASP A 36 ASP~? B 268 HIS A 35 HIS.? B 334 TYR A 109 TYR~? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 RMSD = 1.47 A TRANSFORM 0.5406 -0.4411 0.7164 0.1086 0.8810 0.4605 -0.8342 -0.1711 0.5242 -19.489 -21.759 45.972 B 317 GLU A 44 GLU~? B 319 ASP A 48 ASP~? B 359 ARG A 52 ARG~? ULMNm 3 1qrz_c20 PLASMINOGEN user 3 3 RMSD = 1.48 A TRANSFORM -0.8889 -0.1674 -0.4263 -0.4437 0.5456 0.7109 0.1136 0.8211 -0.5593 23.586 -42.917 13.430 A 603 HIS B 99 HIS~? A 646 ASP B 131 ASP~? A 739 GLY B 50 GLY~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.48 A TRANSFORM 0.6407 0.3650 0.6755 0.7557 -0.4551 -0.4709 0.1355 0.8122 -0.5674 56.407 125.215 168.858 B 141 GLY A 110 GLY~? B 144 GLU A 119 GLU.? B 164 GLU A 111 GLU~? ULMNm 3 2dbt_c00 CHITINASE C user 2 3 RMSD = 1.49 A TRANSFORM -0.8354 0.3521 0.4221 0.4649 0.8622 0.2009 -0.2932 0.3641 -0.8840 60.564 3.181 41.099 A 147 GLU A 119 GLU.? A 156 GLU A 112 GLU~? A 194 ASN A 102 ASN~? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.49 A TRANSFORM -0.0386 -0.9990 0.0210 -0.9979 0.0396 0.0509 -0.0517 -0.0190 -0.9985 51.301 22.022 59.888 B 630 SER A 66 SER~? B 709 ASP B 48 ASP~? B 740 HIS A 62 HIS~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.49 A TRANSFORM 0.8006 -0.0665 -0.5955 -0.2206 0.8913 -0.3961 0.5572 0.4485 0.6989 -20.077 13.872 -51.506 B 603 HIS B 151 HIS.? B 646 ASP A 84 ASP~? B 739 GLY A 73 GLY~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.49 A TRANSFORM -0.6015 -0.2439 -0.7608 -0.7632 0.4567 0.4570 0.2360 0.8555 -0.4608 91.849 60.457 166.515 F 141 GLY A 110 GLY~? F 144 GLU A 119 GLU.? F 164 GLU A 111 GLU~? ULMNm 3 1joa_c00 NADH PEROXIDASE user 3 3 RMSD = 1.50 A TRANSFORM 0.9828 0.1761 -0.0552 -0.0719 0.0896 -0.9934 -0.1699 0.9803 0.1008 35.099 91.737 24.851 10 HIS B 99 HIS~? 41 SER B 97 SER~? 303 ARG B 130 ARG.? ULMNm 3 3hde_o01 LYSOZYME user 2 3 RMSD = 1.50 A TRANSFORM -0.4534 -0.7776 -0.4356 -0.8905 0.4166 0.1832 0.0390 0.4709 -0.8813 33.247 -23.178 -27.521 B 35 GLU A 61 GLU~? B 44 ASP A 84 ASP~? B 50 THR A 80 THR~?