*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 16 3 RMSD = 0.64 A TRANSFORM -0.2976 -0.7648 0.5715 -0.6159 0.6112 0.4972 0.7295 0.2040 0.6529 67.078 5.256 -6.531 199 ASP B 85 ASP~? 218 GLU A 84 GLU.? 329 ASP B 151 ASP~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 0.74 A TRANSFORM 0.3274 0.5183 0.7901 -0.8254 -0.2502 0.5061 -0.4600 0.8178 -0.3459 17.937 38.526 -4.172 A 46 HIS A 88 HIS.? A 105 GLU A 92 GLU~? A 109 HIS B 61 HIS.? ULMNm 3 1b66_c00 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASEuser 4 3 RMSD = 0.81 A TRANSFORM -0.5927 0.3309 -0.7343 0.7880 0.0495 -0.6137 0.1666 0.9423 0.2901 65.617 29.349 21.599 A 133 GLU A 125 GLU~? B 88 ASP B 151 ASP~? B 89 HIS B 155 HIS~? ULMNm 3 1b66_c02 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASEuser 4 3 RMSD = 0.81 A TRANSFORM -0.5927 0.3309 -0.7343 0.7880 0.0495 -0.6137 0.1666 0.9423 0.2901 65.617 29.349 21.599 A 133 GLU A 125 GLU~? B 88 ASP B 151 ASP~? B 89 HIS B 155 HIS~? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 2 3 RMSD = 0.86 A TRANSFORM -0.8972 0.1320 0.4215 -0.0477 0.9197 -0.3896 0.4391 0.3697 0.8189 57.168 -5.085 8.655 A 44 HIS A 88 HIS.? A 45 HIS A 47 HIS~? A 261 PHE A 75 PHE~? ULMNm 3 4kbp_c02 PURPLE ACID PHOSPHATASE user 2 3 RMSD = 0.95 A TRANSFORM 0.2484 0.4393 -0.8633 0.9592 -0.2360 0.1559 0.1353 0.8668 0.4799 52.839 14.556 44.071 C 202 HIS A 87 HIS.? C 295 HIS A 155 HIS~? C 296 HIS A 47 HIS~? ULMNm 3 4kbp_c03 PURPLE ACID PHOSPHATASE user 2 3 RMSD = 0.97 A TRANSFORM -0.3463 -0.8715 -0.3472 0.9181 -0.3910 0.0656 0.1929 0.2960 -0.9355 81.127 107.528 49.637 D 202 HIS A 87 HIS.? D 295 HIS A 155 HIS~? D 296 HIS A 47 HIS~? ULMNm 3 4kbp_c00 PURPLE ACID PHOSPHATASE user 2 3 RMSD = 0.97 A TRANSFORM 0.2652 0.7345 0.6247 -0.9184 0.3898 -0.0685 0.2938 0.5555 -0.7779 46.975 71.481 44.115 A 202 HIS A 87 HIS.? A 295 HIS A 155 HIS~? A 296 HIS A 47 HIS~? ULMNm 3 4kbp_c01 PURPLE ACID PHOSPHATASE user 2 3 RMSD = 0.98 A TRANSFORM -0.2513 -0.4370 0.8637 0.8474 -0.5305 -0.0219 -0.4678 -0.7263 -0.5036 23.352 20.883 78.380 B 202 HIS A 87 HIS.? B 295 HIS A 155 HIS~? B 296 HIS A 47 HIS~? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 6 3 RMSD = 1.03 A TRANSFORM -0.8826 0.3559 0.3071 -0.3257 0.0081 -0.9454 0.3390 0.9345 -0.1088 34.921 53.190 52.229 A 223 HIS A 88 HIS.? A 262 HIS B 61 HIS.? A 312 ASP A 85 ASP.? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 6 3 RMSD = 1.05 A TRANSFORM -0.5905 0.8033 -0.0779 0.0829 0.1564 0.9842 -0.8028 -0.5747 0.1590 23.114 13.607 110.605 B 223 HIS A 88 HIS.? B 262 HIS B 61 HIS.? B 312 ASP A 85 ASP.? ULMNm 3 1b66_c00 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASEuser 2 3 RMSD = 1.10 A TRANSFORM -0.7097 0.2601 -0.6547 0.6986 0.1390 -0.7019 0.0915 0.9555 0.2804 65.585 28.387 21.124 A 133 GLU A 124 GLU~? B 88 ASP B 151 ASP~? B 89 HIS B 155 HIS~? ULMNm 3 1b66_c02 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASEuser 2 3 RMSD = 1.10 A TRANSFORM -0.7097 0.2601 -0.6547 0.6986 0.1390 -0.7019 0.0915 0.9555 0.2804 65.585 28.387 21.124 A 133 GLU A 124 GLU~? B 88 ASP B 151 ASP~? B 89 HIS B 155 HIS~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.12 A TRANSFORM -0.1506 0.9886 -0.0003 0.7892 0.1204 0.6023 -0.5954 -0.0905 0.7983 -24.735 -8.076 54.373 E 124 ALA B 58 ALA~? E 126 ARG B 144 ARG~? E 138 GLU A 92 GLU~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 14 3 RMSD = 1.13 A TRANSFORM -0.4152 0.8747 -0.2501 0.8985 0.3510 -0.2637 0.1429 0.3342 0.9316 -22.374 -1.132 -45.263 A 49 ASP B 81 ASP.? A 147 THR B 72 THR~? A 294 ASP B 78 ASP.? ULMNm 3 1ez2_c01 PHOSPHOTRIESTERASE user 1 3 RMSD = 1.14 A TRANSFORM -0.3197 -0.5438 0.7759 0.7441 0.3628 0.5609 0.5866 -0.7567 -0.2887 52.191 -56.686 33.878 B 233 ASP B 151 ASP~? B 254 HIS B 47 HIS~? B 301 ASP B 85 ASP~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.15 A TRANSFORM 0.7890 -0.3831 0.4804 -0.3103 -0.9232 -0.2265 -0.5302 -0.0296 0.8473 -3.236 24.178 52.382 D 124 ALA B 58 ALA~? D 126 ARG B 144 ARG~? D 138 GLU A 92 GLU~? ULMNm 3 1ez2_c00 PHOSPHOTRIESTERASE user 1 3 RMSD = 1.17 A TRANSFORM -0.2729 -0.5715 0.7739 -0.7181 -0.4143 -0.5592 -0.6402 0.7084 0.2973 51.867 23.568 3.394 A 233 ASP B 151 ASP~? A 254 HIS B 47 HIS~? A 301 ASP B 85 ASP~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.19 A TRANSFORM -0.6522 -0.5747 -0.4943 -0.5379 0.8104 -0.2324 -0.5341 -0.1143 0.8377 14.002 -11.263 54.380 F 124 ALA B 58 ALA~? F 126 ARG B 144 ARG~? F 138 GLU A 92 GLU~? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 1.19 A TRANSFORM -0.2835 -0.9368 0.2051 -0.4932 -0.0410 -0.8689 -0.8224 0.3475 0.4504 47.780 31.078 39.741 A 104 HIS A 47 HIS~? E 205 ASP A 151 ASP~? E 208 HIS A 155 HIS~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.19 A TRANSFORM 0.5124 0.8126 0.2777 -0.7234 0.2342 0.6495 -0.4627 0.5337 -0.7079 -29.413 44.186 93.982 B 34 SER A 57 SER~? B 37 ASN A 60 ASN~? B 45 THR A 140 THR^? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.19 A TRANSFORM -0.1545 -0.6263 0.7641 0.0580 0.7663 0.6398 0.9863 -0.1432 0.0820 -61.031 -28.743 -42.304 A 114 HIS A 88 HIS.? A 197 ASP A 85 ASP.? A 223 ALA A 49 ALA~? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 1.19 A TRANSFORM -0.4185 -0.5771 0.7013 0.8631 -0.4930 0.1094 -0.2827 -0.6510 -0.7045 44.049 50.376 50.308 C 205 ASP A 151 ASP~? C 208 HIS A 155 HIS~? E 104 HIS A 47 HIS~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.20 A TRANSFORM -0.1508 0.9885 -0.0089 -0.7923 -0.1263 -0.5970 0.5912 0.0830 -0.8022 -24.543 10.733 28.094 C 124 ALA B 58 ALA~? C 126 ARG B 144 ARG~? C 138 GLU A 92 GLU~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.20 A TRANSFORM 0.1680 0.6220 -0.7648 -0.2145 -0.7341 -0.6442 0.9622 -0.2723 -0.0101 -33.019 28.540 -37.867 B 114 HIS A 88 HIS.? B 197 ASP A 85 ASP.? B 223 ALA A 49 ALA~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.20 A TRANSFORM 0.7873 -0.3898 0.4777 0.3235 0.9207 0.2182 0.5248 0.0172 -0.8510 -3.030 -21.608 30.241 B 124 ALA B 58 ALA~? B 126 ARG B 144 ARG~? B 138 GLU A 92 GLU~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 4 3 RMSD = 1.20 A TRANSFORM 0.7717 -0.5022 -0.3903 -0.3143 0.2325 -0.9204 -0.5530 -0.8329 -0.0216 4.722 39.335 -9.361 A 49 ASP A 81 ASP.? A 147 THR A 72 THR~? A 294 ASP A 53 ASP~? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 1.21 A TRANSFORM -0.8029 -0.5637 0.1937 -0.2590 0.6226 0.7384 0.5368 -0.5428 0.6459 39.074 29.992 60.846 A 205 ASP A 151 ASP~? A 208 HIS A 155 HIS~? C 104 HIS A 47 HIS~? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 12 3 RMSD = 1.21 A TRANSFORM 0.4964 -0.6321 -0.5950 -0.0928 0.6429 -0.7603 -0.8631 -0.4327 -0.2605 19.533 -5.023 59.559 54 ASP B 81 ASP.? 158 THR B 72 THR~? 317 ASP B 78 ASP.? ULMNm 3 2odj_o01 PORIN D user 3 3 RMSD = 1.21 A TRANSFORM -0.7782 -0.3864 0.4952 0.5533 -0.0486 0.8316 0.2973 -0.9211 -0.2516 -6.423 -28.831 67.371 B 156 HIS A 61 HIS.? B 208 ASP A 132 ASP^? B 296 SER A 8 SER~? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 1 3 RMSD = 1.21 A TRANSFORM 0.9771 0.1244 0.1728 0.1969 -0.2202 -0.9554 0.0808 -0.9675 0.2397 23.543 58.682 52.610 124 ASP B 151 ASP~? 260 ASP B 85 ASP~? 289 HIS B 47 HIS~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 2 3 RMSD = 1.22 A TRANSFORM -0.9390 -0.3332 -0.0850 0.3421 -0.9299 -0.1347 0.0342 0.1556 -0.9872 58.449 69.188 63.590 16 ALA B 152 ALA~? 19 HIS B 47 HIS~? 22 HIS B 155 HIS~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 6 3 RMSD = 1.23 A TRANSFORM -0.4490 0.8205 -0.3537 0.8212 0.2230 -0.5252 0.3521 0.5263 0.7740 -30.634 41.721 47.989 B 34 SER B 57 SER~? B 37 ASN B 60 ASN~? B 45 THR B 140 THR^? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 16 3 RMSD = 1.23 A TRANSFORM 0.2152 0.7486 -0.6271 0.9595 -0.0425 0.2786 -0.1820 0.6616 0.7274 43.448 30.847 -22.614 199 ASP B 151 ASP~? 242 GLU B 124 GLU~? 329 ASP B 85 ASP~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.26 A TRANSFORM 0.4310 -0.5665 -0.7024 -0.8576 -0.4993 -0.1235 0.2807 -0.6556 0.7010 52.193 -12.877 -50.371 B 37 ASP A 129 ASP.? B 56 ILE A 122 ILE~? B 82 TYR A 118 TYR~? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 2 3 RMSD = 1.26 A TRANSFORM 0.3177 -0.9355 -0.1543 0.3855 -0.0212 0.9225 0.8663 0.3526 -0.3539 71.889 -6.246 26.662 A 104 HIS B 47 HIS~? E 205 ASP B 151 ASP~? E 208 HIS B 155 HIS~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 5 3 RMSD = 1.26 A TRANSFORM -0.0596 0.8703 -0.4890 0.8781 0.2787 0.3889 -0.4747 0.4062 0.7808 -30.639 27.879 52.335 B 34 SER B 57 SER~? B 37 ASN B 60 ASN~? B 45 THR B 4 THR~? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 3 3 RMSD = 1.27 A TRANSFORM 0.5083 -0.5808 -0.6359 -0.8366 -0.5083 -0.2044 0.2046 -0.6358 0.7442 71.530 85.769 38.449 C 205 ASP B 151 ASP~? C 208 HIS B 155 HIS~? E 104 HIS B 47 HIS~? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 7 3 RMSD = 1.27 A TRANSFORM -0.6464 0.4212 0.6363 0.6779 0.6998 0.2254 0.3503 -0.5770 0.7378 -45.719 47.618 41.721 C 137 ARG B 17 ARG~? C 141 THR B 21 THR~? C 235 ASP B 150 ASP~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 10 3 RMSD = 1.28 A TRANSFORM 0.0122 -0.9999 0.0005 -0.1157 -0.0019 -0.9933 -0.9932 -0.0121 0.1158 10.927 37.574 -40.141 B 8 HIS B 87 HIS~? B 80 GLU B 84 GLU~? B 223 ARG B 13 ARG~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.28 A TRANSFORM 0.4250 -0.5709 -0.7025 -0.8521 -0.5142 -0.0977 0.3055 -0.6401 0.7049 49.349 3.038 -22.914 A 37 ASP A 129 ASP.? A 56 ILE A 122 ILE~? A 82 TYR A 118 TYR~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 21 3 RMSD = 1.28 A TRANSFORM -0.0525 -0.7119 -0.7003 0.4186 -0.6524 0.6318 0.9067 0.2600 -0.3322 50.391 41.716 81.965 A 241 ASP B 151 ASP~? A 265 GLU B 19 GLU~? A 369 ASP B 85 ASP~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 2 3 RMSD = 1.29 A TRANSFORM -0.5169 -0.5950 0.6155 0.8411 -0.4868 0.2358 -0.1593 -0.6396 -0.7520 55.814 -22.871 -5.459 B 37 ASP B 129 ASP.? B 56 ILE B 122 ILE~? B 82 TYR B 118 TYR~? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.29 A TRANSFORM 0.5309 0.4179 -0.7372 -0.7063 0.6990 -0.1124 -0.4684 -0.5803 -0.6662 -24.284 85.381 58.058 C 137 ARG A 17 ARG~? C 141 THR A 21 THR~? C 235 ASP A 150 ASP~? ULMNm 3 1itx_c00 GLYCOSYL HYDROLASE user 1 3 RMSD = 1.29 A TRANSFORM -0.1777 -0.6452 -0.7430 -0.8466 -0.2847 0.4497 0.5017 -0.7090 0.4956 32.009 4.001 22.078 A 202 ASP B 129 ASP.? A 204 GLU A 82 GLU.? A 279 TYR B 118 TYR~? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 3 3 RMSD = 1.29 A TRANSFORM 0.8282 -0.5538 -0.0856 0.3377 0.6152 -0.7124 -0.4472 -0.5611 -0.6966 41.612 31.535 107.106 A 205 ASP B 151 ASP~? A 208 HIS B 155 HIS~? C 104 HIS B 47 HIS~? ULMNm 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 1 3 RMSD = 1.30 A TRANSFORM 0.8720 -0.4257 0.2416 -0.4442 -0.4807 0.7561 0.2058 0.7666 0.6083 24.563 89.063 -5.037 313 ASP B 129 ASP.? 315 GLU A 82 GLU.? 390 TYR B 118 TYR~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 RMSD = 1.30 A TRANSFORM -0.5108 -0.5992 0.6165 0.8399 -0.5009 0.2090 -0.1836 -0.6245 -0.7591 52.944 -5.657 22.270 A 37 ASP B 129 ASP.? A 56 ILE B 122 ILE~? A 82 TYR B 118 TYR~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.30 A TRANSFORM 0.1588 0.8535 0.4962 -0.9172 0.3135 -0.2458 0.3654 0.4161 -0.8327 -26.531 63.737 80.484 B 34 SER A 57 SER~? B 37 ASN A 60 ASN~? B 45 THR A 4 THR~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 2 3 RMSD = 1.30 A TRANSFORM -0.0144 -0.4675 0.8839 -0.2081 -0.8632 -0.4600 -0.9780 0.1905 0.0849 70.804 70.152 135.017 A 50 ASP A 53 ASP~? A 327 GLU B 16 GLU~? A 339 ARG B 13 ARG~? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 7 3 RMSD = 1.31 A TRANSFORM 0.6404 -0.4133 -0.6474 -0.6740 -0.7065 -0.2157 0.3683 -0.5745 0.7310 45.722 113.563 41.914 A 137 ARG B 17 ARG~? A 141 THR B 21 THR~? A 235 ASP B 150 ASP~? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.31 A TRANSFORM 0.6733 -0.2812 0.6838 -0.5489 0.4295 0.7171 0.4954 0.8582 -0.1348 -21.402 53.355 27.410 C 608 ASP B 85 ASP~? C 610 HIS B 47 HIS~? C 661 HIS B 87 HIS~? ULMNm 3 1b66_c02 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASEuser 1 3 RMSD = 1.31 A TRANSFORM -0.5315 0.2858 -0.7974 0.8307 0.3601 -0.4246 -0.1658 0.8880 0.4288 68.647 14.900 18.214 A 133 GLU A 9 GLU~? B 88 ASP B 151 ASP~? B 89 HIS B 155 HIS~? ULMNm 3 1b66_c00 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASEuser 1 3 RMSD = 1.31 A TRANSFORM -0.5315 0.2858 -0.7974 0.8307 0.3601 -0.4246 -0.1658 0.8880 0.4288 68.647 14.900 18.214 A 133 GLU A 9 GLU~? B 88 ASP B 151 ASP~? B 89 HIS B 155 HIS~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 7 3 RMSD = 1.32 A TRANSFORM 0.6540 -0.0845 -0.7518 0.6474 -0.4517 0.6139 0.3915 0.8881 0.2407 61.535 38.563 -11.218 199 ASP B 53 ASP~? 242 GLU B 9 GLU~? 329 ASP B 63 ASP.? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.32 A TRANSFORM 0.1242 0.8922 -0.4341 0.5531 -0.4255 -0.7163 0.8238 0.1511 0.5463 50.527 108.558 -15.819 A 608 ASP B 85 ASP~? A 610 HIS B 47 HIS~? A 661 HIS B 87 HIS~? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.32 A TRANSFORM -0.5230 -0.4101 0.7472 0.7009 -0.7058 0.1032 -0.4851 -0.5777 -0.6565 24.003 76.022 58.400 A 137 ARG A 17 ARG~? A 141 THR A 21 THR~? A 235 ASP A 150 ASP~? ULMNm 3 2odj_o01 PORIN D user 5 3 RMSD = 1.34 A TRANSFORM 0.9495 -0.0903 -0.3004 -0.1055 0.8099 -0.5770 -0.2954 -0.5796 -0.7595 -12.355 -11.120 99.055 B 156 HIS A 88 HIS.? B 208 ASP A 81 ASP.? B 296 SER B 117 SER~? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 4 3 RMSD = 1.34 A TRANSFORM -0.7843 0.6125 0.0983 0.5868 0.6811 0.4378 -0.2012 -0.4011 0.8937 24.775 10.476 92.542 B 223 HIS A 87 HIS.? B 262 HIS B 61 HIS.? B 312 ASP A 85 ASP.? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.35 A TRANSFORM 0.5858 -0.7745 0.2385 0.5943 0.6107 0.5233 0.5510 0.1648 -0.8181 12.844 35.749 138.858 B 109 ASP A 78 ASP.? B 182 GLU A 92 GLU~? B 286 ASN B 134 ASN.? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 1 3 RMSD = 1.36 A TRANSFORM -0.8786 0.1014 0.4666 0.3129 -0.6159 0.7230 -0.3607 -0.7813 -0.5094 23.545 -10.811 19.796 274 HIS A 47 HIS~? 320 HIS A 87 HIS.? 375 ASP A 85 ASP.? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 1 3 RMSD = 1.36 A TRANSFORM -0.5260 0.6694 -0.5246 -0.3927 -0.7383 -0.5483 0.7544 0.0824 -0.6512 39.252 54.541 60.164 A 223 HIS A 47 HIS~? A 262 HIS A 87 HIS.? A 312 ASP A 85 ASP.? ULMNm 3 2odj_o01 PORIN D user 17 3 RMSD = 1.36 A TRANSFORM 0.8442 -0.4172 -0.3366 -0.4239 -0.1353 -0.8955 -0.3281 -0.8987 0.2911 1.594 11.412 87.865 B 156 HIS B 61 HIS.? B 208 ASP B 132 ASP^? B 296 SER B 8 SER~? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 3 3 RMSD = 1.37 A TRANSFORM -0.0868 -0.5921 0.8012 -0.9076 0.3786 0.1814 0.4107 0.7114 0.5702 39.964 14.292 29.932 412 GLU A 82 GLU.? 516 HIS A 88 HIS.? 559 HIS B 61 HIS.? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 5 3 RMSD = 1.38 A TRANSFORM 0.6800 0.7011 -0.2148 0.6831 -0.4992 0.5330 -0.2665 0.5092 0.8184 14.425 27.029 48.902 D 107 ASP B 85 ASP~? D 246 ASP B 150 ASP~? D 275 HIS B 47 HIS~? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 1 3 RMSD = 1.38 A TRANSFORM -0.0970 0.3676 -0.9249 0.2778 0.9024 0.3295 -0.9557 0.2250 0.1896 31.327 14.076 106.565 B 223 HIS A 47 HIS~? B 262 HIS A 87 HIS.? B 312 ASP A 85 ASP.? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 3 3 RMSD = 1.38 A TRANSFORM -0.1761 0.9803 -0.0896 0.7988 0.0891 -0.5949 0.5752 0.1764 0.7988 -7.282 11.485 7.741 54 ASP A 81 ASP.? 158 THR A 72 THR~? 317 ASP A 53 ASP~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 3 3 RMSD = 1.38 A TRANSFORM 0.3498 0.8342 0.4263 0.3723 -0.5414 0.7538 -0.8596 0.1050 0.5000 15.336 39.146 68.396 A 325 ASP A 85 ASP.? A 354 GLU A 51 GLU~? A 421 ASP A 53 ASP~? ULMNm 3 2bsq_d00 TRANSCRIPTION user 2 3 RMSD = 1.40 A TRANSFORM -0.5883 -0.3345 0.7362 0.4481 0.6230 0.6411 0.6732 -0.7070 0.2166 12.268 -46.890 20.204 E 3 SER A 156 SER~? E 5 VAL A 160 VAL~? E 7 ARG A 163 ARG~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 3 3 RMSD = 1.40 A TRANSFORM 0.3818 -0.9025 -0.1995 0.3855 -0.0407 0.9218 0.8400 0.4288 -0.3324 -13.578 -4.860 -55.239 B 8 HIS B 61 HIS.? B 80 GLU A 82 GLU.? B 223 ARG A 163 ARG~? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 4 3 RMSD = 1.40 A TRANSFORM -0.5572 0.4524 0.6964 -0.7969 -0.5269 -0.2954 -0.2333 0.7196 -0.6541 25.319 54.701 67.881 A 223 HIS A 87 HIS.? A 262 HIS B 61 HIS.? A 312 ASP A 85 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 15 3 RMSD = 1.40 A TRANSFORM 0.9299 -0.3607 0.0719 -0.1956 -0.3193 0.9273 0.3115 0.8763 0.3675 58.349 19.643 -15.818 A 229 ALA B 109 ALA~? A 257 ALA B 113 ALA~? A 328 ASP B 12 ASP~? ULMNm 3 2bsq_d00 TRANSCRIPTION user 3 3 RMSD = 1.41 A TRANSFORM 0.3252 -0.5730 0.7523 0.8918 0.4504 -0.0425 0.3145 -0.6847 -0.6574 -13.755 -56.736 34.549 E 3 SER A 156 SER~? E 5 VAL A 160 VAL~? E 7 ARG A 164 ARG~? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 3 3 RMSD = 1.41 A TRANSFORM 0.0610 -0.5619 0.8249 0.6538 -0.6020 -0.4584 -0.7542 -0.5673 -0.3307 11.969 0.223 20.821 274 HIS A 87 HIS.? 320 HIS B 61 HIS.? 375 ASP A 85 ASP.? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 4 3 RMSD = 1.42 A TRANSFORM 0.5805 -0.2836 0.7633 0.6652 0.7058 -0.2436 0.4697 -0.6492 -0.5983 108.641 25.024 34.662 A 311 HIS B 61 HIS.? A 341 GLU A 82 GLU.? A 356 HIS A 88 HIS.? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 5 3 RMSD = 1.43 A TRANSFORM 0.2101 -0.5521 0.8069 -0.2528 -0.8279 -0.5006 -0.9444 0.0988 0.3135 79.074 69.178 133.083 A 50 ASP A 151 ASP~? A 327 GLU B 16 GLU~? A 339 ARG B 13 ARG~? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 15 3 RMSD = 1.43 A TRANSFORM 0.0261 -0.5117 -0.8588 0.1848 -0.8418 0.5072 0.9824 0.1720 -0.0726 47.071 51.221 78.914 A 241 ASP B 151 ASP~? A 279 GLU B 9 GLU~? A 369 ASP B 85 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.43 A TRANSFORM -0.9349 -0.3453 0.0825 0.0314 -0.3118 -0.9496 -0.3536 0.8852 -0.3024 67.963 39.859 24.468 A 229 ALA A 109 ALA~? A 257 ALA A 113 ALA~? A 328 ASP A 12 ASP~? ULMNm 3 2bsq_d00 TRANSCRIPTION user 5 3 RMSD = 1.43 A TRANSFORM 0.7286 -0.3183 -0.6065 -0.3212 0.6233 -0.7130 -0.6050 -0.7143 -0.3520 29.392 -32.689 61.881 E 3 SER B 156 SER~? E 5 VAL B 160 VAL~? E 7 ARG B 163 ARG~? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 5 3 RMSD = 1.44 A TRANSFORM -0.1623 0.4059 0.8994 -0.6130 0.6728 -0.4142 0.7733 0.6185 -0.1396 4.189 40.957 59.952 B 107 ASP B 85 ASP~? B 246 ASP B 150 ASP~? B 275 HIS B 47 HIS~? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 3 3 RMSD = 1.44 A TRANSFORM 0.2641 -0.0484 -0.9633 0.6210 -0.7556 0.2082 0.7380 0.6532 0.1695 30.947 25.718 -2.136 A 16 TYR B 118 TYR~? A 40 ASP B 129 ASP.? A 103 LEU B 59 LEU~? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.45 A TRANSFORM 0.6560 -0.4856 -0.5778 0.2591 -0.5742 0.7766 0.7089 0.6592 0.2509 18.821 3.815 56.852 D 107 ASP A 12 ASP~? D 246 ASP A 106 ASP~? D 275 HIS A 15 HIS~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 4 3 RMSD = 1.45 A TRANSFORM 0.0764 0.4034 0.9118 0.6768 0.6505 -0.3445 0.7322 -0.6435 0.2233 56.344 28.555 -25.344 B 311 HIS B 61 HIS.? B 341 GLU A 82 GLU.? B 356 HIS A 88 HIS.? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 3 3 RMSD = 1.45 A TRANSFORM 0.9226 0.3566 -0.1470 0.0888 -0.5674 -0.8187 0.3753 -0.7423 0.5551 8.211 42.912 92.283 B 223 HIS A 87 HIS.? B 262 HIS A 47 HIS~? B 312 ASP A 85 ASP.? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 3 3 RMSD = 1.45 A TRANSFORM 0.1384 -0.1906 -0.9719 -0.6246 0.7448 -0.2350 -0.7686 -0.6395 0.0160 35.420 11.295 46.386 B 16 TYR B 118 TYR~? B 40 ASP B 129 ASP.? B 103 LEU B 59 LEU~? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 7 3 RMSD = 1.45 A TRANSFORM -0.5781 0.4484 0.6817 -0.7707 -0.5744 -0.2757 -0.2679 0.6848 -0.6777 -49.268 108.789 91.036 D 137 ARG B 17 ARG~? D 141 THR B 21 THR~? D 235 ASP B 150 ASP~? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 2 3 RMSD = 1.45 A TRANSFORM 0.0744 -0.8218 0.5649 -0.9879 0.0166 0.1543 0.1362 0.5695 0.8106 17.227 8.347 -14.248 274 HIS A 87 HIS.? 320 HIS A 47 HIS~? 375 ASP A 85 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.46 A TRANSFORM 0.6346 0.7728 -0.0004 -0.7648 0.6279 -0.1440 0.1110 -0.0917 -0.9896 24.073 51.425 21.957 A 229 ALA A 113 ALA~? A 257 ALA A 110 ALA~? A 328 ASP A 53 ASP~? ULMNm 3 2bsq_d00 TRANSCRIPTION user 6 3 RMSD = 1.46 A TRANSFORM -0.1956 -0.5860 -0.7864 -0.8921 0.4394 -0.1055 -0.4074 -0.6809 0.6086 32.012 -49.006 38.941 E 3 SER B 156 SER~? E 5 VAL B 160 VAL~? E 7 ARG B 164 ARG~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 11 3 RMSD = 1.46 A TRANSFORM -0.7266 -0.6575 -0.1994 0.4017 -0.1710 -0.8997 -0.5574 0.7338 -0.3884 -58.089 37.670 22.362 F 49 ASP B 151 ASP~? F 86 HIS B 47 HIS~? F 250 ALA B 49 ALA~? ULMNm 3 1ddj_c12 PLASMINOGEN user 2 3 RMSD = 1.46 A TRANSFORM -0.9248 -0.2363 -0.2982 0.3198 -0.0579 -0.9457 -0.2062 0.9700 -0.1291 16.586 82.407 -30.769 A 603 HIS B 15 HIS~? A 646 ASP B 12 ASP~? A 739 GLY B 157 GLY~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 16 3 RMSD = 1.46 A TRANSFORM 0.2925 0.5473 -0.7842 0.0296 -0.8248 -0.5646 0.9558 -0.1419 0.2574 40.648 120.480 41.639 229 ASP B 85 ASP~? 264 GLU B 73 GLU~? 328 ASP B 53 ASP~? ULMNm 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 4 3 RMSD = 1.47 A TRANSFORM 0.9041 -0.1861 -0.3846 0.3792 0.7645 0.5214 -0.1970 0.6172 -0.7617 43.530 -14.065 13.223 A 137 GLU B 51 GLU~? A 288 HIS A 88 HIS.? A 329 LYS A 39 LYS.? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 3 3 RMSD = 1.47 A TRANSFORM 0.9556 -0.2918 -0.0416 0.2061 0.5605 0.8021 0.2107 0.7750 -0.5957 21.454 19.159 61.016 A 223 HIS A 87 HIS.? A 262 HIS A 47 HIS~? A 312 ASP A 85 ASP.? ULMNm 3 1ddj_c14 PLASMINOGEN user 2 3 RMSD = 1.47 A TRANSFORM -0.9466 -0.2086 -0.2458 0.2734 -0.1150 -0.9550 -0.1709 0.9712 -0.1659 11.986 82.635 33.569 C 603 HIS B 15 HIS~? C 646 ASP B 12 ASP~? C 739 GLY B 157 GLY~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.47 A TRANSFORM 0.9628 -0.2376 0.1284 -0.1490 -0.0706 0.9863 0.2252 0.9688 0.1034 -15.944 53.931 -13.601 A 603 HIS A 15 HIS~? A 646 ASP A 12 ASP~? A 739 GLY A 157 GLY~? ULMNm 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 3 3 RMSD = 1.47 A TRANSFORM 0.8679 -0.4446 -0.2214 0.3452 0.8605 -0.3747 -0.3571 -0.2487 -0.9003 42.839 -0.757 25.586 A 271 GLN B 126 GLN~? A 296 GLU A 82 GLU.? A 383 TYR B 118 TYR~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 7 3 RMSD = 1.47 A TRANSFORM 0.5133 -0.5841 0.6288 -0.4861 0.4059 0.7739 0.7073 0.7029 0.0756 34.399 84.444 25.406 229 ASP A 151 ASP~? 257 GLU A 51 GLU~? 328 ASP A 85 ASP.? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.48 A TRANSFORM -0.6517 -0.5861 -0.4814 -0.2841 0.7771 -0.5615 -0.7033 0.2291 0.6730 -1.756 49.379 58.655 D 603 HIS A 15 HIS~? D 646 ASP A 12 ASP~? D 739 GLY A 157 GLY~? ULMNm 3 2odj_o00 PORIN D user 11 3 RMSD = 1.48 A TRANSFORM -0.7126 0.2619 0.6508 0.5876 0.7296 0.3498 0.3832 -0.6317 0.6738 4.080 -2.855 20.777 A 156 HIS B 61 HIS.? A 208 ASP B 132 ASP^? A 296 SER A 68 SER~? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.48 A TRANSFORM 0.4561 0.4447 -0.7708 0.8061 -0.5735 0.1461 0.3771 0.6880 0.6201 -24.379 70.947 81.002 D 137 ARG A 17 ARG~? D 141 THR A 21 THR~? D 235 ASP A 150 ASP~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.48 A TRANSFORM 0.9751 -0.2091 0.0733 -0.1016 -0.1279 0.9866 0.1969 0.9695 0.1460 -18.400 51.545 50.117 C 603 HIS A 15 HIS~? C 646 ASP A 12 ASP~? C 739 GLY A 157 GLY~? ULMNm 3 1ddj_c13 PLASMINOGEN user 2 3 RMSD = 1.48 A TRANSFORM 0.3859 -0.5356 0.7511 0.2235 0.8442 0.4871 0.8950 0.0201 -0.4455 -21.386 8.962 -1.490 B 603 HIS B 15 HIS~? B 646 ASP B 12 ASP~? B 739 GLY B 157 GLY~? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 10 3 RMSD = 1.49 A TRANSFORM 0.2654 0.5521 0.7904 0.7237 0.4276 -0.5417 0.6371 -0.7158 0.2860 -72.759 27.299 34.172 E 49 ASP B 151 ASP~? E 86 HIS B 47 HIS~? E 250 ALA B 49 ALA~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 2 3 RMSD = 1.49 A TRANSFORM -0.7124 0.6961 0.0888 -0.6290 -0.6895 0.3591 -0.3112 -0.2000 -0.9290 41.140 77.938 49.340 A 228 ASP A 53 ASP~? A 261 ASP A 132 ASP^? A 329 ASP A 85 ASP.? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 RMSD = 1.49 A TRANSFORM 0.0399 -0.5956 0.8023 -0.9625 0.1928 0.1911 0.2685 0.7798 0.5656 -2.456 106.558 30.879 A 137 ARG A 144 ARG~? A 141 THR A 140 THR^? A 235 ASP A 53 ASP~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 10 3 RMSD = 1.49 A TRANSFORM -0.5023 0.7340 0.4571 0.6628 -0.0127 0.7487 -0.5554 -0.6791 0.4801 32.961 51.450 37.326 A 228 ASP A 151 ASP~? A 261 ASP A 63 ASP.? A 329 ASP A 85 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 19 3 RMSD = 1.49 A TRANSFORM -0.6093 0.7841 -0.1186 0.7416 0.6163 0.2650 -0.2808 -0.0735 0.9569 18.486 13.498 -4.048 A 229 ALA B 113 ALA~? A 257 ALA B 110 ALA~? A 328 ASP B 53 ASP~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.49 A TRANSFORM 0.1011 0.8750 -0.4734 -0.8398 0.3302 0.4310 -0.5335 -0.3540 -0.7682 -2.025 12.417 182.541 C 70 ALA A 23 ALA~? C 126 LEU A 22 LEU~? C 158 GLU A 19 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.49 A TRANSFORM 0.6288 -0.7532 -0.1933 0.4954 0.5797 -0.6470 -0.5993 -0.3110 -0.7376 -14.974 18.194 182.841 A 70 ALA A 23 ALA~? A 126 LEU A 22 LEU~? A 158 GLU A 19 GLU~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.50 A TRANSFORM -0.5113 -0.5273 -0.6786 -0.3058 0.8496 -0.4298 -0.8031 0.0123 0.5957 -2.728 51.565 -0.692 B 603 HIS A 15 HIS~? B 646 ASP A 12 ASP~? B 739 GLY A 157 GLY~? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.50 A TRANSFORM -0.4027 0.9053 0.1350 -0.4721 -0.0791 -0.8780 0.7842 0.4173 -0.4592 24.294 37.217 28.447 A 156 HIS A 61 HIS.? A 208 ASP A 132 ASP^? A 296 SER A 8 SER~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.50 A TRANSFORM -0.6570 -0.7495 0.0809 -0.6003 0.5851 0.5452 0.4560 -0.3097 0.8344 12.992 -5.415 154.170 A 70 ALA B 23 ALA~? A 126 LEU B 22 LEU~? A 158 GLU B 19 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.50 A TRANSFORM -0.1801 0.8777 0.4441 0.9054 0.3244 -0.2738 0.3844 -0.3527 0.8531 -36.980 -2.131 155.550 C 70 ALA B 23 ALA~? C 126 LEU B 22 LEU~? C 158 GLU B 19 GLU~?