*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 2 3 RMSD = 0.50 A TRANSFORM 0.9273 0.3350 0.1674 0.3261 -0.5027 -0.8006 -0.1840 0.7969 -0.5754 2.396 96.974 12.813 A 459 ASN A 40 ASN.? A 460 GLY A 41 GLY.? A 461 ASN A 38 ASN.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 4 3 RMSD = 0.53 A TRANSFORM -0.9126 -0.3614 0.1913 -0.3140 0.3196 -0.8940 0.2619 -0.8759 -0.4052 86.498 114.128 14.242 A 459 ASN B 40 ASN.? A 460 GLY B 41 GLY.? A 461 ASN B 38 ASN.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 1 3 RMSD = 0.71 A TRANSFORM -0.5575 -0.5622 0.6108 -0.6782 0.7328 0.0553 -0.4787 -0.3834 -0.7898 22.803 103.175 20.999 A 459 ASN A 38 ASN.? A 460 GLY A 41 GLY.? A 461 ASN A 40 ASN.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 3 3 RMSD = 0.73 A TRANSFORM 0.4876 0.7037 0.5169 0.7189 -0.6595 0.2197 0.4955 0.2644 -0.8274 -35.433 61.714 -26.571 A 459 ASN B 38 ASN.? A 460 GLY B 41 GLY.? A 461 ASN B 40 ASN.? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 6 3 RMSD = 0.91 A TRANSFORM -0.8945 0.3683 0.2535 -0.0353 -0.6233 0.7812 0.4457 0.6898 0.5705 30.834 60.691 69.915 A 270 ASN A 186 ASN.? A 384 ASN A 93 ASN.? A 385 GLU A 69 GLU^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.01 A TRANSFORM 0.7094 0.6995 0.0859 0.0977 0.0232 -0.9949 -0.6980 0.7142 -0.0519 13.478 94.365 34.075 A 228 ASP A 48 ASP^? A 261 ASP A 155 ASP~? A 329 ASP A 180 ASP~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 12 3 RMSD = 1.02 A TRANSFORM 0.8449 -0.3175 0.4305 -0.0177 0.7878 0.6157 -0.5346 -0.5279 0.6600 -32.099 42.629 126.595 A 270 ASN B 186 ASN^? A 384 ASN B 93 ASN^? A 385 GLU B 69 GLU^? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 1 3 RMSD = 1.03 A TRANSFORM -0.0599 -0.7836 -0.6183 -0.8156 -0.3188 0.4829 -0.5755 0.5332 -0.6200 3.968 37.639 12.237 A 14 GLU A 8 GLU.? A 61 GLU A 36 GLU^? A 162 HIS A 43 HIS.? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 4 3 RMSD = 1.04 A TRANSFORM -0.7058 -0.6796 0.2000 -0.0290 -0.2544 -0.9667 0.7078 -0.6881 0.1599 88.056 103.532 -6.583 A 228 ASP B 48 ASP^? A 261 ASP B 155 ASP~? A 329 ASP B 180 ASP~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 2 3 RMSD = 1.07 A TRANSFORM 0.1504 0.6324 -0.7599 0.7731 0.4038 0.4891 0.6162 -0.6610 -0.4282 -23.072 -36.654 -21.664 A 14 GLU B 8 GLU.? A 61 GLU B 36 GLU^? A 162 HIS B 43 HIS.? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 6 3 RMSD = 1.07 A TRANSFORM 0.3934 0.2415 0.8871 0.4219 0.8098 -0.4076 -0.8168 0.5346 0.2167 -20.687 40.551 76.968 A 228 ASP B 155 ASP~? A 261 ASP B 48 ASP^? A 329 ASP B 175 ASP~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 13 3 RMSD = 1.12 A TRANSFORM 0.4291 -0.6398 -0.6375 -0.3957 0.5013 -0.7695 0.8120 0.5825 -0.0380 -0.637 44.406 -63.426 A 49 ASP B 78 ASP.? A 147 THR B 140 THR^? A 294 ASP B 64 ASP^? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 6 3 RMSD = 1.15 A TRANSFORM -0.3458 0.4542 -0.8210 0.4730 -0.6713 -0.5706 -0.8104 -0.5857 0.0173 18.541 23.361 18.181 A 49 ASP A 78 ASP.? A 147 THR A 140 THR^? A 294 ASP A 64 ASP^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 7 3 RMSD = 1.17 A TRANSFORM -0.5455 0.0832 -0.8340 0.1301 0.9914 0.0138 0.8280 -0.1010 -0.5516 54.084 49.787 36.656 A 228 ASP A 175 ASP~? A 260 ASP A 146 ASP~? A 329 ASP A 155 ASP~? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 2 3 RMSD = 1.19 A TRANSFORM 0.1102 -0.9087 0.4027 -0.9265 -0.2406 -0.2894 0.3598 -0.3412 -0.8684 53.082 110.086 53.696 10 ASN B 54 ASN.? 20 HIS B 53 HIS^? 93 ASP B 48 ASP^? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 RMSD = 1.19 A TRANSFORM -0.1026 0.9711 0.2156 0.9531 0.1580 -0.2583 -0.2848 0.1790 -0.9417 38.307 27.757 73.691 10 ASN A 54 ASN.? 20 HIS A 53 HIS^? 93 ASP A 48 ASP^? ULMNm 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 RMSD = 1.22 A TRANSFORM 0.4674 -0.8033 -0.3692 0.8718 0.3495 0.3431 -0.1465 -0.4823 0.8637 16.743 17.046 2.277 A 136 HIS A 53 HIS^? A 210 ASP A 48 ASP^? A 244 LYS A 176 LYS~? ULMNm 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 RMSD = 1.23 A TRANSFORM 0.4953 -0.8225 -0.2796 -0.8443 -0.3800 -0.3777 0.2044 0.4232 -0.8827 12.863 78.249 57.742 B 136 HIS A 53 HIS^? B 210 ASP A 48 ASP^? B 244 LYS A 176 LYS~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 3 3 RMSD = 1.25 A TRANSFORM -0.4234 -0.0215 0.9057 -0.4374 -0.8706 -0.2252 0.7933 -0.4915 0.3592 16.926 95.055 24.401 A 228 ASP A 155 ASP~? A 261 ASP A 48 ASP^? A 329 ASP A 175 ASP~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.26 A TRANSFORM -0.3934 0.0051 0.9194 0.9061 0.1717 0.3867 -0.1558 0.9851 -0.0722 36.244 17.420 -1.213 199 ASP A 155 ASP~? 242 GLU A 36 GLU^? 329 ASP A 175 ASP~? ULMNm 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 4 3 RMSD = 1.28 A TRANSFORM -0.4637 0.6941 -0.5506 -0.8810 -0.2952 0.3698 0.0942 0.6565 0.7484 36.666 96.145 -22.289 A 136 HIS B 53 HIS^? A 210 ASP B 48 ASP^? A 244 LYS B 176 LYS~? ULMNm 3 1sll_c00 SIALIDASE L user 5 3 RMSD = 1.28 A TRANSFORM -0.4773 -0.7867 0.3914 -0.5925 -0.0408 -0.8045 0.6489 -0.6159 -0.4466 25.458 59.327 8.768 318 ASP B 146 ASP~? 595 GLU B 65 GLU.? 713 TYR B 187 TYR^? ULMNm 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 4 3 RMSD = 1.29 A TRANSFORM -0.4964 0.7307 -0.4686 0.8547 0.3172 -0.4109 -0.1517 -0.6045 -0.7820 34.501 0.715 85.659 B 136 HIS B 53 HIS^? B 210 ASP B 48 ASP^? B 244 LYS B 176 LYS~? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 1 3 RMSD = 1.29 A TRANSFORM 0.9591 -0.2227 -0.1750 0.2485 0.3651 0.8972 -0.1359 -0.9039 0.4055 -1.938 -21.740 33.753 159 ARG A 147 ARG~? 229 SER A 144 SER.? 325 GLU A 182 GLU~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.30 A TRANSFORM 0.2959 0.9435 -0.1489 0.5089 -0.0238 0.8605 0.8084 -0.3304 -0.4872 -6.004 37.665 33.517 179 ASP A 48 ASP^? 214 ASP A 64 ASP^? 289 ASP A 180 ASP~? ULMNm 3 1zrz_c02 PROTEIN KINASE C, IOTA user 3 3 RMSD = 1.31 A TRANSFORM -0.4884 0.5590 0.6701 -0.2336 0.6561 -0.7176 -0.8408 -0.5070 -0.1899 -1.864 52.084 59.798 A 369 ASP B 78 ASP.? A 371 LYS A 104 LYS~? A 407 THR B 73 THR.? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 5 3 RMSD = 1.34 A TRANSFORM -0.6952 0.6406 -0.3260 -0.7027 -0.7013 0.1203 -0.1515 0.3127 0.9377 20.104 84.322 95.448 A 270 ASN A 156 ASN~? A 384 ASN A 93 ASN.? A 385 GLU A 69 GLU^? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 2 3 RMSD = 1.34 A TRANSFORM 0.9544 -0.2426 0.1740 0.1765 -0.0116 -0.9842 0.2407 0.9701 0.0318 104.298 79.064 -12.966 B 55 ASP A 148 ASP~? B 58 ASP A 146 ASP~? B 424 GLU A 182 GLU~? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.35 A TRANSFORM 0.7319 -0.5084 -0.4537 0.5069 0.8512 -0.1361 0.4554 -0.1303 0.8807 3.714 -20.370 -21.372 C 603 HIS A 53 HIS^? C 646 ASP A 112 ASP.? C 739 GLY A 82 GLY^? ULMNm 3 1zrz_c02 PROTEIN KINASE C, IOTA user 2 3 RMSD = 1.35 A TRANSFORM 0.4382 -0.4118 0.7990 0.2851 -0.7793 -0.5580 0.8524 0.4723 -0.2241 -27.672 49.182 -22.180 A 369 ASP A 78 ASP.? A 371 LYS B 104 LYS~? A 407 THR A 73 THR.? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.35 A TRANSFORM -0.2174 -0.0618 -0.9741 -0.4636 -0.8717 0.1587 -0.8590 0.4861 0.1609 -18.985 12.858 3.767 B 603 HIS A 53 HIS^? B 646 ASP A 112 ASP.? B 739 GLY A 82 GLY^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.35 A TRANSFORM 0.3177 -0.2234 -0.9215 0.5219 0.8526 -0.0268 0.7917 -0.4724 0.3874 -19.937 -7.594 59.425 B 34 SER A 195 SER.? B 37 ASN A 196 ASN.? B 45 THR A 140 THR^? ULMNm 3 2odj_o01 PORIN D user 4 3 RMSD = 1.36 A TRANSFORM -0.8592 -0.2906 -0.4210 -0.3533 0.9323 0.0776 0.3700 0.2154 -0.9037 28.270 -5.707 63.453 B 156 HIS A 94 HIS^? B 208 ASP B 134 ASP^? B 296 SER B 120 SER^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 18 3 RMSD = 1.36 A TRANSFORM -0.2763 -0.9605 0.0335 -0.5791 0.1942 0.7918 -0.7670 0.1993 -0.6099 41.148 79.650 91.875 179 ASP B 48 ASP^? 214 ASP B 64 ASP^? 289 ASP B 180 ASP~? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 5 3 RMSD = 1.36 A TRANSFORM -0.0865 -0.4071 0.9093 0.9689 0.1781 0.1718 -0.2319 0.8959 0.3790 45.660 -21.486 59.199 B 36 GLU B 65 GLU.? B 47 ASP B 146 ASP~? B 161 TYR B 187 TYR^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 5 3 RMSD = 1.36 A TRANSFORM -0.9825 -0.1687 -0.0793 0.0151 0.3523 -0.9357 0.1858 -0.9205 -0.3436 93.451 31.010 69.863 A 36 GLU B 65 GLU.? A 47 ASP B 146 ASP~? A 161 TYR B 187 TYR^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.37 A TRANSFORM -0.1233 -0.9650 -0.2313 0.9657 -0.0630 -0.2519 0.2285 -0.2544 0.9397 91.583 -1.067 7.551 199 ASP A 137 ASP.? 218 GLU A 22 GLU^? 329 ASP A 134 ASP^? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.37 A TRANSFORM 0.3005 -0.2402 -0.9231 0.4852 0.8717 -0.0689 0.8212 -0.4272 0.3785 -9.949 -46.790 -15.819 A 603 HIS B 53 HIS^? A 646 ASP B 112 ASP.? A 739 GLY B 82 GLY^? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 2 3 RMSD = 1.37 A TRANSFORM -0.1858 -0.0905 -0.9784 -0.9376 -0.2815 0.2041 -0.2939 0.9553 -0.0326 82.747 63.758 -3.982 A 55 ASP A 148 ASP~? A 58 ASP A 146 ASP~? A 424 GLU A 182 GLU~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 10 3 RMSD = 1.38 A TRANSFORM 0.7001 -0.7041 0.1187 0.0968 -0.0711 -0.9928 0.7075 0.7065 0.0184 19.660 84.588 -34.053 B 194 SER B 102 SER.? B 292 ASP A 64 ASP^? B 322 HIS B 53 HIS^? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.38 A TRANSFORM -0.0416 0.3413 0.9390 0.9032 0.4146 -0.1107 -0.4271 0.8436 -0.3255 -18.895 -44.551 16.362 92 ASP A 146 ASP~? 260 GLU A 65 GLU.? 370 TYR A 187 TYR^? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.38 A TRANSFORM 0.7491 -0.4640 -0.4728 0.4561 0.8789 -0.1398 0.4804 -0.1109 0.8700 -50.511 -19.248 16.517 D 603 HIS A 53 HIS^? D 646 ASP A 112 ASP.? D 739 GLY A 82 GLY^? ULMNm 3 1euu_c00 SIALIDASE user 5 3 RMSD = 1.38 A TRANSFORM -0.0971 -0.1408 0.9853 -0.8942 -0.4223 -0.1485 0.4370 -0.8954 -0.0849 -9.616 40.642 2.616 92 ASP B 146 ASP~? 260 GLU B 65 GLU.? 370 TYR B 187 TYR^? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.38 A TRANSFORM -0.2057 -0.0104 -0.9786 -0.5195 -0.8463 0.1182 -0.8293 0.5327 0.1687 8.214 14.777 40.985 A 603 HIS A 53 HIS^? A 646 ASP A 112 ASP.? A 739 GLY A 82 GLY^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 11 3 RMSD = 1.39 A TRANSFORM -0.9976 -0.0617 -0.0312 -0.0632 0.6310 0.7732 -0.0281 0.7734 -0.6333 119.692 63.236 52.379 229 ASP B 155 ASP~? 264 GLU B 183 GLU~? 328 ASP B 175 ASP~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 10 3 RMSD = 1.39 A TRANSFORM 0.8884 0.3928 -0.2376 0.3333 -0.1961 0.9222 0.3156 -0.8985 -0.3052 -15.767 6.605 56.096 A 194 SER B 102 SER.? A 292 ASP A 64 ASP^? A 322 HIS B 53 HIS^? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 5 3 RMSD = 1.39 A TRANSFORM 0.9560 -0.1120 0.2710 0.2928 0.4154 -0.8612 -0.0161 0.9027 0.4300 -40.590 4.183 8.279 54 ASP A 78 ASP.? 158 THR A 140 THR^? 317 ASP A 64 ASP^? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.40 A TRANSFORM -0.6887 0.7204 -0.0819 -0.0045 -0.1173 -0.9931 -0.7250 -0.6836 0.0840 59.049 89.720 42.881 B 194 SER A 102 SER.? B 292 ASP B 64 ASP^? B 322 HIS A 53 HIS^? ULMNm 3 2phk_c02 MC-PEPTIDE user 2 3 RMSD = 1.40 A TRANSFORM 0.3549 0.6632 -0.6589 0.0766 -0.7230 -0.6865 -0.9318 0.1932 -0.3074 26.380 44.928 81.578 A 149 ASP A 78 ASP.? A 151 LYS B 104 LYS~? A 186 THR A 73 THR.? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.41 A TRANSFORM 0.7176 -0.5104 0.4738 -0.5637 -0.0261 0.8256 -0.4090 -0.8595 -0.3065 35.172 101.259 78.919 D 98 SER B 102 SER.? D 123 HIS B 114 HIS.? D 172 ASP B 112 ASP.? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 3 3 RMSD = 1.42 A TRANSFORM 0.9792 0.2029 -0.0096 0.1064 -0.5529 -0.8265 -0.1730 0.8082 -0.5629 7.463 39.430 62.869 A 36 GLU A 65 GLU.? A 47 ASP A 146 ASP~? A 161 TYR A 187 TYR^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.42 A TRANSFORM -0.8737 -0.4216 -0.2427 -0.4100 0.3698 0.8338 -0.2618 0.8280 -0.4959 67.618 29.864 58.211 A 194 SER A 102 SER.? A 292 ASP B 64 ASP^? A 322 HIS A 53 HIS^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.42 A TRANSFORM -0.8424 0.5385 -0.0194 -0.0309 -0.0841 -0.9960 -0.5380 -0.8384 0.0875 72.935 51.689 91.934 A 98 SER B 102 SER.? A 123 HIS B 114 HIS.? A 172 ASP B 112 ASP.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.42 A TRANSFORM -0.8424 0.5385 -0.0194 -0.0309 -0.0841 -0.9960 -0.5380 -0.8384 0.0875 72.935 51.689 91.934 A 98 SER B 102 SER.? A 123 HIS B 114 HIS.? A 172 ASP B 112 ASP.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 3 3 RMSD = 1.42 A TRANSFORM -0.0342 0.6043 0.7960 -0.9763 -0.1905 0.1027 0.2137 -0.7737 0.5965 29.949 63.719 61.814 B 36 GLU A 65 GLU.? B 47 ASP A 146 ASP~? B 161 TYR A 187 TYR^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM 0.0178 -0.3624 0.9318 0.8127 -0.5377 -0.2246 0.5824 0.7613 0.2850 16.237 19.150 33.398 A 241 ASP A 134 ASP^? A 265 GLU A 65 GLU.? A 369 ASP A 137 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 17 3 RMSD = 1.43 A TRANSFORM -0.6805 0.4992 -0.5363 -0.3283 0.4466 0.8323 0.6550 0.7425 -0.1400 68.129 77.334 6.834 A 228 ASP B 137 ASP.? A 260 ASP B 78 ASP.? A 329 ASP B 134 ASP^? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.43 A TRANSFORM 0.3004 -0.0605 -0.9519 0.6314 -0.7354 0.2460 -0.7149 -0.6749 -0.1827 21.702 55.094 90.442 F 98 SER B 102 SER.? F 123 HIS B 114 HIS.? F 172 ASP B 112 ASP.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.43 A TRANSFORM -0.5203 0.8478 0.1021 -0.7829 -0.5213 0.3395 0.3411 0.0967 0.9350 59.189 41.742 -14.719 199 ASP A 112 ASP.? 218 GLU A 65 GLU.? 329 ASP A 48 ASP^? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.43 A TRANSFORM -0.0920 -0.1186 0.9887 -0.9416 0.3334 -0.0476 -0.3240 -0.9353 -0.1424 157.210 70.362 130.229 N 98 SER B 102 SER.? N 123 HIS B 114 HIS.? N 172 ASP B 112 ASP.? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.44 A TRANSFORM -0.4306 0.3948 -0.8117 0.5529 -0.5954 -0.5829 -0.7134 -0.6997 0.0381 46.778 43.126 94.087 G 98 SER B 102 SER.? G 123 HIS B 114 HIS.? G 172 ASP B 112 ASP.? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.44 A TRANSFORM -0.5970 0.3017 0.7434 -0.6992 0.2587 -0.6665 -0.3934 -0.9176 0.0565 79.676 78.792 85.442 B 98 SER B 102 SER.? B 123 HIS B 114 HIS.? B 172 ASP B 112 ASP.? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.44 A TRANSFORM 0.0837 -0.1785 0.9804 -0.9464 0.2937 0.1343 -0.3119 -0.9391 -0.1444 63.506 101.346 79.375 C 98 SER B 102 SER.? C 123 HIS B 114 HIS.? C 172 ASP B 112 ASP.? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.44 A TRANSFORM 0.8236 -0.5218 -0.2224 -0.0211 -0.4200 0.9073 -0.5668 -0.7425 -0.3569 106.978 60.111 133.211 I 98 SER B 102 SER.? I 123 HIS B 114 HIS.? I 172 ASP B 112 ASP.? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.44 A TRANSFORM 0.6096 -0.4948 0.6193 -0.6870 0.0599 0.7241 -0.3955 -0.8669 -0.3034 128.598 76.132 128.708 H 98 SER B 102 SER.? H 123 HIS B 114 HIS.? H 172 ASP B 112 ASP.? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.45 A TRANSFORM 0.8171 -0.4553 -0.3537 0.1032 -0.4881 0.8667 -0.5672 -0.7446 -0.3519 15.743 82.593 83.285 E 98 SER B 102 SER.? E 123 HIS B 114 HIS.? E 172 ASP B 112 ASP.? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.45 A TRANSFORM -0.7131 0.3357 0.6155 -0.5851 0.1988 -0.7862 -0.3863 -0.9208 0.0546 169.081 45.874 135.644 M 98 SER B 102 SER.? M 123 HIS B 114 HIS.? M 172 ASP B 112 ASP.? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.45 A TRANSFORM 0.4326 -0.1655 -0.8863 0.5713 -0.7101 0.4115 -0.6975 -0.6843 -0.2126 105.911 32.088 139.885 J 98 SER B 102 SER.? J 123 HIS B 114 HIS.? J 172 ASP B 112 ASP.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 8 3 RMSD = 1.46 A TRANSFORM -0.5200 0.5623 -0.6430 -0.0920 -0.7852 -0.6123 -0.8492 -0.2592 0.4600 60.441 63.124 94.043 A 194 SER B 86 SER^? A 292 ASP B 49 ASP.? A 322 HIS B 94 HIS^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 3 3 RMSD = 1.46 A TRANSFORM -0.0693 -0.1180 -0.9906 -0.7294 -0.6714 0.1310 -0.6806 0.7316 -0.0396 43.903 155.300 16.564 193 ASP A 137 ASP.? 231 ASP B 112 ASP.? 294 ASP A 134 ASP^? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.46 A TRANSFORM -0.3358 -0.3664 0.8677 0.4360 -0.8771 -0.2016 0.8349 0.3106 0.4543 25.610 12.567 -5.358 A 156 HIS A 94 HIS^? A 208 ASP B 134 ASP^? A 296 SER B 120 SER^? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.46 A TRANSFORM -0.8155 0.5352 -0.2202 0.1244 -0.2094 -0.9699 -0.5652 -0.8184 0.1042 156.205 20.525 142.513 L 98 SER B 102 SER.? L 123 HIS B 114 HIS.? L 172 ASP B 112 ASP.? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.46 A TRANSFORM -0.3163 0.2855 -0.9047 0.6312 -0.6486 -0.4254 -0.7082 -0.7056 0.0249 129.483 15.397 143.794 K 98 SER B 102 SER.? K 123 HIS B 114 HIS.? K 172 ASP B 112 ASP.? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 31 3 RMSD = 1.48 A TRANSFORM -0.2406 -0.2713 -0.9319 0.7085 -0.7054 0.0224 -0.6634 -0.6549 0.3620 48.482 23.124 76.856 179 ASP B 175 ASP~? 214 ASP B 64 ASP^? 289 ASP B 155 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.48 A TRANSFORM -0.8795 -0.3900 0.2726 -0.4631 0.5701 -0.6786 0.1093 -0.7231 -0.6820 101.748 58.156 63.877 A 98 SER B 45 SER.? A 123 HIS B 53 HIS^? A 172 ASP B 48 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.48 A TRANSFORM -0.8795 -0.3900 0.2726 -0.4631 0.5701 -0.6786 0.1093 -0.7231 -0.6820 101.748 58.156 63.877 A 98 SER B 45 SER.? A 123 HIS B 53 HIS^? A 172 ASP B 48 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM 0.8744 0.4120 0.2563 0.4844 -0.7111 -0.5095 -0.0276 0.5697 -0.8214 19.711 34.743 53.611 A 98 SER A 45 SER.? A 123 HIS A 53 HIS^? A 172 ASP A 48 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM 0.8744 0.4120 0.2563 0.4844 -0.7111 -0.5095 -0.0276 0.5697 -0.8214 19.711 34.743 53.611 A 98 SER A 45 SER.? A 123 HIS A 53 HIS^? A 172 ASP A 48 ASP^? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 8 3 RMSD = 1.48 A TRANSFORM -0.9007 -0.4168 -0.1221 -0.4143 0.7401 0.5297 -0.1304 0.5277 -0.8393 101.994 73.237 25.534 B 194 SER B 86 SER^? B 292 ASP B 49 ASP.? B 322 HIS B 94 HIS^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.49 A TRANSFORM 0.8105 -0.3150 -0.4939 0.5411 0.7254 0.4255 0.2242 -0.6121 0.7583 54.072 54.560 42.128 229 ASP A 155 ASP~? 264 GLU A 65 GLU.? 328 ASP A 148 ASP~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 8 3 RMSD = 1.49 A TRANSFORM -0.6410 0.7587 -0.1163 -0.2923 -0.1012 0.9510 0.7097 0.6436 0.2866 16.679 48.656 9.716 179 ASP A 112 ASP.? 214 ASP A 146 ASP~? 289 ASP A 48 ASP^? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 12 3 RMSD = 1.49 A TRANSFORM -0.9795 0.1574 0.1256 -0.1973 -0.6264 -0.7541 -0.0400 -0.7634 0.6446 36.369 36.587 30.122 54 ASP B 78 ASP.? 158 THR B 140 THR^? 317 ASP B 64 ASP^? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.50 A TRANSFORM -0.2164 -0.7707 0.5993 -0.9476 0.0180 -0.3191 0.2351 -0.6370 -0.7342 89.880 101.568 53.397 B 98 SER B 45 SER.? B 123 HIS B 53 HIS^? B 172 ASP B 48 ASP^? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.50 A TRANSFORM 0.2076 0.8710 0.4453 0.9662 -0.1113 -0.2327 -0.1532 0.4785 -0.8646 52.376 24.291 55.651 B 98 SER A 45 SER.? B 123 HIS A 53 HIS^? B 172 ASP A 48 ASP^? ULMNm 3 2phk_c02 MC-PEPTIDE user 4 3 RMSD = 1.50 A TRANSFORM -0.3017 -0.7926 -0.5299 -0.0126 0.5591 -0.8290 0.9533 -0.2435 -0.1787 71.459 32.215 9.417 A 149 ASP B 78 ASP.? A 151 LYS A 104 LYS~? A 186 THR B 73 THR.?