*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1di1_c01 ARISTOLOCHENE SYNTHASE user 2 4 RMSD = 1.36 A TRANSFORM 0.7880 0.3619 0.4981 -0.4936 0.8549 0.1598 -0.3680 -0.3718 0.8522 92.874 45.667 12.254 B 92 TYR B 31 TYR~? B 112 PHE B 55 PHE^? B 178 PHE B 51 PHE^? B 333 TRP B 26 TRP~? ULMNm 4 1di1_c00 ARISTOLOCHENE SYNTHASE user 2 4 RMSD = 1.37 A TRANSFORM -0.2512 -0.8751 -0.4136 0.8776 -0.3862 0.2841 -0.4083 -0.2916 0.8650 46.784 32.661 10.675 A 92 TYR B 31 TYR~? A 112 PHE B 55 PHE^? A 178 PHE B 51 PHE^? A 333 TRP B 26 TRP~? ULMNm 4 1di1_c01 ARISTOLOCHENE SYNTHASE user 1 4 RMSD = 1.40 A TRANSFORM -0.8423 0.3288 -0.4270 0.4599 0.8516 -0.2515 0.2810 -0.4083 -0.8685 112.179 25.122 44.381 B 92 TYR A 31 TYR~? B 112 PHE A 55 PHE^? B 178 PHE A 51 PHE^? B 333 TRP A 26 TRP~? ULMNm 4 1di1_c00 ARISTOLOCHENE SYNTHASE user 1 4 RMSD = 1.40 A TRANSFORM 0.3080 -0.8514 0.4246 -0.8965 -0.4091 -0.1699 0.3184 -0.3283 -0.8893 49.150 62.810 40.880 A 92 TYR A 31 TYR~? A 112 PHE A 55 PHE^? A 178 PHE A 51 PHE^? A 333 TRP A 26 TRP~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 RMSD = 0.89 A TRANSFORM -0.2155 0.7069 0.6737 -0.4453 0.5429 -0.7121 -0.8691 -0.4534 0.1978 45.932 -11.296 13.178 A 37 ASP A 76 ASP~? A 56 ILE A 71 ILE~? A 82 TYR A 85 TYR^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 0.91 A TRANSFORM -0.2120 0.7039 0.6779 -0.4208 0.5603 -0.7134 -0.8820 -0.4365 0.1774 48.844 -28.277 -14.720 B 37 ASP A 76 ASP~? B 56 ILE A 71 ILE~? B 82 TYR A 85 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 10 3 RMSD = 0.93 A TRANSFORM 0.2884 0.6564 -0.6971 0.3793 0.5902 0.7126 0.8792 -0.4699 -0.0788 80.707 -27.021 -6.363 A 37 ASP B 76 ASP~? A 56 ILE B 71 ILE~? A 82 TYR B 85 TYR^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 11 3 RMSD = 0.95 A TRANSFORM 0.2852 0.6532 -0.7015 0.3551 0.6078 0.7103 0.8903 -0.4517 -0.0586 83.733 -43.207 -34.677 B 37 ASP B 76 ASP~? B 56 ILE B 71 ILE~? B 82 TYR B 85 TYR^? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.96 A TRANSFORM 0.0435 -0.9814 0.1868 -0.2176 -0.1918 -0.9570 0.9751 0.0010 -0.2219 -1.388 83.686 43.557 F 98 SER B 58 SER.? F 123 HIS B 16 HIS~? F 172 ASP B 13 ASP~? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.96 A TRANSFORM 0.1363 0.9669 0.2157 0.6259 -0.2528 0.7378 0.7679 0.0345 -0.6396 84.444 25.574 59.032 B 98 SER B 58 SER.? B 123 HIS B 16 HIS~? B 172 ASP B 13 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.96 A TRANSFORM 0.4253 0.4213 0.8010 0.3386 -0.8948 0.2909 0.8393 0.1475 -0.5233 40.503 12.161 61.246 A 98 SER B 58 SER.? A 123 HIS B 16 HIS~? A 172 ASP B 13 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.96 A TRANSFORM 0.4253 0.4213 0.8010 0.3386 -0.8948 0.2909 0.8393 0.1475 -0.5233 40.503 12.161 61.246 A 98 SER B 58 SER.? A 123 HIS B 16 HIS~? A 172 ASP B 13 ASP~? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.97 A TRANSFORM -0.1349 0.8945 -0.4262 0.6190 0.4120 0.6686 0.7737 -0.1736 -0.6093 188.758 30.406 99.273 N 98 SER B 58 SER.? N 123 HIS B 16 HIS~? N 172 ASP B 13 ASP~? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.97 A TRANSFORM -0.0303 -0.9994 0.0187 -0.2259 -0.0114 -0.9741 0.9737 -0.0338 -0.2254 89.997 64.584 92.555 J 98 SER B 58 SER.? J 123 HIS B 16 HIS~? J 172 ASP B 13 ASP~? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.97 A TRANSFORM 0.2493 0.9068 0.3399 0.5947 -0.4204 0.6853 0.7643 0.0313 -0.6441 164.190 -7.454 109.470 M 98 SER B 58 SER.? M 123 HIS B 16 HIS~? M 172 ASP B 13 ASP~? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.98 A TRANSFORM -0.4214 0.2011 -0.8843 0.3365 0.9402 0.0534 0.8421 -0.2750 -0.4639 173.203 73.290 89.301 H 98 SER B 58 SER.? H 123 HIS B 16 HIS~? H 172 ASP B 13 ASP~? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.98 A TRANSFORM -0.4645 0.0168 -0.8854 0.2495 0.9618 -0.1126 0.8497 -0.2733 -0.4509 78.815 106.841 38.825 D 98 SER B 58 SER.? D 123 HIS B 16 HIS~? D 172 ASP B 13 ASP~? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.98 A TRANSFORM -0.3533 -0.6357 -0.6863 -0.0199 0.7386 -0.6739 0.9353 -0.2245 -0.2736 129.437 88.174 85.688 I 98 SER B 58 SER.? I 123 HIS B 16 HIS~? I 172 ASP B 13 ASP~? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.98 A TRANSFORM -0.0667 -0.9764 -0.2052 0.3382 -0.2156 0.9160 -0.9387 -0.0083 0.3447 28.710 53.368 48.890 F 98 SER A 58 SER.? F 123 HIS A 16 HIS~? F 172 ASP A 13 ASP~? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.98 A TRANSFORM -0.2469 0.8030 -0.5424 0.5932 0.5679 0.5707 0.7663 -0.1809 -0.6165 101.890 67.513 48.845 C 98 SER B 58 SER.? C 123 HIS B 16 HIS~? C 172 ASP B 13 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.98 A TRANSFORM -0.5240 0.4381 -0.7304 -0.3729 -0.8890 -0.2657 -0.7657 0.1332 0.6293 62.906 47.535 51.235 A 98 SER A 58 SER.? A 123 HIS A 16 HIS~? A 172 ASP A 13 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.98 A TRANSFORM -0.5240 0.4381 -0.7304 -0.3729 -0.8890 -0.2657 -0.7657 0.1332 0.6293 62.906 47.535 51.235 A 98 SER A 58 SER.? A 123 HIS A 16 HIS~? A 172 ASP A 13 ASP~? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.98 A TRANSFORM -0.1629 0.9715 -0.1723 -0.7150 -0.2365 -0.6579 -0.6799 0.0160 0.7331 70.523 64.457 46.877 B 98 SER A 58 SER.? B 123 HIS A 16 HIS~? B 172 ASP A 13 ASP~? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.98 A TRANSFORM 0.1880 0.8837 0.4287 -0.6997 0.4268 -0.5730 -0.6893 -0.1922 0.6985 151.515 51.117 93.146 N 98 SER A 58 SER.? N 123 HIS A 16 HIS~? N 172 ASP A 13 ASP~? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.99 A TRANSFORM 0.3781 -0.4612 0.8027 0.0035 -0.8664 -0.4994 0.9258 0.1916 -0.3260 1.809 38.749 55.281 G 98 SER B 58 SER.? G 123 HIS B 16 HIS~? G 172 ASP B 13 ASP~? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.99 A TRANSFORM 0.3630 -0.6155 0.6996 -0.0774 -0.7682 -0.6356 0.9286 0.1765 -0.3265 84.775 19.863 104.631 K 98 SER B 58 SER.? K 123 HIS B 16 HIS~? K 172 ASP B 13 ASP~? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.99 A TRANSFORM -0.2910 0.9141 -0.2825 -0.6773 -0.4053 -0.6140 -0.6757 0.0127 0.7371 157.333 33.236 97.192 M 98 SER A 58 SER.? M 123 HIS A 16 HIS~? M 172 ASP A 13 ASP~? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.99 A TRANSFORM 0.0280 -0.9984 -0.0487 0.3486 -0.0359 0.9366 -0.9368 -0.0432 0.3471 113.931 29.307 98.577 J 98 SER A 58 SER.? J 123 HIS A 16 HIS~? J 172 ASP A 13 ASP~? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.99 A TRANSFORM 0.4610 0.2454 0.8528 0.2678 -0.9547 0.1299 0.8460 0.1685 -0.5059 117.806 -12.764 111.400 L 98 SER B 58 SER.? L 123 HIS B 16 HIS~? L 172 ASP B 13 ASP~? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.99 A TRANSFORM 0.5310 0.1795 0.8281 -0.3408 0.9400 0.0148 -0.7758 -0.2901 0.5604 133.328 57.187 91.342 H 98 SER A 58 SER.? H 123 HIS A 16 HIS~? H 172 ASP A 13 ASP~? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 0.99 A TRANSFORM -0.3463 -0.7430 -0.5728 -0.0777 0.6311 -0.7718 0.9349 -0.2227 -0.2763 33.546 113.893 35.852 E 98 SER B 58 SER.? E 123 HIS B 16 HIS~? E 172 ASP B 13 ASP~? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.99 A TRANSFORM 0.4385 -0.6519 0.6186 0.1057 0.7209 0.6849 -0.8925 -0.2350 0.3850 116.922 47.851 94.115 I 98 SER A 58 SER.? I 123 HIS A 16 HIS~? I 172 ASP A 13 ASP~? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.00 A TRANSFORM 0.3139 0.7895 0.5274 -0.6616 0.5803 -0.4749 -0.6810 -0.1998 0.7045 61.463 80.910 42.551 C 98 SER A 58 SER.? C 123 HIS A 16 HIS~? C 172 ASP A 13 ASP~? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.00 A TRANSFORM 0.5741 -0.0058 0.8187 -0.2336 0.9573 0.1705 -0.7847 -0.2891 0.5482 42.714 83.520 41.364 D 98 SER A 58 SER.? D 123 HIS A 16 HIS~? D 172 ASP A 13 ASP~? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.01 A TRANSFORM -0.4493 -0.5983 -0.6635 0.1583 -0.7842 0.5999 -0.8792 0.1645 0.4471 127.535 15.808 101.693 K 98 SER A 58 SER.? K 123 HIS A 16 HIS~? K 172 ASP A 13 ASP~? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.01 A TRANSFORM -0.5664 0.2659 -0.7800 -0.2819 -0.9519 -0.1197 -0.7744 0.1521 0.6142 146.556 17.738 101.568 L 98 SER A 58 SER.? L 123 HIS A 16 HIS~? L 172 ASP A 13 ASP~? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.01 A TRANSFORM -0.4776 -0.4403 -0.7603 0.0610 -0.8799 0.4713 -0.8764 0.1788 0.4471 44.557 42.653 51.964 G 98 SER A 58 SER.? G 123 HIS A 16 HIS~? G 172 ASP A 13 ASP~? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.01 A TRANSFORM 0.4174 -0.7572 0.5024 0.1757 0.6096 0.7730 -0.8916 -0.2344 0.3875 27.483 72.085 44.149 E 98 SER A 58 SER.? E 123 HIS A 16 HIS~? E 172 ASP A 13 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.15 A TRANSFORM 0.6630 -0.4498 -0.5984 -0.7081 -0.1173 -0.6963 0.2430 0.8854 -0.3963 -1.411 38.045 -9.146 141 ASP A 13 ASP~? 166 GLY A 54 GLY^? 169 GLU A 37 GLU^? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 RMSD = 1.15 A TRANSFORM -0.6548 0.2193 0.7233 -0.6398 0.3487 -0.6849 -0.4024 -0.9112 -0.0880 -9.984 27.647 21.649 B 630 SER B 58 SER.? B 709 ASP B 84 ASP^? B 740 HIS B 61 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.18 A TRANSFORM -0.7196 -0.4407 0.5367 0.6338 -0.1011 0.7668 -0.2837 0.8919 0.3521 -19.678 1.889 3.750 141 ASP B 13 ASP~? 166 GLY B 54 GLY^? 169 GLU B 37 GLU^? ULMNm 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 1 3 RMSD = 1.19 A TRANSFORM -0.9146 -0.3452 0.2104 -0.2317 0.8741 0.4270 -0.3313 0.3418 -0.8794 24.959 -1.874 18.944 E 166 ASP A 77 ASP~? E 168 LYS A 105 LYS~? E 201 THR A 101 THR~? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 RMSD = 1.19 A TRANSFORM 0.9134 -0.3375 -0.2276 -0.1288 0.2906 -0.9481 0.3861 0.8953 0.2219 -2.262 29.205 19.207 A 630 SER B 58 SER.? A 709 ASP B 84 ASP^? A 740 HIS B 61 HIS^? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.20 A TRANSFORM 0.3862 -0.3603 0.8491 0.8570 -0.2003 -0.4748 0.3412 0.9111 0.2314 18.845 39.307 38.609 A 107 ASP B 47 ASP^? A 246 ASP A 84 ASP^? A 275 HIS B 48 HIS.? ULMNm 3 2c3x_p00 ALPHA-AMYLASE G-6 user 1 3 RMSD = 1.22 A TRANSFORM 0.9720 0.2116 -0.1019 -0.1070 0.0129 -0.9942 -0.2090 0.9773 0.0352 -14.425 71.892 46.467 A 26 HIS A 35 HIS^? A 76 ASN A 33 ASN.? A 81 ASP A 47 ASP^? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 3 3 RMSD = 1.22 A TRANSFORM 0.6182 -0.7538 -0.2229 -0.7121 -0.6571 0.2474 -0.3329 0.0058 -0.9429 -14.639 40.169 37.716 A 104 ILE B 11 ILE.? A 106 HIS B 16 HIS~? A 142 ASP B 13 ASP~? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 1 3 RMSD = 1.23 A TRANSFORM 0.0829 0.9673 0.2395 -0.2791 0.2533 -0.9262 -0.9567 0.0099 0.2910 67.356 53.273 155.952 28 GLU B 37 GLU^? 70 HIS B 35 HIS^? 281 HIS A 48 HIS.? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 1 3 RMSD = 1.24 A TRANSFORM -0.5505 -0.7535 0.3594 0.6920 -0.6527 -0.3084 0.4670 0.0789 0.8807 1.848 53.776 0.448 A 104 ILE A 11 ILE.? A 106 HIS A 16 HIS~? A 142 ASP A 13 ASP~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 5 3 RMSD = 1.25 A TRANSFORM -0.1535 0.4928 0.8565 0.0086 0.8674 -0.4975 -0.9881 -0.0690 -0.1374 47.894 -21.547 9.484 A 37 ASP A 77 ASP~? A 56 ILE A 71 ILE~? A 82 TYR A 85 TYR^? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.27 A TRANSFORM -0.4322 -0.2604 -0.8634 -0.0213 -0.9542 0.2985 -0.9015 0.1474 0.4068 41.305 28.714 -1.445 A 105 ALA A 115 ALA.? A 244 ASP A 47 ASP^? A 271 HIS A 48 HIS.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 5 3 RMSD = 1.28 A TRANSFORM -0.1512 0.4867 0.8604 0.0373 0.8726 -0.4870 -0.9878 -0.0415 -0.1501 50.870 -38.421 -18.738 B 37 ASP A 77 ASP~? B 56 ILE A 71 ILE~? B 82 TYR A 85 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 12 3 RMSD = 1.29 A TRANSFORM 0.2475 0.4421 -0.8621 -0.0562 0.8949 0.4428 0.9673 -0.0612 0.2463 83.839 -15.433 -12.937 A 37 ASP B 77 ASP~? A 56 ILE B 71 ILE~? A 82 TYR B 85 TYR^? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.29 A TRANSFORM 0.8467 0.5266 0.0755 0.3373 -0.6412 0.6892 0.4114 -0.5581 -0.7206 113.346 -6.024 92.498 L 98 SER B 118 SER.? L 123 HIS B 48 HIS.? L 172 ASP B 47 ASP^? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.29 A TRANSFORM 0.7197 -0.0875 0.6888 -0.3834 -0.8771 0.2892 0.5788 -0.4722 -0.6648 90.098 25.086 85.499 K 98 SER B 118 SER.? K 123 HIS B 48 HIS.? K 172 ASP B 47 ASP^? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.29 A TRANSFORM 0.3543 0.7046 -0.6149 0.8948 -0.0643 0.4419 0.2718 -0.7067 -0.6532 152.737 -8.070 92.444 M 98 SER B 118 SER.? M 123 HIS B 48 HIS.? M 172 ASP B 47 ASP^? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.30 A TRANSFORM 0.1883 0.7075 -0.6811 0.9422 0.0656 0.3286 0.2772 -0.7036 -0.6543 73.370 23.015 41.940 B 98 SER B 118 SER.? B 123 HIS B 48 HIS.? B 172 ASP B 47 ASP^? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.30 A TRANSFORM 0.0309 -0.6208 0.7834 -0.7303 -0.5491 -0.4063 0.6824 -0.5596 -0.4704 101.292 61.903 75.608 J 98 SER B 118 SER.? J 123 HIS B 48 HIS.? J 172 ASP B 47 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.31 A TRANSFORM 0.7799 0.6209 -0.0795 0.4856 -0.5200 0.7027 0.3950 -0.5866 -0.7070 34.474 18.098 42.573 A 98 SER B 118 SER.? A 123 HIS B 48 HIS.? A 172 ASP B 47 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.31 A TRANSFORM 0.7799 0.6209 -0.0795 0.4856 -0.5200 0.7027 0.3950 -0.5866 -0.7070 34.474 18.098 42.573 A 98 SER B 118 SER.? A 123 HIS B 48 HIS.? A 172 ASP B 47 ASP^? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.31 A TRANSFORM -0.8521 -0.2759 -0.4448 0.2653 0.5050 -0.8214 0.4512 -0.8178 -0.3571 172.021 58.154 75.475 H 98 SER B 118 SER.? H 123 HIS B 48 HIS.? H 172 ASP B 47 ASP^? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.31 A TRANSFORM 0.1854 -0.5282 0.8286 -0.7061 -0.6580 -0.2615 0.6834 -0.5366 -0.4950 9.618 82.902 26.244 F 98 SER B 118 SER.? F 123 HIS B 48 HIS.? F 172 ASP B 47 ASP^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.31 A TRANSFORM -0.3021 0.8396 0.4515 0.3178 0.5352 -0.7826 -0.8988 -0.0929 -0.4285 -19.515 4.277 11.626 14 ASP B 113 ASP~? 16 HIS B 73 HIS~? 67 GLY A 49 GLY.? ULMNm 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 4 3 RMSD = 1.31 A TRANSFORM 0.2060 -0.8175 0.5378 -0.7759 0.1985 0.5989 -0.5963 -0.5406 -0.5934 77.558 76.185 81.892 32 ASP B 116 ASP.? 64 HIS A 61 HIS^? 221 SER A 58 SER.? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.32 A TRANSFORM -0.6475 -0.7138 0.2669 -0.4259 0.0486 -0.9034 0.6319 -0.6986 -0.3355 137.425 76.119 71.092 I 98 SER B 118 SER.? I 123 HIS B 48 HIS.? I 172 ASP B 47 ASP^? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.32 A TRANSFORM -0.3905 0.3541 -0.8498 0.8675 0.4504 -0.2110 0.3080 -0.8196 -0.4830 178.565 20.402 84.520 N 98 SER B 118 SER.? N 123 HIS B 48 HIS.? N 172 ASP B 47 ASP^? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.32 A TRANSFORM -0.5444 0.2640 -0.7962 0.7840 0.4977 -0.3710 0.2984 -0.8262 -0.4779 93.726 55.621 34.237 C 98 SER B 118 SER.? C 123 HIS B 48 HIS.? C 172 ASP B 47 ASP^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 13 3 RMSD = 1.32 A TRANSFORM 0.2457 0.4359 -0.8658 -0.0835 0.8994 0.4291 0.9658 -0.0331 0.2573 86.822 -31.379 -40.874 B 37 ASP B 77 ASP~? B 56 ILE B 71 ILE~? B 82 TYR B 85 TYR^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.33 A TRANSFORM 0.9730 0.2170 0.0792 0.2191 -0.9755 -0.0197 0.0730 0.0365 -0.9967 -36.985 42.834 165.583 A 70 ALA A 9 ALA~? A 126 LEU A 8 LEU~? A 158 GLU A 21 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.33 A TRANSFORM -0.9404 0.2451 -0.2358 -0.2573 -0.9661 0.0222 -0.2224 0.0815 0.9715 -12.117 21.969 136.293 A 70 ALA B 9 ALA~? A 126 LEU B 8 LEU~? A 158 GLU B 21 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.34 A TRANSFORM -0.6661 0.7371 -0.1144 0.7344 0.6748 0.0720 0.1302 -0.0361 -0.9908 -25.064 -27.908 167.115 B 70 ALA A 9 ALA~? B 126 LEU A 8 LEU~? B 158 GLU A 21 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.34 A TRANSFORM 0.6690 0.7191 0.1879 -0.6880 0.6948 -0.2094 -0.2811 0.0108 0.9596 -22.131 3.865 137.214 B 70 ALA B 9 ALA~? B 126 LEU B 8 LEU~? B 158 GLU B 21 GLU~? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.34 A TRANSFORM -0.5739 -0.7128 0.4031 -0.5231 -0.0596 -0.8502 0.6300 -0.6988 -0.3387 43.340 103.271 21.230 E 98 SER B 118 SER.? E 123 HIS B 48 HIS.? E 172 ASP B 47 ASP^? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.34 A TRANSFORM 0.7824 0.0719 0.6186 -0.2366 -0.8845 0.4021 0.5760 -0.4610 -0.6751 5.929 44.626 36.038 G 98 SER B 118 SER.? G 123 HIS B 48 HIS.? G 172 ASP B 47 ASP^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.34 A TRANSFORM 0.2355 -0.9595 0.1546 0.9186 0.2717 0.2871 -0.3175 0.0744 0.9453 -1.182 3.968 136.331 C 70 ALA B 9 ALA~? C 126 LEU B 8 LEU~? C 158 GLU B 21 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.35 A TRANSFORM -0.2874 -0.9548 -0.0761 -0.9424 0.2961 -0.1557 0.1712 0.0270 -0.9849 29.803 18.048 163.765 C 70 ALA A 9 ALA~? C 126 LEU A 8 LEU~? C 158 GLU A 21 GLU~? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.35 A TRANSFORM -0.8798 -0.3762 -0.2906 0.1013 0.4489 -0.8878 0.4644 -0.8106 -0.3568 80.305 91.737 24.962 D 98 SER B 118 SER.? D 123 HIS B 48 HIS.? D 172 ASP B 47 ASP^? ULMNm 3 3o4g_o02 ACYLAMINO-ACID-RELEASING ENZYME user 2 3 RMSD = 1.36 A TRANSFORM 0.4501 0.4407 0.7766 -0.7775 -0.2343 0.5836 0.4392 -0.8665 0.2371 -58.275 14.054 50.657 C 445 SER A 58 SER.? C 524 ASP B 116 ASP.? C 556 HIS A 61 HIS^? ULMNm 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 2 3 RMSD = 1.36 A TRANSFORM 0.8951 -0.4365 -0.0912 0.0169 0.2376 -0.9712 0.4456 0.8678 0.2201 -4.208 19.402 -25.807 A 445 SER A 58 SER.? A 524 ASP B 116 ASP.? A 556 HIS A 61 HIS^? ULMNm 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 2 3 RMSD = 1.36 A TRANSFORM 0.8951 -0.4365 -0.0912 0.0169 0.2376 -0.9712 0.4456 0.8678 0.2201 -4.208 19.402 -25.807 A 445 SER A 58 SER.? A 524 ASP B 116 ASP.? A 556 HIS A 61 HIS^? ULMNm 3 1f8m_c03 ISOCITRATE LYASE user 1 3 RMSD = 1.37 A TRANSFORM 0.6788 0.5300 -0.5082 -0.1084 -0.6121 -0.7833 -0.7262 0.5868 -0.3581 1.537 98.752 81.186 D 180 HIS A 61 HIS^? D 191 CYH B 117 CYH.? D 228 ARG A 91 ARG^? ULMNm 3 3cla_c00 TYPE III CHLORAMPHENICOL ACETYLTRANSuser 1 3 RMSD = 1.37 A TRANSFORM 0.9708 0.0052 -0.2399 -0.0854 0.9417 -0.3254 0.2242 0.3364 0.9147 6.772 -2.549 2.557 18 ARG A 91 ARG^? 195 HIS B 48 HIS.? 199 ASP B 116 ASP.? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.38 A TRANSFORM -0.8580 0.5137 -0.0036 -0.3801 -0.6396 -0.6681 -0.3455 -0.5719 0.7440 115.188 35.928 88.525 L 98 SER A 118 SER.? L 123 HIS A 48 HIS.? L 172 ASP A 47 ASP^? ULMNm 3 2f9z_c01 PROTEIN (CHEMOTAXIS METHYLATION PROTuser 2 3 RMSD = 1.38 A TRANSFORM 0.9068 -0.3785 -0.1858 -0.0532 0.3346 -0.9409 0.4183 0.8630 0.2832 5.143 11.756 -52.637 D 21 THR A 86 THR.? D 27 CYH B 117 CYH.? D 44 HIS B 48 HIS.? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.38 A TRANSFORM -0.7706 -0.0894 -0.6310 0.3718 -0.8672 -0.3313 -0.5176 -0.4899 0.7015 124.199 49.781 83.693 K 98 SER A 118 SER.? K 123 HIS A 48 HIS.? K 172 ASP A 47 ASP^? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.38 A TRANSFORM -0.3144 0.6904 0.6515 -0.9260 -0.0719 -0.3706 -0.2090 -0.7198 0.6619 121.371 20.067 92.297 M 98 SER A 118 SER.? M 123 HIS A 48 HIS.? M 172 ASP A 47 ASP^? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.39 A TRANSFORM -0.1439 0.6953 0.7042 -0.9661 0.0555 -0.2521 -0.2144 -0.7166 0.6637 37.497 45.129 41.750 B 98 SER A 118 SER.? B 123 HIS A 48 HIS.? B 172 ASP A 47 ASP^? ULMNm 3 1f8m_c02 ISOCITRATE LYASE user 1 3 RMSD = 1.39 A TRANSFORM -0.7243 -0.3375 0.6012 0.4042 -0.9143 -0.0263 0.5586 0.2240 0.7986 16.351 66.520 17.393 C 180 HIS A 61 HIS^? C 191 CYH B 117 CYH.? C 228 ARG A 91 ARG^? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 RMSD = 1.39 A TRANSFORM 0.4222 -0.6926 0.5849 0.2989 0.7155 0.6314 -0.8558 -0.0918 0.5091 71.182 34.318 137.790 A 50 ASP A 13 ASP~? A 327 GLU B 22 GLU~? A 339 ARG B 19 ARG~? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.39 A TRANSFORM -0.0833 -0.6118 -0.7866 0.7680 -0.5424 0.3405 -0.6350 -0.5758 0.5150 141.440 51.741 83.500 J 98 SER A 118 SER.? J 123 HIS A 48 HIS.? J 172 ASP A 47 ASP^? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.40 A TRANSFORM 0.8886 -0.2692 0.3715 -0.2061 0.4891 0.8475 -0.4099 -0.8297 0.3791 152.504 23.722 89.919 H 98 SER A 118 SER.? H 123 HIS A 48 HIS.? H 172 ASP A 47 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.40 A TRANSFORM -0.0505 0.1523 0.9870 -0.6011 -0.7939 0.0917 0.7976 -0.5887 0.1316 -21.826 5.912 -1.737 141 ASP B 77 ASP~? 166 GLY B 54 GLY^? 169 GLU B 37 GLU^? ULMNm 3 1pp4_c02 RHAMNOGALACTURONAN ACETYLESTERASE user 2 3 RMSD = 1.40 A TRANSFORM -0.2946 0.6955 -0.6554 -0.8200 0.1682 0.5471 0.4908 0.6986 0.5207 19.021 24.938 31.106 A 74 ASN B 95 ASN.? A 192 ASP B 13 ASP~? A 195 HIS B 16 HIS~? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.40 A TRANSFORM -0.2429 -0.5199 -0.8190 0.7339 -0.6506 0.1953 -0.6343 -0.5536 0.5396 51.161 80.331 32.842 F 98 SER A 118 SER.? F 123 HIS A 48 HIS.? F 172 ASP A 47 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.40 A TRANSFORM -0.7789 0.6079 0.1542 -0.5341 -0.5140 -0.6712 -0.3288 -0.6051 0.7251 27.997 59.586 39.701 A 98 SER A 118 SER.? A 123 HIS A 48 HIS.? A 172 ASP A 47 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.40 A TRANSFORM -0.7789 0.6079 0.1542 -0.5341 -0.5140 -0.6712 -0.3288 -0.6051 0.7251 27.997 59.586 39.701 A 98 SER A 118 SER.? A 123 HIS A 48 HIS.? A 172 ASP A 47 ASP^? ULMNm 3 1f8m_c01 ISOCITRATE LYASE user 1 3 RMSD = 1.41 A TRANSFORM -0.3837 -0.5742 0.7232 -0.6154 0.7429 0.2633 -0.6885 -0.3440 -0.6385 7.173 61.207 101.538 B 180 HIS A 61 HIS^? B 191 CYH B 117 CYH.? B 228 ARG A 91 ARG^? ULMNm 3 1f8m_c00 ISOCITRATE LYASE user 1 3 RMSD = 1.41 A TRANSFORM 0.4263 0.3924 -0.8151 0.2977 0.7900 0.5360 0.8542 -0.4711 0.2199 19.415 28.446 37.308 A 180 HIS A 61 HIS^? A 191 CYH B 117 CYH.? A 228 ARG A 91 ARG^? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.41 A TRANSFORM 0.6024 0.2606 0.7545 -0.7588 0.4803 0.4399 -0.2478 -0.8375 0.4871 54.492 42.951 42.899 C 98 SER A 118 SER.? C 123 HIS A 48 HIS.? C 172 ASP A 47 ASP^? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.41 A TRANSFORM 0.6342 -0.7000 -0.3283 0.4957 0.0423 0.8675 -0.5934 -0.7128 0.3738 153.836 40.254 85.911 I 98 SER A 118 SER.? I 123 HIS A 48 HIS.? I 172 ASP A 47 ASP^? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.41 A TRANSFORM 0.4520 0.3475 0.8215 -0.8541 0.4341 0.2863 -0.2571 -0.8311 0.4931 137.638 15.116 92.999 N 98 SER A 118 SER.? N 123 HIS A 48 HIS.? N 172 ASP A 47 ASP^? ULMNm 3 2f9z_c00 PROTEIN (CHEMOTAXIS METHYLATION PROTuser 2 3 RMSD = 1.43 A TRANSFORM -0.4451 -0.0969 0.8902 -0.8210 0.4411 -0.3625 -0.3575 -0.8922 -0.2759 30.349 27.538 -1.172 C 21 THR A 86 THR.? C 27 CYH B 117 CYH.? C 44 HIS B 48 HIS.? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.43 A TRANSFORM -0.8300 0.0686 -0.5535 0.2163 -0.8751 -0.4329 -0.5141 -0.4790 0.7116 34.863 75.159 33.606 G 98 SER A 118 SER.? G 123 HIS A 48 HIS.? G 172 ASP A 47 ASP^? ULMNm 3 1rtf_c03 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 RMSD = 1.43 A TRANSFORM -0.4699 -0.7296 0.4970 -0.4321 0.6810 0.5912 -0.7698 0.0631 -0.6352 6.629 25.273 61.286 B 57 HIS A 61 HIS^? B 102 ASP B 116 ASP.? B 195 SER A 58 SER.? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.43 A TRANSFORM 0.5503 -0.6986 -0.4573 0.5896 -0.0627 0.8053 -0.5912 -0.7128 0.3774 65.080 70.283 35.905 E 98 SER A 118 SER.? E 123 HIS A 48 HIS.? E 172 ASP A 47 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.43 A TRANSFORM -0.0491 0.1089 -0.9928 0.6188 -0.7770 -0.1159 -0.7840 -0.6200 -0.0292 7.041 18.140 26.986 141 ASP A 77 ASP~? 166 GLY A 54 GLY^? 169 GLU A 37 GLU^? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.45 A TRANSFORM 0.9052 -0.3657 0.2164 -0.0380 0.4375 0.8984 -0.4232 -0.8215 0.3821 67.607 54.189 39.346 D 98 SER A 118 SER.? D 123 HIS A 48 HIS.? D 172 ASP A 47 ASP^? ULMNm 3 1a0j_c14 TRYPSIN user 2 3 RMSD = 1.45 A TRANSFORM -0.3514 -0.6806 0.6428 -0.0216 0.6923 0.7212 -0.9360 0.2395 -0.2580 6.797 36.207 68.841 C 57 HIS B 16 HIS~? C 102 ASP B 13 ASP~? C 193 GLY B 96 GLY.? ULMNm 3 1a0j_c12 TRYPSIN user 2 3 RMSD = 1.46 A TRANSFORM 0.8819 -0.4610 -0.0990 -0.2343 -0.2464 -0.9404 0.4091 0.8525 -0.3253 33.286 53.489 86.052 A 57 HIS B 16 HIS~? A 102 ASP B 13 ASP~? A 193 GLY B 96 GLY.? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.47 A TRANSFORM -0.6020 -0.7260 -0.3324 0.6856 -0.6834 0.2507 -0.4092 -0.0770 0.9092 -40.770 -18.330 -24.824 A 114 HIS A 61 HIS^? A 197 ASP A 84 ASP^? A 223 ALA B 115 ALA.? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.47 A TRANSFORM 0.5961 0.7250 0.3451 -0.6107 0.6884 -0.3913 -0.5212 0.0225 0.8531 -53.081 15.441 -21.991 B 114 HIS A 61 HIS^? B 197 ASP A 84 ASP^? B 223 ALA B 115 ALA.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 7 3 RMSD = 1.47 A TRANSFORM 0.6457 -0.5082 -0.5700 0.3700 -0.4448 0.8156 -0.6680 -0.7375 -0.0992 33.617 94.606 23.551 193 ASP B 47 ASP^? 231 ASP A 113 ASP~? 294 ASP B 116 ASP.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.47 A TRANSFORM 0.4354 -0.5509 0.7120 0.7568 -0.2043 -0.6209 0.4875 0.8092 0.3280 23.830 49.540 -62.648 D 465 GLY A 82 GLY~? D 501 ASP A 13 ASP~? E 367 TYR B 31 TYR~? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.48 A TRANSFORM 0.4353 0.1009 -0.8946 0.8153 0.3773 0.4392 0.3819 -0.9206 0.0820 5.038 -12.676 34.947 B 630 SER A 58 SER.? B 709 ASP A 84 ASP^? B 740 HIS A 61 HIS^? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.48 A TRANSFORM 0.9654 0.0222 -0.2597 0.1643 -0.8255 0.5400 -0.2024 -0.5640 -0.8006 -2.188 35.444 96.974 A 241 ASP B 116 ASP.? A 279 GLU A 6 GLU~? A 369 ASP A 84 ASP^? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 RMSD = 1.48 A TRANSFORM -0.8152 -0.5618 0.1406 -0.4033 0.3764 -0.8341 0.4157 -0.7366 -0.5334 -26.539 44.037 48.996 B 57 HIS B 16 HIS~? B 102 ASP B 13 ASP~? B 193 GLY B 96 GLY.? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 1 3 RMSD = 1.49 A TRANSFORM 0.1813 -0.8950 0.4075 -0.8952 -0.3217 -0.3084 0.4071 -0.3088 -0.8596 22.560 40.782 -16.932 B 60 HIS A 61 HIS^? B 84 ASP B 116 ASP.? B 140 GLY A 82 GLY~? ULMNm 3 1a0j_c00 TRYPSIN user 3 3 RMSD = 1.49 A TRANSFORM -0.1402 0.1442 -0.9796 -0.8864 0.4226 0.1891 0.4412 0.8948 0.0686 34.352 52.594 45.464 A 57 HIS A 61 HIS^? A 102 ASP B 116 ASP.? A 195 SER A 58 SER.? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.49 A TRANSFORM -0.8310 -0.1625 0.5320 0.4397 0.3940 0.8071 -0.3407 0.9046 -0.2560 5.842 -14.941 10.078 A 630 SER A 58 SER.? A 709 ASP A 84 ASP^? A 740 HIS A 61 HIS^? ULMNm 3 1a0j_c02 TRYPSIN user 2 3 RMSD = 1.50 A TRANSFORM -0.1044 -0.9911 -0.0821 0.9540 -0.1231 0.2732 -0.2809 -0.0498 0.9585 45.254 22.564 71.585 C 57 HIS A 61 HIS^? C 102 ASP B 116 ASP.? C 195 SER A 58 SER.? ULMNm 3 2phk_c02 MC-PEPTIDE user 2 3 RMSD = 1.50 A TRANSFORM 0.2736 0.9395 0.2063 0.9512 -0.2961 0.0868 0.1426 0.1725 -0.9746 14.924 12.368 39.835 A 149 ASP A 77 ASP~? A 151 LYS A 105 LYS~? A 186 THR A 101 THR~?