*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1qho_c07 ALPHA-AMYLASE user 22 3 RMSD = 0.96 A TRANSFORM 0.8166 -0.0110 -0.5771 -0.3642 -0.7855 -0.5004 0.4478 -0.6188 0.6454 29.616 129.315 -4.326 A 228 ASP D 37 ASP~? A 260 ASP E 37 ASP~? A 329 ASP C 35 ASP~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 16 3 RMSD = 1.04 A TRANSFORM -0.3674 -0.7378 -0.5664 -0.4987 0.6703 -0.5496 -0.7851 -0.0805 0.6141 91.659 109.169 36.546 A 228 ASP C 37 ASP~? A 260 ASP D 37 ASP~? A 329 ASP E 35 ASP~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 9 3 RMSD = 1.04 A TRANSFORM 0.7638 -0.3578 -0.5372 -0.6359 -0.5597 -0.5313 0.1106 -0.7475 0.6550 45.989 113.429 1.337 A 228 ASP B 37 ASP~? A 260 ASP A 37 ASP~? A 329 ASP F 35 ASP~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 3 3 RMSD = 1.09 A TRANSFORM -0.0225 0.8311 -0.5557 0.8439 -0.2823 -0.4563 0.5361 0.4792 0.6950 59.987 81.168 -11.248 A 228 ASP A 37 ASP~? A 260 ASP F 37 ASP~? A 329 ASP B 35 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 1.12 A TRANSFORM -0.5311 -0.5594 -0.6364 -0.4768 0.8182 -0.3213 -0.7004 -0.1328 0.7012 51.140 42.998 -11.589 A 99 ARG A 40 ARG~? A 101 ASP B 35 ASP~? A 132 ASP A 37 ASP~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 10 3 RMSD = 1.12 A TRANSFORM -0.1207 -0.9137 0.3880 -0.2694 -0.3460 -0.8987 -0.9554 0.2130 0.2044 37.531 82.420 17.078 199 ASP B 35 ASP~? 218 GLU F 55 GLU~? 329 ASP A 37 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 1.13 A TRANSFORM 0.5032 0.5679 0.6514 0.3863 -0.8221 0.4183 -0.7730 -0.0412 0.6330 -28.397 -20.816 -6.319 B 99 ARG A 40 ARG~? B 101 ASP B 35 ASP~? B 132 ASP A 37 ASP~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 16 3 RMSD = 1.15 A TRANSFORM -0.0197 -0.8842 0.4666 0.6514 -0.3654 -0.6650 -0.7585 -0.2908 -0.5832 45.367 51.583 74.820 199 ASP D 35 ASP~? 218 GLU B 55 GLU~? 329 ASP E 37 ASP~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 1.16 A TRANSFORM 0.5157 0.5804 0.6302 0.3960 -0.8138 0.4255 -0.7598 -0.0301 0.6495 -27.543 -21.520 -7.299 B 99 ARG A 40 ARG~? B 101 ASP B 35 ASP~? B 132 ASP A 37 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 1.16 A TRANSFORM -0.5250 -0.5693 -0.6327 -0.4594 0.8153 -0.3524 -0.7165 -0.1056 0.6896 50.756 44.268 -10.709 A 99 ARG A 40 ARG~? A 101 ASP B 35 ASP~? A 132 ASP A 37 ASP~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.17 A TRANSFORM 0.1858 0.9820 0.0344 -0.4545 0.1169 -0.8830 0.8711 -0.1485 -0.4681 -0.189 115.082 41.894 179 ASP A 37 ASP~? 214 ASP D 35 ASP~? 289 ASP B 35 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 RMSD = 1.21 A TRANSFORM 0.8040 0.1700 -0.5698 -0.0286 -0.9461 -0.3227 0.5939 -0.2757 0.7558 1.581 55.674 -47.680 A 99 ARG C 40 ARG~? A 101 ASP E 35 ASP~? A 132 ASP C 37 ASP~? ULMNm 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 2 3 RMSD = 1.22 A TRANSFORM -0.5983 -0.4474 -0.6647 0.5679 0.3485 -0.7457 -0.5653 0.8236 -0.0456 100.267 35.473 19.589 A 271 GLN F 49 GLN~? A 296 GLU F 45 GLU~? A 383 TYR E 48 TYR~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 RMSD = 1.22 A TRANSFORM -0.7869 -0.1924 0.5864 0.0973 0.8996 0.4257 0.6094 -0.3920 0.6891 20.286 -37.552 -41.952 B 99 ARG C 40 ARG~? B 101 ASP E 35 ASP~? B 132 ASP C 37 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 1.24 A TRANSFORM -0.1768 0.7799 -0.6005 0.9536 -0.0154 -0.3007 0.2438 0.6258 0.7409 39.949 16.311 -32.740 A 99 ARG B 40 ARG~? A 101 ASP F 35 ASP~? A 132 ASP B 37 ASP~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 RMSD = 1.25 A TRANSFORM -0.8014 -0.1971 0.5648 0.0843 0.8975 0.4328 0.5922 -0.3945 0.7026 22.126 -37.499 -41.797 B 99 ARG C 40 ARG~? B 101 ASP E 35 ASP~? B 132 ASP C 37 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 RMSD = 1.25 A TRANSFORM 0.8031 0.1828 -0.5671 -0.0387 -0.9338 -0.3557 0.5946 -0.3076 0.7429 1.137 57.583 -46.386 A 99 ARG C 40 ARG~? A 101 ASP E 35 ASP~? A 132 ASP C 37 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 1.25 A TRANSFORM 0.1974 -0.7628 0.6158 -0.9117 0.0879 0.4012 0.3602 0.6406 0.6781 -18.144 3.068 -31.184 B 99 ARG B 40 ARG~? B 101 ASP F 35 ASP~? B 132 ASP B 37 ASP~? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 7 3 RMSD = 1.27 A TRANSFORM 0.9643 -0.2388 0.1140 0.2084 0.9508 0.2291 0.1631 0.1972 -0.9667 -45.098 28.274 75.733 A 32 ASP D 31 ASP~? A 35 SER D 30 SER~? A 215 ASP D 35 ASP~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 4 3 RMSD = 1.27 A TRANSFORM -0.7362 0.3940 -0.5502 0.6417 0.6646 -0.3828 -0.2149 0.6349 0.7421 92.812 -9.031 -29.877 A 32 ASP C 31 ASP~? A 35 SER C 30 SER~? A 218 ASP C 35 ASP~? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 11 3 RMSD = 1.27 A TRANSFORM -0.9846 -0.1732 0.0249 0.1727 -0.9382 0.2998 0.0286 -0.2995 -0.9537 12.939 51.430 84.156 A 32 ASP F 31 ASP~? A 35 SER F 30 SER~? A 215 ASP F 35 ASP~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 33 3 RMSD = 1.27 A TRANSFORM -0.5099 0.8190 -0.2630 0.7563 0.2811 -0.5907 0.4099 0.5002 0.7628 57.610 62.935 -4.097 A 50 GLN E 47 GLN~? A 91 LEU E 50 LEU~? A 133 GLU D 45 GLU~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 1.29 A TRANSFORM 0.2030 -0.7779 0.5947 -0.9093 0.0756 0.4092 0.3633 0.6238 0.6920 -17.125 2.498 -31.802 B 99 ARG B 40 ARG~? B 101 ASP F 35 ASP~? B 132 ASP B 37 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 1.29 A TRANSFORM -0.1883 0.7801 -0.5966 0.9427 -0.0267 -0.3325 0.2754 0.6251 0.7304 39.872 18.162 -32.766 A 99 ARG B 40 ARG~? A 101 ASP F 35 ASP~? A 132 ASP B 37 ASP~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 34 3 RMSD = 1.29 A TRANSFORM 0.3369 -0.7203 -0.6063 0.2106 -0.5700 0.7942 0.9177 0.3952 0.0403 109.517 -14.289 4.306 C1050 GLN E 47 GLN~? C1091 LEU E 50 LEU~? C1133 GLU D 45 GLU~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 12 3 RMSD = 1.30 A TRANSFORM 0.7305 0.6499 -0.2097 0.5778 -0.4245 0.6971 -0.3641 0.6304 0.6856 -44.521 -33.128 -1.621 A 18 SER C 15 SER~? A 20 HIS D 18 HIS~? A 22 LEU D 21 LEU~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 5 3 RMSD = 1.30 A TRANSFORM 0.2549 0.2418 -0.9363 -0.0213 0.9694 0.2445 -0.9667 0.0424 -0.2522 68.648 -26.019 98.652 111 GLN D 52 GLN~? 294 GLU D 45 GLU~? 304 ARG D 56 ARG~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 30 3 RMSD = 1.30 A TRANSFORM 0.9768 0.1497 -0.1531 0.2141 -0.6895 0.6919 0.0019 0.7086 0.7056 -23.941 -18.986 -5.952 A 18 SER F 15 SER~? A 20 HIS B 18 HIS~? A 22 LEU B 21 LEU~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 5 3 RMSD = 1.31 A TRANSFORM -0.7017 0.7116 -0.0354 -0.1805 -0.1295 0.9750 -0.6892 -0.6905 -0.2194 34.936 -14.169 91.573 32 ASP C 31 ASP~? 35 SER C 30 SER~? 215 ASP C 35 ASP~? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 4 3 RMSD = 1.31 A TRANSFORM -0.0375 0.9942 -0.1004 -0.9136 -0.0748 -0.3997 0.4049 -0.0767 -0.9112 -4.371 86.349 50.703 34 ASP C 31 ASP~? 37 SER C 30 SER~? 216 ASP C 35 ASP~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 31 3 RMSD = 1.31 A TRANSFORM -0.3189 0.9299 -0.1833 -0.2049 0.1212 0.9712 -0.9254 -0.3473 -0.1519 94.201 -14.630 102.617 B 550 GLN E 47 GLN~? B 591 LEU E 50 LEU~? B 633 GLU D 45 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 31 3 RMSD = 1.31 A TRANSFORM 0.0439 -0.0384 -0.9983 0.4965 -0.8663 0.0551 0.8669 0.4981 0.0190 108.031 39.159 29.182 A 50 GLN E 47 GLN~? A 91 LEU E 50 LEU~? A 133 GLU D 45 GLU~? ULMNm 3 1avf_c04 GASTRICSIN user 7 3 RMSD = 1.32 A TRANSFORM -0.4887 -0.1535 0.8588 -0.4026 0.9130 -0.0659 0.7740 0.3780 0.5080 -27.302 1.611 -2.674 A 32 ASP D 31 ASP~? A 35 SER D 30 SER~? A 217 ASP D 35 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 5 3 RMSD = 1.32 A TRANSFORM 0.7240 -0.6896 0.0155 0.5496 0.5904 0.5911 0.4168 0.4194 -0.8065 26.430 -6.955 108.097 35 ASP C 31 ASP~? 38 SER C 30 SER~? 218 ASP C 35 ASP~? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 5 3 RMSD = 1.32 A TRANSFORM 0.3484 -0.2621 -0.8999 -0.6431 -0.7653 -0.0261 0.6819 -0.5879 0.4352 55.091 64.367 -16.168 E 33 ASP C 31 ASP~? E 36 SER C 30 SER~? E 213 ASP C 35 ASP~? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 3 3 RMSD = 1.32 A TRANSFORM 0.7513 -0.6454 0.1376 0.5915 0.7511 0.2932 0.2926 0.1389 -0.9461 -24.386 39.443 78.273 A 32 ASP B 31 ASP~? A 35 SER B 30 SER~? A 215 ASP B 35 ASP~? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 4 3 RMSD = 1.32 A TRANSFORM -0.3583 0.3314 -0.8728 0.6553 -0.5766 -0.4880 0.6650 0.7468 0.0105 53.548 39.600 -39.204 P 32 ASP C 31 ASP~? P 35 SER C 30 SER~? P 215 ASP C 35 ASP~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.32 A TRANSFORM -0.1419 0.9746 -0.1734 0.8010 0.0101 -0.5986 0.5817 0.2239 0.7820 46.755 81.642 10.401 A 50 GLN A 47 GLN~? A 91 LEU A 50 LEU~? A 133 GLU B 45 GLU~? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 5 3 RMSD = 1.33 A TRANSFORM -0.8288 -0.5558 0.0652 0.5509 -0.7899 0.2695 0.0983 -0.2593 -0.9608 36.180 47.081 86.691 A 32 ASP C 31 ASP~? A 35 SER C 30 SER~? A 215 ASP C 35 ASP~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 5 3 RMSD = 1.33 A TRANSFORM 0.6089 0.2956 -0.7361 -0.7049 0.6273 -0.3312 -0.3638 -0.7205 -0.5903 6.845 45.915 133.745 32 ASP C 31 ASP~? 35 SER C 30 SER~? 215 ASP C 35 ASP~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 3 3 RMSD = 1.34 A TRANSFORM -0.5197 -0.8537 -0.0330 0.1161 -0.1088 0.9873 0.8464 -0.5092 -0.1556 32.578 -25.869 31.963 32 ASP B 31 ASP~? 35 SER B 30 SER~? 215 ASP B 35 ASP~? ULMNm 3 1avf_c04 GASTRICSIN user 10 3 RMSD = 1.34 A TRANSFORM 0.2933 0.3984 0.8691 0.7465 -0.6633 0.0521 -0.5972 -0.6335 0.4920 -55.761 -15.130 50.688 A 32 ASP F 31 ASP~? A 35 SER F 30 SER~? A 217 ASP F 35 ASP~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 10 3 RMSD = 1.34 A TRANSFORM -0.3291 0.9428 -0.0539 -0.2629 -0.0366 0.9641 -0.9070 -0.3314 -0.2599 25.544 -17.153 69.793 32 ASP F 31 ASP~? 35 SER F 30 SER~? 215 ASP F 35 ASP~? ULMNm 3 2hdh_c02 L-3-HYDROXYACYL COA DEHYDROGENASE user 15 3 RMSD = 1.34 A TRANSFORM -0.6086 0.5416 0.5799 0.7926 0.4506 0.4108 0.0388 -0.7096 0.7035 49.292 17.193 57.333 B 137 SER F 19 SER~? B 158 HIS A 18 HIS~? B 208 ASN F 16 ASN~? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 13 3 RMSD = 1.34 A TRANSFORM 0.3886 0.9169 -0.0910 -0.8433 0.3142 -0.4361 0.3713 -0.2462 -0.8953 3.641 64.581 57.143 34 ASP F 31 ASP~? 37 SER F 30 SER~? 216 ASP F 35 ASP~? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 3 3 RMSD = 1.35 A TRANSFORM -0.9477 -0.2842 -0.1453 0.3178 -0.8818 -0.3485 0.0291 0.3765 -0.9260 34.680 41.401 64.134 34 ASP B 31 ASP~? 37 SER B 30 SER~? 216 ASP B 35 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 4 3 RMSD = 1.36 A TRANSFORM 0.4883 0.8726 0.0140 -0.7405 0.4057 0.5358 -0.4618 0.2720 -0.8443 30.587 43.110 142.622 35 ASP B 31 ASP~? 38 SER B 30 SER~? 218 ASP B 35 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 15 3 RMSD = 1.36 A TRANSFORM 0.3662 -0.9297 0.0399 0.7200 0.3103 0.6208 0.5895 0.1986 -0.7830 36.081 11.787 119.379 35 ASP F 31 ASP~? 38 SER F 30 SER~? 218 ASP F 35 ASP~? ULMNm 3 1avf_c04 GASTRICSIN user 3 3 RMSD = 1.36 A TRANSFORM -0.5637 0.0370 0.8251 0.0379 0.9991 -0.0189 0.8251 -0.0206 0.5646 -36.957 -2.328 18.310 A 32 ASP B 31 ASP~? A 35 SER B 30 SER~? A 217 ASP B 35 ASP~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 4 3 RMSD = 1.37 A TRANSFORM -0.3954 0.4976 -0.7720 -0.4305 -0.8429 -0.3229 0.8114 -0.2047 -0.5474 44.794 39.464 87.276 32 ASP B 31 ASP~? 35 SER B 30 SER~? 215 ASP B 35 ASP~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 13 3 RMSD = 1.37 A TRANSFORM -0.4730 0.6658 -0.5770 0.8802 0.3272 -0.3439 0.0402 0.6706 0.7408 78.874 10.143 -27.328 A 32 ASP F 31 ASP~? A 35 SER F 30 SER~? A 218 ASP F 35 ASP~? ULMNm 3 1myr_c00 MYROSINASE user 2 3 RMSD = 1.37 A TRANSFORM 0.5939 0.7892 -0.1567 0.5633 -0.5469 -0.6193 0.5744 -0.2795 0.7693 35.463 143.792 -7.755 187 GLN B 47 GLN~? 328 ASN F 46 ASN~? 409 GLU F 45 GLU~? ULMNm 3 1bbs_c07 RENIN user 5 3 RMSD = 1.37 A TRANSFORM 0.4824 -0.8273 0.2880 0.8399 0.3434 -0.4202 -0.2487 -0.4446 -0.8605 49.835 15.540 137.968 32 ASP C 31 ASP~? 35 SER C 30 SER~? 215 ASP C 35 ASP~? ULMNm 3 1bbs_c06 RENIN user 5 3 RMSD = 1.37 A TRANSFORM 0.4824 -0.8273 0.2880 0.8399 0.3434 -0.4202 -0.2487 -0.4446 -0.8605 49.835 15.540 137.968 32 ASP C 31 ASP~? 35 SER C 30 SER~? 215 ASP C 35 ASP~? ULMNm 3 1avf_c05 GASTRICSIN user 8 3 RMSD = 1.37 A TRANSFORM -0.8572 -0.3595 -0.3686 0.3576 -0.9308 0.0762 0.3705 0.0665 -0.9264 11.421 -15.169 45.921 J 32 ASP D 31 ASP~? J 35 SER D 30 SER~? J 217 ASP D 35 ASP~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 3 3 RMSD = 1.37 A TRANSFORM -0.1795 -0.8279 -0.5314 -0.7771 0.4506 -0.4395 -0.6033 -0.3341 0.7242 75.032 46.206 -12.254 A 32 ASP B 31 ASP~? A 35 SER B 30 SER~? A 218 ASP B 35 ASP~? ULMNm 3 1avf_c05 GASTRICSIN user 13 3 RMSD = 1.38 A TRANSFORM 0.6659 0.6604 -0.3471 -0.7144 0.6985 -0.0416 -0.2150 -0.2756 -0.9369 -46.361 -1.296 65.985 J 32 ASP F 31 ASP~? J 35 SER F 30 SER~? J 217 ASP F 35 ASP~? ULMNm 3 1sme_c04 PLASMEPSIN II user 5 3 RMSD = 1.38 A TRANSFORM 0.8316 0.5550 -0.0212 0.5259 -0.7992 -0.2912 0.1786 -0.2310 0.9564 -0.476 70.290 -22.438 A 34 ASP C 31 ASP~? A 37 SER C 30 SER~? A 214 ASP C 35 ASP~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 11 3 RMSD = 1.38 A TRANSFORM -0.0693 -0.2169 -0.9737 0.5880 -0.7974 0.1358 0.8059 0.5631 -0.1828 86.416 -10.727 40.207 111 GLN F 52 GLN~? 294 GLU F 45 GLU~? 304 ARG F 56 ARG~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.38 A TRANSFORM 0.0251 -0.7359 -0.6766 -0.0257 -0.6770 0.7355 0.9994 0.0011 0.0359 113.661 -8.720 29.053 C1050 GLN A 47 GLN~? C1091 LEU A 50 LEU~? C1133 GLU B 45 GLU~? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 3 3 RMSD = 1.39 A TRANSFORM -0.1893 -0.4580 -0.8685 0.4274 0.7579 -0.4928 -0.8840 0.4645 -0.0524 49.551 44.495 21.189 P 32 ASP B 31 ASP~? P 35 SER B 30 SER~? P 215 ASP B 35 ASP~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 15 3 RMSD = 1.39 A TRANSFORM 0.7141 0.0035 -0.7000 -0.3483 0.8692 -0.3510 -0.6072 -0.4945 -0.6219 20.998 34.891 118.240 32 ASP F 31 ASP~? 35 SER F 30 SER~? 215 ASP F 35 ASP~? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 13 3 RMSD = 1.39 A TRANSFORM -0.1436 0.4471 -0.8829 0.3710 -0.8028 -0.4668 0.9175 0.3946 0.0506 46.674 47.849 -17.885 P 32 ASP F 31 ASP~? P 35 SER F 30 SER~? P 215 ASP F 35 ASP~? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 4 3 RMSD = 1.39 A TRANSFORM 0.2180 0.3715 -0.9025 0.8987 -0.4370 0.0372 0.3806 0.8191 0.4292 58.365 4.114 -8.965 E 33 ASP B 31 ASP~? E 36 SER B 30 SER~? E 213 ASP B 35 ASP~? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 15 3 RMSD = 1.39 A TRANSFORM 0.2467 -0.3918 -0.8864 -0.9037 -0.4234 -0.0644 0.3501 -0.8169 0.4585 58.402 43.268 -5.560 E 33 ASP F 31 ASP~? E 36 SER F 30 SER~? E 213 ASP F 35 ASP~? ULMNm 3 1avf_c05 GASTRICSIN user 3 3 RMSD = 1.39 A TRANSFORM -0.9013 0.0683 -0.4278 -0.0873 -0.9959 0.0249 0.4243 -0.0598 -0.9035 -10.978 -12.267 52.227 J 32 ASP B 31 ASP~? J 35 SER B 30 SER~? J 217 ASP B 35 ASP~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 7 3 RMSD = 1.39 A TRANSFORM -0.0840 -0.9959 0.0349 0.1877 0.0185 0.9820 0.9786 -0.0891 -0.1854 40.292 -32.745 10.528 32 ASP D 31 ASP~? 35 SER D 30 SER~? 215 ASP D 35 ASP~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 6 3 RMSD = 1.39 A TRANSFORM -0.5872 0.7475 -0.3106 0.4016 0.6022 0.6900 -0.7028 -0.2804 0.6538 9.919 -25.740 11.694 A 18 SER B 15 SER~? A 20 HIS A 18 HIS~? A 22 LEU A 21 LEU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.40 A TRANSFORM 0.0704 0.9930 -0.0944 -0.1366 0.1034 0.9852 -0.9881 0.0564 -0.1429 89.045 -16.548 77.530 B 550 GLN A 47 GLN~? B 591 LEU A 50 LEU~? B 633 GLU B 45 GLU~? ULMNm 3 3hde_o02 LYSOZYME user 2 3 RMSD = 1.40 A TRANSFORM 0.6358 0.7354 0.2345 0.3667 -0.0204 -0.9301 0.6792 -0.6773 0.2827 0.753 4.981 -9.913 C 35 GLU B 12 GLU~? C 44 ASP F 6 ASP~? C 50 THR F 9 THR~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.40 A TRANSFORM -0.3271 -0.9007 -0.2858 -0.7410 0.0568 0.6691 0.5864 -0.4307 0.6860 7.908 -0.764 -14.851 A 18 SER A 15 SER~? A 20 HIS F 18 HIS~? A 22 LEU F 21 LEU~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 7 3 RMSD = 1.40 A TRANSFORM 0.0519 0.9488 0.3116 0.9961 -0.0268 -0.0842 0.0715 -0.3147 0.9465 -45.622 9.231 52.606 B 34 SER D 19 SER~? B 37 ASN D 16 ASN~? B 45 THR F 23 THR~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 24 3 RMSD = 1.40 A TRANSFORM 0.6117 0.6604 0.4356 0.4466 0.1662 -0.8792 0.6530 -0.7323 0.1933 -7.843 56.203 -12.780 199 ASP E 35 ASP~? 218 GLU D 55 GLU~? 329 ASP C 37 ASP~? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 8 3 RMSD = 1.40 A TRANSFORM -0.7212 -0.6885 -0.0759 0.6702 -0.6659 -0.3278 -0.1752 0.2873 -0.9417 55.515 30.621 68.864 34 ASP D 31 ASP~? 37 SER D 30 SER~? 216 ASP D 35 ASP~? ULMNm 3 1am5_c04 PEPSIN user 5 3 RMSD = 1.40 A TRANSFORM -0.6590 0.7459 -0.0970 -0.7518 -0.6571 0.0545 0.0231 -0.1088 -0.9938 6.342 59.016 188.127 32 ASP C 31 ASP~? 35 SER C 30 SER~? 215 ASP C 35 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 9 3 RMSD = 1.41 A TRANSFORM 0.0429 0.9978 -0.0507 -0.8256 0.0640 0.5606 -0.5626 -0.0178 -0.8266 23.800 60.398 157.741 35 ASP D 31 ASP~? 38 SER D 30 SER~? 218 ASP D 35 ASP~? ULMNm 3 3hde_o01 LYSOZYME user 2 3 RMSD = 1.41 A TRANSFORM 0.0140 0.4314 -0.9021 0.3281 -0.8542 -0.4034 0.9446 0.2903 0.1535 -2.017 -7.186 -46.877 B 35 GLU B 12 GLU~? B 44 ASP F 6 ASP~? B 50 THR F 9 THR~? ULMNm 3 3hde_o02 LYSOZYME user 1 3 RMSD = 1.41 A TRANSFORM -0.9664 0.1997 0.1619 -0.0924 0.3177 -0.9437 0.2399 0.9269 0.2886 36.014 13.968 -4.555 C 35 GLU A 12 GLU~? C 44 ASP B 6 ASP~? C 50 THR B 9 THR~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.41 A TRANSFORM 0.0197 0.0393 -0.9990 0.1161 -0.9926 -0.0367 0.9930 0.1153 0.0241 106.114 48.788 53.033 A 50 GLN A 47 GLN~? A 91 LEU A 50 LEU~? A 133 GLU B 45 GLU~? ULMNm 3 1bbs_c07 RENIN user 13 3 RMSD = 1.42 A TRANSFORM 0.0685 -0.9529 0.2954 0.9261 -0.0494 -0.3741 -0.3711 -0.2991 -0.8791 53.941 35.998 126.648 32 ASP F 31 ASP~? 35 SER F 30 SER~? 215 ASP F 35 ASP~? ULMNm 3 1bbs_c06 RENIN user 13 3 RMSD = 1.42 A TRANSFORM 0.0685 -0.9529 0.2954 0.9261 -0.0494 -0.3741 -0.3711 -0.2991 -0.8791 53.941 35.998 126.648 32 ASP F 31 ASP~? 35 SER F 30 SER~? 215 ASP F 35 ASP~? ULMNm 3 3hde_o02 LYSOZYME user 5 3 RMSD = 1.43 A TRANSFORM -0.9080 -0.3779 0.1810 -0.2414 0.1185 -0.9632 -0.3425 0.9182 0.1988 60.775 21.884 0.506 C 35 GLU E 12 GLU~? C 44 ASP D 6 ASP~? C 50 THR D 9 THR~? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.43 A TRANSFORM -0.6097 -0.7248 -0.3209 -0.6880 0.6849 -0.2399 -0.3937 -0.0745 0.9162 19.790 -12.860 -25.706 A 35 GLU B 12 GLU~? A 44 ASP F 6 ASP~? A 50 THR F 9 THR~? ULMNm 3 1sme_c05 PLASMEPSIN II user 5 3 RMSD = 1.43 A TRANSFORM 0.7902 -0.2957 -0.5368 -0.4808 -0.8423 -0.2438 0.3801 -0.4507 0.8077 11.689 152.673 14.277 B 34 ASP C 31 ASP~? B 37 SER C 30 SER~? B 214 ASP C 35 ASP~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 9 3 RMSD = 1.43 A TRANSFORM -0.6027 0.2226 -0.7663 -0.0205 -0.9643 -0.2640 0.7977 0.1434 -0.5857 59.133 46.441 69.549 32 ASP D 31 ASP~? 35 SER D 30 SER~? 215 ASP D 35 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 11 3 RMSD = 1.43 A TRANSFORM 0.8069 -0.2110 -0.5517 -0.4745 -0.7879 -0.3926 0.3518 -0.5786 0.7359 20.644 49.893 -33.014 A 99 ARG F 40 ARG~? A 101 ASP A 35 ASP~? A 132 ASP F 37 ASP~? ULMNm 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 7 3 RMSD = 1.43 A TRANSFORM 0.5156 0.5000 -0.6958 0.2130 0.7118 0.6693 -0.8299 0.4933 -0.2605 50.438 17.362 93.206 A 130 ASP B 35 ASP~? A 153 ASN B 32 ASN~? A 189 GLN A 33 GLN~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 19 3 RMSD = 1.43 A TRANSFORM -0.9099 0.2884 -0.2982 0.0210 0.7500 0.6611 -0.4143 -0.5953 0.6885 32.034 -31.405 23.349 A 18 SER D 15 SER~? A 20 HIS E 18 HIS~? A 22 LEU E 21 LEU~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 22 3 RMSD = 1.43 A TRANSFORM 0.1917 -0.9398 -0.2830 -0.6552 -0.3372 0.6760 0.7307 -0.0559 0.6804 9.273 16.623 -34.084 A 18 SER E 15 SER~? A 20 HIS C 18 HIS~? A 22 LEU C 21 LEU~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 8 3 RMSD = 1.43 A TRANSFORM 0.1988 -0.8496 -0.4886 -0.9107 0.0239 -0.4123 -0.3619 -0.5270 0.7690 76.758 68.131 -2.520 A 32 ASP D 31 ASP~? A 35 SER D 30 SER~? A 218 ASP D 35 ASP~? ULMNm 3 1bbs_c07 RENIN user 3 3 RMSD = 1.44 A TRANSFORM 0.6612 0.6844 0.3072 -0.5163 0.7123 -0.4754 0.5442 -0.1557 -0.8244 37.853 66.683 106.806 32 ASP B 31 ASP~? 35 SER B 30 SER~? 215 ASP B 35 ASP~? ULMNm 3 1bbs_c06 RENIN user 3 3 RMSD = 1.44 A TRANSFORM 0.6612 0.6844 0.3072 -0.5163 0.7123 -0.4754 0.5442 -0.1557 -0.8244 37.853 66.683 106.806 32 ASP B 31 ASP~? 35 SER B 30 SER~? 215 ASP B 35 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 11 3 RMSD = 1.44 A TRANSFORM -0.8048 0.1840 0.5643 0.5064 0.7088 0.4910 0.3097 -0.6810 0.6636 1.722 -30.022 -27.689 B 99 ARG F 40 ARG~? B 101 ASP A 35 ASP~? B 132 ASP F 37 ASP~? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 9 3 RMSD = 1.44 A TRANSFORM -0.0029 0.3744 -0.9273 0.9998 0.0180 0.0041 -0.0182 0.9271 0.3744 58.413 -19.153 -15.033 E 33 ASP D 31 ASP~? E 36 SER D 30 SER~? E 213 ASP D 35 ASP~? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 8 3 RMSD = 1.44 A TRANSFORM 0.0098 -0.5472 -0.8369 0.0229 0.8369 -0.5469 -0.9997 0.0137 -0.0208 54.634 40.297 44.262 P 32 ASP D 31 ASP~? P 35 SER D 30 SER~? P 215 ASP D 35 ASP~? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.45 A TRANSFORM -0.3170 -0.2108 -0.9247 0.6151 0.6964 -0.3697 -0.7219 0.6860 0.0911 6.647 -17.032 -12.514 B 35 GLU A 12 GLU~? B 44 ASP B 6 ASP~? B 50 THR B 9 THR~? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 4 3 RMSD = 1.45 A TRANSFORM 0.2203 0.5498 -0.8057 0.8306 -0.5389 -0.1406 0.5115 0.6382 0.5753 -10.958 -22.465 -55.847 A 54 GLU E 12 GLU~? A 65 ARG D 13 ARG~? A 85 HIS D 18 HIS~? ULMNm 3 3hde_o01 LYSOZYME user 5 3 RMSD = 1.45 A TRANSFORM -0.1214 -0.4396 -0.8899 0.1091 0.8852 -0.4522 -0.9866 0.1520 0.0595 13.386 -22.250 12.557 B 35 GLU E 12 GLU~? B 44 ASP D 6 ASP~? B 50 THR D 9 THR~? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 2 3 RMSD = 1.45 A TRANSFORM 0.1080 -0.6282 -0.7706 -0.9692 0.1060 -0.2222 -0.2212 -0.7708 0.5974 5.932 22.646 -15.978 A 54 GLU B 12 GLU~? A 65 ARG F 13 ARG~? A 85 HIS F 18 HIS~? ULMNm 3 1am5_c04 PEPSIN user 4 3 RMSD = 1.46 A TRANSFORM -0.5521 -0.8276 -0.1009 0.8183 -0.5611 0.1248 0.1599 0.0136 -0.9870 7.252 -1.887 182.837 32 ASP B 31 ASP~? 35 SER B 30 SER~? 215 ASP B 35 ASP~? ULMNm 3 1am5_c04 PEPSIN user 15 3 RMSD = 1.46 A TRANSFORM -0.2787 0.9535 -0.1144 -0.9602 -0.2787 0.0164 0.0162 -0.1145 -0.9933 -1.722 36.518 185.602 32 ASP F 31 ASP~? 35 SER F 30 SER~? 215 ASP F 35 ASP~? ULMNm 3 1avf_c05 GASTRICSIN user 4 3 RMSD = 1.46 A TRANSFORM 0.3097 0.8753 -0.3715 -0.9435 0.3313 -0.0060 -0.1178 -0.3524 -0.9284 -60.294 16.583 73.732 J 32 ASP C 31 ASP~? J 35 SER C 30 SER~? J 217 ASP C 35 ASP~? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 9 3 RMSD = 1.46 A TRANSFORM -0.2451 0.9410 0.2332 -0.9359 -0.2924 0.1962 -0.2528 0.1702 -0.9524 -24.622 100.347 93.638 A 32 ASP E 31 ASP~? A 35 SER E 30 SER~? A 215 ASP E 35 ASP~? ULMNm 3 3hde_o00 LYSOZYME user 5 3 RMSD = 1.47 A TRANSFORM 0.8873 0.3736 -0.2703 0.3433 -0.9265 -0.1538 0.3079 -0.0437 0.9504 -38.598 -23.400 -47.527 A 35 GLU E 12 GLU~? A 44 ASP D 6 ASP~? A 50 THR D 9 THR~? ULMNm 3 1avf_c04 GASTRICSIN user 5 3 RMSD = 1.47 A TRANSFORM 0.1404 0.4884 0.8613 0.9553 -0.2953 0.0117 -0.2601 -0.8212 0.5080 -65.253 -33.228 63.168 A 32 ASP C 31 ASP~? A 35 SER C 30 SER~? A 217 ASP C 35 ASP~? ULMNm 3 2vmg_p00 FIBRONECTIN TYPE III DOMAIN PROTEIN user 31 3 RMSD = 1.47 A TRANSFORM 0.1023 -0.6519 0.7513 -0.7553 -0.5425 -0.3678 -0.6474 0.5298 0.5479 -16.183 14.777 6.236 A 82 HIS F 18 HIS~? A 166 SER F 15 SER~? A 168 HIS A 18 HIS~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 9 3 RMSD = 1.48 A TRANSFORM 0.9727 -0.0450 -0.2275 -0.2318 -0.1518 -0.9609 -0.0087 -0.9874 0.1581 23.794 122.192 29.678 A 228 ASP B 37 ASP~? A 261 ASP A 31 ASP~? A 329 ASP F 35 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 10 3 RMSD = 1.48 A TRANSFORM 0.8146 -0.2055 -0.5424 -0.4761 -0.7712 -0.4227 0.3314 -0.6025 0.7260 19.883 51.448 -31.994 A 99 ARG F 40 ARG~? A 101 ASP A 35 ASP~? A 132 ASP F 37 ASP~? ULMNm 3 3hde_o02 LYSOZYME user 4 3 RMSD = 1.48 A TRANSFORM 0.1207 0.9715 0.2041 0.2733 0.1652 -0.9476 0.9543 -0.1702 0.2456 -7.035 -0.346 -33.579 C 35 GLU D 12 GLU~? C 44 ASP C 6 ASP~? C 50 THR C 9 THR~? ULMNm 3 1sme_c04 PLASMEPSIN II user 15 3 RMSD = 1.48 A TRANSFORM 0.9888 0.1475 0.0238 0.1482 -0.9480 -0.2817 0.0190 -0.2821 0.9592 22.730 74.318 -18.387 A 34 ASP F 31 ASP~? A 37 SER F 30 SER~? A 214 ASP F 35 ASP~? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 10 3 RMSD = 1.49 A TRANSFORM 0.4376 0.7099 0.5518 0.5065 0.3124 -0.8037 0.7429 -0.6312 0.2228 -65.793 79.975 12.748 A 32 ASP E 37 ASP~? A 35 SER E 34 SER~? A 215 ASP D 35 ASP~? ULMNm 3 2vmg_p00 FIBRONECTIN TYPE III DOMAIN PROTEIN user 18 3 RMSD = 1.49 A TRANSFORM 0.1016 0.6533 0.7502 0.9542 0.1492 -0.2592 0.2813 -0.7422 0.6083 -33.198 -46.013 -5.636 A 82 HIS D 18 HIS~? A 166 SER D 15 SER~? A 168 HIS C 18 HIS~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 10 3 RMSD = 1.49 A TRANSFORM -0.8197 0.1908 0.5400 0.4942 0.7122 0.4985 0.2895 -0.6755 0.6781 3.291 -30.320 -27.918 B 99 ARG F 40 ARG~? B 101 ASP A 35 ASP~? B 132 ASP F 37 ASP~? ULMNm 3 1sme_c04 PLASMEPSIN II user 4 3 RMSD = 1.49 A TRANSFORM -0.7361 0.6715 -0.0848 0.6642 0.6927 -0.2810 0.1299 0.2632 0.9560 59.517 60.621 -22.227 A 34 ASP B 31 ASP~? A 37 SER B 30 SER~? A 214 ASP B 35 ASP~? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.49 A TRANSFORM 0.9508 -0.1824 -0.2506 -0.2448 -0.9378 -0.2461 0.1901 -0.2953 0.9363 -14.585 -18.256 -37.616 A 35 GLU A 12 GLU~? A 44 ASP B 6 ASP~? A 50 THR B 9 THR~? ULMNm 3 1cns_c01 CHITINASE user 16 3 RMSD = 1.49 A TRANSFORM -0.7159 0.6944 0.0725 0.1047 0.0041 0.9945 -0.6903 -0.7195 0.0756 31.599 -35.200 85.734 B 67 GLU E 12 GLU~? B 89 GLU C 12 GLU~? B 120 SER C 15 SER~? ULMNm 3 1sme_c05 PLASMEPSIN II user 11 3 RMSD = 1.50 A TRANSFORM 0.6136 -0.6021 -0.5108 -0.7793 -0.5660 -0.2691 0.1271 -0.5632 0.8165 25.526 133.718 20.143 B 34 ASP F 31 ASP~? B 37 SER F 30 SER~? B 214 ASP F 35 ASP~? ULMNm 3 3hde_o01 LYSOZYME user 4 3 RMSD = 1.50 A TRANSFORM -0.2714 0.3410 -0.9000 0.7340 -0.5316 -0.4227 0.6226 0.7753 0.1060 5.374 -22.176 -66.105 B 35 GLU D 12 GLU~? B 44 ASP C 6 ASP~? B 50 THR C 9 THR~?