*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 0.87 A TRANSFORM 0.2456 0.9027 0.3532 0.7111 0.0799 -0.6985 0.6588 -0.4227 0.6223 -16.824 17.962 -45.051 A 465 GLY A 69 GLY~? A 501 ASP A 158 ASP~? B 367 TYR A 79 TYR.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 0.89 A TRANSFORM 0.3446 0.8239 0.4500 0.7621 0.0344 -0.6466 0.5482 -0.5657 0.6160 -21.589 15.126 -36.191 A 465 GLY A 71 GLY~? A 501 ASP A 157 ASP~? B 367 TYR A 79 TYR.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 0.90 A TRANSFORM -0.3532 0.4640 0.8124 -0.7605 -0.6482 0.0396 -0.5449 0.6038 -0.5818 12.816 87.472 -30.980 D 465 GLY A 71 GLY~? D 501 ASP A 157 ASP~? E 367 TYR A 79 TYR.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 0.92 A TRANSFORM -0.3706 0.4843 0.7925 -0.6543 -0.7418 0.1473 -0.6592 0.4639 -0.5918 13.201 82.214 -21.956 D 465 GLY A 69 GLY~? D 501 ASP A 158 ASP~? E 367 TYR A 79 TYR.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 6 3 RMSD = 0.98 A TRANSFORM 0.3015 0.7638 0.5707 0.6716 0.2548 -0.6957 0.6768 -0.5931 0.4362 -20.915 14.890 -36.543 A 465 GLY A 71 GLY~? A 501 ASP A 158 ASP~? B 367 TYR A 79 TYR.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 6 3 RMSD = 1.02 A TRANSFORM -0.3041 0.2536 0.9182 -0.6735 -0.7390 -0.0190 -0.6737 0.6242 -0.3955 13.408 87.105 -30.591 D 465 GLY A 71 GLY~? D 501 ASP A 158 ASP~? E 367 TYR A 79 TYR.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.03 A TRANSFORM -0.8680 0.3141 -0.3847 -0.4183 -0.8798 0.2256 0.2676 -0.3568 -0.8951 61.002 24.593 22.451 B 46 HIS A 64 HIS~? B 163 ALA A 54 ALA.? B 182 SER A 55 SER.? ULMNm 3 1avf_c04 GASTRICSIN user 1 3 RMSD = 1.06 A TRANSFORM 0.6891 0.4272 0.5854 -0.7212 0.3248 0.6119 -0.0713 0.8438 -0.5319 -52.222 -1.290 38.862 A 32 ASP A 14 ASP^? A 35 SER A 113 SER.? A 217 ASP A 92 ASP~? ULMNm 3 1avf_c05 GASTRICSIN user 1 3 RMSD = 1.07 A TRANSFORM 0.1607 -0.7570 0.6333 0.7444 -0.3283 -0.5814 -0.6481 -0.5649 -0.5108 -33.543 -14.775 64.007 J 32 ASP A 14 ASP^? J 35 SER A 113 SER.? J 217 ASP A 92 ASP~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.08 A TRANSFORM 0.8560 -0.4512 -0.2523 -0.4894 -0.5502 -0.6766 -0.1665 -0.7027 0.6918 47.699 36.895 68.958 A 198 GLY A 116 GLY~? A 228 SER A 113 SER.? A 549 ASP A 14 ASP^? ULMNm 3 1sme_c05 PLASMEPSIN II user 1 3 RMSD = 1.11 A TRANSFORM -0.9043 -0.2092 0.3721 -0.4224 0.3122 -0.8509 -0.0618 0.9267 0.3707 38.743 117.368 19.874 B 34 ASP A 14 ASP^? B 37 SER A 113 SER.? B 214 ASP A 92 ASP~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.18 A TRANSFORM 0.1947 -0.7728 -0.6040 -0.9793 -0.1186 -0.1639 -0.0550 -0.6234 0.7799 164.500 102.019 133.164 B1198 GLY A 116 GLY~? B1228 SER A 113 SER.? B1549 ASP A 14 ASP^? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 1 3 RMSD = 1.18 A TRANSFORM 0.5933 -0.6739 0.4404 0.2578 -0.3591 -0.8970 -0.7626 -0.6457 0.0393 11.778 48.869 66.568 34 ASP A 14 ASP^? 37 SER A 113 SER.? 216 ASP A 92 ASP~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.19 A TRANSFORM 0.3196 0.9197 0.2280 0.7828 -0.1207 -0.6105 0.5339 -0.3735 0.7585 -17.605 17.359 -44.472 A 465 GLY A 69 GLY~? A 501 ASP A 157 ASP~? B 367 TYR A 79 TYR.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.19 A TRANSFORM -0.3857 0.6532 0.6516 -0.7536 -0.6305 0.1860 -0.5323 0.4193 -0.7354 13.207 83.184 -22.559 D 465 GLY A 69 GLY~? D 501 ASP A 157 ASP~? E 367 TYR A 79 TYR.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.19 A TRANSFORM -0.5257 0.3209 -0.7878 0.8008 0.4993 -0.3309 -0.2872 0.8048 0.5194 57.234 -10.381 9.425 A 316 ALA A 87 ALA.? A 317 GLY A 89 GLY.? A 318 ASP A 90 ASP.? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 3 RMSD = 1.22 A TRANSFORM 0.8268 -0.5184 -0.2183 0.5400 0.8402 0.0502 -0.1574 0.1594 -0.9746 19.317 -24.595 52.366 32 ASP A 14 ASP^? 35 SER A 113 SER.? 215 ASP A 92 ASP~? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 1 3 RMSD = 1.24 A TRANSFORM 0.1438 0.2909 -0.9459 -0.6298 0.7642 0.1392 -0.7633 -0.5757 -0.2931 -6.009 52.884 86.498 A 32 ASP A 14 ASP^? A 35 SER A 113 SER.? A 215 ASP A 92 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 1 3 RMSD = 1.24 A TRANSFORM -0.8328 0.4930 0.2518 0.3759 0.1696 0.9110 -0.4064 -0.8533 0.3266 43.012 24.891 133.149 35 ASP A 14 ASP^? 38 SER A 113 SER.? 218 ASP A 92 ASP~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.26 A TRANSFORM -0.8994 0.2317 0.3707 0.4371 0.4805 0.7603 0.0019 -0.8458 0.5335 50.849 3.028 15.431 199 ASP A 31 ASP~? 242 GLU A 73 GLU^? 329 ASP A 158 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 16 3 RMSD = 1.27 A TRANSFORM -0.5540 -0.7766 -0.3000 -0.8144 0.4306 0.3891 0.1730 -0.4599 0.8710 62.829 32.996 75.581 A 241 ASP A 117 ASP~? A 265 GLU A 101 GLU~? A 369 ASP A 90 ASP.? ULMNm 3 1am5_c04 PEPSIN user 1 3 RMSD = 1.27 A TRANSFORM 0.7831 -0.5795 -0.2258 0.0293 0.3970 -0.9173 -0.6213 -0.7117 -0.3279 -5.921 16.246 188.313 32 ASP A 14 ASP^? 35 SER A 113 SER.? 215 ASP A 92 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.28 A TRANSFORM -0.9148 -0.0236 0.4032 -0.0018 -0.9980 -0.0624 -0.4039 0.0578 -0.9130 7.892 28.213 24.057 141 ASP A 159 ASP~? 166 GLY A 71 GLY~? 169 GLU A 73 GLU^? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 1 3 RMSD = 1.28 A TRANSFORM -0.0584 -0.9257 -0.3738 -0.9933 0.0164 0.1147 0.1001 -0.3780 0.9204 46.156 56.002 0.739 P 32 ASP A 14 ASP^? P 35 SER A 113 SER.? P 215 ASP A 92 ASP~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.28 A TRANSFORM 0.4427 0.7023 0.5575 0.8566 -0.5150 -0.0313 -0.2651 -0.4914 0.8296 6.809 28.838 19.102 199 ASP A 14 ASP^? 242 GLU A 44 GLU^? 329 ASP A 90 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 13 3 RMSD = 1.28 A TRANSFORM -0.0465 -0.9698 -0.2394 -0.8755 -0.0758 0.4773 0.4810 -0.2317 0.8455 51.946 50.403 58.334 A 241 ASP A 115 ASP~? A 265 GLU A 101 GLU~? A 369 ASP A 90 ASP.? ULMNm 3 1sme_c04 PLASMEPSIN II user 1 3 RMSD = 1.29 A TRANSFORM -0.1154 -0.2984 0.9474 -0.9570 0.2889 -0.0256 0.2661 0.9097 0.3189 43.236 77.096 -20.701 A 34 ASP A 14 ASP^? A 37 SER A 113 SER.? A 214 ASP A 92 ASP~? ULMNm 3 1bbs_c07 RENIN user 1 3 RMSD = 1.30 A TRANSFORM -0.6323 0.7672 0.1077 -0.4660 -0.4877 0.7382 -0.6189 -0.4166 -0.6659 52.976 56.169 120.690 32 ASP A 14 ASP^? 35 SER A 113 SER.? 215 ASP A 92 ASP~? ULMNm 3 1bbs_c06 RENIN user 1 3 RMSD = 1.30 A TRANSFORM -0.6323 0.7672 0.1077 -0.4660 -0.4877 0.7382 -0.6189 -0.4166 -0.6659 52.976 56.169 120.690 32 ASP A 14 ASP^? 35 SER A 113 SER.? 215 ASP A 92 ASP~? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 1 3 RMSD = 1.32 A TRANSFORM -0.8488 -0.5201 -0.0951 -0.1363 0.3892 -0.9110 -0.5108 0.7603 0.4013 65.194 24.642 -0.424 E 33 ASP A 14 ASP^? E 36 SER A 113 SER.? E 213 ASP A 92 ASP~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 1 3 RMSD = 1.33 A TRANSFORM 0.3603 -0.7389 -0.5694 -0.1446 -0.6473 0.7484 0.9216 0.1873 0.3401 71.325 28.974 -27.739 A 32 ASP A 14 ASP^? A 35 SER A 113 SER.? A 218 ASP A 92 ASP~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 1 3 RMSD = 1.34 A TRANSFORM -0.5593 -0.6954 0.4513 0.6164 -0.7128 -0.3346 -0.5544 -0.0911 -0.8273 36.878 29.058 107.428 32 ASP A 14 ASP^? 35 SER A 113 SER.? 215 ASP A 92 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.34 A TRANSFORM 0.3171 -0.8991 0.3019 -0.1317 -0.3570 -0.9248 -0.9392 -0.2535 0.2316 154.555 61.319 29.082 A 316 ALA A 87 ALA.? A 317 GLY A 89 GLY.? A 318 ASP A 90 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.35 A TRANSFORM 0.6580 -0.7240 -0.2070 -0.5479 -0.6489 0.5279 0.5166 0.2340 0.8237 20.514 58.366 42.717 A 241 ASP A 14 ASP^? A 265 GLU A 101 GLU~? A 369 ASP A 90 ASP.? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.37 A TRANSFORM 0.0959 0.9929 -0.0705 0.9655 -0.1100 -0.2361 0.2422 0.0454 0.9692 -36.215 -19.274 -38.241 B 35 GLU A 7 GLU^? B 44 ASP A 151 ASP.? B 50 THR A 134 THR^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.38 A TRANSFORM -0.7928 0.3303 0.5122 -0.6055 -0.3313 -0.7236 0.0694 0.8838 -0.4627 17.110 29.754 -66.446 B 250 ALA A 87 ALA.? B 251 GLY A 89 GLY.? B 252 ASP A 90 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 14 3 RMSD = 1.38 A TRANSFORM 0.2530 0.3692 0.8943 0.0202 0.9221 -0.3864 0.9673 -0.1158 -0.2258 -30.171 8.850 65.424 A 241 ASP A 117 ASP~? A 265 GLU A 24 GLU~? A 369 ASP A 90 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 6 3 RMSD = 1.38 A TRANSFORM -0.6462 -0.6801 -0.3462 0.7141 -0.3789 -0.5887 -0.2692 0.6277 -0.7305 63.072 41.805 84.972 A 241 ASP A 90 ASP.? A 265 GLU A 24 GLU~? A 369 ASP A 117 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.40 A TRANSFORM 0.3623 0.0842 0.9283 0.9036 -0.2758 -0.3277 -0.2285 -0.9575 0.1760 -15.188 -27.941 30.309 A 250 ALA A 87 ALA.? A 251 GLY A 89 GLY.? A 252 ASP A 90 ASP.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.41 A TRANSFORM 0.2326 0.9424 0.2404 0.8235 -0.0594 -0.5642 0.5175 -0.3292 0.7899 -14.510 13.870 -45.127 A 465 GLY A 69 GLY~? A 501 ASP A 159 ASP~? B 367 TYR A 79 TYR.? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 3 3 RMSD = 1.42 A TRANSFORM 0.0928 -0.9231 0.3732 0.0923 0.3812 0.9199 0.9914 0.0509 -0.1206 56.163 32.370 1.981 A 228 ASP A 117 ASP~? A 261 ASP A 84 ASP.? A 329 ASP A 90 ASP.? ULMNm 3 1sme_c05 PLASMEPSIN II user 2 3 RMSD = 1.42 A TRANSFORM -0.8881 -0.3486 -0.2994 0.3214 -0.9369 0.1375 0.3285 -0.0259 -0.9442 57.637 119.145 69.087 B 34 ASP A 115 ASP~? B 37 SER A 113 SER.? B 214 ASP A 92 ASP~? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.43 A TRANSFORM 0.3364 -0.1394 -0.9313 -0.7466 0.5632 -0.3540 -0.5739 -0.8145 -0.0854 7.111 -25.909 6.865 A 35 GLU A 7 GLU^? A 44 ASP A 151 ASP.? A 50 THR A 134 THR^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.43 A TRANSFORM 0.8430 -0.2298 0.4864 0.4954 -0.0209 -0.8684 -0.2098 -0.9730 -0.0962 6.410 76.749 72.829 A 228 ASP A 117 ASP~? A 260 ASP A 98 ASP~? A 329 ASP A 90 ASP.? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 14 3 RMSD = 1.43 A TRANSFORM -0.6024 -0.0011 0.7982 -0.4156 -0.8533 -0.3148 -0.6815 0.5214 -0.5136 20.183 67.896 13.022 I 303 TYR A 136 TYR^? I 306 VAL A 135 VAL^? I 308 VAL A 109 VAL^? ULMNm 3 1qrz_c15 PLASMINOGEN user 1 3 RMSD = 1.43 A TRANSFORM -0.3828 0.9047 0.1871 -0.1045 0.1588 -0.9818 0.9179 0.3954 -0.0337 -65.561 -16.183 22.232 D 603 HIS A 5 HIS.? D 646 ASP A 107 ASP.? D 741 SER A 3 SER.? ULMNm 3 2c3x_p00 ALPHA-AMYLASE G-6 user 1 3 RMSD = 1.45 A TRANSFORM 0.6879 -0.2577 -0.6785 0.0913 -0.8967 0.4332 0.7201 0.3599 0.5933 1.431 45.414 24.704 A 26 HIS A 64 HIS~? A 76 ASN A 56 ASN.? A 81 ASP A 57 ASP~? ULMNm 3 3hde_o02 LYSOZYME user 3 3 RMSD = 1.47 A TRANSFORM -0.0997 -0.6383 0.7633 -0.7222 0.5742 0.3858 0.6845 0.5127 0.5182 37.325 -15.618 -42.762 C 35 GLU A 123 GLU~? C 44 ASP A 148 ASP~? C 50 THR A 145 THR~? ULMNm 3 1qrz_c12 PLASMINOGEN user 1 3 RMSD = 1.47 A TRANSFORM -0.9937 -0.0894 0.0676 0.0870 -0.2343 0.9683 0.0707 -0.9681 -0.2406 -1.718 12.173 53.648 A 603 HIS A 5 HIS.? A 646 ASP A 107 ASP.? A 741 SER A 3 SER.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.47 A TRANSFORM -0.4725 0.6217 0.6247 -0.7111 -0.6877 0.1466 -0.5207 0.3749 -0.7670 17.831 82.981 -21.693 D 465 GLY A 69 GLY~? D 501 ASP A 159 ASP~? E 367 TYR A 79 TYR.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.48 A TRANSFORM -0.8526 0.5219 0.0269 0.5133 0.8266 0.2310 -0.0984 -0.2108 0.9726 48.391 -8.381 5.324 A 229 ALA A 48 ALA^? A 257 ALA A 10 ALA^? A 328 ASP A 98 ASP~? ULMNm 3 1sme_c04 PLASMEPSIN II user 2 3 RMSD = 1.49 A TRANSFORM -0.7140 0.6247 -0.3161 -0.4442 -0.7532 -0.4852 0.5412 0.2061 -0.8153 54.610 108.717 19.185 A 34 ASP A 115 ASP~? A 37 SER A 113 SER.? A 214 ASP A 92 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 RMSD = 1.50 A TRANSFORM -0.6309 -0.6898 -0.3552 -0.7615 0.6381 0.1133 -0.1485 -0.3419 0.9279 81.364 31.340 0.640 A 229 ALA A 52 ALA^? A 257 ALA A 50 ALA^? A 328 ASP A 14 ASP^?