*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 0.93 A TRANSFORM 0.3096 -0.3684 -0.8766 0.0359 0.9258 -0.3764 0.9502 0.0851 0.2998 56.689 -5.260 -6.802 A 67 ASP A 18 ASP~? A 68 ALA A 15 ALA~? A 72 LEU A 32 LEU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 0.95 A TRANSFORM 0.6753 -0.5155 0.5275 0.3026 -0.4586 -0.8356 0.6726 0.7239 -0.1537 -4.568 61.997 28.670 179 ASP A 84 ASP.? 227 GLU A 8 GLU~? 289 ASP A 113 ASP.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.99 A TRANSFORM -0.0634 -0.9912 0.1163 0.9738 -0.0359 0.2247 -0.2186 0.1275 0.9674 51.056 -90.529 -132.685 A 183 GLY A 63 GLY~? B 419 GLY A 64 GLY.? B 420 ALA A 21 ALA~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 8 3 RMSD = 1.08 A TRANSFORM 0.4172 -0.1581 0.8950 -0.7886 -0.5525 0.2700 0.4518 -0.8184 -0.3551 51.637 29.339 21.272 A 67 ASP A 51 ASP^? A 68 ALA A 54 ALA~? A 72 LEU A 55 LEU~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 3 3 RMSD = 1.13 A TRANSFORM 0.0358 0.9053 -0.4232 0.9293 0.1256 0.3473 0.3676 -0.4057 -0.8368 -7.808 -19.634 -12.439 14 ASP A 112 ASP.? 16 HIS A 110 HIS^? 67 GLY A 56 GLY~? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.14 A TRANSFORM 0.1171 -0.9885 0.0960 0.9846 0.1282 0.1187 -0.1297 0.0806 0.9883 26.988 83.196 29.898 A 137 ARG A 103 ARG^? A 141 THR A 44 THR.? A 235 ASP A 74 ASP^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.14 A TRANSFORM 0.8649 -0.3716 0.3374 -0.3404 -0.9283 -0.1498 0.3688 0.0147 -0.9294 -5.217 65.356 26.556 179 ASP A 84 ASP.? 227 GLU A 38 GLU^? 289 ASP A 113 ASP.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.21 A TRANSFORM -0.4312 -0.0133 0.9022 0.8450 -0.3566 0.3986 0.3165 0.9342 0.1650 24.481 -71.457 -128.555 A 183 GLY A 82 GLY^? B 419 GLY A 85 GLY^? B 420 ALA A 86 ALA^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.21 A TRANSFORM 0.6534 0.7242 -0.2205 0.1380 0.1724 0.9753 0.7443 -0.6677 0.0127 39.323 -105.072 -131.176 A 420 ALA A 80 ALA^? B 182 GLY A 85 GLY^? B 183 GLY A 82 GLY^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.21 A TRANSFORM 0.4130 -0.4305 0.8025 0.0214 0.8856 0.4640 -0.9105 -0.1745 0.3750 19.189 -3.187 61.060 A 316 ALA A 21 ALA~? A 317 GLY A 22 GLY~? A 318 ASP A 23 ASP.? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.23 A TRANSFORM -0.2003 0.9769 -0.0747 0.9794 0.1976 -0.0415 -0.0257 -0.0815 -0.9963 -28.622 82.049 107.903 D 137 ARG A 103 ARG^? D 141 THR A 44 THR.? D 235 ASP A 74 ASP^? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 1 3 RMSD = 1.24 A TRANSFORM 0.3020 -0.9510 -0.0662 -0.9353 -0.3090 0.1725 -0.1845 0.0098 -0.9828 41.011 145.787 9.720 A 85 GLU A 72 GLU^? A 87 ASP A 74 ASP^? A 89 GLU A 76 GLU^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.24 A TRANSFORM -0.2798 0.7044 -0.6523 0.6164 -0.3891 -0.6846 -0.7361 -0.5936 -0.3253 17.943 -22.317 -43.879 B 250 ALA A 86 ALA^? B 251 GLY A 85 GLY^? B 252 ASP A 84 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.25 A TRANSFORM -0.1326 -0.9696 0.2055 0.0562 0.1997 0.9782 -0.9896 0.1412 0.0280 50.534 6.249 59.301 A 316 ALA A 21 ALA~? A 317 GLY A 22 GLY~? A 318 ASP A 18 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.26 A TRANSFORM -0.3791 0.7057 0.5986 0.1710 -0.5823 0.7948 0.9094 0.4036 0.1001 25.370 -18.082 -8.089 A 250 ALA A 86 ALA^? A 251 GLY A 85 GLY^? A 252 ASP A 84 ASP.? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.28 A TRANSFORM 0.0402 -0.3402 0.9395 0.4915 -0.8119 -0.3150 0.8699 0.4745 0.1346 -33.935 22.425 57.132 A 67 GLU A 76 GLU^? A 89 GLU A 92 GLU^? A 120 SER A 105 SER^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.28 A TRANSFORM -0.5492 0.7945 -0.2591 -0.7946 -0.5925 -0.1324 -0.2587 0.1331 0.9567 63.419 39.510 18.283 199 ASP A 113 ASP.? 218 GLU A 57 GLU~? 329 ASP A 84 ASP.? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 1 3 RMSD = 1.29 A TRANSFORM 0.6157 -0.7702 -0.1667 0.3962 0.4855 -0.7793 0.6811 0.4137 0.6041 44.535 25.189 4.396 A 49 GLU A 8 GLU~? A 60 ASP A 112 ASP.? A 175 TYR A 5 TYR~? ULMNm 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 1 3 RMSD = 1.29 A TRANSFORM -0.1991 -0.9794 0.0333 -0.9242 0.1990 0.3259 -0.3258 0.0341 -0.9448 39.102 173.918 21.374 B 85 GLU A 72 GLU^? B 87 ASP A 74 ASP^? B 89 GLU A 76 GLU^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 1.30 A TRANSFORM 0.7078 0.3068 0.6363 0.5971 -0.7412 -0.3067 0.3775 0.5970 -0.7078 139.516 18.073 -4.500 A 316 ALA A 86 ALA^? A 317 GLY A 85 GLY^? A 318 ASP A 84 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.30 A TRANSFORM 0.3179 0.1564 -0.9351 0.9434 -0.1507 0.2955 -0.0947 -0.9761 -0.1955 144.402 -2.158 23.114 A 316 ALA A 21 ALA~? A 317 GLY A 22 GLY~? A 318 ASP A 23 ASP.? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 1 3 RMSD = 1.31 A TRANSFORM -0.5437 -0.5400 -0.6425 0.3926 -0.8403 0.3739 -0.7418 -0.0490 0.6688 13.525 23.829 -0.175 A 14 GLU A 8 GLU~? A 61 GLU A 76 GLU^? A 162 HIS A 11 HIS~? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.32 A TRANSFORM 0.2278 -0.0420 0.9728 0.5867 -0.7915 -0.1716 0.7771 0.6098 -0.1556 3.226 15.839 5.983 A 16 TYR A 5 TYR~? A 40 ASP A 112 ASP.? A 103 LEU A 117 LEU^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.34 A TRANSFORM -0.7668 0.3344 -0.5480 0.4858 0.8602 -0.1550 0.4195 -0.3850 -0.8220 41.859 -45.225 5.443 A 250 ALA A 21 ALA~? A 251 GLY A 22 GLY~? A 252 ASP A 23 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.34 A TRANSFORM 0.3400 0.7655 0.5462 -0.8933 0.0813 0.4421 0.2941 -0.6382 0.7115 13.194 42.509 77.600 A 241 ASP A 84 ASP.? A 265 GLU A 38 GLU^? A 369 ASP A 113 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.35 A TRANSFORM -0.6556 -0.7520 0.0684 0.7383 -0.6193 0.2671 -0.1585 0.2256 0.9612 47.420 -27.150 -61.223 B 250 ALA A 21 ALA~? B 251 GLY A 22 GLY~? B 252 ASP A 23 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.37 A TRANSFORM 0.7477 0.5041 -0.4323 0.6160 -0.7697 0.1679 -0.2481 -0.3918 -0.8860 121.143 20.970 20.616 A 316 ALA A 21 ALA~? A 317 GLY A 22 GLY~? A 318 ASP A 18 ASP~? ULMNm 3 2ayh_c00 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROuser 1 3 RMSD = 1.38 A TRANSFORM -0.5445 -0.1638 -0.8226 0.0069 -0.9816 0.1910 -0.8387 0.0983 0.5356 36.607 29.447 3.974 105 GLU A 72 GLU^? 107 ASP A 74 ASP^? 109 GLU A 76 GLU^? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.38 A TRANSFORM -0.1249 0.9858 -0.1124 -0.9845 -0.1372 -0.1094 -0.1232 0.0970 0.9876 -26.728 78.088 29.635 C 137 ARG A 103 ARG^? C 141 THR A 44 THR.? C 235 ASP A 74 ASP^? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 1 3 RMSD = 1.38 A TRANSFORM -0.1495 0.8954 0.4195 0.9206 -0.0287 0.3894 0.3606 0.4444 -0.8200 -10.358 -8.063 -18.152 A 54 GLU A 8 GLU~? A 65 ARG A 111 ARG^? A 85 HIS A 110 HIS^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.38 A TRANSFORM 0.4107 -0.9020 0.1333 -0.1898 -0.2276 -0.9551 0.8918 0.3670 -0.2647 50.947 44.642 19.784 A 316 ALA A 98 ALA.? A 317 GLY A 99 GLY^? A 318 ASP A 96 ASP^? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.39 A TRANSFORM 0.5523 -0.7088 -0.4387 0.1465 -0.4356 0.8882 -0.8206 -0.5548 -0.1367 -13.259 0.401 55.196 A 603 HIS A 13 HIS~? A 646 ASP A 18 ASP~? A 739 GLY A 56 GLY~? ULMNm 3 4dqk_o00 BIFUNCTIONAL P-450/NADPH-P450 REDUCTuser 1 3 RMSD = 1.39 A TRANSFORM -0.4923 -0.1651 0.8546 0.7045 0.5011 0.5026 -0.5112 0.8495 -0.1303 81.196 26.981 18.319 A 966 SER A 105 SER^? A 967 ARG A 103 ARG^? A 975 TYR A 90 TYR^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.40 A TRANSFORM 0.9893 0.0234 -0.1441 -0.0225 0.9997 0.0074 0.1443 -0.0040 0.9895 -12.960 -23.080 -23.665 14 ASP A 74 ASP^? 16 HIS A 10 HIS~? 67 GLY A 22 GLY~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.41 A TRANSFORM -0.7851 -0.1279 -0.6060 0.3267 -0.9168 -0.2298 -0.5262 -0.3784 0.7615 43.285 -5.528 -36.743 B 250 ALA A 21 ALA~? B 251 GLY A 22 GLY~? B 252 ASP A 18 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.43 A TRANSFORM -0.8468 0.5162 0.1287 -0.4610 -0.8327 0.3066 0.2654 0.2002 0.9431 53.120 31.378 -5.936 A 67 ASP A 23 ASP.? A 68 ALA A 21 ALA~? A 72 LEU A 69 LEU.? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.43 A TRANSFORM 0.0921 -0.1777 0.9798 -0.5872 0.7849 0.1976 -0.8041 -0.5936 -0.0321 6.431 20.306 43.555 B 16 TYR A 5 TYR~? B 40 ASP A 112 ASP.? B 103 LEU A 117 LEU^? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.44 A TRANSFORM -0.0825 -0.2495 0.9649 -0.9964 0.0397 -0.0749 -0.0196 -0.9676 -0.2519 -13.664 1.672 92.090 B 156 HIS A 10 HIS~? B 208 ASP A 18 ASP~? B 296 SER A 41 SER^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.44 A TRANSFORM -0.2937 0.9404 -0.1713 0.7125 0.3348 0.6167 0.6373 0.0590 -0.7684 13.019 -46.632 -10.351 A 250 ALA A 21 ALA~? A 251 GLY A 22 GLY~? A 252 ASP A 18 ASP~? ULMNm 3 1cns_c01 CHITINASE user 1 3 RMSD = 1.45 A TRANSFORM -0.0583 0.9359 -0.3474 -0.4882 -0.3303 -0.8078 -0.8708 0.1225 0.4762 3.991 -0.386 39.970 B 67 GLU A 76 GLU^? B 89 GLU A 92 GLU^? B 120 SER A 105 SER^? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.46 A TRANSFORM 0.9436 0.3266 -0.0544 -0.1819 0.3741 -0.9094 -0.2767 0.8680 0.4124 -69.961 -4.704 33.235 D 603 HIS A 13 HIS~? D 646 ASP A 18 ASP~? D 739 GLY A 56 GLY~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.46 A TRANSFORM 0.1033 -0.8561 -0.5063 0.3706 0.5055 -0.7792 0.9230 -0.1072 0.3695 61.614 12.389 25.789 A 316 ALA A 97 ALA.? A 317 GLY A 99 GLY^? A 318 ASP A 96 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 5 3 RMSD = 1.46 A TRANSFORM -0.8245 0.4324 0.3650 -0.3625 -0.8989 0.2461 0.4345 0.0706 0.8979 136.565 51.046 -22.707 A 316 ALA A 98 ALA.? A 317 GLY A 99 GLY^? A 318 ASP A 96 ASP^? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.46 A TRANSFORM -0.5743 -0.8035 -0.1569 -0.6472 0.5630 -0.5140 0.5013 -0.1937 -0.8433 33.098 48.543 41.381 A 107 ASP A 112 ASP.? A 246 ASP A 39 ASP^? A 275 HIS A 110 HIS^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.48 A TRANSFORM -0.9144 0.3869 0.1189 0.4010 0.8263 0.3954 0.0547 0.4093 -0.9108 43.353 71.917 30.861 A 228 ASP A 113 ASP.? A 261 ASP A 39 ASP^? A 329 ASP A 84 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.48 A TRANSFORM -0.0940 0.4037 -0.9100 -0.7506 0.5717 0.3312 0.6540 0.7142 0.2493 44.751 35.985 -23.500 A 229 ALA A 26 ALA.? A 257 ALA A 28 ALA~? A 328 ASP A 18 ASP~? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 4 3 RMSD = 1.50 A TRANSFORM 0.5625 -0.7895 0.2455 0.7874 0.4210 -0.4503 0.2521 0.4466 0.8585 -6.121 103.223 6.534 B 197 ARG A 91 ARG^? B 201 HIS A 13 HIS~? B 204 HIS A 10 HIS~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.50 A TRANSFORM 0.0119 0.9701 -0.2424 -0.8368 -0.1230 -0.5335 -0.5474 0.2092 0.8103 -3.780 5.477 -12.845 A 250 ALA A 98 ALA.? A 251 GLY A 99 GLY^? A 252 ASP A 96 ASP^?