*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 0.87 A TRANSFORM 0.7852 -0.5726 0.2358 -0.4568 -0.7926 -0.4039 -0.4181 -0.2094 0.8839 47.288 65.174 42.459 A 229 ALA A 131 ALA~? A 257 ALA A 135 ALA~? A 328 ASP A 100 ASP~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 0.92 A TRANSFORM -0.1259 -0.9873 -0.0968 -0.9215 0.1525 -0.3572 -0.3674 -0.0442 0.9290 65.332 11.154 53.804 30 GLY A 85 GLY~? 48 HIS A 94 HIS~? 99 ASP A 64 ASP~? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 1 3 RMSD = 1.01 A TRANSFORM -0.1935 0.9807 -0.0296 -0.9398 -0.1939 -0.2812 0.2815 0.0266 -0.9592 -38.096 32.230 -9.887 86 HIS A 94 HIS~? 89 GLU A 93 GLU~? 243 ASN A 44 ASN~? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.14 A TRANSFORM -0.2492 -0.9086 0.3351 -0.6689 0.4118 0.6189 0.7004 0.0699 0.7103 122.791 50.842 -44.264 233 ASN A 122 ASN.? 457 GLY A 115 GLY~? 459 GLU A 117 GLU~? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 3 3 RMSD = 1.16 A TRANSFORM -0.7600 0.6142 -0.2125 -0.3166 -0.6355 -0.7042 0.5675 0.4679 -0.6775 -17.567 35.322 -28.119 86 HIS A 94 HIS~? 89 GLU A 93 GLU~? 243 ASN A 77 ASN.? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.31 A TRANSFORM 0.6124 -0.4390 0.6575 0.4480 0.8779 0.1690 0.6514 -0.1911 -0.7343 42.856 10.599 9.179 179 ASP A 21 ASP~? 214 ASP A 109 ASP~? 289 ASP A 55 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.34 A TRANSFORM 0.4780 0.3340 -0.8124 -0.3852 -0.7515 -0.5356 0.7894 -0.5690 0.2306 4.603 33.127 28.483 A 67 ASP A 100 ASP~? A 68 ALA A 98 ALA~? A 72 LEU A 78 LEU~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 3 3 RMSD = 1.34 A TRANSFORM -0.1690 -0.4630 -0.8701 0.1736 0.8550 -0.4887 -0.9702 0.2337 0.0641 31.611 9.766 117.217 A 270 ASN A 92 ASN~? A 384 ASN A 162 ASN~? A 385 GLU A 159 GLU~? ULMNm 3 1i29_c03 CSDB user 4 3 RMSD = 1.34 A TRANSFORM -0.1541 0.0257 -0.9877 -0.9407 -0.3096 0.1387 0.3022 -0.9505 -0.0719 -3.952 77.274 38.358 A 128 VAL A 81 VAL~? A 200 ASP A 73 ASP~? A 226 LYS A 40 LYS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.35 A TRANSFORM 0.9993 0.0072 0.0375 -0.0124 0.9900 0.1402 0.0361 0.1406 -0.9894 -30.201 -34.936 -24.272 141 ASP A 144 ASP~? 166 GLY A 85 GLY~? 169 GLU A 93 GLU~? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.37 A TRANSFORM -0.1821 -0.8809 0.4369 -0.6642 -0.2175 -0.7153 -0.7251 0.4204 0.5454 91.173 57.907 80.390 B 107 ASP A 64 ASP~? B 246 ASP A 100 ASP~? B 275 HIS A 94 HIS~? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.42 A TRANSFORM -0.8227 0.3868 0.4165 0.4895 0.1098 0.8650 -0.2889 -0.9156 0.2797 36.038 29.369 137.178 D 107 ASP A 64 ASP~? D 246 ASP A 100 ASP~? D 275 HIS A 94 HIS~? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 3 3 RMSD = 1.43 A TRANSFORM 0.9339 0.1825 -0.3073 -0.2594 0.9376 -0.2315 -0.2459 -0.2959 -0.9230 -23.450 -14.811 68.681 C 107 ASP A 64 ASP~? C 246 ASP A 100 ASP~? C 275 HIS A 94 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.45 A TRANSFORM -0.0007 0.7497 -0.6618 -0.5090 -0.5700 -0.6450 0.8608 -0.3364 -0.3820 -62.431 26.492 -1.250 141 ASP A 21 ASP~? 166 GLY A 67 GLY~? 169 GLU A 93 GLU~? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 RMSD = 1.46 A TRANSFORM -0.3471 -0.9157 0.2024 -0.9248 0.3701 0.0881 0.1556 0.1566 0.9753 64.435 24.315 38.608 E 57 HIS A 94 HIS~? E 102 ASP A 64 ASP~? E 193 GLY A 85 GLY~? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.46 A TRANSFORM 0.9144 0.4010 0.0564 0.0476 -0.2448 0.9684 -0.4021 0.8828 0.2429 18.201 83.252 55.242 C 95 ASP A 141 ASP~? C 117 GLU A 142 GLU~? C 131 GLU A 112 GLU~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.47 A TRANSFORM 0.9110 -0.2732 0.3090 -0.1558 -0.9216 -0.3554 -0.3819 -0.2756 0.8821 45.853 119.056 79.659 A 228 ASP A 21 ASP~? A 261 ASP A 64 ASP~? A 329 ASP A 55 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.49 A TRANSFORM 0.0002 0.8249 0.5653 -0.3221 0.5352 -0.7809 0.9467 0.1819 -0.2658 22.898 -17.755 -30.180 A 67 ASP A 141 ASP~? A 68 ALA A 145 ALA~? A 72 LEU A 148 LEU~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 RMSD = 1.49 A TRANSFORM 0.4080 -0.5444 -0.7329 -0.4956 0.5422 -0.6786 -0.7668 -0.6401 0.0486 18.580 -4.215 53.040 A 10 ASP A 64 ASP~? A 186 ASN A 92 ASN~? A 260 ALA A 98 ALA~?