*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 24 3 RMSD = 0.89 A TRANSFORM -0.2878 -0.9108 -0.2958 0.9156 -0.3523 0.1939 -0.2808 -0.2151 0.9354 53.172 25.194 36.670 A 130 ASP F 35 ASP~? A 153 ASN F 32 ASN~? A 189 GLN B 33 GLN~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 12 3 RMSD = 0.97 A TRANSFORM -0.8992 0.3633 -0.2439 -0.1874 -0.8234 -0.5356 -0.3954 -0.4359 0.8085 71.445 125.036 16.289 A 228 ASP C 35 ASP~? A 260 ASP E 37 ASP~? A 329 ASP D 37 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.06 A TRANSFORM 0.4147 -0.4943 0.7640 0.5305 0.8135 0.2384 -0.7393 0.3064 0.5996 -32.453 -14.344 -5.214 B 99 ARG A 40 ARG~? B 101 ASP A 37 ASP~? B 132 ASP B 35 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.06 A TRANSFORM -0.4403 0.4948 -0.7492 -0.6158 -0.7737 -0.1491 -0.6534 0.3957 0.6453 55.185 36.821 -9.611 A 99 ARG A 40 ARG~? A 101 ASP A 37 ASP~? A 132 ASP B 35 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.10 A TRANSFORM -0.4361 0.5023 -0.7466 -0.6005 -0.7804 -0.1743 -0.6702 0.3724 0.6420 54.872 37.830 -9.109 A 99 ARG A 40 ARG~? A 101 ASP A 37 ASP~? A 132 ASP B 35 ASP~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.11 A TRANSFORM 0.4242 -0.5113 0.7474 0.5395 0.8056 0.2448 -0.7273 0.2994 0.6176 -31.779 -14.997 -6.251 B 99 ARG A 40 ARG~? B 101 ASP A 37 ASP~? B 132 ASP B 35 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.11 A TRANSFORM -0.1238 0.6469 0.7524 -0.9161 -0.3658 0.1639 0.3813 -0.6691 0.6380 -33.742 45.144 -23.862 B 99 ARG C 40 ARG~? B 101 ASP C 37 ASP~? B 132 ASP E 35 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.11 A TRANSFORM 0.1433 -0.6618 -0.7359 0.9559 0.2850 -0.0702 0.2562 -0.6934 0.6735 55.372 -24.595 -20.443 A 99 ARG C 40 ARG~? A 101 ASP C 37 ASP~? A 132 ASP E 35 ASP~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 30 3 RMSD = 1.12 A TRANSFORM -0.6478 0.7080 -0.2814 -0.4892 -0.6697 -0.5587 -0.5840 -0.2243 0.7802 54.667 112.559 5.646 A 228 ASP F 35 ASP~? A 260 ASP A 37 ASP~? A 329 ASP B 37 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.15 A TRANSFORM 0.1343 -0.6655 -0.7342 0.9491 0.2993 -0.0977 0.2848 -0.6837 0.6719 55.639 -23.158 -21.749 A 99 ARG C 40 ARG~? A 101 ASP C 37 ASP~? A 132 ASP E 35 ASP~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.15 A TRANSFORM -0.1200 0.6663 0.7360 -0.9192 -0.3547 0.1712 0.3751 -0.6560 0.6550 -33.437 44.490 -24.676 B 99 ARG C 40 ARG~? B 101 ASP C 37 ASP~? B 132 ASP E 35 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 RMSD = 1.15 A TRANSFORM -0.6557 -0.1215 0.7452 0.3955 -0.8960 0.2019 0.6432 0.4271 0.6355 -11.760 -6.658 -33.312 B 99 ARG B 40 ARG~? B 101 ASP B 37 ASP~? B 132 ASP F 35 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 RMSD = 1.16 A TRANSFORM 0.6703 0.1427 -0.7282 -0.3175 0.9421 -0.1076 0.6707 0.3034 0.6768 33.576 25.797 -35.955 A 99 ARG B 40 ARG~? A 101 ASP B 37 ASP~? A 132 ASP F 35 ASP~? ULMNm 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.18 A TRANSFORM -0.1132 -0.5837 0.8040 0.9794 -0.2016 -0.0085 0.1671 0.7865 0.5945 -35.606 -8.851 -29.842 A 21 GLN A 49 GLN~? A 41 TYR A 48 TYR~? A 43 ASN A 46 ASN~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 6 3 RMSD = 1.19 A TRANSFORM -0.3152 -0.1086 -0.9428 0.7814 -0.5934 -0.1929 -0.5385 -0.7975 0.2719 19.298 -12.642 17.359 A 18 SER B 15 SER~? A 20 HIS A 18 HIS~? A 22 LEU A 21 LEU~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 RMSD = 1.19 A TRANSFORM 0.6731 0.1334 -0.7275 -0.3316 0.9336 -0.1356 0.6611 0.3325 0.6726 33.425 27.503 -35.667 A 99 ARG B 40 ARG~? A 101 ASP B 37 ASP~? A 132 ASP F 35 ASP~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 RMSD = 1.19 A TRANSFORM -0.6746 -0.1193 0.7284 0.3844 -0.8993 0.2087 0.6302 0.4208 0.6525 -10.576 -6.957 -33.829 B 99 ARG B 40 ARG~? B 101 ASP B 37 ASP~? B 132 ASP F 35 ASP~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 23 3 RMSD = 1.19 A TRANSFORM 0.7529 0.6147 -0.2353 -0.6148 0.5293 -0.5846 -0.2348 0.5848 0.7765 -0.913 118.814 -8.932 A 228 ASP E 35 ASP~? A 260 ASP D 37 ASP~? A 329 ASP C 37 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 8 3 RMSD = 1.19 A TRANSFORM -0.5376 -0.4069 0.7385 0.7558 -0.6209 0.2080 0.3739 0.6700 0.6413 4.669 -19.919 -49.392 B 99 ARG D 40 ARG~? B 101 ASP D 37 ASP~? B 132 ASP C 35 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 8 3 RMSD = 1.19 A TRANSFORM 0.5413 0.4323 -0.7212 -0.7085 0.6964 -0.1142 0.4528 0.5728 0.6832 16.788 37.179 -53.140 A 99 ARG D 40 ARG~? A 101 ASP D 37 ASP~? A 132 ASP C 35 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 7 3 RMSD = 1.21 A TRANSFORM 0.5466 0.4255 -0.7213 -0.7163 0.6838 -0.1394 0.4339 0.5928 0.6785 16.630 39.042 -52.552 A 99 ARG D 40 ARG~? A 101 ASP D 37 ASP~? A 132 ASP C 35 ASP~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.21 A TRANSFORM 0.2865 -0.2484 -0.9253 0.1158 0.9677 -0.2239 0.9510 -0.0430 0.3060 6.975 -2.067 -15.406 A 18 SER A 15 SER~? A 20 HIS F 18 HIS~? A 22 LEU F 21 LEU~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 7 3 RMSD = 1.22 A TRANSFORM -0.5538 -0.4136 0.7226 0.7474 -0.6294 0.2125 0.3670 0.6578 0.6577 6.257 -19.824 -49.632 B 99 ARG D 40 ARG~? B 101 ASP D 37 ASP~? B 132 ASP C 35 ASP~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 22 3 RMSD = 1.22 A TRANSFORM 0.3529 -0.0700 -0.9331 -0.4309 0.8730 -0.2285 0.8306 0.4827 0.2779 0.505 4.423 -39.513 A 18 SER E 15 SER~? A 20 HIS C 18 HIS~? A 22 LEU C 21 LEU~? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 11 3 RMSD = 1.24 A TRANSFORM -0.5760 0.7974 0.1800 0.7119 0.5975 -0.3690 -0.4017 -0.0844 -0.9119 18.858 37.495 136.826 A 241 ASP F 37 ASP~? A 279 GLU E 45 GLU~? A 369 ASP A 35 ASP~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 7 3 RMSD = 1.24 A TRANSFORM -0.2679 -0.9186 -0.2906 0.8692 -0.1003 -0.4842 0.4156 -0.3823 0.8253 50.920 82.131 -15.709 A 228 ASP B 35 ASP~? A 260 ASP F 37 ASP~? A 329 ASP A 37 ASP~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 19 3 RMSD = 1.25 A TRANSFORM -0.2265 -0.2948 -0.9283 0.9740 -0.0632 -0.2176 0.0055 -0.9535 0.3015 28.487 -36.351 21.170 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 30 3 RMSD = 1.32 A TRANSFORM 0.1978 0.4081 -0.8913 -0.8800 -0.3267 -0.3449 -0.4319 0.8525 0.2945 6.517 23.794 11.010 A 18 SER F 15 SER~? A 20 HIS B 18 HIS~? A 22 LEU B 21 LEU~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 5 3 RMSD = 1.32 A TRANSFORM -0.6763 0.7223 0.1446 0.3780 0.1718 0.9097 0.6323 0.6699 -0.3893 84.705 8.837 122.194 A 50 ASP B 35 ASP~? A 327 GLU C 12 GLU~? A 339 ARG C 13 ARG~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 12 3 RMSD = 1.32 A TRANSFORM -0.0834 0.4010 -0.9123 -0.5640 -0.7737 -0.2885 -0.8215 0.4905 0.2907 9.091 42.087 28.515 A 18 SER C 15 SER~? A 20 HIS D 18 HIS~? A 22 LEU D 21 LEU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 33 3 RMSD = 1.33 A TRANSFORM -0.1224 0.7758 -0.6190 -0.6095 0.4334 0.6638 0.7833 0.4585 0.4198 69.342 21.578 7.210 A 50 GLN E 47 GLN~? A 91 LEU E 50 LEU~? A 133 GLU D 45 GLU~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.35 A TRANSFORM 0.2277 0.9448 -0.2357 -0.6912 0.3273 0.6443 0.6859 0.0162 0.7275 12.165 45.214 -12.800 179 ASP A 37 ASP~? 214 ASP D 35 ASP~? 289 ASP B 35 ASP~? ULMNm 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 13 3 RMSD = 1.39 A TRANSFORM -0.8047 0.4374 0.4013 0.3837 0.8991 -0.2106 -0.4529 -0.0155 -0.8914 13.066 -7.813 84.939 A 21 GLN E 47 GLN~? A 41 TYR E 48 TYR~? A 43 ASN E 46 ASN~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 7 3 RMSD = 1.40 A TRANSFORM 0.8192 0.5374 0.2000 -0.5671 0.8111 0.1431 -0.0853 -0.2306 0.9693 -61.868 42.324 55.927 B 34 SER D 19 SER~? B 37 ASN D 16 ASN~? B 45 THR F 23 THR~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 31 3 RMSD = 1.41 A TRANSFORM -0.9955 0.0887 -0.0328 -0.0906 -0.7945 0.6004 0.0272 0.6007 0.7990 75.612 20.848 2.989 A 50 GLN E 47 GLN~? A 91 LEU E 50 LEU~? A 133 GLU D 45 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 34 3 RMSD = 1.41 A TRANSFORM -0.7154 -0.5926 0.3702 0.6980 -0.6292 0.3419 0.0303 0.5030 0.8638 76.777 0.876 -23.303 C1050 GLN E 47 GLN~? C1091 LEU E 50 LEU~? C1133 GLU D 45 GLU~? ULMNm 3 3hde_o02 LYSOZYME user 5 3 RMSD = 1.42 A TRANSFORM -0.8855 0.2428 -0.3961 -0.2803 -0.9591 0.0387 -0.3705 0.1453 0.9174 58.296 26.189 3.594 C 35 GLU E 12 GLU~? C 44 ASP D 6 ASP~? C 50 THR D 9 THR~? ULMNm 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 7 3 RMSD = 1.42 A TRANSFORM 0.5787 0.6375 0.5086 -0.7547 0.6550 0.0378 -0.3091 -0.4057 0.8602 -55.280 23.688 -25.313 A 21 GLN C 49 GLN~? A 41 TYR C 48 TYR~? A 43 ASN C 46 ASN~? ULMNm 3 3hde_o01 LYSOZYME user 5 3 RMSD = 1.42 A TRANSFORM -0.1371 -0.8511 -0.5068 0.0557 -0.5175 0.8539 -0.9890 0.0888 0.1184 15.057 -16.556 12.814 B 35 GLU E 12 GLU~? B 44 ASP D 6 ASP~? B 50 THR D 9 THR~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 31 3 RMSD = 1.42 A TRANSFORM -0.0402 0.8963 -0.4417 0.9903 -0.0230 -0.1368 -0.1328 -0.4429 -0.8867 102.848 22.462 127.215 B 550 GLN E 47 GLN~? B 591 LEU E 50 LEU~? B 633 GLU D 45 GLU~? ULMNm 3 3hde_o02 LYSOZYME user 2 3 RMSD = 1.42 A TRANSFORM 0.9413 0.1574 -0.2988 -0.1653 0.9862 -0.0014 0.2944 0.0507 0.9543 4.554 -1.640 -14.702 C 35 GLU B 12 GLU~? C 44 ASP F 6 ASP~? C 50 THR F 9 THR~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 27 3 RMSD = 1.43 A TRANSFORM -0.8866 0.3913 0.2467 0.0234 0.5706 -0.8209 -0.4620 -0.7220 -0.5150 57.843 70.059 55.543 199 ASP F 35 ASP~? 218 GLU A 55 GLU~? 329 ASP B 37 ASP~? ULMNm 3 3hde_o01 LYSOZYME user 2 3 RMSD = 1.43 A TRANSFORM -0.1879 0.8136 -0.5502 -0.3670 0.4615 0.8077 0.9110 0.3537 0.2118 -4.526 -15.823 -47.294 B 35 GLU B 12 GLU~? B 44 ASP F 6 ASP~? B 50 THR F 9 THR~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 12 3 RMSD = 1.45 A TRANSFORM 0.8090 -0.5496 0.2084 0.2668 0.0274 -0.9634 0.5237 0.8350 0.1688 31.582 76.602 -11.160 199 ASP B 37 ASP~? 218 GLU F 55 GLU~? 329 ASP F 35 ASP~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 14 3 RMSD = 1.45 A TRANSFORM -0.9785 -0.1295 0.1608 -0.1596 0.9685 -0.1912 -0.1310 -0.2128 -0.9683 88.441 26.573 73.061 199 ASP C 35 ASP~? 218 GLU F 45 GLU~? 329 ASP D 37 ASP~? ULMNm 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 7 3 RMSD = 1.46 A TRANSFORM 0.9949 0.0979 0.0250 -0.1009 0.9752 0.1972 -0.0051 -0.1987 0.9800 12.263 42.363 27.508 A 130 ASP B 35 ASP~? A 153 ASN B 32 ASN~? A 189 GLN A 33 GLN~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.46 A TRANSFORM 0.2002 0.8120 -0.5483 -0.3960 0.5789 0.7128 0.8962 0.0744 0.4374 67.147 10.294 29.149 A 50 GLN A 47 GLN~? A 91 LEU A 50 LEU~? A 133 GLU B 45 GLU~? ULMNm 3 1cns_c00 CHITINASE user 13 3 RMSD = 1.47 A TRANSFORM 0.5250 0.8511 -0.0063 0.3545 -0.2254 -0.9075 -0.7738 0.4742 -0.4200 -63.977 -0.748 98.554 A 67 GLU E 5 GLU~? A 89 GLU D 5 GLU~? A 120 SER D 3 SER~? ULMNm 3 3hde_o02 LYSOZYME user 1 3 RMSD = 1.47 A TRANSFORM -0.5612 0.7411 -0.3686 -0.7892 -0.6133 -0.0315 -0.2494 0.2732 0.9291 35.199 15.369 -3.571 C 35 GLU A 12 GLU~? C 44 ASP B 6 ASP~? C 50 THR B 9 THR~? ULMNm 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 5 3 RMSD = 1.47 A TRANSFORM -0.5234 0.8412 -0.1356 -0.8503 -0.5054 0.1468 0.0549 0.1921 0.9798 47.531 62.926 26.635 A 130 ASP A 35 ASP~? A 153 ASN A 32 ASN~? A 189 GLN F 33 GLN~? ULMNm 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 3 3 RMSD = 1.48 A TRANSFORM -0.6994 0.5895 0.4042 -0.6832 -0.3851 -0.6204 -0.2100 -0.7101 0.6721 28.117 92.114 44.793 A 130 ASP A 31 ASP~? A 153 ASN A 32 ASN~? A 189 GLN F 33 GLN~? ULMNm 3 3hde_o00 LYSOZYME user 5 3 RMSD = 1.48 A TRANSFORM 0.8628 -0.3285 0.3842 0.3721 -0.1016 -0.9226 0.3421 0.9390 0.0345 -35.845 -26.634 -51.380 A 35 GLU E 12 GLU~? A 44 ASP D 6 ASP~? A 50 THR D 9 THR~? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.48 A TRANSFORM -0.9569 -0.0707 0.2816 -0.2747 -0.0936 -0.9570 0.0940 -0.9931 0.0702 15.526 -7.784 -19.717 A 35 GLU B 12 GLU~? A 44 ASP F 6 ASP~? A 50 THR F 9 THR~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 7 3 RMSD = 1.48 A TRANSFORM 0.1393 -0.1160 0.9834 0.9861 0.1071 -0.1271 -0.0906 0.9875 0.1293 -5.725 49.533 14.382 229 ASP D 37 ASP~? 264 GLU C 45 GLU~? 328 ASP C 35 ASP~? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.49 A TRANSFORM -0.5883 -0.5730 -0.5706 -0.2886 -0.5103 0.8101 -0.7554 0.6412 0.1348 7.200 -15.187 -12.446 B 35 GLU A 12 GLU~? B 44 ASP B 6 ASP~? B 50 THR B 9 THR~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.49 A TRANSFORM -0.3663 -0.3411 0.8657 0.4887 0.7212 0.4909 -0.7918 0.6029 -0.0975 -32.418 24.053 91.793 B 34 SER A 19 SER~? B 37 ASN A 16 ASN~? B 45 THR B 9 THR~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 4 3 RMSD = 1.49 A TRANSFORM 0.6360 0.7418 0.2125 -0.2284 0.4440 -0.8664 -0.7371 0.5025 0.4519 -12.697 57.873 10.275 A 32 ASP C 31 ASP~? A 35 SER C 30 SER~? A 218 ASP C 35 ASP~?