*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1a0s_o00 SUCROSE-SPECIFIC PORIN user 1 4 RMSD = 1.29 A TRANSFORM 0.1887 0.5928 -0.7830 0.1359 -0.8054 -0.5770 0.9726 -0.0024 0.2325 -26.459 -11.463 -2.872 P 437 ARG A 5 ARG^? P 439 GLU A 90 GLU^? P 441 ARG A 83 ARG^? P 480 GLU B 271 GLU~? ULMNm 4 1a0s_o00 SUCROSE-SPECIFIC PORIN user 3 4 RMSD = 1.37 A TRANSFORM 0.5176 -0.7295 -0.4472 0.4632 0.6783 -0.5704 -0.7194 -0.0880 -0.6890 -25.362 -12.873 -2.361 P 437 ARG A 83 ARG^? P 439 GLU B 271 GLU~? P 441 ARG A 5 ARG^? P 480 GLU A 90 GLU^? ULMNm 3 1kim_c00 THYMIDINE KINASE user 6 3 RMSD = 0.98 A TRANSFORM 0.3034 -0.3594 0.8825 0.7714 -0.4510 -0.4489 -0.5594 -0.8169 -0.1404 41.680 94.398 52.547 A 83 GLU A 90 GLU^? A 163 ARG A 83 ARG^? A 222 ARG A 5 ARG^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.01 A TRANSFORM -0.9061 0.3719 -0.2016 0.0374 -0.4042 -0.9139 0.4214 0.8357 -0.3523 -6.392 12.417 -3.091 141 ASP A 35 ASP^? 166 GLY A 29 GLY^? 169 GLU A 26 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.02 A TRANSFORM 0.9294 0.0830 0.3596 -0.3688 0.2446 0.8967 0.0135 0.9661 -0.2579 53.557 20.834 15.489 A 67 ASP B 235 ASP^? A 68 ALA B 237 ALA~? A 72 LEU B 240 LEU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.04 A TRANSFORM 0.0136 0.7041 -0.7100 -0.6829 0.5252 0.5077 -0.7304 -0.4780 -0.4880 49.240 32.278 9.280 A 229 ALA A 115 ALA~? A 257 ALA A 118 ALA~? A 328 ASP A 95 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.05 A TRANSFORM 0.9104 0.3048 -0.2796 -0.0452 0.7452 0.6653 -0.4112 0.5931 -0.6922 6.259 17.536 -10.208 141 ASP B 235 ASP^? 166 GLY B 229 GLY^? 169 GLU B 226 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.05 A TRANSFORM -0.9332 -0.3105 -0.1807 0.3592 -0.8062 -0.4700 -0.0002 0.5036 -0.8639 38.290 21.312 13.769 A 67 ASP A 35 ASP^? A 68 ALA A 37 ALA~? A 72 LEU A 40 LEU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.06 A TRANSFORM 0.0027 0.8902 -0.4556 0.6949 -0.3293 -0.6393 0.7191 0.3149 0.6194 50.312 37.861 23.445 A 229 ALA B 315 ALA~? A 257 ALA B 318 ALA~? A 328 ASP B 295 ASP~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 5 3 RMSD = 1.19 A TRANSFORM -0.3319 0.2959 -0.8957 -0.4299 0.7978 0.4228 -0.8397 -0.5254 0.1375 61.410 68.542 45.402 A 83 GLU A 90 GLU^? A 163 ARG A 5 ARG^? A 222 ARG A 83 ARG^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 4 3 RMSD = 1.25 A TRANSFORM -0.6017 -0.4977 -0.6248 -0.2724 0.8631 -0.4252 -0.7509 0.0857 0.6549 2.330 6.446 25.414 A 271 PRO A 70 PRO~? A 272 LEU A 66 LEU~? A 276 ARG A 64 ARG~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 13 3 RMSD = 1.33 A TRANSFORM -0.4057 -0.9138 -0.0184 -0.6403 0.2698 0.7192 0.6522 -0.3035 0.6946 33.365 89.590 59.581 A 83 GLU B 290 GLU^? A 163 ARG B 283 ARG^? A 222 ARG B 205 ARG^? ULMNm 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 RMSD = 1.36 A TRANSFORM -0.0657 0.9978 -0.0107 -0.9542 -0.0597 0.2933 -0.2920 -0.0295 -0.9560 9.544 -24.803 35.536 A 1 CYH B 257 CYH^? A 98 ASN B 258 ASN~? A 99 GLY B 227 GLY.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.37 A TRANSFORM 0.5431 -0.8315 0.1169 -0.4352 -0.1597 0.8861 0.7181 0.5321 0.4486 30.401 23.771 5.487 A 229 ALA A 118 ALA~? A 257 ALA A 115 ALA~? A 328 ASP A 95 ASP~? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 RMSD = 1.37 A TRANSFORM 0.0237 -0.9996 0.0170 0.9593 0.0180 -0.2819 -0.2814 -0.0230 -0.9593 60.076 70.848 78.860 B 1 CYH B 257 CYH^? B 98 ASN B 258 ASN~? B 99 GLY B 227 GLY.? ULMNm 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 RMSD = 1.38 A TRANSFORM -0.4519 -0.5512 -0.7014 0.8506 -0.0293 -0.5250 -0.2689 0.8338 -0.4821 -1.019 1.593 43.952 A 1 CYH B 278 CYH^? A 98 ASN B 279 ASN^? A 99 GLY B 255 GLY^? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 RMSD = 1.38 A TRANSFORM -0.0337 0.9994 -0.0124 -0.9591 -0.0288 0.2818 -0.2812 -0.0214 -0.9594 45.284 18.404 35.831 D 1 CYH B 257 CYH^? D 98 ASN B 258 ASN~? D 99 GLY B 227 GLY.? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 RMSD = 1.38 A TRANSFORM 0.0768 -0.9969 0.0157 0.9561 0.0691 -0.2847 -0.2827 -0.0369 -0.9585 25.933 31.664 78.757 C 1 CYH B 257 CYH^? C 98 ASN B 258 ASN~? C 99 GLY B 227 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.38 A TRANSFORM -0.4825 -0.4149 -0.7714 0.2826 -0.9073 0.3113 0.8291 0.0678 -0.5550 -3.931 11.638 -5.674 141 ASP B 235 ASP^? 166 GLY A 27 GLY.? 169 GLU A 25 GLU~? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 RMSD = 1.39 A TRANSFORM 0.4457 0.5447 0.7104 -0.8526 0.0166 0.5223 -0.2727 0.8385 -0.4718 36.182 5.088 87.018 C 1 CYH B 278 CYH^? C 98 ASN B 279 ASN^? C 99 GLY B 255 GLY^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 12 3 RMSD = 1.39 A TRANSFORM 0.0564 0.6238 0.7795 -0.4239 0.7219 -0.5470 0.9040 0.2995 -0.3052 9.698 7.923 33.779 A 271 PRO B 304 PRO~? A 272 LEU B 303 LEU~? A 276 ARG B 301 ARG~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.39 A TRANSFORM -0.6081 0.2615 -0.7495 0.3502 0.9357 0.0423 -0.7124 0.2367 0.6606 -4.569 8.005 10.824 141 ASP B 235 ASP^? 166 GLY A 27 GLY.? 169 GLU A 117 GLU~? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 RMSD = 1.40 A TRANSFORM 0.4817 0.5568 0.6767 -0.8298 0.0416 0.5565 -0.2817 0.8296 -0.4821 71.763 44.784 86.892 B 1 CYH B 278 CYH^? B 98 ASN B 279 ASN^? B 99 GLY B 255 GLY^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.40 A TRANSFORM -0.5588 -0.3562 0.7489 0.4308 -0.8963 -0.1049 -0.7086 -0.2640 -0.6544 24.816 26.112 -8.574 A 229 ALA B 318 ALA~? A 257 ALA B 315 ALA~? A 328 ASP B 295 ASP~? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 RMSD = 1.40 A TRANSFORM -0.4703 -0.5593 -0.6827 0.8363 -0.0356 -0.5471 -0.2817 0.8282 -0.4845 33.884 44.622 43.841 D 1 CYH B 278 CYH^? D 98 ASN B 279 ASN^? D 99 GLY B 255 GLY^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 10 3 RMSD = 1.42 A TRANSFORM 0.5820 0.4131 0.7004 0.3031 0.6891 -0.6583 0.7546 -0.5954 -0.2758 14.873 9.670 32.941 A 271 PRO B 270 PRO~? A 272 LEU B 266 LEU~? A 276 ARG B 264 ARG~? ULMNm 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.42 A TRANSFORM 0.0277 0.3495 -0.9365 0.9529 -0.2924 -0.0809 0.3021 0.8901 0.3411 7.435 -12.595 44.410 A 1 CYH A 57 CYH^? A 98 ASN A 58 ASN~? A 99 GLY A 27 GLY.? ULMNm 3 2dbt_c01 CHITINASE C user 9 3 RMSD = 1.42 A TRANSFORM 0.9725 -0.0362 -0.2300 -0.2057 0.3286 -0.9218 -0.1090 -0.9438 -0.3121 56.982 65.880 -0.305 B 147 GLU B 298 GLU~? B 156 GLU A 71 GLU~? B 194 ASN B 279 ASN^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.42 A TRANSFORM 0.6111 0.7915 -0.0131 -0.3305 0.2400 -0.9128 0.7193 -0.5621 -0.4082 6.734 -0.109 17.201 141 ASP A 35 ASP^? 166 GLY B 227 GLY.? 169 GLU B 317 GLU~? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.42 A TRANSFORM 0.0148 -0.3564 0.9342 -0.9566 0.2670 0.1170 0.2912 0.8954 0.3369 62.747 58.643 87.584 B 1 CYH A 57 CYH^? B 98 ASN A 58 ASN~? B 99 GLY A 27 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.43 A TRANSFORM -0.9781 0.1110 -0.1763 0.0062 -0.8305 -0.5570 0.2083 0.5458 -0.8116 -4.840 16.512 -1.908 141 ASP A 35 ASP^? 166 GLY A 29 GLY^? 169 GLU A 25 GLU~? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM -0.0052 0.3524 -0.9358 0.9568 -0.2703 -0.1071 0.2907 0.8960 0.3358 42.735 30.639 44.550 D 1 CYH A 57 CYH^? D 98 ASN A 58 ASN~? D 99 GLY A 27 GLY.? ULMNm 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.43 A TRANSFORM 0.4405 0.5452 0.7132 -0.8603 0.4836 0.1617 0.2567 0.6848 -0.6820 10.376 -8.033 47.120 A 1 CYH A 78 CYH^? A 98 ASN A 79 ASN^? A 99 GLY A 55 GLY^? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM -0.0384 -0.3546 0.9342 -0.9554 0.2871 0.0697 0.2930 0.8898 0.3498 27.855 19.358 87.538 C 1 CYH A 57 CYH^? C 98 ASN A 58 ASN~? C 99 GLY A 27 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.43 A TRANSFORM 0.4689 0.6117 0.6371 -0.3137 -0.5590 0.7676 -0.8257 0.5598 0.0702 7.758 8.789 -15.178 141 ASP A 35 ASP^? 166 GLY B 227 GLY.? 169 GLU B 225 GLU~? ULMNm 3 1cns_c01 CHITINASE user 1 3 RMSD = 1.44 A TRANSFORM -0.5758 0.8067 0.1330 -0.3846 -0.4108 0.8267 -0.7215 -0.4249 -0.5467 22.158 -17.944 52.242 B 67 GLU A 117 GLU~? B 89 GLU A 26 GLU~? B 120 SER A 123 SER~? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.44 A TRANSFORM -0.4340 -0.5555 -0.7092 0.8623 -0.4840 -0.1487 0.2607 0.6761 -0.6891 24.857 14.798 90.179 C 1 CYH A 78 CYH^? C 98 ASN A 79 ASN^? C 99 GLY A 55 GLY^? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.45 A TRANSFORM -0.4709 -0.5208 -0.7121 0.8400 -0.5113 -0.1816 0.2695 0.6837 -0.6782 60.035 53.933 90.257 B 1 CYH A 78 CYH^? B 98 ASN A 79 ASN^? B 99 GLY A 55 GLY^? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.46 A TRANSFORM 0.4595 0.5257 0.7159 -0.8463 0.5037 0.1734 0.2694 0.6855 -0.6764 45.484 35.318 47.220 D 1 CYH A 78 CYH^? D 98 ASN A 79 ASN^? D 99 GLY A 55 GLY^? ULMNm 3 1b5d_c04 DEOXYCYTIDYLATE HYDROXYMETHYLASE user 1 3 RMSD = 1.49 A TRANSFORM -0.0426 -0.4758 -0.8785 0.2792 -0.8500 0.4467 0.9593 0.2263 -0.1691 22.514 -0.020 22.983 A 60 GLU A 116 GLU~? A 148 CYH A 78 CYH^? A 179 ASP A 95 ASP~? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.50 A TRANSFORM 0.3592 -0.3999 -0.8432 0.7773 -0.3719 0.5075 0.5166 0.8377 -0.1772 -29.389 -3.208 67.840 A 67 GLU A 117 GLU~? A 89 GLU A 26 GLU~? A 120 SER A 123 SER~?