*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 8 3 RMSD = 0.97 A TRANSFORM -0.4184 -0.8155 -0.3999 0.9062 -0.4045 -0.1231 0.0613 0.4139 -0.9082 44.236 52.120 34.993 179 ASP B 27 ASP.? 227 GLU A 34 GLU^? 289 ASP B 50 ASP.? ULMNm 3 1vom_c00 MYOSIN user 11 3 RMSD = 1.00 A TRANSFORM 0.8792 0.3109 -0.3610 0.1332 -0.8880 -0.4402 0.4574 -0.3389 0.8221 32.340 69.376 -39.781 233 ASN B 48 ASN^? 457 GLY A 36 GLY.? 459 GLU A 34 GLU^? ULMNm 3 1vom_c00 MYOSIN user 5 3 RMSD = 1.00 A TRANSFORM -0.8796 0.3381 0.3348 -0.1534 -0.8676 0.4730 -0.4504 -0.3647 -0.8149 55.861 66.089 -9.895 233 ASN A 48 ASN^? 457 GLY B 36 GLY.? 459 GLU B 34 GLU^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.05 A TRANSFORM -0.4965 0.6016 0.6258 0.1896 0.7787 -0.5981 0.8471 0.1783 0.5007 46.165 -58.566 -48.313 B 37 ASP A 15 ASP~? B 56 ILE A 31 ILE^? B 82 TYR A 45 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.05 A TRANSFORM -0.4929 0.6078 0.6227 0.2186 0.7791 -0.5875 0.8422 0.1535 0.5169 42.961 -42.532 -19.468 A 37 ASP A 15 ASP~? A 56 ILE A 31 ILE^? A 82 TYR A 45 TYR^? ULMNm 3 1vom_c00 MYOSIN user 3 3 RMSD = 1.07 A TRANSFORM -0.6943 0.5933 -0.4073 -0.6951 -0.4062 0.5931 -0.1865 -0.6950 -0.6944 50.173 56.746 -3.282 233 ASN A 48 ASN^? 457 GLY A 30 GLY^? 459 GLU B 34 GLU^? ULMNm 3 1vom_c00 MYOSIN user 15 3 RMSD = 1.09 A TRANSFORM 0.6912 0.6000 0.4027 0.6990 -0.4140 -0.5831 0.1832 -0.6846 0.7056 19.560 42.726 -21.459 233 ASN B 48 ASN^? 457 GLY B 30 GLY^? 459 GLU A 34 GLU^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.10 A TRANSFORM 0.5195 0.5716 -0.6351 -0.1764 0.7990 0.5749 -0.8360 0.1867 -0.5159 40.017 -62.588 -11.357 B 37 ASP B 15 ASP~? B 56 ILE B 31 ILE^? B 82 TYR B 45 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 RMSD = 1.10 A TRANSFORM 0.5158 0.5781 -0.6323 -0.2052 0.7999 0.5640 -0.8318 0.1611 -0.5312 36.880 -45.398 17.615 A 37 ASP B 15 ASP~? A 56 ILE B 31 ILE^? A 82 TYR B 45 TYR^? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 7 3 RMSD = 1.11 A TRANSFORM -0.8899 0.4356 -0.1356 0.0996 -0.1046 -0.9895 0.4452 0.8940 -0.0497 4.238 43.195 -26.288 B 40 HIS B 35 HIS^? B 58 GLU A 33 GLU^? B 92 HIS A 35 HIS^? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 4 3 RMSD = 1.12 A TRANSFORM 0.8998 0.4167 0.1295 -0.1029 -0.0859 0.9910 -0.4240 0.9050 0.0344 -27.925 29.820 -12.470 B 40 HIS A 35 HIS^? B 58 GLU B 33 GLU^? B 92 HIS B 35 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.16 A TRANSFORM -0.4613 -0.8093 -0.3635 -0.5967 0.5863 -0.5480 -0.6566 0.0359 0.7534 27.349 -1.626 3.543 141 ASP A 50 ASP.? 166 GLY B 36 GLY.? 169 GLU B 33 GLU^? ULMNm 3 1ylu_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 3 3 RMSD = 1.24 A TRANSFORM 0.8370 0.2057 -0.5071 -0.3258 -0.5572 -0.7638 0.4397 -0.8045 0.3993 -6.360 22.023 83.243 B 14 LYS A 79 LYS^? B 74 LYS A 84 LYS^? B 165 GLU A 95 GLU~? ULMNm 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 RMSD = 1.27 A TRANSFORM -0.5851 -0.7609 0.2806 -0.2393 0.4926 0.8367 0.7748 -0.4224 0.4703 52.327 -2.654 50.677 A 14 LYS A 79 LYS^? A 74 LYS A 84 LYS^? A 165 GLU A 95 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.28 A TRANSFORM 0.4624 -0.7843 0.4136 0.6387 0.6182 0.4581 0.6150 -0.0524 -0.7868 4.110 -32.440 -2.191 141 ASP B 50 ASP.? 166 GLY A 36 GLY.? 169 GLU A 33 GLU^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.30 A TRANSFORM 0.4197 -0.7901 0.4467 -0.9061 -0.3935 0.1554 -0.0530 0.4700 0.8811 22.175 80.725 20.307 179 ASP A 27 ASP.? 227 GLU B 34 GLU^? 289 ASP A 50 ASP.? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.32 A TRANSFORM -0.5077 -0.2661 -0.8194 0.8614 -0.1450 -0.4867 -0.0107 0.9530 -0.3029 95.500 23.706 -62.112 233 ASN A 39 ASN.? 457 GLY A 36 GLY.? 459 GLU A 37 GLU.? ULMNm 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 3 3 RMSD = 1.32 A TRANSFORM -0.5573 -0.7558 -0.3437 0.7575 -0.2934 -0.5831 -0.3399 0.5854 -0.7361 47.061 0.599 33.170 A 14 LYS A 79 LYS^? A 74 LYS A 84 LYS^? A 165 GLU A 95 GLU~? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 4 3 RMSD = 1.34 A TRANSFORM -0.2069 0.1252 0.9703 0.6003 0.7994 0.0249 0.7726 -0.5876 0.2406 -24.113 -45.383 -8.495 A 54 GLU B 11 GLU~? A 65 ARG B 6 ARG~? A 85 HIS A 35 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.35 A TRANSFORM -0.5235 -0.8335 -0.1768 -0.8203 0.5492 -0.1599 -0.2304 -0.0613 0.9712 27.692 -0.181 3.107 141 ASP A 50 ASP.? 166 GLY B 36 GLY.? 169 GLU A 33 GLU^? ULMNm 3 1vom_c00 MYOSIN user 7 3 RMSD = 1.37 A TRANSFORM -0.3110 -0.1222 0.9425 -0.9327 -0.1513 -0.3274 -0.1826 0.9809 0.0669 62.376 54.248 -50.834 233 ASN A 48 ASN^? 457 GLY B 81 GLY.? 459 GLU A 52 GLU^? ULMNm 3 1vom_c00 MYOSIN user 16 3 RMSD = 1.37 A TRANSFORM -0.8105 -0.0666 0.5820 0.3982 -0.7913 0.4640 -0.4296 -0.6078 -0.6678 75.840 46.558 11.260 233 ASN B 48 ASN^? 457 GLY B 30 GLY^? 459 GLU A 37 GLU.? ULMNm 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 RMSD = 1.38 A TRANSFORM 0.5725 0.7687 -0.2851 -0.1222 0.4239 0.8974 -0.8107 0.4790 -0.3366 -29.453 33.717 -1.518 D 14 LYS A 79 LYS^? D 74 LYS A 84 LYS^? D 165 GLU A 95 GLU~? ULMNm 3 1vom_c00 MYOSIN user 4 3 RMSD = 1.38 A TRANSFORM 0.8182 -0.0749 -0.5700 -0.3899 -0.8010 -0.4543 0.4225 -0.5940 0.6846 57.828 67.971 -14.925 233 ASN A 48 ASN^? 457 GLY A 30 GLY^? 459 GLU B 37 GLU.? ULMNm 3 1vom_c00 MYOSIN user 14 3 RMSD = 1.38 A TRANSFORM 0.2975 -0.1327 -0.9455 0.9387 -0.1401 0.3150 0.1743 0.9812 -0.0828 68.028 16.663 -55.628 233 ASN B 48 ASN^? 457 GLY A 81 GLY.? 459 GLU B 52 GLU^? ULMNm 3 1kqc_c02 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 3 3 RMSD = 1.40 A TRANSFORM -0.5743 -0.7687 0.2815 -0.3868 0.5579 0.7343 0.7215 -0.3128 0.6178 45.050 30.783 15.688 C 14 LYS A 79 LYS^? C 74 LYS A 84 LYS^? C 165 GLU A 95 GLU~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 8 3 RMSD = 1.40 A TRANSFORM -0.1295 -0.1414 -0.9814 -0.9560 -0.2451 0.1615 0.2633 -0.9591 0.1034 20.707 34.046 21.491 A 14 GLU B 74 GLU.? A 61 GLU B 96 GLU~? A 162 HIS B 88 HIS.? ULMNm 3 2dbt_c02 CHITINASE C user 2 3 RMSD = 1.42 A TRANSFORM -0.6293 -0.0838 0.7727 -0.7762 0.0177 -0.6302 -0.0392 0.9963 0.0762 69.007 48.783 -30.872 C 147 GLU A 2 GLU.? C 156 GLU A 71 GLU.? C 194 ASN A 63 ASN.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.43 A TRANSFORM 0.5241 -0.8197 0.2310 0.8335 0.5494 0.0584 0.1747 -0.1619 -0.9712 5.714 -30.185 16.036 141 ASP B 50 ASP.? 166 GLY A 36 GLY.? 169 GLU B 33 GLU^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 4 3 RMSD = 1.44 A TRANSFORM 0.4287 -0.7799 -0.4561 -0.3427 0.3267 -0.8808 -0.8359 -0.5339 0.1272 47.485 88.772 64.743 A 228 ASP B 27 ASP.? A 261 ASP B 80 ASP.? A 329 ASP B 50 ASP.? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 1 3 RMSD = 1.46 A TRANSFORM 0.1688 0.1074 -0.9798 -0.6030 0.7976 -0.0165 -0.7797 -0.5936 -0.1994 -14.011 -24.134 22.105 A 54 GLU A 11 GLU~? A 65 ARG A 6 ARG~? A 85 HIS B 35 HIS^? ULMNm 3 2dbt_c01 CHITINASE C user 2 3 RMSD = 1.46 A TRANSFORM -0.2700 -0.7477 0.6066 0.8451 0.1178 0.5215 0.4614 -0.6534 -0.6001 91.886 34.787 29.312 B 147 GLU A 2 GLU.? B 156 GLU A 71 GLU.? B 194 ASN A 63 ASN.? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 3 3 RMSD = 1.47 A TRANSFORM -0.0353 -0.6733 -0.7385 -0.8594 0.3976 -0.3215 -0.5101 -0.6233 0.5927 33.917 -1.371 34.037 A 50 HIS B 35 HIS^? A 96 GLU A 33 GLU^? A 137 HIS A 35 HIS^? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 2 3 RMSD = 1.47 A TRANSFORM 0.0162 -0.6590 0.7520 0.8691 0.3812 0.3153 0.4944 -0.6484 -0.5788 20.331 -35.603 27.308 A 50 HIS A 35 HIS^? A 96 GLU B 33 GLU^? A 137 HIS B 35 HIS^? ULMNm 3 1cns_c01 CHITINASE user 2 3 RMSD = 1.48 A TRANSFORM -0.5992 -0.7759 -0.1975 -0.7355 0.4361 0.5185 0.3161 -0.4559 0.8320 66.995 -21.408 57.587 B 67 GLU A 67 GLU.? B 89 GLU A 12 GLU~? B 120 SER A 7 SER~? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 RMSD = 1.48 A TRANSFORM -0.8100 -0.0729 -0.5819 0.5244 0.3540 -0.7744 -0.2625 0.9324 0.2485 23.799 2.192 23.828 B 317 GLU A 52 GLU^? B 319 ASP A 80 ASP.? B 359 ARG A 82 ARG^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.49 A TRANSFORM 0.3163 -0.9357 0.1562 -0.9045 -0.2479 0.3470 0.2860 0.2510 0.9248 39.750 26.807 127.104 C 70 ALA A 69 ALA^? C 126 LEU A 68 LEU^? C 158 GLU A 67 GLU.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.49 A TRANSFORM -0.3597 -0.9224 -0.1407 0.9037 -0.3069 -0.2986 -0.2322 0.2346 -0.9439 52.930 3.261 152.133 C 70 ALA B 69 ALA^? C 126 LEU B 68 LEU^? C 158 GLU B 67 GLU.? ULMNm 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 RMSD = 1.49 A TRANSFORM 0.5565 0.7776 -0.2928 -0.2733 0.5041 0.8193 -0.7846 0.3759 -0.4930 -22.215 -2.780 33.462 B 14 LYS A 79 LYS^? B 74 LYS A 84 LYS^? B 165 GLU A 95 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.50 A TRANSFORM -0.2000 -0.8378 -0.5081 -0.9636 0.2620 -0.0527 -0.1773 -0.4790 0.8597 66.306 54.810 97.293 A 50 GLN A 91 GLN~? A 91 LEU A 90 LEU~? A 133 GLU A 92 GLU~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 3 3 RMSD = 1.50 A TRANSFORM 0.1617 -0.1342 0.9777 0.9445 -0.2662 -0.1927 -0.2861 -0.9545 -0.0837 -1.086 4.792 32.369 A 14 GLU A 74 GLU.? A 61 GLU A 96 GLU~? A 162 HIS A 88 HIS.?