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*** CKM ***elNémo ID: 2609111836063705322Job options:ID = 2609111836063705322 JOBID = CKM USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER CKM HEADER 01-JUN-22 TITLE ALPHAFOLD MONOMER V2.0 PREDICTION FOR MUSCLE CREATINE KINASE (Q95MB4) COMPND MOL_ID: 1; COMPND 2 MOLECULE: MUSCLE CREATINE KINASE; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; SOURCE 3 ORGANISM_TAXID: 9796 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH JOHN JUMPER, RICHARD EVANS, ALEXANDER PRITZEL, TIM GREEN, REMARK 1 AUTH 2 MICHAEL FIGURNOV, OLAF RONNEBERGER, KATHRYN TUNYASUVUNAKOOL, REMARK 1 AUTH 3 RUSS BATES, AUGUSTIN ZIDEK, ANNA POTAPENKO, ALEX BRIDGLAND, REMARK 1 AUTH 4 CLEMENS MEYER, SIMON A A KOHL, ANDREW J BALLARD, REMARK 1 AUTH 5 ANDREW COWIE, BERNARDINO ROMERA-PAREDES, STANISLAV NIKOLOV, REMARK 1 AUTH 6 RISHUB JAIN, JONAS ADLER, TREVOR BACK, STIG PETERSEN, REMARK 1 AUTH 7 DAVID REIMAN, ELLEN CLANCY, MICHAL ZIELINSKI, REMARK 1 AUTH 8 MARTIN STEINEGGER, MICHALINA PACHOLSKA, TAMAS BERGHAMMER, REMARK 1 AUTH 9 DAVID SILVER, ORIOL VINYALS, ANDREW W SENIOR, REMARK 1 AUTH10 KORAY KAVUKCUOGLU, PUSHMEET KOHLI, DEMIS HASSABIS REMARK 1 TITL HIGHLY ACCURATE PROTEIN STRUCTURE PREDICTION WITH ALPHAFOLD REMARK 1 REF NATURE V. 596 583 2021 REMARK 1 REFN ISSN 0028-0836 REMARK 1 PMID 34265844 REMARK 1 DOI 10.1038/s41586-021-03819-2 REMARK 1 REMARK 1 DISCLAIMERS REMARK 1 ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE REMARK 1 INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD REMARK 1 BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY REMARK 1 OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT REMARK 1 USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD REMARK 1 PARTY. THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR REMARK 1 PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT REMARK 1 CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR REMARK 1 ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. DBREF XXXX A 1 16 UNP Q95MB4 Q95MB4_HORSE 1 16 SEQRES 1 A 16 GLY PHE THR LEU ASP ASP VAL ILE GLN THR GLY VAL ASP SEQRES 2 A 16 ASN PRO GLY CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N GLY A 1 -6.441 2.050 11.787 1.00 66.75 N ATOM 2 CA GLY A 1 -5.994 0.658 11.636 1.00 66.75 C ATOM 3 C GLY A 1 -5.756 0.462 10.169 1.00 66.75 C ATOM 4 O GLY A 1 -6.688 0.690 9.419 1.00 66.75 O ATOM 5 N PHE A 2 -4.521 0.182 9.778 1.00 67.75 N ATOM 6 CA PHE A 2 -4.181 -0.093 8.386 1.00 67.75 C ATOM 7 C PHE A 2 -4.256 -1.603 8.204 1.00 67.75 C ATOM 8 CB PHE A 2 -2.804 0.502 8.072 1.00 67.75 C ATOM 9 O PHE A 2 -3.727 -2.343 9.040 1.00 67.75 O ATOM 10 CG PHE A 2 -2.797 2.018 8.166 1.00 67.75 C ATOM 11 CD1 PHE A 2 -3.226 2.781 7.065 1.00 67.75 C ATOM 12 CD2 PHE A 2 -2.408 2.668 9.356 1.00 67.75 C ATOM 13 CE1 PHE A 2 -3.260 4.183 7.147 1.00 67.75 C ATOM 14 CE2 PHE A 2 -2.451 4.073 9.441 1.00 67.75 C ATOM 15 CZ PHE A 2 -2.875 4.830 8.334 1.00 67.75 C ATOM 16 N THR A 3 -5.000 -2.053 7.202 1.00 79.94 N ATOM 17 CA THR A 3 -5.079 -3.473 6.872 1.00 79.94 C ATOM 18 C THR A 3 -3.814 -3.881 6.124 1.00 79.94 C ATOM 19 CB THR A 3 -6.352 -3.815 6.088 1.00 79.94 C ATOM 20 O THR A 3 -3.098 -3.044 5.577 1.00 79.94 O ATOM 21 CG2 THR A 3 -7.625 -3.385 6.820 1.00 79.94 C ATOM 22 OG1 THR A 3 -6.334 -3.233 4.815 1.00 79.94 O ATOM 23 N LEU A 4 -3.489 -5.173 6.143 1.00 70.44 N ATOM 24 CA LEU A 4 -2.314 -5.686 5.439 1.00 70.44 C ATOM 25 C LEU A 4 -2.420 -5.437 3.921 1.00 70.44 C ATOM 26 CB LEU A 4 -2.179 -7.176 5.795 1.00 70.44 C ATOM 27 O LEU A 4 -1.407 -5.180 3.274 1.00 70.44 O ATOM 28 CG LEU A 4 -0.870 -7.816 5.313 1.00 70.44 C ATOM 29 CD1 LEU A 4 0.357 -7.278 6.057 1.00 70.44 C ATOM 30 CD2 LEU A 4 -0.929 -9.330 5.518 1.00 70.44 C ATOM 31 N ASP A 5 -3.644 -5.425 3.391 1.00 69.88 N ATOM 32 CA ASP A 5 -3.937 -5.095 1.997 1.00 69.88 C ATOM 33 C ASP A 5 -3.541 -3.646 1.660 1.00 69.88 C ATOM 34 CB ASP A 5 -5.428 -5.364 1.720 1.00 69.88 C ATOM 35 O ASP A 5 -2.908 -3.415 0.632 1.00 69.88 O ATOM 36 CG ASP A 5 -5.816 -6.835 1.935 1.00 69.88 C ATOM 37 OD1 ASP A 5 -5.010 -7.720 1.567 1.00 69.88 O ATOM 38 OD2 ASP A 5 -6.896 -7.077 2.521 1.00 69.88 O ATOM 39 N ASP A 6 -3.776 -2.692 2.574 1.00 67.44 N ATOM 40 CA ASP A 6 -3.402 -1.277 2.390 1.00 67.44 C ATOM 41 C ASP A 6 -1.877 -1.062 2.307 1.00 67.44 C ATOM 42 CB ASP A 6 -3.930 -0.409 3.550 1.00 67.44 C ATOM 43 O ASP A 6 -1.407 -0.082 1.733 1.00 67.44 O ATOM 44 CG ASP A 6 -5.445 -0.433 3.752 1.00 67.44 C ATOM 45 OD1 ASP A 6 -6.190 -0.321 2.763 1.00 67.44 O ATOM 46 OD2 ASP A 6 -5.860 -0.547 4.937 1.00 67.44 O ATOM 47 N VAL A 7 -1.083 -1.957 2.909 1.00 68.12 N ATOM 48 CA VAL A 7 0.388 -1.850 2.958 1.00 68.12 C ATOM 49 C VAL A 7 1.051 -2.582 1.787 1.00 68.12 C ATOM 50 CB VAL A 7 0.920 -2.350 4.318 1.00 68.12 C ATOM 51 O VAL A 7 2.127 -2.187 1.339 1.00 68.12 O ATOM 52 CG1 VAL A 7 2.449 -2.252 4.432 1.00 68.12 C ATOM 53 CG2 VAL A 7 0.330 -1.531 5.478 1.00 68.12 C ATOM 54 N ILE A 8 0.420 -3.639 1.273 1.00 74.12 N ATOM 55 CA ILE A 8 0.956 -4.476 0.187 1.00 74.12 C ATOM 56 C ILE A 8 0.601 -3.915 -1.207 1.00 74.12 C ATOM 57 CB ILE A 8 0.549 -5.952 0.431 1.00 74.12 C ATOM 58 O ILE A 8 1.182 -4.328 -2.212 1.00 74.12 O ATOM 59 CG1 ILE A 8 1.238 -6.457 1.725 1.00 74.12 C ATOM 60 CG2 ILE A 8 0.921 -6.880 -0.743 1.00 74.12 C ATOM 61 CD1 ILE A 8 0.855 -7.885 2.129 1.00 74.12 C ATOM 62 N GLN A 9 -0.264 -2.900 -1.293 1.00 67.06 N ATOM 63 CA GLN A 9 -0.698 -2.299 -2.561 1.00 67.06 C ATOM 64 C GLN A 9 0.382 -1.485 -3.315 1.00 67.06 C ATOM 65 CB GLN A 9 -1.985 -1.487 -2.322 1.00 67.06 C ATOM 66 O GLN A 9 0.093 -0.854 -4.325 1.00 67.06 O ATOM 67 CG GLN A 9 -2.959 -1.630 -3.500 1.00 67.06 C ATOM 68 CD GLN A 9 -4.247 -0.848 -3.281 1.00 67.06 C ATOM 69 NE2 GLN A 9 -4.642 -0.008 -4.205 1.00 67.06 N ATOM 70 OE1 GLN A 9 -4.935 -0.980 -2.284 1.00 67.06 O ATOM 71 N THR A 10 1.649 -1.515 -2.893 1.00 65.31 N ATOM 72 CA THR A 10 2.750 -0.828 -3.598 1.00 65.31 C ATOM 73 C THR A 10 3.188 -1.532 -4.888 1.00 65.31 C ATOM 74 CB THR A 10 3.966 -0.643 -2.681 1.00 65.31 C ATOM 75 O THR A 10 3.868 -0.925 -5.711 1.00 65.31 O ATOM 76 CG2 THR A 10 3.623 0.120 -1.400 1.00 65.31 C ATOM 77 OG1 THR A 10 4.483 -1.892 -2.284 1.00 65.31 O ATOM 78 N GLY A 11 2.807 -2.803 -5.079 1.00 59.97 N ATOM 79 CA GLY A 11 3.193 -3.609 -6.245 1.00 59.97 C ATOM 80 C GLY A 11 2.144 -3.726 -7.357 1.00 59.97 C ATOM 81 O GLY A 11 2.491 -4.135 -8.460 1.00 59.97 O ATOM 82 N VAL A 12 0.876 -3.392 -7.089 1.00 62.06 N ATOM 83 CA VAL A 12 -0.225 -3.511 -8.071 1.00 62.06 C ATOM 84 C VAL A 12 -0.489 -2.180 -8.782 1.00 62.06 C ATOM 85 CB VAL A 12 -1.496 -4.084 -7.407 1.00 62.06 C ATOM 86 O VAL A 12 -0.788 -2.174 -9.973 1.00 62.06 O ATOM 87 CG1 VAL A 12 -2.666 -4.221 -8.390 1.00 62.06 C ATOM 88 CG2 VAL A 12 -1.221 -5.483 -6.829 1.00 62.06 C ATOM 89 N ASP A 13 -0.274 -1.057 -8.091 1.00 65.12 N ATOM 90 CA ASP A 13 -0.475 0.296 -8.627 1.00 65.12 C ATOM 91 C ASP A 13 0.789 0.918 -9.236 1.00 65.12 C ATOM 92 CB ASP A 13 -1.067 1.204 -7.539 1.00 65.12 C ATOM 93 O ASP A 13 0.817 2.119 -9.503 1.00 65.12 O ATOM 94 CG ASP A 13 -2.480 0.801 -7.121 1.00 65.12 C ATOM 95 OD1 ASP A 13 -3.225 0.241 -7.954 1.00 65.12 O ATOM 96 OD2 ASP A 13 -2.829 1.075 -5.953 1.00 65.12 O ATOM 97 N ASN A 14 1.837 0.126 -9.487 1.00 63.28 N ATOM 98 CA ASN A 14 3.044 0.596 -10.163 1.00 63.28 C ATOM 99 C ASN A 14 3.130 0.050 -11.605 1.00 63.28 C ATOM 100 CB ASN A 14 4.268 0.315 -9.274 1.00 63.28 C ATOM 101 O ASN A 14 3.910 -0.868 -11.872 1.00 63.28 O ATOM 102 CG ASN A 14 5.458 1.144 -9.721 1.00 63.28 C ATOM 103 ND2 ASN A 14 6.543 0.497 -10.059 1.00 63.28 N ATOM 104 OD1 ASN A 14 5.399 2.362 -9.785 1.00 63.28 O ATOM 105 N PRO A 15 2.335 0.585 -12.558 1.00 63.47 N ATOM 106 CA PRO A 15 2.585 0.407 -13.980 1.00 63.47 C ATOM 107 C PRO A 15 3.778 1.294 -14.378 1.00 63.47 C ATOM 108 CB PRO A 15 1.261 0.777 -14.659 1.00 63.47 C ATOM 109 O PRO A 15 3.604 2.365 -14.962 1.00 63.47 O ATOM 110 CG PRO A 15 0.699 1.875 -13.759 1.00 63.47 C ATOM 111 CD PRO A 15 1.207 1.490 -12.372 1.00 63.47 C ATOM 112 N GLY A 16 4.988 0.869 -14.005 1.00 55.31 N ATOM 113 CA GLY A 16 6.239 1.588 -14.263 1.00 55.31 C ATOM 114 C GLY A 16 7.464 0.864 -13.738 1.00 55.31 C ATOM 115 O GLY A 16 7.615 0.814 -12.500 1.00 55.31 O ATOM 116 OXT GLY A 16 8.237 0.392 -14.594 1.00 55.31 O TER 117 GLY A 16 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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