Mercurial > repos > galaxy-australia > alphafold2
view docker/alphafold/alphafold/relax/testdata/model_output.pdb @ 1:6c92e000d684 draft
"planemo upload for repository https://github.com/usegalaxy-au/galaxy-local-tools commit a510e97ebd604a5e30b1f16e5031f62074f23e86"
| author | galaxy-australia |
|---|---|
| date | Tue, 01 Mar 2022 02:53:05 +0000 |
| parents | |
| children |
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ATOM 1 C MET A 1 1.921 -46.152 7.786 1.00 4.39 C ATOM 2 CA MET A 1 1.631 -46.829 9.131 1.00 4.39 C ATOM 3 CB MET A 1 2.759 -47.768 9.578 1.00 4.39 C ATOM 4 CE MET A 1 3.466 -49.770 13.198 1.00 4.39 C ATOM 5 CG MET A 1 2.581 -48.221 11.034 1.00 4.39 C ATOM 6 H MET A 1 0.234 -48.249 8.549 1.00 4.39 H ATOM 7 H2 MET A 1 -0.424 -46.789 8.952 1.00 4.39 H ATOM 8 H3 MET A 1 0.111 -47.796 10.118 1.00 4.39 H ATOM 9 HA MET A 1 1.628 -46.009 9.849 1.00 4.39 H ATOM 10 HB2 MET A 1 3.701 -47.225 9.500 1.00 4.39 H ATOM 11 HB3 MET A 1 2.807 -48.640 8.926 1.00 4.39 H ATOM 12 HE1 MET A 1 2.747 -50.537 12.910 1.00 4.39 H ATOM 13 HE2 MET A 1 4.296 -50.241 13.725 1.00 4.39 H ATOM 14 HE3 MET A 1 2.988 -49.052 13.864 1.00 4.39 H ATOM 15 HG2 MET A 1 1.791 -48.971 11.083 1.00 4.39 H ATOM 16 HG3 MET A 1 2.295 -47.368 11.650 1.00 4.39 H ATOM 17 N MET A 1 0.291 -47.464 9.182 1.00 4.39 N ATOM 18 O MET A 1 2.091 -44.945 7.799 1.00 4.39 O ATOM 19 SD MET A 1 4.096 -48.921 11.725 1.00 4.39 S ATOM 20 C LYS A 2 1.366 -45.033 4.898 1.00 2.92 C ATOM 21 CA LYS A 2 2.235 -46.242 5.308 1.00 2.92 C ATOM 22 CB LYS A 2 2.206 -47.314 4.196 1.00 2.92 C ATOM 23 CD LYS A 2 3.331 -49.342 3.134 1.00 2.92 C ATOM 24 CE LYS A 2 4.434 -50.403 3.293 1.00 2.92 C ATOM 25 CG LYS A 2 3.294 -48.395 4.349 1.00 2.92 C ATOM 26 H LYS A 2 1.832 -47.853 6.656 1.00 2.92 H ATOM 27 HA LYS A 2 3.248 -45.841 5.355 1.00 2.92 H ATOM 28 HB2 LYS A 2 1.223 -47.785 4.167 1.00 2.92 H ATOM 29 HB3 LYS A 2 2.363 -46.812 3.241 1.00 2.92 H ATOM 30 HD2 LYS A 2 3.524 -48.754 2.237 1.00 2.92 H ATOM 31 HD3 LYS A 2 2.364 -49.833 3.031 1.00 2.92 H ATOM 32 HE2 LYS A 2 5.383 -49.891 3.455 1.00 2.92 H ATOM 33 HE3 LYS A 2 4.225 -51.000 4.180 1.00 2.92 H ATOM 34 HG2 LYS A 2 3.102 -48.977 5.250 1.00 2.92 H ATOM 35 HG3 LYS A 2 4.264 -47.909 4.446 1.00 2.92 H ATOM 36 HZ1 LYS A 2 4.763 -50.747 1.274 1.00 2.92 H ATOM 37 HZ2 LYS A 2 3.681 -51.785 1.931 1.00 2.92 H ATOM 38 HZ3 LYS A 2 5.280 -51.965 2.224 1.00 2.92 H ATOM 39 N LYS A 2 1.907 -46.846 6.629 1.00 2.92 N ATOM 40 NZ LYS A 2 4.542 -51.286 2.100 1.00 2.92 N ATOM 41 O LYS A 2 1.882 -44.093 4.312 1.00 2.92 O ATOM 42 C PHE A 3 -0.511 -42.597 5.624 1.00 4.39 C ATOM 43 CA PHE A 3 -0.853 -43.933 4.929 1.00 4.39 C ATOM 44 CB PHE A 3 -2.271 -44.408 5.285 1.00 4.39 C ATOM 45 CD1 PHE A 3 -3.760 -43.542 3.432 1.00 4.39 C ATOM 46 CD2 PHE A 3 -4.050 -42.638 5.675 1.00 4.39 C ATOM 47 CE1 PHE A 3 -4.797 -42.715 2.965 1.00 4.39 C ATOM 48 CE2 PHE A 3 -5.091 -41.818 5.207 1.00 4.39 C ATOM 49 CG PHE A 3 -3.382 -43.505 4.788 1.00 4.39 C ATOM 50 CZ PHE A 3 -5.463 -41.853 3.853 1.00 4.39 C ATOM 51 H PHE A 3 -0.311 -45.868 5.655 1.00 4.39 H ATOM 52 HA PHE A 3 -0.817 -43.746 3.856 1.00 4.39 H ATOM 53 HB2 PHE A 3 -2.353 -44.512 6.367 1.00 4.39 H ATOM 54 HB3 PHE A 3 -2.432 -45.393 4.848 1.00 4.39 H ATOM 55 HD1 PHE A 3 -3.255 -44.198 2.739 1.00 4.39 H ATOM 56 HD2 PHE A 3 -3.768 -42.590 6.716 1.00 4.39 H ATOM 57 HE1 PHE A 3 -5.083 -42.735 1.923 1.00 4.39 H ATOM 58 HE2 PHE A 3 -5.604 -41.151 5.885 1.00 4.39 H ATOM 59 HZ PHE A 3 -6.257 -41.215 3.493 1.00 4.39 H ATOM 60 N PHE A 3 0.079 -45.027 5.253 1.00 4.39 N ATOM 61 O PHE A 3 -0.633 -41.541 5.014 1.00 4.39 O ATOM 62 C LEU A 4 1.598 -40.732 7.042 1.00 4.39 C ATOM 63 CA LEU A 4 0.367 -41.437 7.633 1.00 4.39 C ATOM 64 CB LEU A 4 0.628 -41.823 9.104 1.00 4.39 C ATOM 65 CD1 LEU A 4 -0.319 -42.778 11.228 1.00 4.39 C ATOM 66 CD2 LEU A 4 -1.300 -40.694 10.309 1.00 4.39 C ATOM 67 CG LEU A 4 -0.650 -42.027 9.937 1.00 4.39 C ATOM 68 H LEU A 4 0.163 -43.538 7.292 1.00 4.39 H ATOM 69 HA LEU A 4 -0.445 -40.712 7.588 1.00 4.39 H ATOM 70 HB2 LEU A 4 1.213 -41.034 9.576 1.00 4.39 H ATOM 71 HB3 LEU A 4 1.235 -42.728 9.127 1.00 4.39 H ATOM 72 HD11 LEU A 4 0.380 -42.191 11.824 1.00 4.39 H ATOM 73 HD12 LEU A 4 0.127 -43.747 11.002 1.00 4.39 H ATOM 74 HD13 LEU A 4 -1.230 -42.927 11.808 1.00 4.39 H ATOM 75 HD21 LEU A 4 -0.606 -40.080 10.883 1.00 4.39 H ATOM 76 HD22 LEU A 4 -2.193 -40.869 10.909 1.00 4.39 H ATOM 77 HD23 LEU A 4 -1.593 -40.147 9.413 1.00 4.39 H ATOM 78 HG LEU A 4 -1.359 -42.630 9.370 1.00 4.39 H ATOM 79 N LEU A 4 -0.012 -42.638 6.869 1.00 4.39 N ATOM 80 O LEU A 4 1.655 -39.508 7.028 1.00 4.39 O ATOM 81 C VAL A 5 3.372 -40.190 4.573 1.00 4.39 C ATOM 82 CA VAL A 5 3.752 -40.956 5.845 1.00 4.39 C ATOM 83 CB VAL A 5 4.757 -42.083 5.528 1.00 4.39 C ATOM 84 CG1 VAL A 5 6.019 -41.568 4.827 1.00 4.39 C ATOM 85 CG2 VAL A 5 5.199 -42.807 6.810 1.00 4.39 C ATOM 86 H VAL A 5 2.440 -42.503 6.548 1.00 4.39 H ATOM 87 HA VAL A 5 4.234 -40.242 6.512 1.00 4.39 H ATOM 88 HB VAL A 5 4.279 -42.813 4.875 1.00 4.39 H ATOM 89 HG11 VAL A 5 6.494 -40.795 5.431 1.00 4.39 H ATOM 90 HG12 VAL A 5 5.770 -41.145 3.853 1.00 4.39 H ATOM 91 HG13 VAL A 5 6.725 -42.383 4.670 1.00 4.39 H ATOM 92 HG21 VAL A 5 4.347 -43.283 7.297 1.00 4.39 H ATOM 93 HG22 VAL A 5 5.933 -43.575 6.568 1.00 4.39 H ATOM 94 HG23 VAL A 5 5.651 -42.093 7.498 1.00 4.39 H ATOM 95 N VAL A 5 2.554 -41.501 6.509 1.00 4.39 N ATOM 96 O VAL A 5 3.937 -39.138 4.297 1.00 4.39 O TER 96 VAL A 5 END