***  EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000  ***
Job options:
ID = 24021912482947563
JOBID = EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000
USERID = unknown
PRIVAT = 0
NMODES = 10
DQMIN = -100
DQMAX = 100
DQSTEP = 20
DOGRAPHS = 0
DOPROJMODS = 0
DORMSD = 0
NRBL = 0
CUTOFF = 0
CAONLY = 0
Input data for this run:
HEADER EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000
MODEL 1
ATOM 1 N PHE A 1 -2.971 -3.523 10.227 1.00 76.50 N
ATOM 2 CA PHE A 1 -1.678 -2.875 10.047 1.00 76.50 C
ATOM 3 C PHE A 1 -0.869 -3.574 8.961 1.00 76.50 C
ATOM 4 CB PHE A 1 -0.891 -2.863 11.359 1.00 76.50 C
ATOM 5 O PHE A 1 -0.479 -4.734 9.117 1.00 76.50 O
ATOM 6 CG PHE A 1 -0.225 -1.546 11.656 1.00 76.50 C
ATOM 7 CD1 PHE A 1 1.095 -1.319 11.289 1.00 76.50 C
ATOM 8 CD2 PHE A 1 -0.920 -0.535 12.305 1.00 76.50 C
ATOM 9 CE1 PHE A 1 1.713 -0.101 11.562 1.00 76.50 C
ATOM 10 CE2 PHE A 1 -0.309 0.685 12.586 1.00 76.50 C
ATOM 11 CZ PHE A 1 1.008 0.899 12.211 1.00 76.50 C
ATOM 12 N HIS A 2 -1.443 -3.549 7.844 1.00 77.62 N
ATOM 13 CA HIS A 2 -0.800 -4.160 6.684 1.00 77.62 C
ATOM 14 C HIS A 2 0.376 -3.316 6.199 1.00 77.62 C
ATOM 15 CB HIS A 2 -1.809 -4.355 5.551 1.00 77.62 C
ATOM 16 O HIS A 2 0.264 -2.094 6.090 1.00 77.62 O
ATOM 17 CG HIS A 2 -1.695 -5.680 4.867 1.00 77.62 C
ATOM 18 CD2 HIS A 2 -0.986 -6.062 3.779 1.00 77.62 C
ATOM 19 ND1 HIS A 2 -2.373 -6.801 5.301 1.00 77.62 N
ATOM 20 CE1 HIS A 2 -2.082 -7.816 4.508 1.00 77.62 C
ATOM 21 NE2 HIS A 2 -1.242 -7.395 3.576 1.00 77.62 N
ATOM 22 N GLN A 3 1.490 -3.797 6.602 1.00 75.25 N
ATOM 23 CA GLN A 3 2.824 -3.359 6.207 1.00 75.25 C
ATOM 24 C GLN A 3 3.162 -3.826 4.793 1.00 75.25 C
ATOM 25 CB GLN A 3 3.873 -3.875 7.191 1.00 75.25 C
ATOM 26 O GLN A 3 3.023 -5.008 4.473 1.00 75.25 O
ATOM 27 CG GLN A 3 3.771 -3.254 8.578 1.00 75.25 C
ATOM 28 CD GLN A 3 5.090 -3.281 9.336 1.00 75.25 C
ATOM 29 NE2 GLN A 3 5.098 -3.936 10.492 1.00 75.25 N
ATOM 30 OE1 GLN A 3 6.090 -2.721 8.875 1.00 75.25 O
ATOM 31 N ASP A 4 2.953 -2.996 3.852 1.00 81.19 N
ATOM 32 CA ASP A 4 3.404 -3.189 2.477 1.00 81.19 C
ATOM 33 C ASP A 4 4.922 -3.070 2.375 1.00 81.19 C
ATOM 34 CB ASP A 4 2.734 -2.178 1.544 1.00 81.19 C
ATOM 35 O ASP A 4 5.504 -2.078 2.816 1.00 81.19 O
ATOM 36 CG ASP A 4 1.320 -2.574 1.157 1.00 81.19 C
ATOM 37 OD1 ASP A 4 0.996 -3.781 1.183 1.00 81.19 O
ATOM 38 OD2 ASP A 4 0.523 -1.670 0.823 1.00 81.19 O
ATOM 39 N VAL A 5 5.645 -4.035 2.812 1.00 78.19 N
ATOM 40 CA VAL A 5 7.094 -4.039 2.641 1.00 78.19 C
ATOM 41 C VAL A 5 7.438 -4.141 1.156 1.00 78.19 C
ATOM 42 CB VAL A 5 7.754 -5.199 3.420 1.00 78.19 C
ATOM 43 O VAL A 5 6.941 -5.027 0.456 1.00 78.19 O
ATOM 44 CG1 VAL A 5 9.242 -5.281 3.107 1.00 78.19 C
ATOM 45 CG2 VAL A 5 7.527 -5.027 4.922 1.00 78.19 C
ATOM 46 N GLU A 6 7.609 -3.027 0.637 1.00 80.06 N
ATOM 47 CA GLU A 6 8.148 -2.773 -0.696 1.00 80.06 C
ATOM 48 C GLU A 6 9.430 -3.562 -0.932 1.00 80.06 C
ATOM 49 CB GLU A 6 8.398 -1.277 -0.896 1.00 80.06 C
ATOM 50 O GLU A 6 10.344 -3.541 -0.100 1.00 80.06 O
ATOM 51 CG GLU A 6 8.328 -0.831 -2.350 1.00 80.06 C
ATOM 52 CD GLU A 6 8.352 0.681 -2.514 1.00 80.06 C
ATOM 53 OE1 GLU A 6 9.438 1.241 -2.809 1.00 80.06 O
ATOM 54 OE2 GLU A 6 7.285 1.309 -2.346 1.00 80.06 O
ATOM 55 N ASP A 7 9.164 -4.676 -1.383 1.00 71.69 N
ATOM 56 CA ASP A 7 10.281 -5.488 -1.866 1.00 71.69 C
ATOM 57 C ASP A 7 11.023 -4.781 -3.000 1.00 71.69 C
ATOM 58 CB ASP A 7 9.781 -6.855 -2.334 1.00 71.69 C
ATOM 59 O ASP A 7 10.438 -4.500 -4.047 1.00 71.69 O
ATOM 60 CG ASP A 7 10.852 -7.934 -2.258 1.00 71.69 C
ATOM 61 OD1 ASP A 7 11.922 -7.691 -1.648 1.00 71.69 O
ATOM 62 OD2 ASP A 7 10.633 -9.031 -2.816 1.00 71.69 O
ATOM 63 N ILE A 8 11.578 -3.627 -2.793 1.00 68.31 N
ATOM 64 CA ILE A 8 12.664 -3.205 -3.670 1.00 68.31 C
ATOM 65 C ILE A 8 14.008 -3.625 -3.068 1.00 68.31 C
ATOM 66 CB ILE A 8 12.641 -1.678 -3.906 1.00 68.31 C
ATOM 67 O ILE A 8 14.195 -3.574 -1.851 1.00 68.31 O
ATOM 68 CG1 ILE A 8 11.281 -1.247 -4.469 1.00 68.31 C
ATOM 69 CG2 ILE A 8 13.781 -1.258 -4.840 1.00 68.31 C
ATOM 70 CD1 ILE A 8 10.992 0.238 -4.309 1.00 68.31 C
TER 71 ALA A 1
ENDMDL
END
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It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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