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*** EXP_1RY2_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 ***elNémo ID: 24021912244120825Job options:ID = 24021912244120825 JOBID = EXP_1RY2_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_1RY2_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000 MODEL 1 ATOM 1 N ASN A 1 -4.348 0.886 7.172 1.00 74.25 N ATOM 2 CA ASN A 1 -4.488 -0.075 6.082 1.00 74.25 C ATOM 3 C ASN A 1 -3.172 -0.788 5.789 1.00 74.25 C ATOM 4 CB ASN A 1 -5.012 0.615 4.824 1.00 74.25 C ATOM 5 O ASN A 1 -2.305 -0.240 5.105 1.00 74.25 O ATOM 6 CG ASN A 1 -6.371 0.096 4.395 1.00 74.25 C ATOM 7 ND2 ASN A 1 -6.523 -0.174 3.104 1.00 74.25 N ATOM 8 OD1 ASN A 1 -7.277 -0.060 5.219 1.00 74.25 O ATOM 9 N PRO A 2 -2.736 -1.582 6.598 1.00 83.75 N ATOM 10 CA PRO A 2 -1.506 -2.377 6.562 1.00 83.75 C ATOM 11 C PRO A 2 -1.139 -2.834 5.152 1.00 83.75 C ATOM 12 CB PRO A 2 -1.836 -3.576 7.453 1.00 83.75 C ATOM 13 O PRO A 2 0.037 -3.068 4.859 1.00 83.75 O ATOM 14 CG PRO A 2 -3.299 -3.453 7.734 1.00 83.75 C ATOM 15 CD PRO A 2 -3.762 -2.105 7.262 1.00 83.75 C ATOM 16 N GLY A 3 -1.967 -2.840 4.164 1.00 95.00 N ATOM 17 CA GLY A 3 -1.723 -3.254 2.793 1.00 95.00 C ATOM 18 C GLY A 3 -0.915 -2.242 2.000 1.00 95.00 C ATOM 19 O GLY A 3 -0.046 -2.617 1.210 1.00 95.00 O ATOM 20 N ILE A 4 -1.196 -0.974 2.109 1.00 94.44 N ATOM 21 CA ILE A 4 -0.526 0.107 1.395 1.00 94.44 C ATOM 22 C ILE A 4 0.927 0.205 1.853 1.00 94.44 C ATOM 23 CB ILE A 4 -1.247 1.457 1.607 1.00 94.44 C ATOM 24 O ILE A 4 1.834 0.365 1.032 1.00 94.44 O ATOM 25 CG1 ILE A 4 -2.635 1.430 0.955 1.00 94.44 C ATOM 26 CG2 ILE A 4 -0.405 2.611 1.057 1.00 94.44 C ATOM 27 CD1 ILE A 4 -3.539 2.580 1.375 1.00 94.44 C ATOM 28 N VAL A 5 1.180 0.101 3.143 1.00 94.50 N ATOM 29 CA VAL A 5 2.525 0.170 3.705 1.00 94.50 C ATOM 30 C VAL A 5 3.363 -0.994 3.182 1.00 94.50 C ATOM 31 CB VAL A 5 2.496 0.153 5.250 1.00 94.50 C ATOM 32 O VAL A 5 4.523 -0.810 2.805 1.00 94.50 O ATOM 33 CG1 VAL A 5 3.914 0.100 5.816 1.00 94.50 C ATOM 34 CG2 VAL A 5 1.750 1.376 5.781 1.00 94.50 C ATOM 35 N ARG A 6 2.834 -2.178 3.041 1.00 95.06 N ATOM 36 CA ARG A 6 3.531 -3.340 2.498 1.00 95.06 C ATOM 37 C ARG A 6 3.908 -3.119 1.036 1.00 95.06 C ATOM 38 CB ARG A 6 2.666 -4.594 2.633 1.00 95.06 C ATOM 39 O ARG A 6 4.996 -3.502 0.606 1.00 95.06 O ATOM 40 CG ARG A 6 3.342 -5.863 2.141 1.00 95.06 C ATOM 41 CD ARG A 6 2.553 -7.109 2.523 1.00 95.06 C ATOM 42 NE ARG A 6 2.689 -7.418 3.943 1.00 95.06 N ATOM 43 NH1 ARG A 6 1.366 -9.312 3.869 1.00 95.06 N ATOM 44 NH2 ARG A 6 2.311 -8.641 5.848 1.00 95.06 N ATOM 45 CZ ARG A 6 2.121 -8.461 4.551 1.00 95.06 C ATOM 46 N HIS A 7 3.010 -2.498 0.327 1.00 94.94 N ATOM 47 CA HIS A 7 3.279 -2.238 -1.082 1.00 94.94 C ATOM 48 C HIS A 7 4.465 -1.296 -1.251 1.00 94.94 C ATOM 49 CB HIS A 7 2.041 -1.651 -1.765 1.00 94.94 C ATOM 50 O HIS A 7 5.301 -1.497 -2.135 1.00 94.94 O ATOM 51 CG HIS A 7 1.097 -2.688 -2.285 1.00 94.94 C ATOM 52 CD2 HIS A 7 -0.109 -3.100 -1.829 1.00 94.94 C ATOM 53 ND1 HIS A 7 1.359 -3.434 -3.414 1.00 94.94 N ATOM 54 CE1 HIS A 7 0.352 -4.266 -3.629 1.00 94.94 C ATOM 55 NE2 HIS A 7 -0.552 -4.082 -2.682 1.00 94.94 N ATOM 56 N LEU A 8 4.586 -0.330 -0.493 1.00 95.06 N ATOM 57 CA LEU A 8 5.672 0.642 -0.549 1.00 95.06 C ATOM 58 C LEU A 8 7.008 -0.016 -0.219 1.00 95.06 C ATOM 59 CB LEU A 8 5.406 1.798 0.419 1.00 95.06 C ATOM 60 O LEU A 8 8.008 0.218 -0.906 1.00 95.06 O ATOM 61 CG LEU A 8 4.402 2.854 -0.043 1.00 95.06 C ATOM 62 CD1 LEU A 8 4.023 3.770 1.115 1.00 95.06 C ATOM 63 CD2 LEU A 8 4.969 3.658 -1.207 1.00 95.06 C ATOM 64 N ILE A 9 7.023 -0.757 0.802 1.00 95.12 N ATOM 65 CA ILE A 9 8.242 -1.459 1.199 1.00 95.12 C ATOM 66 C ILE A 9 8.664 -2.418 0.091 1.00 95.12 C ATOM 67 CB ILE A 9 8.039 -2.229 2.525 1.00 95.12 C ATOM 68 O ILE A 9 9.852 -2.502 -0.243 1.00 95.12 O ATOM 69 CG1 ILE A 9 7.789 -1.249 3.678 1.00 95.12 C ATOM 70 CG2 ILE A 9 9.250 -3.119 2.818 1.00 95.12 C ATOM 71 CD1 ILE A 9 7.445 -1.923 5.000 1.00 95.12 C ATOM 72 N ASP A 10 7.711 -3.033 -0.520 1.00 95.44 N ATOM 73 CA ASP A 10 8.047 -3.988 -1.571 1.00 95.44 C ATOM 74 C ASP A 10 8.602 -3.279 -2.805 1.00 95.44 C ATOM 75 CB ASP A 10 6.816 -4.816 -1.950 1.00 95.44 C ATOM 76 O ASP A 10 9.438 -3.832 -3.520 1.00 95.44 O ATOM 77 CG ASP A 10 6.500 -5.906 -0.940 1.00 95.44 C ATOM 78 OD1 ASP A 10 7.348 -6.195 -0.070 1.00 95.44 O ATOM 79 OD2 ASP A 10 5.391 -6.480 -1.017 1.00 95.44 O ATOM 80 N SER A 11 8.148 -2.125 -3.031 1.00 94.00 N ATOM 81 CA SER A 11 8.578 -1.372 -4.207 1.00 94.00 C ATOM 82 C SER A 11 10.023 -0.900 -4.062 1.00 94.00 C ATOM 83 CB SER A 11 7.664 -0.170 -4.438 1.00 94.00 C ATOM 84 O SER A 11 10.750 -0.800 -5.055 1.00 94.00 O ATOM 85 OG SER A 11 6.344 -0.595 -4.730 1.00 94.00 O ATOM 86 N VAL A 12 10.500 -0.736 -2.914 1.00 89.62 N ATOM 87 CA VAL A 12 11.844 -0.211 -2.717 1.00 89.62 C ATOM 88 C VAL A 12 12.844 -1.361 -2.670 1.00 89.62 C ATOM 89 CB VAL A 12 11.938 0.634 -1.427 1.00 89.62 C ATOM 90 O VAL A 12 14.023 -1.182 -2.988 1.00 89.62 O ATOM 91 CG1 VAL A 12 11.164 1.940 -1.577 1.00 89.62 C ATOM 92 CG2 VAL A 12 11.422 -0.162 -0.229 1.00 89.62 C ATOM 93 N LYS A 13 12.398 -2.502 -2.250 1.00 82.75 N ATOM 94 CA LYS A 13 13.281 -3.660 -2.182 1.00 82.75 C ATOM 95 C LYS A 13 13.562 -4.223 -3.572 1.00 82.75 C ATOM 96 CB LYS A 13 12.680 -4.746 -1.287 1.00 82.75 C ATOM 97 O LYS A 13 14.648 -4.734 -3.834 1.00 82.75 O ATOM 98 CG LYS A 13 12.750 -4.430 0.200 1.00 82.75 C ATOM 99 CD LYS A 13 12.328 -5.625 1.045 1.00 82.75 C ATOM 100 CE LYS A 13 12.367 -5.301 2.533 1.00 82.75 C ATOM 101 NZ LYS A 13 11.984 -6.480 3.367 1.00 82.75 N ATOM 102 N LEU A 14 12.789 -3.934 -4.484 1.00 62.16 N ATOM 103 CA LEU A 14 13.133 -4.363 -5.836 1.00 62.16 C ATOM 104 C LEU A 14 13.984 -3.311 -6.539 1.00 62.16 C ATOM 105 CB LEU A 14 11.867 -4.637 -6.652 1.00 62.16 C ATOM 106 O LEU A 14 14.891 -3.648 -7.301 1.00 62.16 O ATOM 107 CG LEU A 14 11.141 -5.953 -6.352 1.00 62.16 C ATOM 108 CD1 LEU A 14 9.719 -5.902 -6.883 1.00 62.16 C ATOM 109 CD2 LEU A 14 11.906 -7.129 -6.949 1.00 62.16 C TER 110 ALA A 1 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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