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*** EXP_1TME_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000 ***elNémo ID: 24021912501950589Job options:ID = 24021912501950589 JOBID = EXP_1TME_unrelaxed_rank_001_alphafold2_ptm_model_2_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_1TME_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000 MODEL 1 ATOM 1 N SER A 1 -11.273 8.047 16.500 1.00 62.47 N ATOM 2 CA SER A 1 -9.984 7.762 15.883 1.00 62.47 C ATOM 3 C SER A 1 -10.094 6.594 14.906 1.00 62.47 C ATOM 4 CB SER A 1 -8.938 7.449 16.953 1.00 62.47 C ATOM 5 O SER A 1 -10.180 5.438 15.320 1.00 62.47 O ATOM 6 OG SER A 1 -7.777 6.883 16.359 1.00 62.47 O ATOM 7 N GLY A 2 -10.953 6.527 13.906 1.00 76.88 N ATOM 8 CA GLY A 2 -11.375 5.508 12.953 1.00 76.88 C ATOM 9 C GLY A 2 -11.281 5.965 11.508 1.00 76.88 C ATOM 10 O GLY A 2 -11.414 5.160 10.586 1.00 76.88 O ATOM 11 N ASN A 3 -10.695 7.074 11.297 1.00 88.25 N ATOM 12 CA ASN A 3 -10.680 7.656 9.961 1.00 88.25 C ATOM 13 C ASN A 3 -9.258 7.789 9.422 1.00 88.25 C ATOM 14 CB ASN A 3 -11.375 9.016 9.953 1.00 88.25 C ATOM 15 O ASN A 3 -9.055 8.039 8.234 1.00 88.25 O ATOM 16 CG ASN A 3 -12.891 8.898 9.961 1.00 88.25 C ATOM 17 ND2 ASN A 3 -13.562 9.945 10.438 1.00 88.25 N ATOM 18 OD1 ASN A 3 -13.445 7.883 9.547 1.00 88.25 O ATOM 19 N GLU A 4 -8.297 7.652 10.359 1.00 93.19 N ATOM 20 CA GLU A 4 -6.898 7.789 9.977 1.00 93.19 C ATOM 21 C GLU A 4 -6.461 6.648 9.062 1.00 93.19 C ATOM 22 CB GLU A 4 -6.000 7.840 11.219 1.00 93.19 C ATOM 23 O GLU A 4 -5.727 6.863 8.094 1.00 93.19 O ATOM 24 CG GLU A 4 -4.730 8.656 11.023 1.00 93.19 C ATOM 25 CD GLU A 4 -4.441 9.602 12.172 1.00 93.19 C ATOM 26 OE1 GLU A 4 -3.426 10.336 12.117 1.00 93.19 O ATOM 27 OE2 GLU A 4 -5.234 9.617 13.141 1.00 93.19 O ATOM 28 N GLY A 5 -7.012 5.523 9.242 1.00 91.00 N ATOM 29 CA GLY A 5 -6.699 4.383 8.391 1.00 91.00 C ATOM 30 C GLY A 5 -7.281 4.496 6.996 1.00 91.00 C ATOM 31 O GLY A 5 -6.633 4.117 6.020 1.00 91.00 O ATOM 32 N VAL A 6 -8.336 5.062 6.973 1.00 93.06 N ATOM 33 CA VAL A 6 -9.047 5.250 5.711 1.00 93.06 C ATOM 34 C VAL A 6 -8.367 6.352 4.895 1.00 93.06 C ATOM 35 CB VAL A 6 -10.531 5.602 5.949 1.00 93.06 C ATOM 36 O VAL A 6 -8.180 6.203 3.688 1.00 93.06 O ATOM 37 CG1 VAL A 6 -11.211 5.980 4.637 1.00 93.06 C ATOM 38 CG2 VAL A 6 -11.258 4.434 6.613 1.00 93.06 C ATOM 39 N ILE A 7 -7.914 7.348 5.617 1.00 94.94 N ATOM 40 CA ILE A 7 -7.238 8.469 4.965 1.00 94.94 C ATOM 41 C ILE A 7 -5.902 8.000 4.398 1.00 94.94 C ATOM 42 CB ILE A 7 -7.027 9.641 5.941 1.00 94.94 C ATOM 43 O ILE A 7 -5.570 8.297 3.248 1.00 94.94 O ATOM 44 CG1 ILE A 7 -8.375 10.266 6.328 1.00 94.94 C ATOM 45 CG2 ILE A 7 -6.094 10.695 5.328 1.00 94.94 C ATOM 46 CD1 ILE A 7 -8.281 11.273 7.465 1.00 94.94 C ATOM 47 N ILE A 8 -5.234 7.207 5.066 1.00 94.81 N ATOM 48 CA ILE A 8 -3.934 6.707 4.641 1.00 94.81 C ATOM 49 C ILE A 8 -4.109 5.727 3.482 1.00 94.81 C ATOM 50 CB ILE A 8 -3.182 6.027 5.805 1.00 94.81 C ATOM 51 O ILE A 8 -3.365 5.773 2.502 1.00 94.81 O ATOM 52 CG1 ILE A 8 -2.781 7.062 6.863 1.00 94.81 C ATOM 53 CG2 ILE A 8 -1.953 5.270 5.289 1.00 94.81 C ATOM 54 CD1 ILE A 8 -2.230 6.461 8.148 1.00 94.81 C ATOM 55 N ASN A 9 -5.082 4.945 3.543 1.00 94.56 N ATOM 56 CA ASN A 9 -5.379 4.008 2.467 1.00 94.56 C ATOM 57 C ASN A 9 -5.730 4.734 1.170 1.00 94.56 C ATOM 58 CB ASN A 9 -6.520 3.070 2.873 1.00 94.56 C ATOM 59 O ASN A 9 -5.230 4.375 0.101 1.00 94.56 O ATOM 60 CG ASN A 9 -6.770 1.979 1.852 1.00 94.56 C ATOM 61 ND2 ASN A 9 -6.098 0.846 2.016 1.00 94.56 N ATOM 62 OD1 ASN A 9 -7.562 2.154 0.921 1.00 94.56 O ATOM 63 N ASN A 10 -6.512 5.688 1.276 1.00 95.25 N ATOM 64 CA ASN A 10 -6.902 6.469 0.108 1.00 95.25 C ATOM 65 C ASN A 10 -5.715 7.230 -0.479 1.00 95.25 C ATOM 66 CB ASN A 10 -8.031 7.438 0.462 1.00 95.25 C ATOM 67 O ASN A 10 -5.582 7.332 -1.699 1.00 95.25 O ATOM 68 CG ASN A 10 -9.367 6.742 0.640 1.00 95.25 C ATOM 69 ND2 ASN A 10 -10.164 7.227 1.581 1.00 95.25 N ATOM 70 OD1 ASN A 10 -9.672 5.773 -0.061 1.00 95.25 O ATOM 71 N PHE A 11 -4.816 7.809 0.310 1.00 96.31 N ATOM 72 CA PHE A 11 -3.639 8.547 -0.128 1.00 96.31 C ATOM 73 C PHE A 11 -2.727 7.656 -0.965 1.00 96.31 C ATOM 74 CB PHE A 11 -2.871 9.102 1.076 1.00 96.31 C ATOM 75 O PHE A 11 -2.332 8.031 -2.072 1.00 96.31 O ATOM 76 CG PHE A 11 -1.597 9.812 0.709 1.00 96.31 C ATOM 77 CD1 PHE A 11 -0.367 9.180 0.841 1.00 96.31 C ATOM 78 CD2 PHE A 11 -1.627 11.117 0.231 1.00 96.31 C ATOM 79 CE1 PHE A 11 0.814 9.836 0.501 1.00 96.31 C ATOM 80 CE2 PHE A 11 -0.451 11.773 -0.109 1.00 96.31 C ATOM 81 CZ PHE A 11 0.769 11.133 0.027 1.00 96.31 C ATOM 82 N TYR A 12 -2.475 6.484 -0.518 1.00 95.81 N ATOM 83 CA TYR A 12 -1.546 5.605 -1.218 1.00 95.81 C ATOM 84 C TYR A 12 -2.186 5.023 -2.473 1.00 95.81 C ATOM 85 CB TYR A 12 -1.081 4.473 -0.297 1.00 95.81 C ATOM 86 O TYR A 12 -1.519 4.863 -3.498 1.00 95.81 O ATOM 87 CG TYR A 12 -0.056 4.902 0.725 1.00 95.81 C ATOM 88 CD1 TYR A 12 1.237 5.250 0.340 1.00 95.81 C ATOM 89 CD2 TYR A 12 -0.379 4.965 2.076 1.00 95.81 C ATOM 90 CE1 TYR A 12 2.186 5.645 1.278 1.00 95.81 C ATOM 91 CE2 TYR A 12 0.561 5.359 3.023 1.00 95.81 C ATOM 92 OH TYR A 12 2.773 6.086 3.549 1.00 95.81 O ATOM 93 CZ TYR A 12 1.838 5.695 2.615 1.00 95.81 C ATOM 94 N SER A 13 -3.521 4.742 -2.338 1.00 96.12 N ATOM 95 CA SER A 13 -4.238 4.223 -3.498 1.00 96.12 C ATOM 96 C SER A 13 -4.277 5.246 -4.629 1.00 96.12 C ATOM 97 CB SER A 13 -5.664 3.826 -3.113 1.00 96.12 C ATOM 98 O SER A 13 -4.051 4.902 -5.789 1.00 96.12 O ATOM 99 OG SER A 13 -5.668 2.619 -2.369 1.00 96.12 O ATOM 100 N ASN A 14 -4.488 6.445 -4.285 1.00 94.12 N ATOM 101 CA ASN A 14 -4.547 7.520 -5.270 1.00 94.12 C ATOM 102 C ASN A 14 -3.172 7.812 -5.863 1.00 94.12 C ATOM 103 CB ASN A 14 -5.137 8.789 -4.648 1.00 94.12 C ATOM 104 O ASN A 14 -3.047 8.047 -7.066 1.00 94.12 O ATOM 105 CG ASN A 14 -6.648 8.758 -4.574 1.00 94.12 C ATOM 106 ND2 ASN A 14 -7.191 8.953 -3.377 1.00 94.12 N ATOM 107 OD1 ASN A 14 -7.328 8.547 -5.582 1.00 94.12 O ATOM 108 N GLN A 15 -2.162 7.828 -5.176 1.00 94.44 N ATOM 109 CA GLN A 15 -0.797 8.062 -5.633 1.00 94.44 C ATOM 110 C GLN A 15 -0.332 6.949 -6.566 1.00 94.44 C ATOM 111 CB GLN A 15 0.155 8.180 -4.441 1.00 94.44 C ATOM 112 O GLN A 15 0.304 7.215 -7.590 1.00 94.44 O ATOM 113 CG GLN A 15 1.378 9.047 -4.719 1.00 94.44 C ATOM 114 CD GLN A 15 2.385 9.016 -3.582 1.00 94.44 C ATOM 115 NE2 GLN A 15 3.562 8.469 -3.848 1.00 94.44 N ATOM 116 OE1 GLN A 15 2.104 9.492 -2.475 1.00 94.44 O ATOM 117 N TYR A 16 -0.614 5.781 -6.160 1.00 94.88 N ATOM 118 CA TYR A 16 -0.230 4.645 -6.992 1.00 94.88 C ATOM 119 C TYR A 16 -0.904 4.715 -8.359 1.00 94.88 C ATOM 120 CB TYR A 16 -0.588 3.328 -6.301 1.00 94.88 C ATOM 121 O TYR A 16 -0.256 4.512 -9.391 1.00 94.88 O ATOM 122 CG TYR A 16 -0.283 2.104 -7.129 1.00 94.88 C ATOM 123 CD1 TYR A 16 -1.300 1.410 -7.781 1.00 94.88 C ATOM 124 CD2 TYR A 16 1.021 1.639 -7.258 1.00 94.88 C ATOM 125 CE1 TYR A 16 -1.024 0.281 -8.547 1.00 94.88 C ATOM 126 CE2 TYR A 16 1.308 0.510 -8.023 1.00 94.88 C ATOM 127 OH TYR A 16 0.560 -1.278 -9.414 1.00 94.88 O ATOM 128 CZ TYR A 16 0.281 -0.161 -8.656 1.00 94.88 C ATOM 129 N GLN A 17 -2.109 4.930 -8.328 1.00 94.62 N ATOM 130 CA GLN A 17 -2.857 5.051 -9.570 1.00 94.62 C ATOM 131 C GLN A 17 -2.285 6.164 -10.453 1.00 94.62 C ATOM 132 CB GLN A 17 -4.336 5.316 -9.289 1.00 94.62 C ATOM 133 O GLN A 17 -2.156 5.996 -11.664 1.00 94.62 O ATOM 134 CG GLN A 17 -5.215 5.297 -10.531 1.00 94.62 C ATOM 135 CD GLN A 17 -5.145 3.979 -11.281 1.00 94.62 C ATOM 136 NE2 GLN A 17 -4.590 4.012 -12.492 1.00 94.62 N ATOM 137 OE1 GLN A 17 -5.582 2.939 -10.781 1.00 94.62 O ATOM 138 N ASN A 18 -2.049 7.270 -9.836 1.00 92.00 N ATOM 139 CA ASN A 18 -1.494 8.414 -10.555 1.00 92.00 C ATOM 140 C ASN A 18 -0.135 8.086 -11.164 1.00 92.00 C ATOM 141 CB ASN A 18 -1.380 9.625 -9.625 1.00 92.00 C ATOM 142 O ASN A 18 0.164 8.500 -12.289 1.00 92.00 O ATOM 143 CG ASN A 18 -2.727 10.242 -9.305 1.00 92.00 C ATOM 144 ND2 ASN A 18 -2.770 11.055 -8.258 1.00 92.00 N ATOM 145 OD1 ASN A 18 -3.719 9.992 -9.992 1.00 92.00 O ATOM 146 N SER A 19 0.669 7.352 -10.477 1.00 89.88 N ATOM 147 CA SER A 19 2.000 6.965 -10.938 1.00 89.88 C ATOM 148 C SER A 19 1.924 6.012 -12.125 1.00 89.88 C ATOM 149 CB SER A 19 2.789 6.312 -9.797 1.00 89.88 C ATOM 150 O SER A 19 2.740 6.090 -13.039 1.00 89.88 O ATOM 151 OG SER A 19 2.201 5.078 -9.422 1.00 89.88 O ATOM 152 N ILE A 20 0.967 5.168 -12.133 1.00 92.12 N ATOM 153 CA ILE A 20 0.740 4.227 -13.227 1.00 92.12 C ATOM 154 C ILE A 20 0.261 4.977 -14.469 1.00 92.12 C ATOM 155 CB ILE A 20 -0.284 3.139 -12.828 1.00 92.12 C ATOM 156 O ILE A 20 0.729 4.719 -15.578 1.00 92.12 O ATOM 157 CG1 ILE A 20 0.282 2.252 -11.711 1.00 92.12 C ATOM 158 CG2 ILE A 20 -0.679 2.299 -14.047 1.00 92.12 C ATOM 159 CD1 ILE A 20 -0.700 1.212 -11.195 1.00 92.12 C ATOM 160 N ASP A 21 -0.648 5.781 -14.258 1.00 91.69 N ATOM 161 CA ASP A 21 -1.166 6.602 -15.352 1.00 91.69 C ATOM 162 C ASP A 21 -0.059 7.441 -15.977 1.00 91.69 C ATOM 163 CB ASP A 21 -2.297 7.504 -14.852 1.00 91.69 C ATOM 164 O ASP A 21 0.008 7.578 -17.203 1.00 91.69 O ATOM 165 CG ASP A 21 -3.654 7.121 -15.414 1.00 91.69 C ATOM 166 OD1 ASP A 21 -3.764 6.066 -16.078 1.00 91.69 O ATOM 167 OD2 ASP A 21 -4.621 7.879 -15.195 1.00 91.69 O ATOM 168 N LEU A 22 0.800 8.016 -15.227 1.00 89.62 N ATOM 169 CA LEU A 22 1.890 8.867 -15.688 1.00 89.62 C ATOM 170 C LEU A 22 2.959 8.055 -16.406 1.00 89.62 C ATOM 171 CB LEU A 22 2.514 9.625 -14.508 1.00 89.62 C ATOM 172 O LEU A 22 3.537 8.508 -17.391 1.00 89.62 O ATOM 173 CG LEU A 22 3.605 10.633 -14.852 1.00 89.62 C ATOM 174 CD1 LEU A 22 3.076 11.672 -15.836 1.00 89.62 C ATOM 175 CD2 LEU A 22 4.129 11.305 -13.586 1.00 89.62 C ATOM 176 N SER A 23 3.172 6.859 -15.852 1.00 89.88 N ATOM 177 CA SER A 23 4.184 5.984 -16.438 1.00 89.88 C ATOM 178 C SER A 23 3.723 5.426 -17.766 1.00 89.88 C ATOM 179 CB SER A 23 4.512 4.836 -15.477 1.00 89.88 C ATOM 180 O SER A 23 4.547 5.113 -18.641 1.00 89.88 O ATOM 181 OG SER A 23 3.391 3.986 -15.305 1.00 89.88 O ATOM 182 N ALA A 24 2.529 5.336 -17.906 1.00 83.19 N ATOM 183 CA ALA A 24 1.930 4.758 -19.109 1.00 83.19 C ATOM 184 C ALA A 24 1.820 5.793 -20.219 1.00 83.19 C ATOM 185 CB ALA A 24 0.555 4.176 -18.797 1.00 83.19 C ATOM 186 O ALA A 24 1.540 5.449 -21.375 1.00 83.19 O ATOM 187 N SER A 25 2.152 7.043 -20.062 1.00 69.69 N ATOM 188 CA SER A 25 2.158 8.102 -21.062 1.00 69.69 C ATOM 189 C SER A 25 3.525 8.234 -21.719 1.00 69.69 C ATOM 190 CB SER A 25 1.767 9.438 -20.422 1.00 69.69 C ATOM 191 O SER A 25 4.551 7.934 -21.109 1.00 69.69 O ATOM 192 OG SER A 25 2.453 9.641 -19.203 1.00 69.69 O TER 193 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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