***    ***
Job options:
ID = 2308141335261444624
JOBID =
USERID = unknown
PRIVAT = 0
NMODES = 3
DQMIN = -100
DQMAX = 100
DQSTEP = 20
DOGRAPHS = on
DOPROJMODS = 0
DORMSD = 0
NRBL = 0
CUTOFF = 0
CAONLY = 0
Input data for this run:
ATOM 1 N ASN A 22 -15.422 -44.350 38.175 1.00 27.16
ATOM 2 CA ASN A 22 -14.064 -44.730 38.539 1.00 31.92
ATOM 3 CB ASN A 22 -14.139 -45.805 39.646 1.00 35.53
ATOM 4 CG ASN A 22 -14.381 -47.222 39.132 1.00 37.72
ATOM 5 OD1 ASN A 22 -14.884 -47.429 38.036 1.00 41.73
ATOM 6 ND2 ASN A 22 -13.623 -48.204 39.741 1.00 47.45
ATOM 7 C ASN A 22 -13.217 -45.157 37.317 1.00 38.19
ATOM 8 O ASN A 22 -13.612 -44.965 36.167 1.00 32.65
ATOM 9 N THR A 23 -11.969 -45.767 37.573 1.00 35.89
ATOM 10 CA THR A 23 -11.071 -46.285 36.528 1.00 37.53
ATOM 11 CB THR A 23 -9.794 -46.856 37.164 1.00 33.93
ATOM 12 OG1 THR A 23 -9.108 -45.798 37.806 1.00 37.93
ATOM 13 CG2 THR A 23 -8.817 -47.472 36.160 1.00 33.82
ATOM 14 C THR A 23 -11.734 -47.306 35.604 1.00 39.45
ATOM 15 O THR A 23 -11.570 -47.211 34.387 1.00 36.58
ATOM 16 N ASP A 24 -12.535 -48.309 36.169 1.00 38.91
ATOM 17 CA ASP A 24 -13.203 -49.322 35.353 1.00 37.50
ATOM 18 C ASP A 24 -14.272 -48.683 34.462 1.00 42.76
ATOM 19 O ASP A 24 -14.304 -48.931 33.258 1.00 39.15
ATOM 20 CB ASP A 24 -13.818 -50.395 36.260 1.00 30.00
ATOM 21 CG ASP A 24 -12.770 -50.973 37.211 1.00 30.00
ATOM 22 OD1 ASP A 24 -12.046 -51.896 36.786 1.00 30.00
ATOM 23 OD2 ASP A 24 -12.678 -50.425 38.335 1.00 30.00
ATOM 24 N PHE A 25 -15.139 -47.743 35.055 1.00 37.34
ATOM 25 CA PHE A 25 -16.187 -47.048 34.312 1.00 38.17
ATOM 26 CB PHE A 25 -16.980 -46.144 35.265 1.00 40.62
ATOM 27 CG PHE A 25 -17.980 -45.240 34.566 1.00 43.24
ATOM 28 CD1 PHE A 25 -19.115 -45.791 33.941 1.00 39.98
ATOM 29 CE1 PHE A 25 -20.018 -44.958 33.256 1.00 36.33
ATOM 30 CZ PHE A 25 -19.792 -43.572 33.196 1.00 32.60
ATOM 31 CE2 PHE A 25 -18.659 -43.018 33.820 1.00 34.73
ATOM 32 CD2 PHE A 25 -17.754 -43.850 34.502 1.00 44.60
ATOM 33 C PHE A 25 -15.621 -46.246 33.136 1.00 42.74
ATOM 34 O PHE A 25 -16.045 -46.451 32.002 1.00 38.77
ATOM 35 N ARG A 26 -14.585 -45.317 33.378 1.00 35.97
ATOM 36 CA ARG A 26 -13.999 -44.510 32.297 1.00 41.27
ATOM 37 CB ARG A 26 -13.124 -43.377 32.865 1.00 41.53
ATOM 38 CG ARG A 26 -11.829 -43.843 33.550 1.00 37.82
ATOM 39 CD ARG A 26 -11.192 -42.700 34.356 1.00 30.31
ATOM 40 NE ARG A 26 -10.100 -43.182 35.225 1.00 34.53
ATOM 41 CZ ARG A 26 -8.836 -43.416 34.892 1.00 36.03
ATOM 42 NH1 ARG A 26 -8.357 -43.107 33.710 1.00 36.20
ATOM 43 NH2 ARG A 26 -8.027 -43.983 35.755 1.00 39.49
ATOM 44 C ARG A 26 -13.273 -45.360 31.248 1.00 36.04
ATOM 45 O ARG A 26 -13.214 -44.972 30.083 1.00 31.44
ATOM 46 N THR A 27 -12.744 -46.599 31.653 1.00 36.48
ATOM 47 CA THR A 27 -12.148 -47.548 30.706 1.00 37.72
ATOM 48 CB THR A 27 -11.374 -48.653 31.446 1.00 39.44
ATOM 49 OG1 THR A 27 -10.391 -48.066 32.270 1.00 43.14
ATOM 50 CG2 THR A 27 -10.640 -49.596 30.492 1.00 46.60
ATOM 51 C THR A 27 -13.217 -48.145 29.787 1.00 34.86
ATOM 52 O THR A 27 -13.012 -48.205 28.579 1.00 36.58
ATOM 53 N GLN A 28 -14.447 -48.540 30.350 1.00 34.90
ATOM 54 CA GLN A 28 -15.569 -49.040 29.551 1.00 36.07
ATOM 55 CB GLN A 28 -16.636 -49.655 30.474 1.00 40.04
ATOM 56 CG GLN A 28 -16.177 -50.963 31.142 1.00 47.06
ATOM 57 CD GLN A 28 -15.936 -52.059 30.109 1.00 48.50
ATOM 58 OE1 GLN A 28 -16.863 -52.718 29.667 1.00 45.46
ATOM 59 NE2 GLN A 28 -14.639 -52.245 29.658 1.00 45.98
ATOM 60 C GLN A 28 -16.187 -47.958 28.658 1.00 38.14
ATOM 61 O GLN A 28 -16.608 -48.257 27.544 1.00 30.41
ATOM 62 N VAL A 29 -16.189 -46.623 29.108 1.00 33.31
ATOM 63 CA VAL A 29 -16.593 -45.505 28.247 1.00 29.48
ATOM 64 CB VAL A 29 -16.662 -44.184 29.045 1.00 30.18
ATOM 65 CG1 VAL A 29 -16.860 -42.956 28.144 1.00 26.23
ATOM 66 CG2 VAL A 29 -17.829 -44.212 30.043 1.00 31.73
ATOM 67 C VAL A 29 -15.652 -45.400 27.043 1.00 28.50
ATOM 68 O VAL A 29 -16.124 -45.275 25.914 1.00 31.96
ATOM 69 N LYS A 30 -14.258 -45.516 27.252 1.00 32.06
ATOM 70 CA LYS A 30 -13.314 -45.537 26.128 1.00 28.85
ATOM 71 CB LYS A 30 -11.860 -45.457 26.615 1.00 27.56
ATOM 72 CG LYS A 30 -11.475 -44.014 26.970 1.00 30.38
ATOM 73 CD LYS A 30 -9.957 -43.888 27.135 1.00 37.35
ATOM 74 CE LYS A 30 -9.578 -42.414 27.305 1.00 45.14
ATOM 75 NZ LYS A 30 -8.112 -42.219 27.205 1.00 46.73
ATOM 76 C LYS A 30 -13.502 -46.748 25.213 1.00 38.78
ATOM 77 O LYS A 30 -13.376 -46.598 24.002 1.00 35.61
ATOM 78 N GLU A 31 -13.846 -47.983 25.782 1.00 34.56
ATOM 79 CA GLU A 31 -14.113 -49.175 24.973 1.00 34.31
ATOM 80 CB GLU A 31 -14.298 -50.392 25.897 1.00 41.58
ATOM 81 CG GLU A 31 -14.206 -51.716 25.125 1.00 42.87
ATOM 82 CD GLU A 31 -14.474 -52.928 26.027 1.00 61.52
ATOM 83 OE1 GLU A 31 -13.824 -53.021 27.095 1.00 52.52
ATOM 84 OE2 GLU A 31 -15.326 -53.755 25.637 1.00 56.48
ATOM 85 C GLU A 31 -15.330 -48.965 24.060 1.00 33.66
ATOM 86 O GLU A 31 -15.267 -49.261 22.870 1.00 37.64
ATOM 87 N ALA A 32 -16.472 -48.346 24.603 1.00 31.05
ATOM 88 CA ALA A 32 -17.648 -48.021 23.803 1.00 32.46
ATOM 89 CB ALA A 32 -18.749 -47.506 24.736 1.00 27.81
ATOM 90 C ALA A 32 -17.332 -47.003 22.695 1.00 35.01
ATOM 91 O ALA A 32 -17.793 -47.161 21.565 1.00 31.67
ATOM 92 N ILE A 33 -16.476 -45.925 23.007 1.00 28.12
ATOM 93 CA ILE A 33 -16.044 -44.934 22.013 1.00 37.28
ATOM 94 CB ILE A 33 -15.264 -43.786 22.701 1.00 32.15
ATOM 95 CG1 ILE A 33 -16.236 -42.928 23.547 1.00 30.23
ATOM 96 CD1 ILE A 33 -15.538 -42.002 24.552 1.00 26.62
ATOM 97 CG2 ILE A 33 -14.544 -42.885 21.677 1.00 26.76
ATOM 98 C ILE A 33 -15.245 -45.602 20.886 1.00 29.24
ATOM 99 O ILE A 33 -15.485 -45.298 19.719 1.00 30.15
ATOM 100 N ASP A 34 -14.285 -46.580 21.216 1.00 32.20
ATOM 101 CA ASP A 34 -13.550 -47.333 20.199 1.00 38.87
ATOM 102 CB ASP A 34 -12.517 -48.259 20.861 1.00 37.00
ATOM 103 CG ASP A 34 -11.787 -49.105 19.813 1.00 45.45
ATOM 104 OD1 ASP A 34 -10.993 -48.531 19.039 1.00 40.91
ATOM 105 OD2 ASP A 34 -12.055 -50.325 19.721 1.00 45.64
ATOM 106 C ASP A 34 -14.504 -48.130 19.304 1.00 38.23
ATOM 107 O ASP A 34 -14.417 -48.033 18.085 1.00 37.68
ATOM 108 N ILE A 35 -15.497 -48.909 19.926 1.00 35.11
ATOM 109 CA ILE A 35 -16.447 -49.745 19.186 1.00 37.61
ATOM 110 CB ILE A 35 -17.322 -50.543 20.184 1.00 34.76
ATOM 111 CG1 ILE A 35 -16.461 -51.624 20.884 1.00 40.89
ATOM 112 CD1 ILE A 35 -17.104 -52.200 22.153 1.00 39.74
ATOM 113 CG2 ILE A 35 -18.531 -51.206 19.493 1.00 33.46
ATOM 114 C ILE A 35 -17.274 -48.909 18.198 1.00 38.85
ATOM 115 O ILE A 35 -17.441 -49.315 17.050 1.00 34.35
ATOM 116 N VAL A 36 -17.798 -47.674 18.627 1.00 29.05
ATOM 117 CA VAL A 36 -18.613 -46.815 17.755 1.00 33.41
ATOM 118 CB VAL A 36 -19.317 -45.721 18.586 1.00 28.58
ATOM 119 CG1 VAL A 36 -20.017 -44.669 17.710 1.00 28.71
ATOM 120 CG2 VAL A 36 -20.389 -46.346 19.492 1.00 32.49
ATOM 121 C VAL A 36 -17.770 -46.208 16.630 1.00 33.24
ATOM 122 O VAL A 36 -18.126 -46.327 15.458 1.00 31.96
ATOM 123 N CYS A 37 -16.579 -45.543 16.972 1.00 31.68
ATOM 124 CA CYS A 37 -15.746 -44.875 15.974 1.00 36.11
ATOM 125 CB CYS A 37 -14.619 -44.121 16.687 1.00 31.95
ATOM 126 SG CYS A 37 -15.324 -42.687 17.549 1.00 32.31
ATOM 127 C CYS A 37 -15.189 -45.861 14.941 1.00 35.53
ATOM 128 O CYS A 37 -15.105 -45.539 13.756 1.00 30.86
ATOM 129 N ARG A 38 -14.820 -47.143 15.382 1.00 31.57
ATOM 130 CA ARG A 38 -14.322 -48.169 14.473 1.00 33.97
ATOM 131 CB ARG A 38 -13.409 -49.152 15.202 1.00 37.22
ATOM 132 CG ARG A 38 -12.088 -48.468 15.597 1.00 44.43
ATOM 133 CD ARG A 38 -10.954 -49.474 15.808 1.00 49.91
ATOM 134 NE ARG A 38 -11.298 -50.440 16.854 1.00 55.26
ATOM 135 CZ ARG A 38 -11.791 -51.660 16.702 1.00 65.76
ATOM 136 NH1 ARG A 38 -11.964 -52.234 15.528 1.00 62.80
ATOM 137 NH2 ARG A 38 -12.146 -52.321 17.776 1.00 70.02
ATOM 138 C ARG A 38 -15.427 -48.888 13.715 1.00 37.46
ATOM 139 O ARG A 38 -15.189 -49.264 12.575 1.00 41.55
ATOM 140 N PHE A 39 -16.717 -48.998 14.261 1.00 31.53
ATOM 141 CA PHE A 39 -17.846 -49.397 13.419 1.00 31.72
ATOM 142 CB PHE A 39 -19.148 -49.468 14.231 1.00 30.85
ATOM 143 CG PHE A 39 -20.383 -49.625 13.361 1.00 37.01
ATOM 144 CD1 PHE A 39 -20.707 -50.878 12.806 1.00 39.82
ATOM 145 CE1 PHE A 39 -21.803 -51.002 11.933 1.00 35.05
ATOM 146 CZ PHE A 39 -22.580 -49.875 11.614 1.00 39.52
ATOM 147 CE2 PHE A 39 -22.264 -48.623 12.172 1.00 36.28
ATOM 148 CD2 PHE A 39 -21.166 -48.498 13.042 1.00 34.49
ATOM 149 C PHE A 39 -17.981 -48.436 12.231 1.00 36.89
ATOM 150 O PHE A 39 -18.068 -48.885 11.090 1.00 36.12
ATOM 151 N LEU A 40 -17.923 -47.051 12.489 1.00 29.02
ATOM 152 CA LEU A 40 -17.998 -46.050 11.424 1.00 32.06
ATOM 153 CB LEU A 40 -18.047 -44.635 12.031 1.00 30.11
ATOM 154 CG LEU A 40 -19.319 -44.333 12.852 1.00 33.79
ATOM 155 CD1 LEU A 40 -19.174 -42.976 13.545 1.00 27.43
ATOM 156 CD2 LEU A 40 -20.583 -44.311 11.983 1.00 29.92
ATOM 157 C LEU A 40 -16.859 -46.193 10.398 1.00 35.08
ATOM 158 O LEU A 40 -17.110 -46.068 9.202 1.00 35.74
ATOM 159 N LYS A 41 -15.567 -46.508 10.870 1.00 35.57
ATOM 160 CA LYS A 41 -14.381 -46.614 10.004 1.00 39.08
ATOM 161 CB LYS A 41 -13.119 -46.419 10.858 1.00 30.45
ATOM 162 CG LYS A 41 -12.932 -44.965 11.318 1.00 31.70
ATOM 163 CD LYS A 41 -11.899 -44.806 12.445 1.00 34.47
ATOM 164 CE LYS A 41 -10.499 -45.312 12.065 1.00 31.28
ATOM 165 NZ LYS A 41 -10.265 -46.715 12.483 1.00 28.17
ATOM 166 C LYS A 41 -14.253 -47.936 9.232 1.00 40.81
ATOM 167 O LYS A 41 -13.622 -47.947 8.180 1.00 41.75
ATOM 168 N GLU A 42 -14.830 -49.101 9.766 1.00 36.47
ATOM 169 CA GLU A 42 -14.457 -50.453 9.319 1.00 39.36
ATOM 170 CB GLU A 42 -13.587 -51.144 10.397 1.00 36.07
ATOM 171 CG GLU A 42 -12.196 -50.510 10.605 1.00 33.61
ATOM 172 CD GLU A 42 -11.853 -50.239 12.079 1.00 42.98
ATOM 173 OE1 GLU A 42 -11.613 -49.050 12.400 1.00 44.67
ATOM 174 OE2 GLU A 42 -11.780 -51.201 12.882 1.00 46.77
ATOM 175 C GLU A 42 -15.660 -51.339 8.946 1.00 39.64
ATOM 176 O GLU A 42 -15.455 -52.429 8.412 1.00 39.49
ATOM 177 N ARG A 43 -16.980 -50.880 9.188 1.00 38.97
ATOM 178 CA ARG A 43 -18.161 -51.695 8.844 1.00 37.68
ATOM 179 CB ARG A 43 -18.485 -52.603 10.049 1.00 35.52
ATOM 180 CG ARG A 43 -19.615 -53.626 9.831 1.00 36.68
ATOM 181 CD ARG A 43 -19.382 -54.534 8.612 1.00 42.04
ATOM 182 NE ARG A 43 -20.511 -55.459 8.399 1.00 48.20
ATOM 183 CZ ARG A 43 -20.653 -56.684 8.890 1.00 45.13
ATOM 184 NH1 ARG A 43 -19.756 -57.230 9.680 1.00 42.40
ATOM 185 NH2 ARG A 43 -21.718 -57.391 8.591 1.00 43.95
ATOM 186 C ARG A 43 -19.401 -50.918 8.374 1.00 42.90
ATOM 187 O ARG A 43 -20.222 -51.490 7.664 1.00 41.77
ATOM 188 N CYS A 44 -19.563 -49.576 8.749 1.00 38.08
ATOM 189 CA CYS A 44 -20.740 -48.771 8.430 1.00 36.90
ATOM 190 CB CYS A 44 -20.599 -47.426 9.150 1.00 39.84
ATOM 191 SG CYS A 44 -22.109 -46.440 8.959 1.00 41.65
ATOM 192 C CYS A 44 -20.927 -48.600 6.917 1.00 44.32
ATOM 193 O CYS A 44 -22.019 -48.812 6.392 1.00 45.99
END
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elNémo
is maintained by Yves-Henri Sanejouand.
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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