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*** ***elNémo ID: 2603121148542313773Job options:ID = 2603121148542313773 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:SEQRES 1 A 29 ASN PHE THR GLU THR VAL ILE SER SER LEU SER PHE ILE SEQRES 2 A 29 ILE ILE PHE SER PHE ALA VAL GLY ILE MET TYR TYR PRO SEQRES 3 A 29 ARG ASN TRP HELIX 1 1 PHE A 2 TYR A 24 1 23 HELIX 2 2 PRO A 26 ASN A 28 1 3 ATOM 1 N ASN A 1 -14.607 -14.207 -2.954 1.00 86.31 N ATOM 2 CA ASN A 1 -15.527 -13.597 -3.936 1.00 90.72 C ATOM 3 C ASN A 1 -14.786 -12.571 -4.788 1.00 92.36 C ATOM 4 O ASN A 1 -13.791 -12.028 -4.334 1.00 89.16 O ATOM 5 CB ASN A 1 -16.731 -12.978 -3.205 1.00 84.51 C ATOM 6 CG ASN A 1 -17.600 -14.068 -2.622 1.00 76.01 C ATOM 7 OD1 ASN A 1 -17.561 -15.196 -3.096 1.00 70.17 O ATOM 8 ND2 ASN A 1 -18.329 -13.806 -1.573 1.00 70.68 N ATOM 9 N PHE A 2 -15.267 -12.301 -6.007 1.00 93.67 N ATOM 10 CA PHE A 2 -14.582 -11.378 -6.939 1.00 94.34 C ATOM 11 C PHE A 2 -14.272 -10.009 -6.298 1.00 94.99 C ATOM 12 O PHE A 2 -13.147 -9.527 -6.380 1.00 94.09 O ATOM 13 CB PHE A 2 -15.453 -11.208 -8.179 1.00 93.44 C ATOM 14 CG PHE A 2 -14.904 -10.219 -9.181 1.00 91.83 C ATOM 15 CD1 PHE A 2 -15.439 -8.917 -9.255 1.00 87.69 C ATOM 16 CD2 PHE A 2 -13.850 -10.587 -10.026 1.00 88.33 C ATOM 17 CE1 PHE A 2 -14.920 -7.990 -10.177 1.00 86.15 C ATOM 18 CE2 PHE A 2 -13.327 -9.664 -10.949 1.00 86.83 C ATOM 19 CZ PHE A 2 -13.864 -8.366 -11.019 1.00 86.09 C ATOM 20 N THR A 3 -15.230 -9.432 -5.589 1.00 94.05 N ATOM 21 CA THR A 3 -15.073 -8.141 -4.896 1.00 94.17 C ATOM 22 C THR A 3 -13.958 -8.165 -3.847 1.00 93.84 C ATOM 23 O THR A 3 -13.162 -7.240 -3.786 1.00 92.99 O ATOM 24 CB THR A 3 -16.393 -7.753 -4.219 1.00 93.26 C ATOM 25 OG1 THR A 3 -17.464 -7.933 -5.126 1.00 86.18 O ATOM 26 CG2 THR A 3 -16.415 -6.302 -3.760 1.00 80.90 C ATOM 27 N GLU A 4 -13.849 -9.225 -3.054 1.00 95.12 N ATOM 28 CA GLU A 4 -12.796 -9.376 -2.037 1.00 94.50 C ATOM 29 C GLU A 4 -11.423 -9.496 -2.691 1.00 95.09 C ATOM 30 O GLU A 4 -10.461 -8.874 -2.236 1.00 93.54 O ATOM 31 CB GLU A 4 -13.063 -10.624 -1.200 1.00 93.25 C ATOM 32 CG GLU A 4 -14.320 -10.501 -0.332 1.00 86.24 C ATOM 33 CD GLU A 4 -14.813 -11.848 0.210 1.00 79.45 C ATOM 34 OE1 GLU A 4 -15.644 -11.831 1.141 1.00 72.62 O ATOM 35 OE2 GLU A 4 -14.454 -12.894 -0.379 1.00 74.02 O ATOM 36 N THR A 5 -11.329 -10.217 -3.806 1.00 95.53 N ATOM 37 CA THR A 5 -10.091 -10.344 -4.578 1.00 95.71 C ATOM 38 C THR A 5 -9.647 -9.004 -5.147 1.00 96.08 C ATOM 39 O THR A 5 -8.464 -8.659 -5.053 1.00 94.66 O ATOM 40 CB THR A 5 -10.262 -11.352 -5.717 1.00 94.37 C ATOM 41 OG1 THR A 5 -10.759 -12.573 -5.208 1.00 85.88 O ATOM 42 CG2 THR A 5 -8.953 -11.661 -6.420 1.00 81.14 C ATOM 43 N VAL A 6 -10.567 -8.213 -5.682 1.00 95.65 N ATOM 44 CA VAL A 6 -10.273 -6.875 -6.216 1.00 95.71 C ATOM 45 C VAL A 6 -9.791 -5.938 -5.108 1.00 95.85 C ATOM 46 O VAL A 6 -8.742 -5.308 -5.261 1.00 95.84 O ATOM 47 CB VAL A 6 -11.496 -6.291 -6.948 1.00 94.79 C ATOM 48 CG1 VAL A 6 -11.299 -4.819 -7.337 1.00 90.04 C ATOM 49 CG2 VAL A 6 -11.747 -7.069 -8.240 1.00 89.25 C ATOM 50 N ILE A 7 -10.478 -5.886 -3.970 1.00 96.41 N ATOM 51 CA ILE A 7 -10.091 -5.051 -2.829 1.00 95.77 C ATOM 52 C ILE A 7 -8.715 -5.462 -2.295 1.00 95.63 C ATOM 53 O ILE A 7 -7.857 -4.599 -2.079 1.00 95.39 O ATOM 54 CB ILE A 7 -11.165 -5.101 -1.726 1.00 95.04 C ATOM 55 CG1 ILE A 7 -12.458 -4.409 -2.219 1.00 92.35 C ATOM 56 CG2 ILE A 7 -10.679 -4.431 -0.437 1.00 90.59 C ATOM 57 CD1 ILE A 7 -13.672 -4.654 -1.325 1.00 84.44 C ATOM 58 N SER A 8 -8.458 -6.756 -2.141 1.00 96.82 N ATOM 59 CA SER A 8 -7.172 -7.273 -1.681 1.00 96.62 C ATOM 60 C SER A 8 -6.041 -6.927 -2.654 1.00 96.97 C ATOM 61 O SER A 8 -4.977 -6.493 -2.220 1.00 96.00 O ATOM 62 CB SER A 8 -7.234 -8.793 -1.491 1.00 95.22 C ATOM 63 OG SER A 8 -8.227 -9.129 -0.550 1.00 79.94 O ATOM 64 N SER A 9 -6.273 -7.039 -3.947 1.00 96.42 N ATOM 65 CA SER A 9 -5.290 -6.699 -4.976 1.00 96.57 C ATOM 66 C SER A 9 -4.961 -5.203 -4.984 1.00 97.11 C ATOM 67 O SER A 9 -3.794 -4.834 -5.029 1.00 96.26 O ATOM 68 CB SER A 9 -5.788 -7.115 -6.366 1.00 95.74 C ATOM 69 OG SER A 9 -6.044 -8.498 -6.410 1.00 84.63 O ATOM 70 N LEU A 10 -5.969 -4.337 -4.872 1.00 96.56 N ATOM 71 CA LEU A 10 -5.769 -2.891 -4.792 1.00 96.39 C ATOM 72 C LEU A 10 -4.988 -2.499 -3.533 1.00 97.12 C ATOM 73 O LEU A 10 -4.037 -1.720 -3.614 1.00 97.23 O ATOM 74 CB LEU A 10 -7.126 -2.177 -4.814 1.00 95.90 C ATOM 75 CG LEU A 10 -7.818 -2.175 -6.191 1.00 87.52 C ATOM 76 CD1 LEU A 10 -9.243 -1.649 -6.040 1.00 80.78 C ATOM 77 CD2 LEU A 10 -7.084 -1.294 -7.190 1.00 83.11 C ATOM 78 N SER A 11 -5.331 -3.078 -2.385 1.00 96.74 N ATOM 79 CA SER A 11 -4.628 -2.846 -1.123 1.00 96.87 C ATOM 80 C SER A 11 -3.163 -3.271 -1.220 1.00 97.21 C ATOM 81 O SER A 11 -2.278 -2.531 -0.801 1.00 96.88 O ATOM 82 CB SER A 11 -5.310 -3.594 0.019 1.00 95.90 C ATOM 83 OG SER A 11 -6.661 -3.197 0.142 1.00 87.63 O ATOM 84 N PHE A 12 -2.895 -4.425 -1.827 1.00 96.92 N ATOM 85 CA PHE A 12 -1.535 -4.906 -2.048 1.00 96.89 C ATOM 86 C PHE A 12 -0.729 -3.950 -2.926 1.00 97.38 C ATOM 87 O PHE A 12 0.396 -3.603 -2.572 1.00 97.30 O ATOM 88 CB PHE A 12 -1.582 -6.308 -2.658 1.00 96.15 C ATOM 89 CG PHE A 12 -0.204 -6.900 -2.861 1.00 91.73 C ATOM 90 CD1 PHE A 12 0.422 -6.802 -4.112 1.00 86.25 C ATOM 91 CD2 PHE A 12 0.462 -7.499 -1.784 1.00 87.48 C ATOM 92 CE1 PHE A 12 1.723 -7.310 -4.283 1.00 84.32 C ATOM 93 CE2 PHE A 12 1.759 -7.999 -1.954 1.00 84.69 C ATOM 94 CZ PHE A 12 2.391 -7.907 -3.204 1.00 85.34 C ATOM 95 N ILE A 13 -1.289 -3.465 -4.027 1.00 97.15 N ATOM 96 CA ILE A 13 -0.620 -2.516 -4.929 1.00 97.13 C ATOM 97 C ILE A 13 -0.259 -1.223 -4.197 1.00 97.34 C ATOM 98 O ILE A 13 0.862 -0.730 -4.335 1.00 97.00 O ATOM 99 CB ILE A 13 -1.492 -2.241 -6.164 1.00 97.02 C ATOM 100 CG1 ILE A 13 -1.567 -3.502 -7.064 1.00 95.26 C ATOM 101 CG2 ILE A 13 -0.956 -1.058 -6.990 1.00 94.19 C ATOM 102 CD1 ILE A 13 -2.691 -3.457 -8.096 1.00 88.12 C ATOM 103 N ILE A 14 -1.164 -0.674 -3.385 1.00 97.07 N ATOM 104 CA ILE A 14 -0.928 0.552 -2.622 1.00 96.78 C ATOM 105 C ILE A 14 0.209 0.354 -1.614 1.00 96.63 C ATOM 106 O ILE A 14 1.153 1.135 -1.598 1.00 96.43 O ATOM 107 CB ILE A 14 -2.229 1.021 -1.939 1.00 96.72 C ATOM 108 CG1 ILE A 14 -3.257 1.473 -3.005 1.00 94.75 C ATOM 109 CG2 ILE A 14 -1.958 2.177 -0.949 1.00 93.23 C ATOM 110 CD1 ILE A 14 -4.686 1.614 -2.460 1.00 87.70 C ATOM 111 N ILE A 15 0.147 -0.712 -0.810 1.00 97.35 N ATOM 112 CA ILE A 15 1.171 -1.024 0.195 1.00 97.08 C ATOM 113 C ILE A 15 2.527 -1.263 -0.472 1.00 96.85 C ATOM 114 O ILE A 15 3.543 -0.725 -0.030 1.00 96.38 O ATOM 115 CB ILE A 15 0.734 -2.234 1.043 1.00 96.70 C ATOM 116 CG1 ILE A 15 -0.504 -1.866 1.900 1.00 94.64 C ATOM 117 CG2 ILE A 15 1.873 -2.722 1.958 1.00 93.37 C ATOM 118 CD1 ILE A 15 -1.204 -3.076 2.506 1.00 87.94 C ATOM 119 N PHE A 16 2.554 -2.029 -1.559 1.00 96.26 N ATOM 120 CA PHE A 16 3.781 -2.328 -2.277 1.00 95.50 C ATOM 121 C PHE A 16 4.399 -1.070 -2.891 1.00 95.45 C ATOM 122 O PHE A 16 5.595 -0.837 -2.732 1.00 95.21 O ATOM 123 CB PHE A 16 3.492 -3.383 -3.346 1.00 94.96 C ATOM 124 CG PHE A 16 4.744 -3.870 -4.035 1.00 91.60 C ATOM 125 CD1 PHE A 16 5.104 -3.361 -5.294 1.00 86.26 C ATOM 126 CD2 PHE A 16 5.568 -4.811 -3.396 1.00 87.70 C ATOM 127 CE1 PHE A 16 6.286 -3.798 -5.915 1.00 86.40 C ATOM 128 CE2 PHE A 16 6.749 -5.246 -4.023 1.00 86.85 C ATOM 129 CZ PHE A 16 7.107 -4.738 -5.278 1.00 87.33 C ATOM 130 N SER A 17 3.607 -0.202 -3.504 1.00 95.42 N ATOM 131 CA SER A 17 4.083 1.062 -4.071 1.00 95.13 C ATOM 132 C SER A 17 4.675 1.976 -2.997 1.00 94.62 C ATOM 133 O SER A 17 5.709 2.601 -3.216 1.00 93.92 O ATOM 134 CB SER A 17 2.945 1.799 -4.780 1.00 94.96 C ATOM 135 OG SER A 17 2.416 1.012 -5.825 1.00 85.20 O ATOM 136 N PHE A 18 4.059 2.026 -1.815 1.00 94.77 N ATOM 137 CA PHE A 18 4.575 2.793 -0.682 1.00 93.52 C ATOM 138 C PHE A 18 5.900 2.229 -0.167 1.00 93.31 C ATOM 139 O PHE A 18 6.866 2.977 0.014 1.00 92.65 O ATOM 140 CB PHE A 18 3.505 2.820 0.409 1.00 92.68 C ATOM 141 CG PHE A 18 3.865 3.725 1.569 1.00 88.25 C ATOM 142 CD1 PHE A 18 4.317 3.179 2.780 1.00 83.20 C ATOM 143 CD2 PHE A 18 3.729 5.116 1.429 1.00 83.04 C ATOM 144 CE1 PHE A 18 4.619 4.022 3.864 1.00 80.68 C ATOM 145 CE2 PHE A 18 4.026 5.958 2.504 1.00 80.15 C ATOM 146 CZ PHE A 18 4.470 5.418 3.731 1.00 80.67 C ATOM 147 N ALA A 19 5.998 0.902 -0.001 1.00 95.24 N ATOM 148 CA ALA A 19 7.227 0.237 0.425 1.00 94.74 C ATOM 149 C ALA A 19 8.384 0.465 -0.562 1.00 94.43 C ATOM 150 O ALA A 19 9.499 0.792 -0.140 1.00 93.31 O ATOM 151 CB ALA A 19 6.932 -1.257 0.605 1.00 94.13 C ATOM 152 N VAL A 20 8.125 0.385 -1.859 1.00 94.64 N ATOM 153 CA VAL A 20 9.098 0.705 -2.904 1.00 93.97 C ATOM 154 C VAL A 20 9.528 2.167 -2.817 1.00 93.50 C ATOM 155 O VAL A 20 10.724 2.457 -2.853 1.00 92.56 O ATOM 156 CB VAL A 20 8.521 0.361 -4.294 1.00 93.07 C ATOM 157 CG1 VAL A 20 9.384 0.876 -5.447 1.00 90.04 C ATOM 158 CG2 VAL A 20 8.409 -1.158 -4.466 1.00 89.63 C ATOM 159 N GLY A 21 8.601 3.095 -2.616 1.00 94.26 N ATOM 160 CA GLY A 21 8.906 4.513 -2.441 1.00 93.39 C ATOM 161 C GLY A 21 9.877 4.764 -1.284 1.00 92.91 C ATOM 162 O GLY A 21 10.874 5.466 -1.468 1.00 91.58 O ATOM 163 N ILE A 22 9.660 4.158 -0.124 1.00 93.22 N ATOM 164 CA ILE A 22 10.558 4.255 1.031 1.00 92.25 C ATOM 165 C ILE A 22 11.929 3.641 0.718 1.00 92.12 C ATOM 166 O ILE A 22 12.959 4.229 1.041 1.00 91.25 O ATOM 167 CB ILE A 22 9.932 3.580 2.269 1.00 91.04 C ATOM 168 CG1 ILE A 22 8.669 4.350 2.722 1.00 87.42 C ATOM 169 CG2 ILE A 22 10.938 3.507 3.436 1.00 84.91 C ATOM 170 CD1 ILE A 22 7.816 3.565 3.727 1.00 79.63 C ATOM 171 N MET A 23 11.955 2.487 0.077 1.00 93.25 N ATOM 172 CA MET A 23 13.194 1.770 -0.231 1.00 92.56 C ATOM 173 C MET A 23 14.110 2.564 -1.168 1.00 92.27 C ATOM 174 O MET A 23 15.326 2.596 -0.965 1.00 90.32 O ATOM 175 CB MET A 23 12.841 0.401 -0.822 1.00 91.26 C ATOM 176 CG MET A 23 14.091 -0.445 -1.105 1.00 83.59 C ATOM 177 SD MET A 23 13.715 -2.093 -1.749 1.00 74.54 S ATOM 178 CE MET A 23 15.398 -2.682 -2.039 1.00 66.08 C ATOM 179 N TYR A 24 13.550 3.226 -2.183 1.00 92.47 N ATOM 180 CA TYR A 24 14.327 3.965 -3.185 1.00 91.03 C ATOM 181 C TYR A 24 14.555 5.440 -2.821 1.00 90.27 C ATOM 182 O TYR A 24 15.523 6.043 -3.298 1.00 88.43 O ATOM 183 CB TYR A 24 13.664 3.810 -4.552 1.00 89.63 C ATOM 184 CG TYR A 24 13.871 2.437 -5.171 1.00 84.61 C ATOM 185 CD1 TYR A 24 15.107 2.120 -5.762 1.00 79.68 C ATOM 186 CD2 TYR A 24 12.850 1.479 -5.142 1.00 79.56 C ATOM 187 CE1 TYR A 24 15.315 0.846 -6.323 1.00 77.91 C ATOM 188 CE2 TYR A 24 13.051 0.204 -5.697 1.00 78.28 C ATOM 189 CZ TYR A 24 14.285 -0.110 -6.290 1.00 78.26 C ATOM 190 OH TYR A 24 14.484 -1.352 -6.832 1.00 76.27 O ATOM 191 N TYR A 25 13.721 6.024 -1.960 1.00 90.24 N ATOM 192 CA TYR A 25 13.820 7.422 -1.536 1.00 88.77 C ATOM 193 C TYR A 25 13.859 7.575 -0.010 1.00 87.35 C ATOM 194 O TYR A 25 13.061 8.320 0.558 1.00 84.62 O ATOM 195 CB TYR A 25 12.696 8.231 -2.187 1.00 86.94 C ATOM 196 CG TYR A 25 12.706 8.173 -3.701 1.00 80.60 C ATOM 197 CD1 TYR A 25 13.614 8.962 -4.435 1.00 76.64 C ATOM 198 CD2 TYR A 25 11.826 7.312 -4.374 1.00 75.66 C ATOM 199 CE1 TYR A 25 13.639 8.892 -5.838 1.00 73.25 C ATOM 200 CE2 TYR A 25 11.851 7.236 -5.775 1.00 73.56 C ATOM 201 CZ TYR A 25 12.756 8.031 -6.510 1.00 72.63 C ATOM 202 OH TYR A 25 12.775 7.966 -7.875 1.00 69.76 O ATOM 203 N PRO A 26 14.818 6.918 0.702 1.00 86.40 N ATOM 204 CA PRO A 26 14.867 6.920 2.163 1.00 84.93 C ATOM 205 C PRO A 26 15.161 8.297 2.759 1.00 84.37 C ATOM 206 O PRO A 26 14.858 8.544 3.921 1.00 79.80 O ATOM 207 CB PRO A 26 15.958 5.905 2.522 1.00 82.56 C ATOM 208 CG PRO A 26 16.892 5.939 1.315 1.00 78.87 C ATOM 209 CD PRO A 26 15.928 6.155 0.157 1.00 81.70 C ATOM 210 N ARG A 27 15.740 9.219 1.993 1.00 83.83 N ATOM 211 CA ARG A 27 16.073 10.583 2.452 1.00 80.50 C ATOM 212 C ARG A 27 14.872 11.518 2.536 1.00 77.76 C ATOM 213 O ARG A 27 15.033 12.636 3.025 1.00 74.09 O ATOM 214 CB ARG A 27 17.136 11.206 1.543 1.00 78.66 C ATOM 215 CG ARG A 27 18.458 10.445 1.587 1.00 71.17 C ATOM 216 CD ARG A 27 19.509 11.220 0.805 1.00 68.40 C ATOM 217 NE ARG A 27 20.801 10.527 0.805 1.00 62.45 N ATOM 218 CZ ARG A 27 21.918 10.964 0.244 1.00 59.32 C ATOM 219 NH1 ARG A 27 21.964 12.115 -0.375 1.00 55.81 N ATOM 220 NH2 ARG A 27 23.009 10.243 0.298 1.00 53.02 N ATOM 221 N ASN A 28 13.721 11.088 2.050 1.00 78.06 N ATOM 222 CA ASN A 28 12.490 11.873 2.115 1.00 74.62 C ATOM 223 C ASN A 28 11.706 11.619 3.411 1.00 73.31 C ATOM 224 O ASN A 28 10.589 12.118 3.539 1.00 71.44 O ATOM 225 CB ASN A 28 11.649 11.595 0.864 1.00 72.69 C ATOM 226 CG ASN A 28 12.293 12.075 -0.431 1.00 69.05 C ATOM 227 OD1 ASN A 28 13.215 12.877 -0.470 1.00 63.70 O ATOM 228 ND2 ASN A 28 11.797 11.593 -1.557 1.00 62.72 N ATOM 229 N TRP A 29 12.279 10.837 4.337 1.00 76.58 N ATOM 230 CA TRP A 29 11.663 10.436 5.597 1.00 74.01 C ATOM 231 C TRP A 29 12.592 10.750 6.777 1.00 69.17 C ATOM 232 O TRP A 29 13.820 10.660 6.594 1.00 63.51 O ATOM 233 CB TRP A 29 11.298 8.953 5.546 1.00 69.46 C ATOM 234 CG TRP A 29 10.353 8.581 4.440 1.00 63.68 C ATOM 235 CD1 TRP A 29 10.708 8.254 3.180 1.00 60.22 C ATOM 236 CD2 TRP A 29 8.898 8.541 4.472 1.00 61.07 C ATOM 237 NE1 TRP A 29 9.582 8.023 2.420 1.00 57.51 N ATOM 238 CE2 TRP A 29 8.445 8.187 3.168 1.00 61.63 C ATOM 239 CE3 TRP A 29 7.932 8.775 5.466 1.00 55.37 C ATOM 240 CZ2 TRP A 29 7.082 8.085 2.860 1.00 56.52 C ATOM 241 CZ3 TRP A 29 6.563 8.664 5.161 1.00 56.04 C ATOM 242 CH2 TRP A 29 6.132 8.325 3.872 1.00 53.69 C ATOM 243 OXT TRP A 29 12.047 11.038 7.849 1.00 60.24 O TER 244 TRP A 29 END If you find results from this site helpful for your research, please cite one of our papers:
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