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*** ***elNémo ID: 2403090107092413824Job options:ID = 2403090107092413824 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 314 MET ARG LYS PRO ILE LEU ALA ALA LEU THR LEU ALA GLY SEQRES 2 A 314 LEU GLY LEU ALA GLN GLU PHE ILE THR ILE GLY SER GLY SEQRES 3 A 314 SER THR THR GLY VAL TYR PHE PRO VAL ALA THR GLY ILE SEQRES 4 A 314 ALA LYS LEU VAL ASN ASP ALA ASN VAL GLY ILE ARG ALA SEQRES 5 A 314 ASN ALA ARG SER THR GLY GLY SER VAL ALA ASN ILE ASN SEQRES 6 A 314 ALA ILE ASN ALA GLY GLU PHE GLU MSE ALA LEU ALA GLN SEQRES 7 A 314 ASN ASP ILE ALA TYR TYR ALA TYR GLN GLY CYS CYS ILE SEQRES 8 A 314 PRO ALA PHE GLU GLY LYS PRO VAL LYS THR ILE ARG ALA SEQRES 9 A 314 LEU ALA ALA LEU TYR PRO GLU VAL VAL HIS VAL VAL ALA SEQRES 10 A 314 ARG LYS ASP ALA GLY ILE ARG THR VAL ALA ASP LEU LYS SEQRES 11 A 314 GLY LYS ARG VAL VAL VAL GLY ASP VAL GLY SER GLY THR SEQRES 12 A 314 GLU GLN ASN ALA ARG GLN ILE LEU GLU ALA TYR GLY LEU SEQRES 13 A 314 THR PHE ASP ASP LEU GLY GLN ALA ILE ARG VAL SER ALA SEQRES 14 A 314 SER GLN GLY ILE GLN LEU MSE GLN ASP LYS ARG ALA ASP SEQRES 15 A 314 ALA LEU PHE TYR THR VAL GLY LEU GLY ALA SER ALA ILE SEQRES 16 A 314 GLN GLN LEU ALA LEU THR THR PRO ILE ALA LEU VAL ALA SEQRES 17 A 314 VAL ASP LEU ASN ARG ILE GLN ALA ILE ALA LYS LYS TYR SEQRES 18 A 314 PRO PHE TYR VAL GLY PHE ASN ILE PRO GLY GLY THR TYR SEQRES 19 A 314 LYS GLY VAL ASP VAL THR THR PRO THR VAL ALA VAL GLN SEQRES 20 A 314 ALA MSE LEU ILE ALA SER GLU ARG LEU SER GLU GLU THR SEQRES 21 A 314 VAL TYR LYS PHE MSE LYS ALA VAL PHE GLY ASN LEU GLU SEQRES 22 A 314 ALA PHE LYS LYS ILE HIS PRO ASN LEU GLU ARG PHE PHE SEQRES 23 A 314 GLY LEU GLU LYS ALA VAL LYS GLY LEU PRO ILE PRO LEU SEQRES 24 A 314 HIS PRO GLY ALA GLU ARG PHE TYR LYS GLU ALA GLY VAL SEQRES 25 A 314 LEU LYS HELIX 1 1 VAL A 31 ALA A 46 1 16 HELIX 2 2 GLY A 59 ALA A 69 1 11 HELIX 3 3 ASN A 79 GLY A 88 1 10 HELIX 4 4 THR A 125 LYS A 130 1 6 HELIX 5 5 SER A 141 TYR A 154 1 14 HELIX 6 6 THR A 157 LEU A 161 1 5 HELIX 7 7 SER A 168 ASP A 178 1 11 HELIX 8 8 ALA A 192 THR A 202 1 11 HELIX 9 9 ASP A 210 ALA A 216 1 7 HELIX 10 10 SER A 257 PHE A 269 1 13 HELIX 11 11 ASN A 271 LYS A 277 1 7 HELIX 12 12 HIS A 279 PHE A 286 1 8 HELIX 13 13 GLY A 287 VAL A 292 1 6 HELIX 14 14 HIS A 300 ALA A 310 1 11 SHEET 1 1 1 GLU A 19 GLY A 24 0 SHEET 2 2 1 ILE A 50 ARG A 55 0 SHEET 3 3 1 MSE A 74 GLN A 78 0 SHEET 4 4 1 ILE A 102 ARG A 118 0 SHEET 5 5 1 VAL A 225 ILE A 229 0 SHEET 6 6 1 THR A 241 SER A 253 0 SSBOND 1 CYS A 89 CYS A 90 1555 1555 2.05 CRYST1 51.518 68.092 81.381 90.00 90.00 90.00 P 21 21 21 4 ATOM 1 N VAL A 31 48.427 37.081 66.884 1.00 4.72 N ATOM 2 CA VAL A 31 47.465 37.521 67.885 1.00 4.53 C ATOM 3 C VAL A 31 46.180 36.690 67.813 1.00 3.73 C ATOM 4 O VAL A 31 45.527 36.446 68.829 1.00 3.42 O ATOM 5 CB VAL A 31 47.150 39.031 67.724 1.00 3.84 C ATOM 6 CG1 VAL A 31 46.087 39.459 68.733 1.00 4.30 C ATOM 7 CG2 VAL A 31 48.421 39.844 67.949 1.00 4.81 C ATOM 8 N TYR A 32 45.818 36.248 66.614 1.00 5.53 N ATOM 9 CA TYR A 32 44.624 35.419 66.458 1.00 4.35 C ATOM 10 C TYR A 32 44.677 34.189 67.370 1.00 5.99 C ATOM 11 O TYR A 32 43.697 33.857 68.042 1.00 4.64 O ATOM 12 CB TYR A 32 44.496 34.901 65.026 1.00 3.34 C ATOM 13 CG TYR A 32 43.968 35.859 63.986 1.00 3.25 C ATOM 14 CD1 TYR A 32 43.628 37.179 64.297 1.00 4.87 C ATOM 15 CD2 TYR A 32 43.808 35.429 62.670 1.00 1.25 C ATOM 16 CE1 TYR A 32 43.141 38.046 63.307 1.00 3.89 C ATOM 17 CE2 TYR A 32 43.327 36.274 61.687 1.00 3.98 C ATOM 18 CZ TYR A 32 42.999 37.576 62.003 1.00 4.54 C ATOM 19 OH TYR A 32 42.561 38.398 60.990 1.00 6.50 O ATOM 20 N SER A 60 43.451 34.184 57.647 1.00 1.63 N ATOM 21 CA SER A 60 42.125 34.489 57.114 1.00 2.76 C ATOM 22 C SER A 60 41.579 33.652 55.960 1.00 2.23 C ATOM 23 O SER A 60 40.453 33.155 56.035 1.00 3.26 O ATOM 24 CB SER A 60 42.051 35.968 56.721 1.00 3.99 C ATOM 25 OG SER A 60 42.177 36.801 57.861 1.00 4.74 O ATOM 26 N GLN A 78 40.257 38.855 58.790 1.00 2.66 N ATOM 27 CA GLN A 78 40.285 40.287 58.511 1.00 2.94 C ATOM 28 C GLN A 78 38.972 40.691 57.857 1.00 4.57 C ATOM 29 O GLN A 78 38.384 39.914 57.103 1.00 3.40 O ATOM 30 CB GLN A 78 41.451 40.616 57.576 1.00 4.71 C ATOM 31 CG GLN A 78 42.805 40.203 58.127 1.00 5.17 C ATOM 32 CD GLN A 78 43.955 40.429 57.157 1.00 2.59 C ATOM 33 OE1 GLN A 78 45.077 39.996 57.413 1.00 6.56 O ATOM 34 NE2 GLN A 78 43.685 41.111 56.045 1.00 3.14 N ATOM 35 N PRO A 110 42.204 46.569 65.641 1.00 6.57 N ATOM 36 CA PRO A 110 42.878 46.884 64.378 1.00 7.00 C ATOM 37 C PRO A 110 44.051 45.962 64.072 1.00 5.63 C ATOM 38 O PRO A 110 44.853 45.655 64.951 1.00 6.55 O ATOM 39 CB APRO A 110 43.340 48.330 64.577 0.50 6.50 C ATOM 40 CB BPRO A 110 43.339 48.323 64.579 0.50 6.49 C ATOM 41 CG APRO A 110 43.624 48.362 66.042 0.50 1.25 C ATOM 42 CG BPRO A 110 42.434 48.855 65.646 0.50 2.29 C ATOM 43 CD PRO A 110 42.388 47.685 66.584 1.00 6.39 C ATOM 44 N GLU A 111 44.139 45.522 62.823 1.00 4.44 N ATOM 45 CA GLU A 111 45.247 44.692 62.382 1.00 4.38 C ATOM 46 C GLU A 111 46.081 45.592 61.489 1.00 5.44 C ATOM 47 O GLU A 111 45.631 46.039 60.431 1.00 7.00 O ATOM 48 CB GLU A 111 44.744 43.482 61.613 1.00 6.20 C ATOM 49 CG GLU A 111 44.010 42.513 62.501 1.00 5.54 C ATOM 50 CD GLU A 111 43.910 41.147 61.878 1.00 7.34 C ATOM 51 OE1 GLU A 111 42.864 40.849 61.269 1.00 9.97 O ATOM 52 OE2 GLU A 111 44.893 40.380 61.994 1.00 5.92 O ATOM 53 N VAL A 112 47.300 45.856 61.933 1.00 5.13 N ATOM 54 CA VAL A 112 48.202 46.754 61.232 1.00 5.65 C ATOM 55 C VAL A 112 49.166 46.031 60.307 1.00 6.07 C ATOM 56 O VAL A 112 49.700 44.979 60.647 1.00 6.20 O ATOM 57 CB VAL A 112 48.999 47.581 62.258 1.00 8.38 C ATOM 58 CG1 VAL A 112 49.698 48.742 61.573 1.00 9.23 C ATOM 59 CG2 VAL A 112 48.051 48.091 63.347 1.00 9.25 C ATOM 60 CA ARG A 118 66.576 43.995 58.525 1.00 8.85 C ATOM 61 CB ARG A 118 67.430 42.807 58.069 1.00 8.60 C ATOM 62 CG ARG A 118 66.920 41.463 58.570 1.00 11.57 C ATOM 63 CD ARG A 118 67.925 40.346 58.314 1.00 13.23 C ATOM 64 NE ARG A 118 68.149 40.122 56.891 1.00 28.01 N ATOM 65 CZ ARG A 118 69.314 40.308 56.278 1.00 34.59 C ATOM 66 NH1 ARG A 118 70.369 40.722 56.966 1.00 37.04 N ATOM 67 NH2 ARG A 118 69.422 40.080 54.977 1.00 37.41 N ATOM 68 CA ARG A 133 64.015 37.921 49.809 1.00 6.09 C ATOM 69 CB ARG A 133 65.051 37.002 50.449 1.00 8.78 C ATOM 70 CG ARG A 133 66.159 36.584 49.494 1.00 13.47 C ATOM 71 CD ARG A 133 67.314 35.964 50.256 1.00 16.69 C ATOM 72 NE ARG A 133 67.907 36.921 51.187 1.00 16.35 N ATOM 73 CZ ARG A 133 68.903 36.634 52.018 1.00 15.95 C ATOM 74 NH1 ARG A 133 69.420 35.412 52.036 1.00 16.75 N ATOM 75 NH2 ARG A 133 69.383 37.568 52.828 1.00 19.15 N ATOM 76 N GLY A 137 53.890 36.426 53.758 1.00 7.30 N ATOM 77 CA GLY A 137 52.774 35.983 54.572 1.00 6.97 C ATOM 78 C GLY A 137 52.699 34.478 54.484 1.00 9.61 C ATOM 79 O GLY A 137 53.403 33.865 53.683 1.00 10.65 O ATOM 80 N ASP A 138 51.843 33.873 55.295 1.00 6.31 N ATOM 81 CA ASP A 138 51.717 32.426 55.285 1.00 6.42 C ATOM 82 C ASP A 138 50.798 31.969 54.159 1.00 7.31 C ATOM 83 O ASP A 138 50.095 32.774 53.540 1.00 6.23 O ATOM 84 CB ASP A 138 51.156 31.948 56.625 1.00 6.88 C ATOM 85 CG ASP A 138 51.556 30.523 56.953 1.00 9.38 C ATOM 86 OD1 ASP A 138 52.144 29.846 56.080 1.00 9.15 O ATOM 87 OD2 ASP A 138 51.282 30.084 58.091 1.00 10.47 O ATOM 88 N SER A 141 47.042 33.074 54.084 1.00 4.69 N ATOM 89 CA SER A 141 46.990 34.214 54.990 1.00 5.35 C ATOM 90 C SER A 141 46.306 35.435 54.392 1.00 9.31 C ATOM 91 O SER A 141 46.200 35.576 53.169 1.00 7.18 O ATOM 92 CB SER A 141 48.404 34.622 55.398 1.00 11.08 C ATOM 93 OG SER A 141 49.108 35.145 54.281 1.00 6.51 O ATOM 94 N GLY A 142 45.845 36.320 55.270 1.00 7.80 N ATOM 95 CA GLY A 142 45.238 37.553 54.810 1.00 4.55 C ATOM 96 C GLY A 142 46.418 38.445 54.469 1.00 3.85 C ATOM 97 O GLY A 142 46.361 39.266 53.550 1.00 5.05 O ATOM 98 N THR A 143 47.505 38.254 55.219 1.00 5.13 N ATOM 99 CA THR A 143 48.740 39.015 55.039 1.00 4.44 C ATOM 100 C THR A 143 49.204 39.012 53.580 1.00 6.42 C ATOM 101 O THR A 143 49.542 40.061 53.030 1.00 5.21 O ATOM 102 CB THR A 143 49.887 38.439 55.918 1.00 5.60 C ATOM 103 OG1 THR A 143 49.544 38.554 57.305 1.00 5.27 O ATOM 104 CG2 THR A 143 51.190 39.190 55.665 1.00 3.38 C ATOM 105 CA GLU A 144 49.670 37.745 51.561 1.00 6.48 C ATOM 106 CB GLU A 144 49.606 36.302 51.051 1.00 7.37 C ATOM 107 CG GLU A 144 50.308 36.142 49.708 1.00 10.70 C ATOM 108 CD GLU A 144 50.133 34.772 49.087 1.00 16.58 C ATOM 109 OE1 GLU A 144 50.059 33.778 49.837 1.00 22.33 O ATOM 110 OE2 GLU A 144 50.091 34.693 47.838 1.00 15.52 O ATOM 111 CA ARG A 166 55.247 31.894 52.312 1.00 9.16 C ATOM 112 CB ARG A 166 54.158 31.390 51.360 1.00 12.88 C ATOM 113 CG ARG A 166 53.822 32.345 50.229 1.00 13.57 C ATOM 114 CD ARG A 166 52.789 31.731 49.290 1.00 22.18 C ATOM 115 NE ARG A 166 52.391 32.646 48.225 1.00 29.02 N ATOM 116 CZ ARG A 166 53.193 33.071 47.253 1.00 34.33 C ATOM 117 NH1 ARG A 166 54.456 32.666 47.199 1.00 36.63 N ATOM 118 NH2 ARG A 166 52.729 33.903 46.330 1.00 32.03 N ATOM 119 N VAL A 167 55.513 31.385 54.668 1.00 6.09 N ATOM 120 CA VAL A 167 55.723 30.544 55.845 1.00 6.79 C ATOM 121 C VAL A 167 54.977 31.131 57.039 1.00 11.20 C ATOM 122 O VAL A 167 54.410 32.218 56.943 1.00 9.59 O ATOM 123 CB VAL A 167 57.226 30.463 56.210 1.00 8.81 C ATOM 124 CG1 VAL A 167 57.987 29.680 55.147 1.00 9.39 C ATOM 125 CG2 VAL A 167 57.802 31.871 56.335 1.00 7.98 C ATOM 126 N SER A 168 54.990 30.412 58.161 1.00 7.29 N ATOM 127 CA SER A 168 54.325 30.864 59.383 1.00 8.08 C ATOM 128 C SER A 168 55.113 32.010 60.006 1.00 11.42 C ATOM 129 O SER A 168 56.242 32.285 59.604 1.00 8.54 O ATOM 130 CB SER A 168 54.246 29.724 60.398 1.00 11.26 C ATOM 131 OG SER A 168 55.534 29.438 60.929 1.00 9.99 O ATOM 132 N ALA A 169 54.518 32.669 60.998 1.00 8.96 N ATOM 133 CA ALA A 169 55.184 33.774 61.677 1.00 8.77 C ATOM 134 C ALA A 169 56.469 33.302 62.351 1.00 10.43 C ATOM 135 O ALA A 169 57.501 33.968 62.268 1.00 9.11 O ATOM 136 CB ALA A 169 54.248 34.395 62.709 1.00 6.00 C ATOM 137 CA ASP A 182 65.472 40.491 54.127 1.00 8.77 C ATOM 138 CB ASP A 182 65.891 41.100 52.790 1.00 8.09 C ATOM 139 CG ASP A 182 67.014 40.335 52.130 1.00 12.41 C ATOM 140 OD1 ASP A 182 68.067 40.170 52.775 1.00 14.34 O ATOM 141 OD2 ASP A 182 66.845 39.905 50.970 1.00 12.87 O ATOM 142 N PHE A 185 56.317 40.675 55.816 1.00 3.66 N ATOM 143 CA PHE A 185 55.019 41.337 55.931 1.00 4.73 C ATOM 144 C PHE A 185 54.195 40.560 56.943 1.00 2.91 C ATOM 145 O PHE A 185 54.270 39.334 56.991 1.00 6.44 O ATOM 146 CB PHE A 185 54.225 41.277 54.625 1.00 4.40 C ATOM 147 CG PHE A 185 54.609 42.310 53.615 1.00 6.42 C ATOM 148 CD1 PHE A 185 55.760 42.163 52.851 1.00 10.27 C ATOM 149 CD2 PHE A 185 53.786 43.410 53.392 1.00 6.02 C ATOM 150 CE1 PHE A 185 56.085 43.098 51.874 1.00 10.23 C ATOM 151 CE2 PHE A 185 54.104 44.353 52.416 1.00 5.95 C ATOM 152 CZ PHE A 185 55.251 44.196 51.656 1.00 9.91 C ATOM 153 N TYR A 186 53.397 41.270 57.731 1.00 2.47 N ATOM 154 CA TYR A 186 52.512 40.626 58.691 1.00 5.19 C ATOM 155 C TYR A 186 51.374 41.583 59.006 1.00 5.77 C ATOM 156 O TYR A 186 51.592 42.653 59.576 1.00 6.02 O ATOM 157 CB TYR A 186 53.260 40.257 59.985 1.00 2.24 C ATOM 158 CG TYR A 186 52.603 39.152 60.808 1.00 6.07 C ATOM 159 CD1 TYR A 186 51.517 38.422 60.311 1.00 5.68 C ATOM 160 CD2 TYR A 186 53.128 38.781 62.050 1.00 7.56 C ATOM 161 CE1 TYR A 186 50.979 37.341 61.029 1.00 3.70 C ATOM 162 CE2 TYR A 186 52.596 37.703 62.774 1.00 7.15 C ATOM 163 CZ TYR A 186 51.529 36.987 62.254 1.00 7.22 C ATOM 164 OH TYR A 186 51.041 35.893 62.938 1.00 7.73 O ATOM 165 N THR A 187 50.164 41.223 58.589 1.00 3.98 N ATOM 166 CA THR A 187 48.992 42.041 58.890 1.00 1.25 C ATOM 167 C THR A 187 48.560 41.449 60.225 1.00 3.55 C ATOM 168 O THR A 187 47.991 40.359 60.275 1.00 3.32 O ATOM 169 CB THR A 187 47.884 41.844 57.852 1.00 1.73 C ATOM 170 OG1 THR A 187 48.367 42.246 56.562 1.00 5.20 O ATOM 171 CG2 THR A 187 46.665 42.686 58.212 1.00 5.86 C ATOM 172 N VAL A 188 48.827 42.167 61.307 1.00 2.32 N ATOM 173 CA VAL A 188 48.535 41.628 62.621 1.00 3.46 C ATOM 174 C VAL A 188 48.339 42.715 63.664 1.00 3.73 C ATOM 175 O VAL A 188 48.752 43.857 63.471 1.00 3.27 O ATOM 176 CB VAL A 188 49.700 40.700 63.047 1.00 5.59 C ATOM 177 CG1 VAL A 188 50.990 41.505 63.145 1.00 6.24 C ATOM 178 CG2 VAL A 188 49.390 40.006 64.369 1.00 5.89 C ATOM 179 CA GLU A 258 21.058 30.756 66.867 1.00 6.65 C ATOM 180 CB GLU A 258 19.673 31.352 66.584 1.00 10.59 C ATOM 181 CG GLU A 258 19.329 32.620 67.350 1.00 13.41 C ATOM 182 CD GLU A 258 18.959 32.342 68.798 1.00 19.52 C ATOM 183 OE1 GLU A 258 18.240 31.351 69.045 1.00 20.38 O ATOM 184 OE2 GLU A 258 19.374 33.117 69.686 1.00 22.36 O ATOM 185 CA GLU A 259 20.848 29.278 70.368 1.00 7.47 C ATOM 186 CB GLU A 259 19.978 28.094 70.793 1.00 10.97 C ATOM 187 CG GLU A 259 18.501 28.423 70.910 1.00 23.74 C ATOM 188 CD GLU A 259 18.227 29.475 71.970 1.00 27.63 C ATOM 189 OE1 GLU A 259 18.657 29.281 73.127 1.00 30.92 O ATOM 190 OE2 GLU A 259 17.579 30.491 71.644 1.00 28.33 O ATOM 191 CA ARG A 305 20.086 38.719 69.544 1.00 9.95 C ATOM 192 CB ARG A 305 19.670 37.269 69.781 1.00 7.46 C ATOM 193 CG ARG A 305 18.891 37.062 71.062 1.00 9.08 C ATOM 194 CD ARG A 305 18.543 35.606 71.248 1.00 14.13 C ATOM 195 NE ARG A 305 17.972 35.368 72.568 1.00 17.33 N ATOM 196 CZ ARG A 305 17.729 34.164 73.069 1.00 14.54 C ATOM 197 NH1 ARG A 305 18.005 33.078 72.360 1.00 14.95 N ATOM 198 NH2 ARG A 305 17.214 34.046 74.285 1.00 21.26 N ATOM 199 CA GLU A 309 19.649 42.613 74.340 1.00 12.69 C ATOM 200 CB GLU A 309 19.778 41.164 74.815 1.00 13.88 C ATOM 201 CG GLU A 309 18.552 40.317 74.525 1.00 15.59 C ATOM 202 CD GLU A 309 18.761 38.847 74.838 1.00 19.47 C ATOM 203 OE1 GLU A 309 19.580 38.531 75.729 1.00 21.96 O ATOM 204 OE2 GLU A 309 18.094 38.007 74.201 1.00 21.47 O TER 205 LYS A 314 HETATM 206 C1 EDO A1314 54.254 36.589 58.710 1.00 12.07 C HETATM 207 O1 EDO A1314 53.176 37.121 57.940 1.00 6.91 O HETATM 208 C2 EDO A1314 54.622 35.199 58.225 1.00 16.44 C HETATM 209 O2 EDO A1314 53.479 34.328 58.274 1.00 16.80 O HETATM 210 O HOH A2007 47.762 34.088 65.404 1.00 6.74 O HETATM 211 O HOH A2047 48.834 34.411 58.970 1.00 5.96 O HETATM 212 O HOH A2087 45.860 40.017 64.475 1.00 2.59 O HETATM 213 O HOH A2234 49.164 34.446 61.700 1.00 4.50 O HETATM 214 O HOH A2235 50.749 35.837 57.532 1.00 10.43 O CONECT 206 207 208 CONECT 207 206 CONECT 208 206 209 CONECT 209 208 END If you find results from this site helpful for your research, please cite one of our papers:
elNémo
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