Project name: TBX3 R248
Status: done
Started: 2026-06-12 07:46:51
| Chain sequence(s) |
A: MSLSMRDPVIPGTSMAYHPFLPHRAPDFAMSAVLGHQPPFFPALTLPPNGAAALSLPGALAKPIMDQLVGAAETGIPFSSLGPQAHLRPLKTMEPEEEVEDDPKVHLEAKELWDQFHKRGTEMVITKSGRRMFPPFKVRCSGLDKKAKYILLMDIIAADDCRYKFHNSRWMVAGKADPEMPKRMYIHPDSPATGEQWMSKVVTFHKLKLTNNISDKHGFTILNSMHKYQPRFHIVRANDILKLPYSTFRTYLFPETEFIAVTAYQNDKITQLKIDNNPFAKGFRDTGNGRREKRKQLTLQSMRVFDERHKKENGTSDESSSEQAAFNCFAQASSPAASTVGTSNLKDLCPSEGESDAEAESKEEHGPEACDAAKISTTTSEEPCRDKGSPAVKAHLFAAERPRDSGRLDKASPDSRHSPATISSSTRGLGAEERRSPVREGTAPAKVEEARALPGKEAFAPLTVQTDAAAAHLAQGPLPGLGFAPGLAGQQFFNGHPLFLHPSQFAMGGAFSSMAAAGMGPLLATVSGASTGVSGLDSTAMASAAAAQGLSGASAATLPFHLQQHVLASQGLAMSPFGSLFPYPYTYMAAAAAASSAAASSSVHRHPFLNLNTMRPRLRYSPYSIPVPVPDGSSLLTTALPSMAAAAGPLDGKVAALAASPASVAVDSGSELNSRSSTLSSSSMSLSPKLCAEKEAATSELQSIQRLVSGLEAKPDRSRSASP
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:06:20)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:12:54)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:12:58)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:13:03)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:13:08)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:13:13)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:13:18)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:13:23)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:13:28)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:13:33)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:13:38)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:13:43)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:13:48)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:13:53)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:14:05)
[INFO] Main: Simulation completed successfully. (02:14:11)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -5.8824
- Maximal score value
- 2.5867
- Average score
- -0.5019
- Total score value
- -362.9011
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.6376 | |
| 2 | S | A | 1.2361 | |
| 3 | L | A | 1.7945 | |
| 4 | S | A | 1.0402 | |
| 5 | M | A | 0.0742 | |
| 6 | R | A | -2.4689 | |
| 7 | D | A | -2.5510 | |
| 8 | P | A | -1.2990 | |
| 9 | V | A | -0.7093 | |
| 10 | I | A | 0.1871 | |
| 11 | P | A | -0.1454 | |
| 12 | G | A | -0.0022 | |
| 13 | T | A | 0.0812 | |
| 14 | S | A | -0.2416 | |
| 15 | M | A | 0.0000 | |
| 16 | A | A | 0.1967 | |
| 17 | Y | A | 0.5490 | |
| 18 | H | A | 0.3261 | |
| 19 | P | A | 0.7238 | |
| 20 | F | A | 2.0622 | |
| 21 | L | A | 1.5565 | |
| 22 | P | A | 0.1806 | |
| 23 | H | A | -0.4348 | |
| 24 | R | A | -1.5961 | |
| 25 | A | A | -0.3980 | |
| 26 | P | A | -0.5131 | |
| 27 | D | A | -1.1085 | |
| 28 | F | A | 0.7859 | |
| 29 | A | A | 0.8966 | |
| 30 | M | A | 1.5790 | |
| 31 | S | A | 1.3977 | |
| 32 | A | A | 1.5224 | |
| 33 | V | A | 2.5867 | |
| 34 | L | A | 2.3059 | |
| 35 | G | A | 0.9711 | |
| 36 | H | A | -0.6207 | |
| 37 | Q | A | -1.0066 | |
| 38 | P | A | -0.3167 | |
| 39 | P | A | 0.1486 | |
| 40 | F | A | 1.3147 | |
| 41 | F | A | 2.0929 | |
| 42 | P | A | 1.1959 | |
| 43 | A | A | 1.3596 | |
| 44 | L | A | 1.8378 | |
| 45 | T | A | 1.1956 | |
| 46 | L | A | 1.1430 | |
| 47 | P | A | 0.1474 | |
| 48 | P | A | -0.4317 | |
| 49 | N | A | -1.0883 | |
| 50 | G | A | -0.9007 | |
| 51 | A | A | -0.1304 | |
| 52 | A | A | 0.2709 | |
| 53 | A | A | 0.9082 | |
| 54 | L | A | 1.7715 | |
| 55 | S | A | 1.3766 | |
| 56 | L | A | 2.0146 | |
| 57 | P | A | 0.7384 | |
| 58 | G | A | 0.7240 | |
| 59 | A | A | 0.7542 | |
| 60 | L | A | 1.4293 | |
| 61 | A | A | 1.0817 | |
| 62 | K | A | 0.1265 | |
| 63 | P | A | 1.0065 | |
| 64 | I | A | 1.3103 | |
| 65 | M | A | 0.5845 | |
| 66 | D | A | -1.2903 | |
| 67 | Q | A | -0.9875 | |
| 68 | L | A | 0.9140 | |
| 69 | V | A | 0.4339 | |
| 70 | G | A | -0.2464 | |
| 71 | A | A | -0.2566 | |
| 72 | A | A | -0.7994 | |
| 73 | E | A | -1.4169 | |
| 74 | T | A | -0.8124 | |
| 75 | G | A | 0.2041 | |
| 76 | I | A | 1.9914 | |
| 77 | P | A | 1.6278 | |
| 78 | F | A | 2.5425 | |
| 79 | S | A | 1.2884 | |
| 80 | S | A | 1.0879 | |
| 81 | L | A | 1.6773 | |
| 82 | G | A | 0.2951 | |
| 83 | P | A | -0.2984 | |
| 84 | Q | A | -1.0049 | |
| 85 | A | A | -0.4457 | |
| 86 | H | A | -0.9519 | |
| 87 | L | A | 0.0694 | |
| 88 | R | A | -1.4818 | |
| 89 | P | A | -1.2012 | |
| 90 | L | A | -0.8176 | |
| 91 | K | A | -2.0190 | |
| 92 | T | A | -1.1790 | |
| 93 | M | A | -1.0003 | |
| 94 | E | A | -1.5558 | |
| 95 | P | A | -1.4823 | |
| 96 | E | A | 0.0000 | |
| 97 | E | A | -2.0216 | |
| 98 | E | A | -1.8263 | |
| 99 | V | A | -0.3139 | |
| 100 | E | A | -0.7949 | |
| 101 | D | A | -1.0766 | |
| 102 | D | A | -1.2662 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.4300 | |
| 105 | V | A | -0.7839 | |
| 106 | H | A | -1.3631 | |
| 107 | L | A | -1.1251 | |
| 108 | E | A | -1.6213 | |
| 109 | A | A | 0.0000 | |
| 110 | K | A | -2.4136 | |
| 111 | E | A | -2.1636 | |
| 112 | L | A | 0.0000 | |
| 113 | W | A | 0.0000 | |
| 114 | D | A | -2.3186 | |
| 115 | Q | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | H | A | -1.5747 | |
| 118 | K | A | -2.4450 | |
| 119 | R | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | E | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | T | A | -1.5353 | |
| 127 | K | A | -2.2890 | |
| 128 | S | A | -1.3155 | |
| 129 | G | A | 0.0000 | |
| 130 | R | A | 0.0000 | |
| 131 | R | A | -1.2486 | |
| 132 | M | A | -0.5975 | |
| 133 | F | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | P | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | K | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | R | A | -1.3029 | |
| 140 | C | A | 0.0000 | |
| 141 | S | A | -1.1627 | |
| 142 | G | A | -1.2029 | |
| 143 | L | A | 0.0000 | |
| 144 | D | A | -1.9472 | |
| 145 | K | A | -2.3146 | |
| 146 | K | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | K | A | -1.2810 | |
| 149 | Y | A | 0.0000 | |
| 150 | I | A | -0.3536 | |
| 151 | L | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | M | A | 0.0000 | |
| 154 | D | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | I | A | 0.0487 | |
| 157 | A | A | -0.8394 | |
| 158 | A | A | -0.9244 | |
| 159 | D | A | -2.2604 | |
| 160 | D | A | -2.9537 | |
| 161 | C | A | -2.5591 | |
| 162 | R | A | -2.4897 | |
| 163 | Y | A | 0.0000 | |
| 164 | K | A | -1.9536 | |
| 165 | F | A | -1.1744 | |
| 166 | H | A | -1.1803 | |
| 167 | N | A | 0.0000 | |
| 168 | S | A | -1.3578 | |
| 169 | R | A | -2.3118 | |
| 170 | W | A | -1.7906 | |
| 171 | M | A | 0.0000 | |
| 172 | V | A | -0.9588 | |
| 173 | A | A | -1.0301 | |
| 174 | G | A | -1.8485 | |
| 175 | K | A | -3.0184 | |
| 176 | A | A | -2.6414 | |
| 177 | D | A | -2.8409 | |
| 178 | P | A | -1.9002 | |
| 179 | E | A | 0.0000 | |
| 180 | M | A | 0.2904 | |
| 181 | P | A | 0.9177 | |
| 182 | K | A | 0.0000 | |
| 183 | R | A | 0.0000 | |
| 184 | M | A | 0.8893 | |
| 185 | Y | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | H | A | 0.0000 | |
| 188 | P | A | -0.8354 | |
| 189 | D | A | -1.5968 | |
| 190 | S | A | 0.0000 | |
| 191 | P | A | -2.1132 | |
| 192 | A | A | 0.0000 | |
| 193 | T | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | E | A | -2.2650 | |
| 196 | Q | A | -1.7136 | |
| 197 | W | A | 0.0000 | |
| 198 | M | A | -0.8822 | |
| 199 | S | A | -1.0740 | |
| 200 | K | A | -1.1330 | |
| 201 | V | A | -0.8427 | |
| 202 | V | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | H | A | -1.1949 | |
| 206 | K | A | -2.2957 | |
| 207 | L | A | 0.0000 | |
| 208 | K | A | -1.1977 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | 0.0000 | |
| 211 | N | A | -1.9301 | |
| 212 | N | A | -2.3463 | |
| 213 | I | A | -0.5819 | |
| 214 | S | A | -1.3117 | |
| 215 | D | A | -2.8199 | |
| 216 | K | A | -2.5531 | |
| 217 | H | A | -1.9920 | |
| 218 | G | A | -0.8346 | |
| 219 | F | A | 0.0000 | |
| 220 | T | A | 0.0000 | |
| 221 | I | A | -0.1771 | |
| 222 | L | A | 0.0000 | |
| 223 | N | A | -0.9780 | |
| 224 | S | A | -0.6433 | |
| 225 | M | A | -0.5447 | |
| 226 | H | A | 0.0000 | |
| 227 | K | A | -0.9220 | |
| 228 | Y | A | 0.0000 | |
| 229 | Q | A | -0.4054 | |
| 230 | P | A | 0.0000 | |
| 231 | R | A | 0.0166 | |
| 232 | F | A | 0.0000 | |
| 233 | H | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | R | A | -0.8997 | |
| 237 | A | A | -0.8638 | |
| 238 | N | A | -1.2340 | |
| 239 | D | A | -0.4503 | |
| 240 | I | A | 0.6550 | |
| 241 | L | A | 1.2142 | |
| 242 | K | A | -0.5019 | |
| 243 | L | A | 0.0000 | |
| 244 | P | A | 0.0000 | |
| 245 | Y | A | 1.0844 | |
| 246 | S | A | 0.0380 | |
| 247 | T | A | 0.0072 | |
| 248 | F | A | 0.0000 | |
| 249 | R | A | 0.0000 | |
| 250 | T | A | 0.0000 | |
| 251 | Y | A | 0.0000 | |
| 252 | L | A | 0.6663 | |
| 253 | F | A | 0.2798 | |
| 254 | P | A | -0.5859 | |
| 255 | E | A | -1.2704 | |
| 256 | T | A | 0.0000 | |
| 257 | E | A | -0.9422 | |
| 258 | F | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | T | A | -0.1886 | |
| 263 | A | A | -0.2271 | |
| 264 | Y | A | 0.0000 | |
| 265 | Q | A | -0.8836 | |
| 266 | N | A | 0.0000 | |
| 267 | D | A | -1.5425 | |
| 268 | K | A | -1.5079 | |
| 269 | I | A | 0.0000 | |
| 270 | T | A | 0.0000 | |
| 271 | Q | A | -1.6264 | |
| 272 | L | A | 0.0000 | |
| 273 | K | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | D | A | -0.5979 | |
| 276 | N | A | 0.0000 | |
| 277 | N | A | 0.0000 | |
| 278 | P | A | 0.2214 | |
| 279 | F | A | 1.5462 | |
| 280 | A | A | 0.0000 | |
| 281 | K | A | -1.1518 | |
| 282 | G | A | -1.3433 | |
| 283 | F | A | -1.3948 | |
| 284 | R | A | -2.6378 | |
| 285 | D | A | -2.3935 | |
| 286 | T | A | -2.2494 | |
| 287 | G | A | -2.7819 | |
| 288 | N | A | -3.4728 | |
| 289 | G | A | -4.2109 | |
| 290 | R | A | -5.5157 | |
| 291 | R | A | -5.8452 | |
| 292 | E | A | -5.8824 | |
| 293 | K | A | -5.6071 | |
| 294 | R | A | -5.1656 | |
| 295 | K | A | -4.5202 | |
| 296 | Q | A | -3.1269 | |
| 297 | L | A | -1.0817 | |
| 298 | T | A | -0.6369 | |
| 299 | L | A | 0.6734 | |
| 300 | Q | A | -0.2910 | |
| 301 | S | A | 0.6064 | |
| 302 | M | A | 0.4813 | |
| 303 | R | A | -1.3762 | |
| 304 | V | A | -0.2876 | |
| 305 | F | A | -1.2346 | |
| 306 | D | A | -3.6968 | |
| 307 | E | A | -4.2668 | |
| 308 | R | A | -4.2641 | |
| 309 | H | A | -4.4454 | |
| 310 | K | A | -4.7573 | |
| 311 | K | A | -4.6148 | |
| 312 | E | A | -4.0648 | |
| 313 | N | A | -3.4668 | |
| 314 | G | A | -2.0265 | |
| 315 | T | A | -1.8602 | |
| 316 | S | A | -2.2165 | |
| 317 | D | A | -2.9859 | |
| 318 | E | A | -2.8466 | |
| 319 | S | A | -1.6142 | |
| 320 | S | A | -1.1100 | |
| 321 | S | A | -0.8887 | |
| 322 | E | A | -2.2303 | |
| 323 | Q | A | -1.7723 | |
| 324 | A | A | -0.8831 | |
| 325 | A | A | -0.6979 | |
| 326 | F | A | -1.2516 | |
| 327 | N | A | -1.8332 | |
| 328 | C | A | -0.6340 | |
| 329 | F | A | 0.0638 | |
| 330 | A | A | -0.0493 | |
| 331 | Q | A | -1.1662 | |
| 332 | A | A | -0.4529 | |
| 333 | S | A | -1.0188 | |
| 334 | S | A | -1.2011 | |
| 335 | P | A | -0.5765 | |
| 336 | A | A | -0.1874 | |
| 337 | A | A | -0.1359 | |
| 338 | S | A | 0.0192 | |
| 339 | T | A | 0.1055 | |
| 340 | V | A | 1.2848 | |
| 341 | G | A | -0.2960 | |
| 342 | T | A | -0.9001 | |
| 343 | S | A | -1.2982 | |
| 344 | N | A | -1.7667 | |
| 345 | L | A | -1.0578 | |
| 346 | K | A | -2.1966 | |
| 347 | D | A | -1.8960 | |
| 348 | L | A | 0.0724 | |
| 349 | C | A | -0.0726 | |
| 350 | P | A | -0.7760 | |
| 351 | S | A | -1.7767 | |
| 352 | E | A | -3.3399 | |
| 353 | G | A | -3.1645 | |
| 354 | E | A | -4.2289 | |
| 355 | S | A | -3.3828 | |
| 356 | D | A | -4.2320 | |
| 357 | A | A | -3.8737 | |
| 358 | E | A | -4.2783 | |
| 359 | A | A | -3.9854 | |
| 360 | E | A | -4.4790 | |
| 361 | S | A | -3.5193 | |
| 362 | K | A | -4.0462 | |
| 363 | E | A | -4.2888 | |
| 364 | E | A | -4.0616 | |
| 365 | H | A | -2.9443 | |
| 366 | G | A | -2.0749 | |
| 367 | P | A | -1.8845 | |
| 368 | E | A | -2.3145 | |
| 369 | A | A | -0.5879 | |
| 370 | C | A | -0.0238 | |
| 371 | D | A | -1.2832 | |
| 372 | A | A | -0.6571 | |
| 373 | A | A | -0.6418 | |
| 374 | K | A | -1.0298 | |
| 375 | I | A | 1.0644 | |
| 376 | S | A | 0.2888 | |
| 377 | T | A | 0.0413 | |
| 378 | T | A | -0.0149 | |
| 379 | T | A | -0.8778 | |
| 380 | S | A | -1.6649 | |
| 381 | E | A | -2.8794 | |
| 382 | E | A | -3.2552 | |
| 383 | P | A | -2.2956 | |
| 384 | C | A | -2.3234 | |
| 385 | R | A | -2.9395 | |
| 386 | D | A | -3.0648 | |
| 387 | K | A | -2.2317 | |
| 388 | G | A | -1.8095 | |
| 389 | S | A | -1.3390 | |
| 390 | P | A | -1.0432 | |
| 391 | A | A | -1.0619 | |
| 392 | V | A | 0.0000 | |
| 393 | K | A | -2.2667 | |
| 394 | A | A | -1.0919 | |
| 395 | H | A | -0.9730 | |
| 396 | L | A | -0.0155 | |
| 397 | F | A | 0.3131 | |
| 398 | A | A | -0.2448 | |
| 399 | A | A | -0.5013 | |
| 400 | E | A | -2.2746 | |
| 401 | R | A | -3.1405 | |
| 402 | P | A | -2.8918 | |
| 403 | R | A | -4.3203 | |
| 404 | D | A | -3.7062 | |
| 405 | S | A | -2.6559 | |
| 406 | G | A | -1.7700 | |
| 407 | R | A | -1.8052 | |
| 408 | L | A | 0.0285 | |
| 409 | D | A | -1.8765 | |
| 410 | K | A | -2.2142 | |
| 411 | A | A | -0.9466 | |
| 412 | S | A | -0.8181 | |
| 413 | P | A | -1.4082 | |
| 414 | D | A | -1.9904 | |
| 415 | S | A | -2.3964 | |
| 416 | R | A | -3.2589 | |
| 417 | H | A | -2.9664 | |
| 418 | S | A | -2.2809 | |
| 419 | P | A | -1.0326 | |
| 420 | A | A | -0.3391 | |
| 421 | T | A | 0.3698 | |
| 422 | I | A | 1.5141 | |
| 423 | S | A | 0.6682 | |
| 424 | S | A | -0.3125 | |
| 425 | S | A | -0.4877 | |
| 426 | T | A | -1.0730 | |
| 427 | R | A | -1.6594 | |
| 428 | G | A | -1.0088 | |
| 429 | L | A | -0.4173 | |
| 430 | G | A | -1.0724 | |
| 431 | A | A | -1.9551 | |
| 432 | E | A | -3.4038 | |
| 433 | E | A | -4.2038 | |
| 434 | R | A | -4.1610 | |
| 435 | R | A | -3.5715 | |
| 436 | S | A | -2.0196 | |
| 437 | P | A | -1.2183 | |
| 438 | V | A | -0.7229 | |
| 439 | R | A | -2.2184 | |
| 440 | E | A | -1.5905 | |
| 441 | G | A | -1.0341 | |
| 442 | T | A | -1.0786 | |
| 443 | A | A | -0.8510 | |
| 444 | P | A | -0.6867 | |
| 445 | A | A | -0.2794 | |
| 446 | K | A | -0.8982 | |
| 447 | V | A | 0.1140 | |
| 448 | E | A | -1.9112 | |
| 449 | E | A | -2.2243 | |
| 450 | A | A | -1.3270 | |
| 451 | R | A | -1.7580 | |
| 452 | A | A | -0.5546 | |
| 453 | L | A | 0.4525 | |
| 454 | P | A | -0.9172 | |
| 455 | G | A | -1.2211 | |
| 456 | K | A | -2.1677 | |
| 457 | E | A | -2.0839 | |
| 458 | A | A | -0.3575 | |
| 459 | F | A | 1.7954 | |
| 460 | A | A | 1.4784 | |
| 461 | P | A | 1.4158 | |
| 462 | L | A | 2.4272 | |
| 463 | T | A | 1.6112 | |
| 464 | V | A | 1.6388 | |
| 465 | Q | A | -0.1781 | |
| 466 | T | A | -0.7413 | |
| 467 | D | A | -1.1021 | |
| 468 | A | A | -0.4387 | |
| 469 | A | A | -0.3171 | |
| 470 | A | A | 0.0527 | |
| 471 | A | A | 0.2010 | |
| 472 | H | A | 0.2360 | |
| 473 | L | A | 1.0112 | |
| 474 | A | A | -0.1465 | |
| 475 | Q | A | -0.5230 | |
| 476 | G | A | -0.1699 | |
| 477 | P | A | 0.1759 | |
| 478 | L | A | 0.5605 | |
| 479 | P | A | 0.2330 | |
| 480 | G | A | 0.6558 | |
| 481 | L | A | 1.7364 | |
| 482 | G | A | 1.1147 | |
| 483 | F | A | 2.0189 | |
| 484 | A | A | 1.1072 | |
| 485 | P | A | 0.6246 | |
| 486 | G | A | 0.4027 | |
| 487 | L | A | 1.2625 | |
| 488 | A | A | 0.4683 | |
| 489 | G | A | -0.0458 | |
| 490 | Q | A | -0.1164 | |
| 491 | Q | A | 0.8255 | |
| 492 | F | A | 2.1429 | |
| 493 | F | A | 1.9391 | |
| 494 | N | A | 0.6547 | |
| 495 | G | A | -0.1182 | |
| 496 | H | A | -0.1654 | |
| 497 | P | A | 0.6070 | |
| 498 | L | A | 2.2444 | |
| 499 | F | A | 2.4155 | |
| 500 | L | A | 2.1351 | |
| 501 | H | A | 0.0437 | |
| 502 | P | A | -0.2552 | |
| 503 | S | A | -0.4421 | |
| 504 | Q | A | -0.4078 | |
| 505 | F | A | 1.4945 | |
| 506 | A | A | 1.2075 | |
| 507 | M | A | 1.3061 | |
| 508 | G | A | 0.5219 | |
| 509 | G | A | 0.1852 | |
| 510 | A | A | 0.1204 | |
| 511 | F | A | 0.5200 | |
| 512 | S | A | 0.0717 | |
| 513 | S | A | 0.4651 | |
| 514 | M | A | 0.6546 | |
| 515 | A | A | 0.3248 | |
| 516 | A | A | 0.1876 | |
| 517 | A | A | 0.1959 | |
| 518 | G | A | 0.0607 | |
| 519 | M | A | 0.4681 | |
| 520 | G | A | 0.1249 | |
| 521 | P | A | 0.7220 | |
| 522 | L | A | 1.7305 | |
| 523 | L | A | 0.0000 | |
| 524 | A | A | 1.1028 | |
| 525 | T | A | 1.0785 | |
| 526 | V | A | 0.4791 | |
| 527 | S | A | 0.1767 | |
| 528 | G | A | -0.1178 | |
| 529 | A | A | -0.2496 | |
| 530 | S | A | -0.5560 | |
| 531 | T | A | -0.3459 | |
| 532 | G | A | -0.1985 | |
| 533 | V | A | 0.9219 | |
| 534 | S | A | 0.1311 | |
| 535 | G | A | -0.5862 | |
| 536 | L | A | -0.3591 | |
| 537 | D | A | -1.8689 | |
| 538 | S | A | -1.2126 | |
| 539 | T | A | -0.6054 | |
| 540 | A | A | 0.1020 | |
| 541 | M | A | 1.2710 | |
| 542 | A | A | 0.7654 | |
| 543 | S | A | 0.5782 | |
| 544 | A | A | 0.3678 | |
| 545 | A | A | 0.0442 | |
| 546 | A | A | 0.1297 | |
| 547 | A | A | -0.2418 | |
| 548 | Q | A | -0.6527 | |
| 549 | G | A | -0.3314 | |
| 550 | L | A | 1.0212 | |
| 551 | S | A | 0.1125 | |
| 552 | G | A | -0.1996 | |
| 553 | A | A | 0.1152 | |
| 554 | S | A | 0.5484 | |
| 555 | A | A | 0.8683 | |
| 556 | A | A | 1.2540 | |
| 557 | T | A | 1.1875 | |
| 558 | L | A | 1.7480 | |
| 559 | P | A | 1.1069 | |
| 560 | F | A | 1.9437 | |
| 561 | H | A | 0.6860 | |
| 562 | L | A | 1.6863 | |
| 563 | Q | A | 0.0000 | |
| 564 | Q | A | -0.2627 | |
| 565 | H | A | -0.2217 | |
| 566 | V | A | 1.0829 | |
| 567 | L | A | 1.2107 | |
| 568 | A | A | 0.5746 | |
| 569 | S | A | 0.0923 | |
| 570 | Q | A | -0.0512 | |
| 571 | G | A | 0.4159 | |
| 572 | L | A | 1.4597 | |
| 573 | A | A | 1.5108 | |
| 574 | M | A | 1.7905 | |
| 575 | S | A | 1.2491 | |
| 576 | P | A | 0.9938 | |
| 577 | F | A | 1.7125 | |
| 578 | G | A | 0.3442 | |
| 579 | S | A | 0.2495 | |
| 580 | L | A | 0.4312 | |
| 581 | F | A | 1.3074 | |
| 582 | P | A | 0.7825 | |
| 583 | Y | A | 1.0478 | |
| 584 | P | A | 1.0577 | |
| 585 | Y | A | 1.4263 | |
| 586 | T | A | 1.2110 | |
| 587 | Y | A | 1.9354 | |
| 588 | M | A | 1.7510 | |
| 589 | A | A | 1.2858 | |
| 590 | A | A | 1.3191 | |
| 591 | A | A | 1.2927 | |
| 592 | A | A | 1.2208 | |
| 593 | A | A | 0.4689 | |
| 594 | A | A | 0.2297 | |
| 595 | S | A | -0.1361 | |
| 596 | S | A | 0.0628 | |
| 597 | A | A | 0.3449 | |
| 598 | A | A | 0.4771 | |
| 599 | A | A | 0.6078 | |
| 600 | S | A | 0.6281 | |
| 601 | S | A | 0.1083 | |
| 602 | S | A | -0.5456 | |
| 603 | V | A | -0.6411 | |
| 604 | H | A | -2.3244 | |
| 605 | R | A | -2.7465 | |
| 606 | H | A | -1.5828 | |
| 607 | P | A | -0.1516 | |
| 608 | F | A | 1.6811 | |
| 609 | L | A | 0.8919 | |
| 610 | N | A | -0.2717 | |
| 611 | L | A | 0.2445 | |
| 612 | N | A | -0.0921 | |
| 613 | T | A | 0.2959 | |
| 614 | M | A | 0.5611 | |
| 615 | R | A | -1.1371 | |
| 616 | P | A | -0.9990 | |
| 617 | R | A | -1.7139 | |
| 618 | L | A | -0.2431 | |
| 619 | R | A | -1.1247 | |
| 620 | Y | A | 0.3492 | |
| 621 | S | A | -0.2429 | |
| 622 | P | A | -0.1312 | |
| 623 | Y | A | 1.1025 | |
| 624 | S | A | 1.1257 | |
| 625 | I | A | 1.9090 | |
| 626 | P | A | 1.0782 | |
| 627 | V | A | 1.0625 | |
| 628 | P | A | 0.7638 | |
| 629 | V | A | 0.3737 | |
| 630 | P | A | -0.3424 | |
| 631 | D | A | -1.6214 | |
| 632 | G | A | -1.2256 | |
| 633 | S | A | -0.5549 | |
| 634 | S | A | 0.0053 | |
| 635 | L | A | 1.0118 | |
| 636 | L | A | 2.2401 | |
| 637 | T | A | 1.1709 | |
| 638 | T | A | 1.0200 | |
| 639 | A | A | 1.2319 | |
| 640 | L | A | 1.8917 | |
| 641 | P | A | 0.7377 | |
| 642 | S | A | 0.8761 | |
| 643 | M | A | 1.8222 | |
| 644 | A | A | 0.8740 | |
| 645 | A | A | 0.9923 | |
| 646 | A | A | 0.4256 | |
| 647 | A | A | 0.2607 | |
| 648 | G | A | 0.5760 | |
| 649 | P | A | 0.5836 | |
| 650 | L | A | 1.0324 | |
| 651 | D | A | -0.9593 | |
| 652 | G | A | -0.9837 | |
| 653 | K | A | -1.0938 | |
| 654 | V | A | 1.0785 | |
| 655 | A | A | 0.8138 | |
| 656 | A | A | 1.3783 | |
| 657 | L | A | 2.0579 | |
| 658 | A | A | 1.1219 | |
| 659 | A | A | 0.5945 | |
| 660 | S | A | 0.3122 | |
| 661 | P | A | 0.4662 | |
| 662 | A | A | 0.7301 | |
| 663 | S | A | 0.8637 | |
| 664 | V | A | 1.9386 | |
| 665 | A | A | 1.0837 | |
| 666 | V | A | 0.9907 | |
| 667 | D | A | -1.1221 | |
| 668 | S | A | -0.6325 | |
| 669 | G | A | -0.6393 | |
| 670 | S | A | -0.6949 | |
| 671 | E | A | -0.7327 | |
| 672 | L | A | 0.2469 | |
| 673 | N | A | -1.1774 | |
| 674 | S | A | -1.5242 | |
| 675 | R | A | -2.1398 | |
| 676 | S | A | -1.0059 | |
| 677 | S | A | -0.0902 | |
| 678 | T | A | 0.7191 | |
| 679 | L | A | 1.5402 | |
| 680 | S | A | 0.5638 | |
| 681 | S | A | -0.0228 | |
| 682 | S | A | 0.1011 | |
| 683 | S | A | 0.1802 | |
| 684 | M | A | 0.5723 | |
| 685 | S | A | 0.6987 | |
| 686 | L | A | 1.0924 | |
| 687 | S | A | 0.8310 | |
| 688 | P | A | 0.2957 | |
| 689 | K | A | -0.3981 | |
| 690 | L | A | 1.1235 | |
| 691 | C | A | -0.3430 | |
| 692 | A | A | -0.9381 | |
| 693 | E | A | -2.9180 | |
| 694 | K | A | -2.8181 | |
| 695 | E | A | -2.3384 | |
| 696 | A | A | -2.0774 | |
| 697 | A | A | -1.2565 | |
| 698 | T | A | -1.0505 | |
| 699 | S | A | -1.3454 | |
| 700 | E | A | -0.9304 | |
| 701 | L | A | 0.0174 | |
| 702 | Q | A | -1.4151 | |
| 703 | S | A | 0.0000 | |
| 704 | I | A | 0.0000 | |
| 705 | Q | A | -1.6995 | |
| 706 | R | A | -2.2141 | |
| 707 | L | A | 0.0000 | |
| 708 | V | A | 0.0000 | |
| 709 | S | A | -1.9995 | |
| 710 | G | A | -1.7339 | |
| 711 | L | A | -1.6230 | |
| 712 | E | A | -2.5727 | |
| 713 | A | A | -2.1050 | |
| 714 | K | A | -2.9319 | |
| 715 | P | A | -2.4106 | |
| 716 | D | A | -2.6443 | |
| 717 | R | A | -2.8826 | |
| 718 | S | A | -2.1839 | |
| 719 | R | A | -2.6054 | |
| 720 | S | A | -1.7335 | |
| 721 | A | A | -1.6469 | |
| 722 | S | A | -1.3467 | |
| 723 | P | A | -0.5111 |
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CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.5019 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_11 | -0.5019 | View | CSV | PDB |
| input | -0.5309 | View | CSV | PDB |
| model_8 | -0.5407 | View | CSV | PDB |
| model_7 | -0.5569 | View | CSV | PDB |
| model_1 | -0.5577 | View | CSV | PDB |
| model_5 | -0.5601 | View | CSV | PDB |
| model_9 | -0.5621 | View | CSV | PDB |
| model_2 | -0.5644 | View | CSV | PDB |
| CABS_average | -0.5741 | View | CSV | PDB |
| model_6 | -0.5909 | View | CSV | PDB |
| model_4 | -0.5925 | View | CSV | PDB |
| model_10 | -0.5965 | View | CSV | PDB |
| model_3 | -0.626 | View | CSV | PDB |
| model_0 | -0.6393 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine