Project name: TBX3 Rnew [mutate: RW249A]
Status: done
Started: 2026-06-12 07:47:19
| 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 |
| Mutated residues | RW249A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.369862 kcal/mol |
| 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] FoldX: Building mutant model (00:06:06)
[INFO] CABS: Running CABS flex simulation (00:06:22)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:13:11)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:13:16)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:13:21)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:13:26)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:13:31)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:13:37)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:13:42)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:13:47)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:13:52)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:13:57)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:14:01)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:14:06)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:14:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:14:24)
[INFO] Main: Simulation completed successfully. (02:14:30)
|
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
- -5.3614
- Maximal score value
- 2.8493
- Average score
- -0.3512
- Total score value
- -253.9135
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 | 1.1107 | |
| 2 | S | A | 0.3689 | |
| 3 | L | A | 0.0768 | |
| 4 | S | A | -0.1594 | |
| 5 | M | A | -0.4073 | |
| 6 | R | A | -1.3877 | |
| 7 | D | A | 0.0000 | |
| 8 | P | A | 0.0000 | |
| 9 | V | A | 0.0000 | |
| 10 | I | A | 0.0000 | |
| 11 | P | A | 0.0666 | |
| 12 | G | A | -0.2851 | |
| 13 | T | A | 0.0000 | |
| 14 | S | A | 0.0000 | |
| 15 | M | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | Y | A | 0.2515 | |
| 18 | H | A | 0.0000 | |
| 19 | P | A | 0.3388 | |
| 20 | F | A | 0.2900 | |
| 21 | L | A | 0.8588 | |
| 22 | P | A | -0.1919 | |
| 23 | H | A | -1.4112 | |
| 24 | R | A | -2.7771 | |
| 25 | A | A | 0.0000 | |
| 26 | P | A | -1.1232 | |
| 27 | D | A | -0.9528 | |
| 28 | F | A | -0.2772 | |
| 29 | A | A | -0.1130 | |
| 30 | M | A | 0.0000 | |
| 31 | S | A | 0.5081 | |
| 32 | A | A | 1.0346 | |
| 33 | V | A | 1.8533 | |
| 34 | L | A | 1.8201 | |
| 35 | G | A | 0.3341 | |
| 36 | H | A | -0.8426 | |
| 37 | Q | A | -0.9345 | |
| 38 | P | A | -0.5149 | |
| 39 | P | A | -0.1141 | |
| 40 | F | A | 0.0000 | |
| 41 | F | A | 1.7363 | |
| 42 | P | A | 1.1355 | |
| 43 | A | A | 1.6920 | |
| 44 | L | A | 2.0738 | |
| 45 | T | A | 0.0000 | |
| 46 | L | A | 1.3948 | |
| 47 | P | A | 0.0000 | |
| 48 | P | A | -0.2741 | |
| 49 | N | A | -0.6133 | |
| 50 | G | A | -0.4792 | |
| 51 | A | A | -0.0253 | |
| 52 | A | A | 0.0734 | |
| 53 | A | A | 0.2727 | |
| 54 | L | A | 0.7090 | |
| 55 | S | A | 0.7130 | |
| 56 | L | A | 2.0337 | |
| 57 | P | A | 1.0479 | |
| 58 | G | A | 0.4758 | |
| 59 | A | A | 0.3597 | |
| 60 | L | A | 0.0000 | |
| 61 | A | A | -0.1136 | |
| 62 | K | A | 0.1805 | |
| 63 | P | A | 0.0816 | |
| 64 | I | A | 0.5037 | |
| 65 | M | A | 0.3466 | |
| 66 | D | A | -1.3593 | |
| 67 | Q | A | -0.8032 | |
| 68 | L | A | 1.2063 | |
| 69 | V | A | 1.2912 | |
| 70 | G | A | 0.2161 | |
| 71 | A | A | -0.0887 | |
| 72 | A | A | -0.8898 | |
| 73 | E | A | -1.7818 | |
| 74 | T | A | -0.6519 | |
| 75 | G | A | 0.4184 | |
| 76 | I | A | 2.2491 | |
| 77 | P | A | 1.4282 | |
| 78 | F | A | 2.8493 | |
| 79 | S | A | 1.8043 | |
| 80 | S | A | 1.2609 | |
| 81 | L | A | 1.5716 | |
| 82 | G | A | -0.0432 | |
| 83 | P | A | -0.3176 | |
| 84 | Q | A | 0.4568 | |
| 85 | A | A | 0.7619 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | 0.9762 | |
| 88 | R | A | 0.0000 | |
| 89 | P | A | -0.1490 | |
| 90 | L | A | -0.2017 | |
| 91 | K | A | -1.2698 | |
| 92 | T | A | 0.0193 | |
| 93 | M | A | 0.9325 | |
| 94 | E | A | 0.1599 | |
| 95 | P | A | -0.3760 | |
| 96 | E | A | -1.6923 | |
| 97 | E | A | -2.1596 | |
| 98 | E | A | 0.0000 | |
| 99 | V | A | -0.5464 | |
| 100 | E | A | 0.0000 | |
| 101 | D | A | -1.0668 | |
| 102 | D | A | 0.0000 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | E | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | K | A | 0.0000 | |
| 111 | E | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | W | A | 0.0000 | |
| 114 | D | A | -1.1889 | |
| 115 | Q | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | H | A | -1.1536 | |
| 118 | K | A | -1.4064 | |
| 119 | R | A | -0.7407 | |
| 120 | G | A | -0.6464 | |
| 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 | 0.0000 | |
| 127 | K | A | -1.9555 | |
| 128 | S | A | -1.0596 | |
| 129 | G | A | -1.0112 | |
| 130 | R | A | 0.0000 | |
| 131 | R | A | -0.8479 | |
| 132 | M | A | 0.0000 | |
| 133 | F | A | 0.0000 | |
| 134 | P | A | -0.3316 | |
| 135 | P | A | -0.2737 | |
| 136 | F | A | 0.0000 | |
| 137 | K | A | -0.3924 | |
| 138 | V | A | 0.0000 | |
| 139 | R | A | -0.8315 | |
| 140 | C | A | 0.0000 | |
| 141 | S | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | D | A | -1.8217 | |
| 145 | K | A | -2.2351 | |
| 146 | K | A | -2.1287 | |
| 147 | A | A | -1.2797 | |
| 148 | K | A | -0.9063 | |
| 149 | Y | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 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 | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | D | A | -1.6405 | |
| 160 | D | A | -1.3399 | |
| 161 | C | A | -0.8145 | |
| 162 | R | A | 0.0000 | |
| 163 | Y | A | 0.8798 | |
| 164 | K | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | H | A | 0.0000 | |
| 167 | N | A | 0.0000 | |
| 168 | S | A | -0.1613 | |
| 169 | R | A | 0.6257 | |
| 170 | W | A | 1.5271 | |
| 171 | M | A | 1.6140 | |
| 172 | V | A | 1.9244 | |
| 173 | A | A | 0.7568 | |
| 174 | G | A | -0.3615 | |
| 175 | K | A | -1.7010 | |
| 176 | A | A | 0.0000 | |
| 177 | D | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | E | A | 0.0000 | |
| 180 | M | A | 0.0000 | |
| 181 | P | A | 0.0000 | |
| 182 | K | A | 0.0000 | |
| 183 | R | A | 0.0000 | |
| 184 | M | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | H | A | 0.0000 | |
| 188 | P | A | 0.0000 | |
| 189 | D | A | -0.1356 | |
| 190 | S | A | -0.3092 | |
| 191 | P | A | -0.4954 | |
| 192 | A | A | 0.0000 | |
| 193 | T | A | -0.1708 | |
| 194 | G | A | 0.0000 | |
| 195 | E | A | -1.3423 | |
| 196 | Q | A | -0.2992 | |
| 197 | W | A | 0.0000 | |
| 198 | M | A | 0.0000 | |
| 199 | S | A | -1.6514 | |
| 200 | K | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | H | A | 0.0000 | |
| 206 | K | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | K | A | -0.7832 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | -0.9581 | |
| 211 | N | A | -0.9460 | |
| 212 | N | A | -1.1396 | |
| 213 | I | A | -0.7861 | |
| 214 | S | A | -1.5627 | |
| 215 | D | A | -2.7530 | |
| 216 | K | A | -2.6954 | |
| 217 | H | A | -1.7718 | |
| 218 | G | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | T | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | N | A | 0.0000 | |
| 224 | S | A | 0.0000 | |
| 225 | M | A | 0.0000 | |
| 226 | H | A | 0.0000 | |
| 227 | K | A | -0.8288 | |
| 228 | Y | A | 0.0000 | |
| 229 | Q | A | 0.0000 | |
| 230 | P | A | 0.0000 | |
| 231 | R | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | H | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | R | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | N | A | -0.8451 | |
| 239 | D | A | -0.4260 | |
| 240 | I | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | K | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | P | A | 0.0000 | |
| 245 | Y | A | 0.8531 | |
| 246 | S | A | 0.0622 | |
| 247 | T | A | 0.2459 | |
| 248 | F | A | 0.5702 | |
| 249 | W | A | 0.2715 | mutated: RW249A |
| 250 | T | A | 0.0000 | |
| 251 | Y | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | E | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | E | A | -0.3988 | |
| 258 | F | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | T | A | -0.3097 | |
| 263 | A | A | -0.4089 | |
| 264 | Y | A | 0.0000 | |
| 265 | Q | A | 0.0000 | |
| 266 | N | A | 0.0000 | |
| 267 | D | A | 0.0000 | |
| 268 | K | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | T | A | 0.0000 | |
| 271 | Q | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | K | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | D | A | 0.0000 | |
| 276 | N | A | 0.0000 | |
| 277 | N | A | 0.0000 | |
| 278 | P | A | -0.0884 | |
| 279 | F | A | 0.3772 | |
| 280 | A | A | 0.0000 | |
| 281 | K | A | -0.8521 | |
| 282 | G | A | -1.2271 | |
| 283 | F | A | 0.0000 | |
| 284 | R | A | 0.0000 | |
| 285 | D | A | -2.6490 | |
| 286 | T | A | -2.1314 | |
| 287 | G | A | 0.0000 | |
| 288 | N | A | -2.9879 | |
| 289 | G | A | -2.6402 | |
| 290 | R | A | -3.0524 | |
| 291 | R | A | -3.6757 | |
| 292 | E | A | -3.6299 | |
| 293 | K | A | -3.7853 | |
| 294 | R | A | -3.6355 | |
| 295 | K | A | -3.3434 | |
| 296 | Q | A | -2.5094 | |
| 297 | L | A | -0.9443 | |
| 298 | T | A | -0.8724 | |
| 299 | L | A | -0.5902 | |
| 300 | Q | A | -1.1539 | |
| 301 | S | A | -0.2208 | |
| 302 | M | A | 0.0209 | |
| 303 | R | A | -1.7406 | |
| 304 | V | A | -0.8578 | |
| 305 | F | A | -1.0882 | |
| 306 | D | A | -2.8154 | |
| 307 | E | A | -3.6283 | |
| 308 | R | A | -3.7737 | |
| 309 | H | A | -4.3477 | |
| 310 | K | A | -5.0066 | |
| 311 | K | A | -5.3614 | |
| 312 | E | A | -4.9651 | |
| 313 | N | A | -3.8759 | |
| 314 | G | A | -2.8165 | |
| 315 | T | A | -2.3028 | |
| 316 | S | A | -2.7015 | |
| 317 | D | A | -4.1440 | |
| 318 | E | A | -4.1668 | |
| 319 | S | A | 0.0000 | |
| 320 | S | A | -2.6338 | |
| 321 | S | A | -2.0251 | |
| 322 | E | A | -1.8411 | |
| 323 | Q | A | -1.5277 | |
| 324 | A | A | -0.3620 | |
| 325 | A | A | -0.0918 | |
| 326 | F | A | 1.0627 | |
| 327 | N | A | 0.7206 | |
| 328 | C | A | 1.1982 | |
| 329 | F | A | 0.8293 | |
| 330 | A | A | -0.1974 | |
| 331 | Q | A | -1.2881 | |
| 332 | A | A | -0.7273 | |
| 333 | S | A | -0.5226 | |
| 334 | S | A | -0.7730 | |
| 335 | P | A | -1.2206 | |
| 336 | A | A | -0.5863 | |
| 337 | A | A | -0.2921 | |
| 338 | S | A | 0.0166 | |
| 339 | T | A | 0.4983 | |
| 340 | V | A | 1.1031 | |
| 341 | G | A | 0.0892 | |
| 342 | T | A | -0.4654 | |
| 343 | S | A | -0.4841 | |
| 344 | N | A | -0.6043 | |
| 345 | L | A | 0.0000 | |
| 346 | K | A | -0.6833 | |
| 347 | D | A | -0.7090 | |
| 348 | L | A | 0.0000 | |
| 349 | C | A | -0.4438 | |
| 350 | P | A | -0.5787 | |
| 351 | S | A | -1.2069 | |
| 352 | E | A | -1.6997 | |
| 353 | G | A | -1.9145 | |
| 354 | E | A | -2.9713 | |
| 355 | S | A | -2.3100 | |
| 356 | D | A | -2.6642 | |
| 357 | A | A | -1.6234 | |
| 358 | E | A | -1.0076 | |
| 359 | A | A | -0.1000 | |
| 360 | E | A | 0.0000 | |
| 361 | S | A | -1.9153 | |
| 362 | K | A | -3.2304 | |
| 363 | E | A | -3.3640 | |
| 364 | E | A | -3.2959 | |
| 365 | H | A | -2.4412 | |
| 366 | G | A | -2.0324 | |
| 367 | P | A | -1.1929 | |
| 368 | E | A | -1.3051 | |
| 369 | A | A | -0.5327 | |
| 370 | C | A | 0.0973 | |
| 371 | D | A | 0.0000 | |
| 372 | A | A | -0.2507 | |
| 373 | A | A | 0.0000 | |
| 374 | K | A | -0.8206 | |
| 375 | I | A | 0.3905 | |
| 376 | S | A | -0.2448 | |
| 377 | T | A | -0.3827 | |
| 378 | T | A | -0.4487 | |
| 379 | T | A | -0.7541 | |
| 380 | S | A | -1.3892 | |
| 381 | E | A | -1.8172 | |
| 382 | E | A | -1.8380 | |
| 383 | P | A | -0.8940 | |
| 384 | C | A | -0.6674 | |
| 385 | R | A | -1.8596 | |
| 386 | D | A | -2.5253 | |
| 387 | K | A | -2.1317 | |
| 388 | G | A | -1.7873 | |
| 389 | S | A | 0.0000 | |
| 390 | P | A | 0.0000 | |
| 391 | A | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | K | A | -0.3626 | |
| 394 | A | A | 0.0000 | |
| 395 | H | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | F | A | 0.0000 | |
| 398 | A | A | -0.4151 | |
| 399 | A | A | -0.2620 | |
| 400 | E | A | -1.2645 | |
| 401 | R | A | -2.0131 | |
| 402 | P | A | 0.0000 | |
| 403 | R | A | 0.0000 | |
| 404 | D | A | -1.8479 | |
| 405 | S | A | -1.5412 | |
| 406 | G | A | -1.7743 | |
| 407 | R | A | -2.1616 | |
| 408 | L | A | -0.4726 | |
| 409 | D | A | -1.3918 | |
| 410 | K | A | -1.5474 | |
| 411 | A | A | -0.6612 | |
| 412 | S | A | -0.5887 | |
| 413 | P | A | -0.9776 | |
| 414 | D | A | -1.3373 | |
| 415 | S | A | -0.8976 | |
| 416 | R | A | -1.5170 | |
| 417 | H | A | 0.0000 | |
| 418 | S | A | -1.0835 | |
| 419 | P | A | -1.2867 | |
| 420 | A | A | -0.6693 | |
| 421 | T | A | 0.0000 | |
| 422 | I | A | 0.0000 | |
| 423 | S | A | -0.7412 | |
| 424 | S | A | -0.6637 | |
| 425 | S | A | -0.6607 | |
| 426 | T | A | -0.7802 | |
| 427 | R | A | -0.8324 | |
| 428 | G | A | -0.4201 | |
| 429 | L | A | -0.3264 | |
| 430 | G | A | -0.6817 | |
| 431 | A | A | -0.6301 | |
| 432 | E | A | -1.8445 | |
| 433 | E | A | -2.5568 | |
| 434 | R | A | -3.0799 | |
| 435 | R | A | -2.5794 | |
| 436 | S | A | 0.0000 | |
| 437 | P | A | 0.0000 | |
| 438 | V | A | -0.3908 | |
| 439 | R | A | -1.8695 | |
| 440 | E | A | -2.1736 | |
| 441 | G | A | -1.4641 | |
| 442 | T | A | 0.0000 | |
| 443 | A | A | -0.1779 | |
| 444 | P | A | -0.1548 | |
| 445 | A | A | -0.4776 | |
| 446 | K | A | -1.0318 | |
| 447 | V | A | 0.1479 | |
| 448 | E | A | -1.6969 | |
| 449 | E | A | -2.0060 | |
| 450 | A | A | -0.6970 | |
| 451 | R | A | -0.3795 | |
| 452 | A | A | 0.4892 | |
| 453 | L | A | 0.4365 | |
| 454 | P | A | 0.0000 | |
| 455 | G | A | -1.2417 | |
| 456 | K | A | 0.0000 | |
| 457 | E | A | -0.8192 | |
| 458 | A | A | -0.1505 | |
| 459 | F | A | 0.8295 | |
| 460 | A | A | 0.7798 | |
| 461 | P | A | 0.6160 | |
| 462 | L | A | 1.3303 | |
| 463 | T | A | 0.8970 | |
| 464 | V | A | 0.9425 | |
| 465 | Q | A | -0.8411 | |
| 466 | T | A | -1.2817 | |
| 467 | D | A | -2.0955 | |
| 468 | A | A | -0.9013 | |
| 469 | A | A | -0.3049 | |
| 470 | A | A | 0.1799 | |
| 471 | A | A | 0.4906 | |
| 472 | H | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | A | A | -0.1154 | |
| 475 | Q | A | -0.3790 | |
| 476 | G | A | -0.3564 | |
| 477 | P | A | 0.0000 | |
| 478 | L | A | 0.0236 | |
| 479 | P | A | -0.4219 | |
| 480 | G | A | -0.3614 | |
| 481 | L | A | -0.0454 | |
| 482 | G | A | -0.2488 | |
| 483 | F | A | 0.3059 | |
| 484 | A | A | 0.4037 | |
| 485 | P | A | -0.0958 | |
| 486 | G | A | -0.0419 | |
| 487 | L | A | 0.7747 | |
| 488 | A | A | 0.0000 | |
| 489 | G | A | 0.0000 | |
| 490 | Q | A | -0.5442 | |
| 491 | Q | A | -0.9416 | |
| 492 | F | A | -0.3932 | |
| 493 | F | A | -0.4901 | |
| 494 | N | A | -1.1459 | |
| 495 | G | A | -0.9147 | |
| 496 | H | A | 0.0000 | |
| 497 | P | A | -0.1810 | |
| 498 | L | A | 0.0000 | |
| 499 | F | A | 1.4702 | |
| 500 | L | A | 2.0034 | |
| 501 | H | A | 0.4773 | |
| 502 | P | A | -0.2407 | |
| 503 | S | A | -0.7804 | |
| 504 | Q | A | -0.9309 | |
| 505 | F | A | 0.8554 | |
| 506 | A | A | 0.3629 | |
| 507 | M | A | 0.2792 | |
| 508 | G | A | -0.0198 | |
| 509 | G | A | -0.7182 | |
| 510 | A | A | -0.3540 | |
| 511 | F | A | 0.2363 | |
| 512 | S | A | 0.0399 | |
| 513 | S | A | 0.5620 | |
| 514 | M | A | 0.9943 | |
| 515 | A | A | 0.4638 | |
| 516 | A | A | 0.1366 | |
| 517 | A | A | -0.0361 | |
| 518 | G | A | -0.1378 | |
| 519 | M | A | 0.7045 | |
| 520 | G | A | 0.0960 | |
| 521 | P | A | 0.3615 | |
| 522 | L | A | 1.4085 | |
| 523 | L | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | T | A | 0.0000 | |
| 526 | V | A | 0.0000 | |
| 527 | S | A | -0.2575 | |
| 528 | G | A | -0.6603 | |
| 529 | A | A | 0.0000 | |
| 530 | S | A | -1.4161 | |
| 531 | T | A | 0.0000 | |
| 532 | G | A | -1.1272 | |
| 533 | V | A | 0.0000 | |
| 534 | S | A | 0.2322 | |
| 535 | G | A | 0.2661 | |
| 536 | L | A | -0.6223 | |
| 537 | D | A | -1.5046 | |
| 538 | S | A | 0.0000 | |
| 539 | T | A | -0.9986 | |
| 540 | A | A | -0.2499 | |
| 541 | M | A | 0.1533 | |
| 542 | A | A | -0.1614 | |
| 543 | S | A | -0.0057 | |
| 544 | A | A | 0.2524 | |
| 545 | A | A | 0.5607 | |
| 546 | A | A | 0.2623 | |
| 547 | A | A | 0.1444 | |
| 548 | Q | A | -0.0811 | |
| 549 | G | A | -0.1900 | |
| 550 | L | A | 0.2589 | |
| 551 | S | A | -0.3171 | |
| 552 | G | A | -0.5984 | |
| 553 | A | A | -0.4636 | |
| 554 | S | A | -0.1715 | |
| 555 | A | A | 0.0747 | |
| 556 | A | A | 0.0271 | |
| 557 | T | A | -0.1523 | |
| 558 | L | A | 0.3179 | |
| 559 | P | A | 0.0000 | |
| 560 | F | A | 1.0436 | |
| 561 | H | A | 0.7206 | |
| 562 | L | A | 1.1354 | |
| 563 | Q | A | 0.0793 | |
| 564 | Q | A | -0.6657 | |
| 565 | H | A | 0.2672 | |
| 566 | V | A | 1.7448 | |
| 567 | L | A | 1.7751 | |
| 568 | A | A | 0.6726 | |
| 569 | S | A | -0.2841 | |
| 570 | Q | A | -1.1760 | |
| 571 | G | A | -0.5352 | |
| 572 | L | A | 0.0000 | |
| 573 | A | A | 0.8822 | |
| 574 | M | A | 0.8334 | |
| 575 | S | A | 0.0000 | |
| 576 | P | A | -0.1368 | |
| 577 | F | A | 0.0266 | |
| 578 | G | A | 0.1076 | |
| 579 | S | A | -0.0761 | |
| 580 | L | A | 0.0000 | |
| 581 | F | A | 0.1477 | |
| 582 | P | A | 0.0000 | |
| 583 | Y | A | 0.0000 | |
| 584 | P | A | 0.0000 | |
| 585 | Y | A | 0.0000 | |
| 586 | T | A | -0.2281 | |
| 587 | Y | A | 0.4216 | |
| 588 | M | A | 0.0000 | |
| 589 | A | A | -0.1351 | |
| 590 | A | A | -0.0116 | |
| 591 | A | A | 0.4114 | |
| 592 | A | A | 0.9750 | |
| 593 | A | A | 0.5589 | |
| 594 | A | A | 0.1746 | |
| 595 | S | A | -0.1912 | |
| 596 | S | A | -0.2313 | |
| 597 | A | A | 0.1683 | |
| 598 | A | A | 0.4527 | |
| 599 | A | A | 0.4973 | |
| 600 | S | A | 0.2132 | |
| 601 | S | A | 0.0000 | |
| 602 | S | A | 0.0000 | |
| 603 | V | A | 0.0000 | |
| 604 | H | A | 0.0000 | |
| 605 | R | A | -2.1674 | |
| 606 | H | A | -1.1210 | |
| 607 | P | A | -0.5116 | |
| 608 | F | A | 1.0671 | |
| 609 | L | A | 2.1209 | |
| 610 | N | A | 0.0000 | |
| 611 | L | A | 1.5236 | |
| 612 | N | A | -0.2938 | |
| 613 | T | A | -0.1723 | |
| 614 | M | A | 0.6087 | |
| 615 | R | A | -1.5266 | |
| 616 | P | A | -1.4232 | |
| 617 | R | A | -2.0712 | |
| 618 | L | A | -1.7565 | |
| 619 | R | A | -2.0450 | |
| 620 | Y | A | -0.6464 | |
| 621 | S | A | 0.0291 | |
| 622 | P | A | 0.3545 | |
| 623 | Y | A | 1.1333 | |
| 624 | S | A | 0.3625 | |
| 625 | I | A | 0.2294 | |
| 626 | P | A | -0.0679 | |
| 627 | V | A | 0.1172 | |
| 628 | P | A | -0.5223 | |
| 629 | V | A | 0.0000 | |
| 630 | P | A | -0.1167 | |
| 631 | D | A | -0.2597 | |
| 632 | G | A | -0.1001 | |
| 633 | S | A | -0.2173 | |
| 634 | S | A | 0.2930 | |
| 635 | L | A | 1.3648 | |
| 636 | L | A | 1.9507 | |
| 637 | T | A | 1.1449 | |
| 638 | T | A | 0.5175 | |
| 639 | A | A | 0.3632 | |
| 640 | L | A | 0.6706 | |
| 641 | P | A | 0.2070 | |
| 642 | S | A | -0.1471 | |
| 643 | M | A | 0.0000 | |
| 644 | A | A | 0.0551 | |
| 645 | A | A | 0.0317 | |
| 646 | A | A | -0.9380 | |
| 647 | A | A | 0.0000 | |
| 648 | G | A | -1.3489 | |
| 649 | P | A | -0.9506 | |
| 650 | L | A | -1.0726 | |
| 651 | D | A | -2.4671 | |
| 652 | G | A | -2.1850 | |
| 653 | K | A | -2.3742 | |
| 654 | V | A | 0.0000 | |
| 655 | A | A | -0.0456 | |
| 656 | A | A | 0.2800 | |
| 657 | L | A | 0.8652 | |
| 658 | A | A | 0.4120 | |
| 659 | A | A | 0.3375 | |
| 660 | S | A | 0.1960 | |
| 661 | P | A | 0.1858 | |
| 662 | A | A | 0.0567 | |
| 663 | S | A | 0.0363 | |
| 664 | V | A | -0.1608 | |
| 665 | A | A | 0.1026 | |
| 666 | V | A | -0.2025 | |
| 667 | D | A | -1.7619 | |
| 668 | S | A | -1.1974 | |
| 669 | G | A | -0.9900 | |
| 670 | S | A | -0.7414 | |
| 671 | E | A | 0.0000 | |
| 672 | L | A | -0.3976 | |
| 673 | N | A | -1.2232 | |
| 674 | S | A | -1.1861 | |
| 675 | R | A | -1.9537 | |
| 676 | S | A | -0.9923 | |
| 677 | S | A | -0.2088 | |
| 678 | T | A | 0.2915 | |
| 679 | L | A | 1.2119 | |
| 680 | S | A | 0.2277 | |
| 681 | S | A | 0.1370 | |
| 682 | S | A | 0.1439 | |
| 683 | S | A | 0.3911 | |
| 684 | M | A | 1.3484 | |
| 685 | S | A | 1.0079 | |
| 686 | L | A | 1.6725 | |
| 687 | S | A | 0.6308 | |
| 688 | P | A | 0.0000 | |
| 689 | K | A | -0.5565 | |
| 690 | L | A | -0.6219 | |
| 691 | C | A | 0.0000 | |
| 692 | A | A | -0.4525 | |
| 693 | E | A | -1.0773 | |
| 694 | K | A | -1.1401 | |
| 695 | E | A | -0.7419 | |
| 696 | A | A | -0.6470 | |
| 697 | A | A | -0.3187 | |
| 698 | T | A | -0.2006 | |
| 699 | S | A | -0.4853 | |
| 700 | E | A | -0.4001 | |
| 701 | L | A | 0.4811 | |
| 702 | Q | A | -0.8299 | |
| 703 | S | A | 0.0000 | |
| 704 | I | A | 0.0000 | |
| 705 | Q | A | 0.0000 | |
| 706 | R | A | -1.6945 | |
| 707 | L | A | 0.0000 | |
| 708 | V | A | 0.0000 | |
| 709 | S | A | -0.5064 | |
| 710 | G | A | -0.4032 | |
| 711 | L | A | 0.0000 | |
| 712 | E | A | -0.4232 | |
| 713 | A | A | 0.0000 | |
| 714 | K | A | 0.0000 | |
| 715 | P | A | 0.0000 | |
| 716 | D | A | 0.0000 | |
| 717 | R | A | 0.0000 | |
| 718 | S | A | 0.0000 | |
| 719 | R | A | -1.0595 | |
| 720 | S | A | 0.0000 | |
| 721 | A | A | 0.0000 | |
| 722 | S | A | -0.5206 | |
| 723 | P | A | 0.0000 |
3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.
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, -0.3512 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_4 | -0.3512 | View | CSV | PDB |
| model_9 | -0.3849 | View | CSV | PDB |
| model_3 | -0.4019 | View | CSV | PDB |
| model_5 | -0.4127 | View | CSV | PDB |
| model_7 | -0.4191 | View | CSV | PDB |
| CABS_average | -0.4286 | View | CSV | PDB |
| model_2 | -0.4353 | View | CSV | PDB |
| model_10 | -0.4363 | View | CSV | PDB |
| model_6 | -0.4385 | View | CSV | PDB |
| model_1 | -0.4391 | View | CSV | PDB |
| model_8 | -0.4448 | View | CSV | PDB |
| model_0 | -0.4661 | View | CSV | PDB |
| model_11 | -0.5134 | View | CSV | PDB |
| input | -0.5325 | 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