| Chain sequence(s) |
A: PYAPQTQSGRTSIVHLFEWRWVDIALECERYLGPKGFGGVQVSPPNENVVVTNPSRPWWERYQPVSYKLCTRSGNENEFRDMVTRCNNVGVRIYVDAVINHMCGSGAAAGTGTTCGSYCNPGSREFPAVPYSAWDFNDGKCKTASGGIESYNDPYQVRDCQLVGLLDLALEKDYVRSMIADYLNKLIDIGVAGFRIDASKHMWPGDIKAVLDKLHNLNTNWFPAGSRPFIFQEVIDLGGEAIQSSEYFGNGRVTEFKYGAKLGTVVRKWSGEKMSYLKNWGEGWGFMPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKVAVGFMLAHPYGFTRVMSSYRWARNFVNGEDVNDWIGPPNNNGVIKEVTINADTTCGNDWVCEHRWREIRNMVWFRNVVDGQPFANWWDNGSNQVAFGRGNRGFIVFNNDDWQLSSTLQTGLPGGTYCDVISGDKVGNSCTGIKVYVSSDGTAQFSISNSAEDPFIAIHAESKL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:12)
[INFO] Main: Simulation completed successfully. (00:04:15)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | P | A | -0.2445 | |
| 2 | Y | A | -0.3687 | |
| 3 | A | A | -0.3238 | |
| 4 | P | A | -0.2644 | |
| 5 | Q | A | -0.5458 | |
| 6 | T | A | -0.6683 | |
| 7 | Q | A | -0.9789 | |
| 8 | S | A | -0.9158 | |
| 9 | G | A | -1.2979 | |
| 10 | R | A | -1.0830 | |
| 11 | T | A | -0.7297 | |
| 12 | S | A | 0.0000 | |
| 13 | I | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | H | A | 0.0000 | |
| 16 | L | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | E | A | 0.0000 | |
| 19 | W | A | 0.0000 | |
| 20 | R | A | -0.6446 | |
| 21 | W | A | 0.0000 | |
| 22 | V | A | 0.1631 | |
| 23 | D | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | L | A | -0.0662 | |
| 27 | E | A | 0.0000 | |
| 28 | C | A | 0.0000 | |
| 29 | E | A | -1.5576 | |
| 30 | R | A | -2.0758 | |
| 31 | Y | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | G | A | 0.0000 | |
| 34 | P | A | -0.9616 | |
| 35 | K | A | -1.0357 | |
| 36 | G | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | G | A | 0.0000 | |
| 39 | G | A | 0.0000 | |
| 40 | V | A | 0.0000 | |
| 41 | Q | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | 0.0000 | |
| 44 | P | A | 0.0000 | |
| 45 | P | A | 0.0000 | |
| 46 | N | A | 0.0000 | |
| 47 | E | A | 0.0000 | |
| 48 | N | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | V | A | 0.0836 | |
| 51 | V | A | -0.1552 | |
| 52 | T | A | -0.7228 | |
| 53 | N | A | -1.3477 | |
| 54 | P | A | -0.8250 | |
| 55 | S | A | -0.7647 | |
| 56 | R | A | -0.3105 | |
| 57 | P | A | 0.0000 | |
| 58 | W | A | 0.2135 | |
| 59 | W | A | 0.3614 | |
| 60 | E | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | Y | A | 0.1777 | |
| 63 | Q | A | 0.0344 | |
| 64 | P | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | Y | A | -0.5110 | |
| 68 | K | A | -1.0976 | |
| 69 | L | A | 0.0000 | |
| 70 | C | A | -1.0003 | |
| 71 | T | A | -0.4905 | |
| 72 | R | A | -0.0876 | |
| 73 | S | A | 0.0000 | |
| 74 | G | A | -1.0557 | |
| 75 | N | A | -2.2914 | |
| 76 | E | A | -2.7665 | |
| 77 | N | A | -3.1236 | |
| 78 | E | A | -2.6297 | |
| 79 | F | A | 0.0000 | |
| 80 | R | A | -3.2995 | |
| 81 | D | A | -2.5814 | |
| 82 | M | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | T | A | -1.4515 | |
| 85 | R | A | -1.2462 | |
| 86 | C | A | 0.0000 | |
| 87 | N | A | 0.0000 | |
| 88 | N | A | -1.3151 | |
| 89 | V | A | -0.6072 | |
| 90 | G | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | R | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | D | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | H | A | 0.0000 | |
| 102 | M | A | 0.0000 | |
| 103 | C | A | 0.0000 | |
| 104 | G | A | -0.1369 | |
| 105 | S | A | -0.4779 | |
| 106 | G | A | -0.6933 | |
| 107 | A | A | -0.4057 | |
| 108 | A | A | -0.3223 | |
| 109 | A | A | -0.4397 | |
| 110 | G | A | -0.0943 | |
| 111 | T | A | -0.0789 | |
| 112 | G | A | -0.2672 | |
| 113 | T | A | 0.0000 | |
| 114 | T | A | -0.1315 | |
| 115 | C | A | -0.1627 | |
| 116 | G | A | -0.2034 | |
| 117 | S | A | 0.0000 | |
| 118 | Y | A | 0.4136 | |
| 119 | C | A | 0.0000 | |
| 120 | N | A | -1.0273 | |
| 121 | P | A | 0.0000 | |
| 122 | G | A | -1.1372 | |
| 123 | S | A | -1.1213 | |
| 124 | R | A | -1.2555 | |
| 125 | E | A | -1.5063 | |
| 126 | F | A | 0.0000 | |
| 127 | P | A | -0.4513 | |
| 128 | A | A | -0.1637 | |
| 129 | V | A | -0.2311 | |
| 130 | P | A | -0.3664 | |
| 131 | Y | A | 0.0000 | |
| 132 | S | A | -0.3261 | |
| 133 | A | A | -0.1512 | |
| 134 | W | A | 0.7415 | |
| 135 | D | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | D | A | -1.6574 | |
| 139 | G | A | -1.5316 | |
| 140 | K | A | -1.7117 | |
| 141 | C | A | -1.4387 | |
| 142 | K | A | -2.0791 | |
| 143 | T | A | -1.3765 | |
| 144 | A | A | -0.6535 | |
| 145 | S | A | -0.7672 | |
| 146 | G | A | -1.1985 | |
| 147 | G | A | -0.5380 | |
| 148 | I | A | -0.2829 | |
| 149 | E | A | -1.7943 | |
| 150 | S | A | -0.8574 | |
| 151 | Y | A | -0.2323 | |
| 152 | N | A | -1.2435 | |
| 153 | D | A | -0.4673 | |
| 154 | P | A | 0.3710 | |
| 155 | Y | A | 0.8343 | |
| 156 | Q | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | R | A | 0.0000 | |
| 159 | D | A | 0.0000 | |
| 160 | C | A | 0.0000 | |
| 161 | Q | A | 0.0021 | |
| 162 | L | A | 0.7791 | |
| 163 | V | A | 1.5609 | |
| 164 | G | A | 0.4985 | |
| 165 | L | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | D | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | E | A | -1.9470 | |
| 172 | K | A | -1.7419 | |
| 173 | D | A | -2.1929 | |
| 174 | Y | A | -0.7639 | |
| 175 | V | A | 0.0000 | |
| 176 | R | A | -1.5358 | |
| 177 | S | A | -1.2164 | |
| 178 | M | A | -0.7074 | |
| 179 | I | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | D | A | -2.2443 | |
| 182 | Y | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | N | A | -1.9946 | |
| 185 | K | A | -2.0063 | |
| 186 | L | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | D | A | -2.4432 | |
| 189 | I | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | F | A | 0.0000 | |
| 195 | R | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | D | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | K | A | 0.0000 | |
| 201 | H | A | 0.0000 | |
| 202 | M | A | 0.0000 | |
| 203 | W | A | -0.1988 | |
| 204 | P | A | -0.8177 | |
| 205 | G | A | -1.3004 | |
| 206 | D | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | K | A | -2.3617 | |
| 209 | A | A | -2.1487 | |
| 210 | V | A | 0.0000 | |
| 211 | L | A | -1.8400 | |
| 212 | D | A | -2.7106 | |
| 213 | K | A | -2.4579 | |
| 214 | L | A | 0.0000 | |
| 215 | H | A | -2.3304 | |
| 216 | N | A | -2.0281 | |
| 217 | L | A | 0.0000 | |
| 218 | N | A | -1.6737 | |
| 219 | T | A | -1.2586 | |
| 220 | N | A | -1.6686 | |
| 221 | W | A | -0.8983 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | -0.7819 | |
| 224 | A | A | -0.7507 | |
| 225 | G | A | -1.0661 | |
| 226 | S | A | -1.0893 | |
| 227 | R | A | -1.4191 | |
| 228 | P | A | 0.0000 | |
| 229 | F | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | Q | A | 0.0000 | |
| 233 | E | A | 0.0685 | |
| 234 | V | A | 0.0000 | |
| 235 | I | A | 1.1415 | |
| 236 | D | A | 0.0000 | |
| 237 | L | A | 0.7178 | |
| 238 | G | A | -0.3819 | |
| 239 | G | A | -0.7380 | |
| 240 | E | A | -0.7886 | |
| 241 | A | A | -0.8162 | |
| 242 | I | A | 0.0000 | |
| 243 | Q | A | -0.9008 | |
| 244 | S | A | -0.4733 | |
| 245 | S | A | -0.9548 | |
| 246 | E | A | -1.2770 | |
| 247 | Y | A | 0.0000 | |
| 248 | F | A | -0.6611 | |
| 249 | G | A | -0.9228 | |
| 250 | N | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | R | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | T | A | 0.0000 | |
| 255 | E | A | 0.0000 | |
| 256 | F | A | 0.4525 | |
| 257 | K | A | -0.0209 | |
| 258 | Y | A | 0.0000 | |
| 259 | G | A | 0.0000 | |
| 260 | A | A | -0.2039 | |
| 261 | K | A | -0.7111 | |
| 262 | L | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | T | A | -0.6512 | |
| 265 | V | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | R | A | -0.7129 | |
| 268 | K | A | -1.3157 | |
| 269 | W | A | -0.5393 | |
| 270 | S | A | -0.6529 | |
| 271 | G | A | -1.0142 | |
| 272 | E | A | -1.0568 | |
| 273 | K | A | -0.9444 | |
| 274 | M | A | 0.0000 | |
| 275 | S | A | -0.7010 | |
| 276 | Y | A | -0.1002 | |
| 277 | L | A | 0.0000 | |
| 278 | K | A | -2.0075 | |
| 279 | N | A | -2.2712 | |
| 280 | W | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | E | A | -2.3141 | |
| 283 | G | A | -1.9778 | |
| 284 | W | A | -1.2413 | |
| 285 | G | A | -1.2070 | |
| 286 | F | A | 0.0000 | |
| 287 | M | A | 0.0000 | |
| 288 | P | A | -1.4213 | |
| 289 | S | A | -1.5571 | |
| 290 | D | A | -2.0140 | |
| 291 | R | A | -1.3537 | |
| 292 | A | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | F | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | D | A | 0.0000 | |
| 298 | N | A | 0.0000 | |
| 299 | H | A | 0.0000 | |
| 300 | D | A | -1.7358 | |
| 301 | N | A | -1.0944 | |
| 302 | Q | A | 0.0000 | |
| 303 | R | A | 0.0000 | |
| 304 | G | A | -1.5000 | |
| 305 | H | A | -1.3555 | |
| 306 | G | A | -1.3600 | |
| 307 | A | A | -0.9476 | |
| 308 | G | A | -0.8817 | |
| 309 | G | A | -0.7493 | |
| 310 | A | A | -0.5095 | |
| 311 | S | A | -0.3265 | |
| 312 | I | A | -0.2042 | |
| 313 | L | A | 0.0000 | |
| 314 | T | A | 0.0000 | |
| 315 | F | A | 0.0000 | |
| 316 | W | A | -0.5035 | |
| 317 | D | A | -0.9870 | |
| 318 | A | A | -1.0154 | |
| 319 | R | A | -1.5932 | |
| 320 | L | A | -0.5752 | |
| 321 | Y | A | 0.0000 | |
| 322 | K | A | -0.6711 | |
| 323 | V | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | M | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | H | A | 0.0000 | |
| 332 | P | A | -0.4620 | |
| 333 | Y | A | 0.0000 | |
| 334 | G | A | -0.7108 | |
| 335 | F | A | 0.0000 | |
| 336 | T | A | 0.0000 | |
| 337 | R | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | 0.0000 | |
| 342 | Y | A | 0.0000 | |
| 343 | R | A | -2.2335 | |
| 344 | W | A | 0.0000 | |
| 345 | A | A | -1.0555 | |
| 346 | R | A | -2.0504 | |
| 347 | N | A | -1.1580 | |
| 348 | F | A | 0.4193 | |
| 349 | V | A | 0.9524 | |
| 350 | N | A | -0.8820 | |
| 351 | G | A | -1.1236 | |
| 352 | E | A | -1.8364 | |
| 353 | D | A | -0.9886 | |
| 354 | V | A | 0.1869 | |
| 355 | N | A | -0.3039 | |
| 356 | D | A | -0.9665 | |
| 357 | W | A | 0.3888 | |
| 358 | I | A | 0.1988 | |
| 359 | G | A | 0.0000 | |
| 360 | P | A | 0.0000 | |
| 361 | P | A | -1.5203 | |
| 362 | N | A | -1.6176 | |
| 363 | N | A | -1.5681 | |
| 364 | N | A | -1.6024 | |
| 365 | G | A | -0.6039 | |
| 366 | V | A | 0.3785 | |
| 367 | I | A | 0.0000 | |
| 368 | K | A | -1.6655 | |
| 369 | E | A | -1.5311 | |
| 370 | V | A | -0.7134 | |
| 371 | T | A | -0.3300 | |
| 372 | I | A | 0.3633 | |
| 373 | N | A | -0.6351 | |
| 374 | A | A | -0.8727 | |
| 375 | D | A | -1.8022 | |
| 376 | T | A | -0.8573 | |
| 377 | T | A | -0.5209 | |
| 378 | C | A | -0.3845 | |
| 379 | G | A | -0.9322 | |
| 380 | N | A | -1.8941 | |
| 381 | D | A | -2.7851 | |
| 382 | W | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | C | A | 0.0000 | |
| 385 | E | A | 0.0000 | |
| 386 | H | A | 0.0000 | |
| 387 | R | A | 0.0000 | |
| 388 | W | A | -0.2957 | |
| 389 | R | A | -0.8811 | |
| 390 | E | A | 0.0000 | |
| 391 | I | A | 0.0000 | |
| 392 | R | A | -0.5486 | |
| 393 | N | A | -0.4650 | |
| 394 | M | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | W | A | -0.3473 | |
| 397 | F | A | 0.0000 | |
| 398 | R | A | 0.0000 | |
| 399 | N | A | -0.9530 | |
| 400 | V | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | D | A | -2.4762 | |
| 403 | G | A | -1.7217 | |
| 404 | Q | A | -1.6133 | |
| 405 | P | A | -0.8996 | |
| 406 | F | A | 0.0516 | |
| 407 | A | A | -0.2606 | |
| 408 | N | A | -0.6922 | |
| 409 | W | A | -0.4701 | |
| 410 | W | A | -0.6088 | |
| 411 | D | A | -0.9507 | |
| 412 | N | A | -0.9747 | |
| 413 | G | A | -0.8175 | |
| 414 | S | A | -0.6081 | |
| 415 | N | A | 0.0000 | |
| 416 | Q | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | F | A | 0.0000 | |
| 420 | G | A | 0.0000 | |
| 421 | R | A | 0.0000 | |
| 422 | G | A | -1.4778 | |
| 423 | N | A | -2.0380 | |
| 424 | R | A | -2.4872 | |
| 425 | G | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | F | A | 0.0000 | |
| 430 | N | A | 0.0000 | |
| 431 | N | A | 0.0000 | |
| 432 | D | A | 0.0000 | |
| 433 | D | A | -1.8670 | |
| 434 | W | A | -0.9622 | |
| 435 | Q | A | -1.5399 | |
| 436 | L | A | 0.0000 | |
| 437 | S | A | -0.8283 | |
| 438 | S | A | -0.8462 | |
| 439 | T | A | -0.8379 | |
| 440 | L | A | 0.0000 | |
| 441 | Q | A | -1.2282 | |
| 442 | T | A | 0.0000 | |
| 443 | G | A | -1.4091 | |
| 444 | L | A | 0.0000 | |
| 445 | P | A | -1.5342 | |
| 446 | G | A | -1.1909 | |
| 447 | G | A | -0.2711 | |
| 448 | T | A | 0.0459 | |
| 449 | Y | A | 0.0000 | |
| 450 | C | A | 0.0000 | |
| 451 | D | A | 0.0000 | |
| 452 | V | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | S | A | -0.4216 | |
| 455 | G | A | 0.0000 | |
| 456 | D | A | -0.5987 | |
| 457 | K | A | -1.0692 | |
| 458 | V | A | 0.7349 | |
| 459 | G | A | -0.3525 | |
| 460 | N | A | -1.0830 | |
| 461 | S | A | -0.7055 | |
| 462 | C | A | -0.3355 | |
| 463 | T | A | -0.0738 | |
| 464 | G | A | -0.0824 | |
| 465 | I | A | 0.6487 | |
| 466 | K | A | -0.2883 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.4331 | |
| 469 | V | A | 0.0000 | |
| 470 | S | A | -1.0518 | |
| 471 | S | A | -1.3334 | |
| 472 | D | A | -2.2210 | |
| 473 | G | A | 0.0000 | |
| 474 | T | A | -1.1430 | |
| 475 | A | A | 0.0000 | |
| 476 | Q | A | -1.1736 | |
| 477 | F | A | 0.0000 | |
| 478 | S | A | -0.9163 | |
| 479 | I | A | 0.0000 | |
| 480 | S | A | -1.3124 | |
| 481 | N | A | -1.6261 | |
| 482 | S | A | -1.3070 | |
| 483 | A | A | -1.4916 | |
| 484 | E | A | -2.2981 | |
| 485 | D | A | -1.5092 | |
| 486 | P | A | 0.0000 | |
| 487 | F | A | 0.0000 | |
| 488 | I | A | 0.0000 | |
| 489 | A | A | 0.0000 | |
| 490 | I | A | 0.0000 | |
| 491 | H | A | 0.0000 | |
| 492 | A | A | -1.7799 | |
| 493 | E | A | -2.2945 | |
| 494 | S | A | 0.0000 | |
| 495 | K | A | -1.6834 | |
| 496 | L | A | 0.0364 |
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