| Chain sequence(s) |
A: MEADESGISLPSGPDGRKRRVSYFYEPTIGDYYYGQGHPMKPHRIRMAHSLIIHYHLHRRLEISRPSLADASDIGRFHSPEYVDFLASVSPESMGDPSAARNLRRFNVGEDCPVFDGLFDFCRASAGGSIGAAVKLNRQDADIAINWGGGLHHAKKSEASGFCYVNDIVLGILELLKMFKRVLYIDIDVHHGDGVEEAFYTTDRVMTVSFHKFGDFFPGTGHIRDVGAEKGKYYALNVPLNDGMDDESFRSLFRPLIQKVMEVYQPEAVVLQCGADSLSGDRLGCFNLSVKGHADCLRFLRSYNVPLMVLGGGGYTIRNVARCWCYETAVAVGVEPDNKLPYNEYFEYFGPDYTLHVDPSPMENLNTPKDMERIRNTLLEQLSGLIHAPSVQFQHTPPVNRVLDEPEDDMETRPKPRIWSGTATYESDSDDDDKPLHGYSCRGGATTDRDSTGEDEMDDDNPEPDVNPPSS
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 (00:10:40)
[INFO] Main: Simulation completed successfully. (00:10:43)
|
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 | M | A | -0.0354 | |
| 2 | E | A | -1.7030 | |
| 3 | A | A | -2.0014 | |
| 4 | D | A | -3.3253 | |
| 5 | E | A | -3.3100 | |
| 6 | S | A | -2.8326 | |
| 7 | G | A | -2.3383 | |
| 8 | I | A | 0.3276 | |
| 9 | S | A | 0.2092 | |
| 10 | L | A | 0.8375 | |
| 11 | P | A | 0.0058 | |
| 12 | S | A | -0.6668 | |
| 13 | G | A | -1.0670 | |
| 14 | P | A | -1.7990 | |
| 15 | D | A | -2.2856 | |
| 16 | G | A | -1.8092 | |
| 17 | R | A | -3.3332 | |
| 18 | K | A | -3.9694 | |
| 19 | R | A | -2.8819 | |
| 20 | R | A | -3.7688 | |
| 21 | V | A | 0.0000 | |
| 22 | S | A | 0.0000 | |
| 23 | Y | A | 0.0000 | |
| 24 | F | A | 0.0000 | |
| 25 | Y | A | 0.0000 | |
| 26 | E | A | 0.0000 | |
| 27 | P | A | -0.6569 | |
| 28 | T | A | -0.4772 | |
| 29 | I | A | 0.0000 | |
| 30 | G | A | 0.0000 | |
| 31 | D | A | -1.2270 | |
| 32 | Y | A | -0.3229 | |
| 33 | Y | A | 0.0000 | |
| 34 | Y | A | -0.5499 | |
| 35 | G | A | 0.0000 | |
| 36 | Q | A | -1.6814 | |
| 37 | G | A | -1.2160 | |
| 38 | H | A | -0.8540 | |
| 39 | P | A | -0.5393 | |
| 40 | M | A | 0.2311 | |
| 41 | K | A | -0.0219 | |
| 42 | P | A | 0.0000 | |
| 43 | H | A | 0.0000 | |
| 44 | R | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | R | A | -0.3527 | |
| 47 | M | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | H | A | -0.3303 | |
| 50 | S | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | I | A | -0.6106 | |
| 54 | H | A | -0.3758 | |
| 55 | Y | A | -0.8637 | |
| 56 | H | A | -1.7433 | |
| 57 | L | A | 0.0000 | |
| 58 | H | A | -2.4051 | |
| 59 | R | A | -3.1888 | |
| 60 | R | A | -3.2471 | |
| 61 | L | A | 0.0000 | |
| 62 | E | A | -2.8022 | |
| 63 | I | A | -1.7574 | |
| 64 | S | A | -1.4699 | |
| 65 | R | A | -1.9056 | |
| 66 | P | A | 0.0000 | |
| 67 | S | A | -0.6978 | |
| 68 | L | A | -0.5996 | |
| 69 | A | A | 0.0000 | |
| 70 | D | A | -1.6596 | |
| 71 | A | A | -1.4014 | |
| 72 | S | A | -1.1738 | |
| 73 | D | A | -1.2963 | |
| 74 | I | A | 0.0000 | |
| 75 | G | A | -1.7029 | |
| 76 | R | A | -1.3619 | |
| 77 | F | A | -0.9780 | |
| 78 | H | A | 0.0000 | |
| 79 | S | A | -1.7849 | |
| 80 | P | A | -2.0024 | |
| 81 | E | A | -2.6943 | |
| 82 | Y | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | D | A | -2.4510 | |
| 85 | F | A | -1.2668 | |
| 86 | L | A | 0.0000 | |
| 87 | A | A | -0.5562 | |
| 88 | S | A | -0.7117 | |
| 89 | V | A | 0.0000 | |
| 90 | S | A | -0.4914 | |
| 91 | P | A | -0.7218 | |
| 92 | E | A | -2.0628 | |
| 93 | S | A | -1.3694 | |
| 94 | M | A | -1.2007 | |
| 95 | G | A | -1.8085 | |
| 96 | D | A | -2.6668 | |
| 97 | P | A | -1.8312 | |
| 98 | S | A | -1.6506 | |
| 99 | A | A | -2.0180 | |
| 100 | A | A | -2.4617 | |
| 101 | R | A | -3.5405 | |
| 102 | N | A | -2.7830 | |
| 103 | L | A | -2.5775 | |
| 104 | R | A | -3.8039 | |
| 105 | R | A | -3.6561 | |
| 106 | F | A | 0.0000 | |
| 107 | N | A | -2.5961 | |
| 108 | V | A | -1.5765 | |
| 109 | G | A | -2.0093 | |
| 110 | E | A | -2.6316 | |
| 111 | D | A | -2.4589 | |
| 112 | C | A | 0.0000 | |
| 113 | P | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | F | A | 0.0907 | |
| 116 | D | A | -0.5200 | |
| 117 | G | A | -0.0591 | |
| 118 | L | A | 0.0000 | |
| 119 | F | A | -0.1849 | |
| 120 | D | A | -0.6918 | |
| 121 | F | A | 0.0000 | |
| 122 | C | A | 0.0000 | |
| 123 | R | A | -0.9022 | |
| 124 | A | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | G | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | I | A | 0.2732 | |
| 131 | G | A | -0.1919 | |
| 132 | A | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | V | A | -0.7003 | |
| 135 | K | A | -1.7387 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | -1.7691 | |
| 138 | R | A | -2.7550 | |
| 139 | Q | A | -3.0785 | |
| 140 | D | A | -2.6026 | |
| 141 | A | A | 0.0000 | |
| 142 | D | A | -2.3357 | |
| 143 | I | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | N | A | 0.0000 | |
| 147 | W | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | H | A | 0.0000 | |
| 153 | H | A | -0.9654 | |
| 154 | A | A | 0.0000 | |
| 155 | K | A | -2.4676 | |
| 156 | K | A | -2.5043 | |
| 157 | S | A | -2.1500 | |
| 158 | E | A | -2.2101 | |
| 159 | A | A | 0.0000 | |
| 160 | S | A | -0.7878 | |
| 161 | G | A | -0.6853 | |
| 162 | F | A | 0.0000 | |
| 163 | C | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | D | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | L | A | 0.1284 | |
| 174 | E | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | L | A | -0.5772 | |
| 177 | K | A | -1.2029 | |
| 178 | M | A | -0.6982 | |
| 179 | F | A | 0.0000 | |
| 180 | K | A | -0.5773 | |
| 181 | R | A | -0.4819 | |
| 182 | V | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | Y | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | D | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | H | A | -0.1632 | |
| 191 | H | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | D | A | -0.8478 | |
| 194 | G | A | -1.6053 | |
| 195 | V | A | 0.0000 | |
| 196 | E | A | 0.0000 | |
| 197 | E | A | -1.8759 | |
| 198 | A | A | -1.0875 | |
| 199 | F | A | 0.0000 | |
| 200 | Y | A | -1.1737 | |
| 201 | T | A | -1.5477 | |
| 202 | T | A | -1.4816 | |
| 203 | D | A | -1.1913 | |
| 204 | R | A | -0.4884 | |
| 205 | V | A | 0.0000 | |
| 206 | M | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | S | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | H | A | 0.0000 | |
| 212 | K | A | -0.8497 | |
| 213 | F | A | 0.2722 | |
| 214 | G | A | -0.1322 | |
| 215 | D | A | -0.5788 | |
| 216 | F | A | 1.4411 | |
| 217 | F | A | 1.8973 | |
| 218 | P | A | 0.3582 | |
| 219 | G | A | -0.2599 | |
| 220 | T | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | H | A | -0.5697 | |
| 223 | I | A | 0.1837 | |
| 224 | R | A | -1.4260 | |
| 225 | D | A | -0.9109 | |
| 226 | V | A | -0.2935 | |
| 227 | G | A | 0.0000 | |
| 228 | A | A | -1.6091 | |
| 229 | E | A | -2.9225 | |
| 230 | K | A | -2.8164 | |
| 231 | G | A | 0.0000 | |
| 232 | K | A | -1.8507 | |
| 233 | Y | A | -0.4162 | |
| 234 | Y | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | N | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | P | A | 0.1809 | |
| 240 | L | A | 0.0000 | |
| 241 | N | A | -0.5613 | |
| 242 | D | A | -0.8345 | |
| 243 | G | A | 0.0000 | |
| 244 | M | A | 0.0000 | |
| 245 | D | A | -1.6762 | |
| 246 | D | A | -1.9712 | |
| 247 | E | A | -2.5701 | |
| 248 | S | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | R | A | -2.4821 | |
| 251 | S | A | -1.9388 | |
| 252 | L | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | R | A | -2.5073 | |
| 255 | P | A | -1.6690 | |
| 256 | L | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | Q | A | -1.7941 | |
| 259 | K | A | -1.8035 | |
| 260 | V | A | 0.0000 | |
| 261 | M | A | 0.0000 | |
| 262 | E | A | -2.3047 | |
| 263 | V | A | -0.6744 | |
| 264 | Y | A | 0.0000 | |
| 265 | Q | A | -1.5678 | |
| 266 | P | A | 0.0000 | |
| 267 | E | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | Q | A | 0.0000 | |
| 273 | C | A | 0.0000 | |
| 274 | G | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | D | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | G | A | -0.8575 | |
| 281 | D | A | 0.0000 | |
| 282 | R | A | -1.4427 | |
| 283 | L | A | -0.1756 | |
| 284 | G | A | -0.4704 | |
| 285 | C | A | -0.6797 | |
| 286 | F | A | 0.0000 | |
| 287 | N | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | S | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | K | A | -1.2200 | |
| 292 | G | A | 0.0000 | |
| 293 | H | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | D | A | -1.2779 | |
| 296 | C | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | R | A | -1.4372 | |
| 299 | F | A | -1.1420 | |
| 300 | L | A | 0.0000 | |
| 301 | R | A | -0.9457 | |
| 302 | S | A | -0.7385 | |
| 303 | Y | A | -0.5600 | |
| 304 | N | A | -1.0265 | |
| 305 | V | A | -0.7426 | |
| 306 | P | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | M | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | G | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | G | A | -0.0834 | |
| 314 | G | A | 0.0000 | |
| 315 | Y | A | -0.6811 | |
| 316 | T | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | R | A | -0.8781 | |
| 319 | N | A | -0.3948 | |
| 320 | V | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | R | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | W | A | 0.0000 | |
| 325 | C | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | E | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | V | A | -0.6435 | |
| 331 | A | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | G | A | -1.8097 | |
| 334 | V | A | -1.0680 | |
| 335 | E | A | -2.2258 | |
| 336 | P | A | -2.3012 | |
| 337 | D | A | -3.1853 | |
| 338 | N | A | -2.8163 | |
| 339 | K | A | -2.7845 | |
| 340 | L | A | 0.0000 | |
| 341 | P | A | -0.1896 | |
| 342 | Y | A | 0.8060 | |
| 343 | N | A | 0.0000 | |
| 344 | E | A | -1.5274 | |
| 345 | Y | A | 0.0000 | |
| 346 | F | A | -0.6226 | |
| 347 | E | A | -1.8011 | |
| 348 | Y | A | -1.0887 | |
| 349 | F | A | 0.0000 | |
| 350 | G | A | -1.0827 | |
| 351 | P | A | -1.2408 | |
| 352 | D | A | -1.9880 | |
| 353 | Y | A | -1.1260 | |
| 354 | T | A | -1.6362 | |
| 355 | L | A | 0.0000 | |
| 356 | H | A | -1.4797 | |
| 357 | V | A | -1.2192 | |
| 358 | D | A | -1.9593 | |
| 359 | P | A | -1.2102 | |
| 360 | S | A | -0.9693 | |
| 361 | P | A | -0.8719 | |
| 362 | M | A | -0.7285 | |
| 363 | E | A | -1.6981 | |
| 364 | N | A | -1.0159 | |
| 365 | L | A | -0.0518 | |
| 366 | N | A | 0.0000 | |
| 367 | T | A | -1.0839 | |
| 368 | P | A | -1.8708 | |
| 369 | K | A | -2.8799 | |
| 370 | D | A | -2.2156 | |
| 371 | M | A | 0.0000 | |
| 372 | E | A | -3.0239 | |
| 373 | R | A | -3.3196 | |
| 374 | I | A | -1.8351 | |
| 375 | R | A | -2.3295 | |
| 376 | N | A | -2.4710 | |
| 377 | T | A | -1.7568 | |
| 378 | L | A | 0.0000 | |
| 379 | L | A | -1.2343 | |
| 380 | E | A | -2.0849 | |
| 381 | Q | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | S | A | -0.1807 | |
| 384 | G | A | -0.1182 | |
| 385 | L | A | 0.0000 | |
| 386 | I | A | 1.8109 | |
| 387 | H | A | 0.1310 | |
| 388 | A | A | -0.3074 | |
| 389 | P | A | -0.1578 | |
| 390 | S | A | 0.2183 | |
| 391 | V | A | 1.6003 | |
| 392 | Q | A | 0.6965 | |
| 393 | F | A | 0.9922 | |
| 394 | Q | A | -0.6545 | |
| 395 | H | A | -1.2250 | |
| 396 | T | A | 0.0000 | |
| 397 | P | A | -1.9014 | |
| 398 | P | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | N | A | 0.0000 | |
| 401 | R | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | D | A | 0.0000 | |
| 405 | E | A | 0.0000 | |
| 406 | P | A | 0.0000 | |
| 407 | E | A | -1.6619 | |
| 408 | D | A | -2.2360 | |
| 409 | D | A | -2.4914 | |
| 410 | M | A | -1.6280 | |
| 411 | E | A | -1.5430 | |
| 412 | T | A | -1.5389 | |
| 413 | R | A | -2.4476 | |
| 414 | P | A | -1.9234 | |
| 415 | K | A | -1.8227 | |
| 416 | P | A | -0.7686 | |
| 417 | R | A | 0.2760 | |
| 418 | I | A | 1.6002 | |
| 419 | W | A | 0.6339 | |
| 420 | S | A | -0.4884 | |
| 421 | G | A | -0.7891 | |
| 422 | T | A | -0.5773 | |
| 423 | A | A | -0.1540 | |
| 424 | T | A | 0.0179 | |
| 425 | Y | A | 0.0994 | |
| 426 | E | A | -1.1327 | |
| 427 | S | A | -0.9516 | |
| 428 | D | A | 0.0000 | |
| 429 | S | A | 0.0000 | |
| 430 | D | A | 0.0000 | |
| 431 | D | A | 0.0000 | |
| 432 | D | A | 0.0000 | |
| 433 | D | A | 0.0000 | |
| 434 | K | A | 0.0000 | |
| 435 | P | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | H | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | Y | A | 0.0000 | |
| 440 | S | A | 0.0000 | |
| 441 | C | A | 0.0000 | |
| 442 | R | A | -1.4071 | |
| 443 | G | A | -1.3043 | |
| 444 | G | A | -1.1772 | |
| 445 | A | A | -0.7329 | |
| 446 | T | A | -0.8568 | |
| 447 | T | A | -1.6820 | |
| 448 | D | A | -3.2131 | |
| 449 | R | A | -3.7073 | |
| 450 | D | A | -3.3243 | |
| 451 | S | A | -1.9268 | |
| 452 | T | A | -1.4996 | |
| 453 | G | A | -2.2373 | |
| 454 | E | A | -3.3101 | |
| 455 | D | A | -3.4383 | |
| 456 | E | A | -3.3398 | |
| 457 | M | A | -2.1040 | |
| 458 | D | A | -3.2727 | |
| 459 | D | A | -3.8648 | |
| 460 | D | A | -3.9663 | |
| 461 | N | A | -3.5036 | |
| 462 | P | A | -2.7505 | |
| 463 | E | A | -2.8917 | |
| 464 | P | A | -1.9547 | |
| 465 | D | A | -2.0298 | |
| 466 | V | A | -0.2465 | |
| 467 | N | A | -1.0434 | |
| 468 | P | A | -0.8673 | |
| 469 | P | A | -0.6243 | |
| 470 | S | A | -0.6654 | |
| 471 | S | A | -0.4166 |
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