| Chain sequence(s) |
A: PDGRKRRVSYFYEPTIGDYYYGQGHPMKPHRIRMAHSLIIHYHLHRRLEISRPSLADASDIGRFHSPEYVDFLASVSPESMGDPSAARNLRRFNVGEDCPVFDGLFDFCRASAGGSIGAAVKLNRQDADIAINWGGGLHHAKKSEASGFCYVNDIVLGILELLKMFKRVLYIDIDVHHGDGVEEAFYTTDRVMTVSFHKFGDFFPGTGHIRDVGAEKGKYYALNVPLNDGMDDESFRSLFRPLIQKVMEVYQPEAVVLQCGADSLSGDRLGCFNLSVKGHADCLRFLRSYNVPLMVLGGGGYTIRNVARCWCYETAVAVGVEPDNKLPYNEYFEYFGPDYTLHVDPSPMENLNTPKDMERIRNTLLEQLSGLIHAPSVQ
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 (00:06:39)
[INFO] Main: Simulation completed successfully. (00:06:41)
|
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 | |
| 14 | P | A | -1.4727 | |
| 15 | D | A | -2.6424 | |
| 16 | G | A | -2.5638 | |
| 17 | R | A | -3.3360 | |
| 18 | K | A | -2.9901 | |
| 19 | R | A | -2.7393 | |
| 20 | R | A | -3.4558 | |
| 21 | V | A | 0.0000 | |
| 22 | S | A | 0.0000 | |
| 23 | Y | A | 0.0000 | |
| 24 | F | A | 0.0000 | |
| 25 | Y | A | -0.3063 | |
| 26 | E | A | 0.0000 | |
| 27 | P | A | -0.5979 | |
| 28 | T | A | -0.4705 | |
| 29 | I | A | 0.0000 | |
| 30 | G | A | 0.0000 | |
| 31 | D | A | -1.1951 | |
| 32 | Y | A | -0.2404 | |
| 33 | Y | A | -0.2005 | |
| 34 | Y | A | -0.6305 | |
| 35 | G | A | 0.0000 | |
| 36 | Q | A | -1.7223 | |
| 37 | G | A | -1.3991 | |
| 38 | H | A | -1.2535 | |
| 39 | P | A | -0.8214 | |
| 40 | M | A | -0.1187 | |
| 41 | K | A | -0.6813 | |
| 42 | P | A | 0.0000 | |
| 43 | H | A | 0.0000 | |
| 44 | R | A | -0.1248 | |
| 45 | I | A | 0.0017 | |
| 46 | R | A | -0.3589 | |
| 47 | M | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | H | A | -0.2000 | |
| 50 | S | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | I | A | -0.3404 | |
| 54 | H | A | -0.3263 | |
| 55 | Y | A | -0.8136 | |
| 56 | H | A | -1.5194 | |
| 57 | L | A | 0.0000 | |
| 58 | H | A | -2.0609 | |
| 59 | R | A | -2.7652 | |
| 60 | R | A | -2.4471 | |
| 61 | L | A | 0.0000 | |
| 62 | E | A | -2.1956 | |
| 63 | I | A | -0.6608 | |
| 64 | S | A | -0.9128 | |
| 65 | R | A | -1.6451 | |
| 66 | P | A | 0.0000 | |
| 67 | S | A | -0.6487 | |
| 68 | L | A | -0.4990 | |
| 69 | A | A | 0.0000 | |
| 70 | D | A | -1.5501 | |
| 71 | A | A | -1.3773 | |
| 72 | S | A | -1.1701 | |
| 73 | D | A | -1.2971 | |
| 74 | I | A | 0.0000 | |
| 75 | G | A | -1.7681 | |
| 76 | R | A | -1.5036 | |
| 77 | F | A | -0.9551 | |
| 78 | H | A | 0.0000 | |
| 79 | S | A | -1.7430 | |
| 80 | P | A | -2.0304 | |
| 81 | E | A | -2.7053 | |
| 82 | Y | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | D | A | -2.4514 | |
| 85 | F | A | -1.2718 | |
| 86 | L | A | 0.0000 | |
| 87 | A | A | -0.5637 | |
| 88 | S | A | -0.7173 | |
| 89 | V | A | 0.0000 | |
| 90 | S | A | -0.5167 | |
| 91 | P | A | -0.7467 | |
| 92 | E | A | -2.0696 | |
| 93 | S | A | -1.3749 | |
| 94 | M | A | -1.2232 | |
| 95 | G | A | -1.7998 | |
| 96 | D | A | -2.6638 | |
| 97 | P | A | -1.8302 | |
| 98 | S | A | -1.6504 | |
| 99 | A | A | -2.0175 | |
| 100 | A | A | -2.4626 | |
| 101 | R | A | -3.5409 | |
| 102 | N | A | -2.7847 | |
| 103 | L | A | -2.6142 | |
| 104 | R | A | -3.8203 | |
| 105 | R | A | -3.6587 | |
| 106 | F | A | 0.0000 | |
| 107 | N | A | -2.6607 | |
| 108 | V | A | -1.5917 | |
| 109 | G | A | -1.7606 | |
| 110 | E | A | -2.4718 | |
| 111 | D | A | -2.3790 | |
| 112 | C | A | -0.9068 | |
| 113 | P | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | F | A | -0.0518 | |
| 116 | D | A | -0.5176 | |
| 117 | G | A | -0.0079 | |
| 118 | L | A | 0.0000 | |
| 119 | F | A | -0.1880 | |
| 120 | D | A | -0.6759 | |
| 121 | F | A | 0.0000 | |
| 122 | C | A | 0.0000 | |
| 123 | R | A | -0.8907 | |
| 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 | 0.2670 | |
| 131 | G | A | -0.2108 | |
| 132 | A | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | V | A | -0.6553 | |
| 135 | K | A | -1.9326 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | R | A | -2.7262 | |
| 139 | Q | A | -2.9845 | |
| 140 | D | A | -2.6572 | |
| 141 | A | A | -2.5101 | |
| 142 | D | A | -2.3010 | |
| 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 | -0.0005 | |
| 149 | G | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | H | A | 0.0000 | |
| 153 | H | A | -0.7948 | |
| 154 | A | A | 0.0000 | |
| 155 | K | A | -1.7068 | |
| 156 | K | A | -2.2255 | |
| 157 | S | A | -1.9376 | |
| 158 | E | A | -1.9402 | |
| 159 | A | A | 0.0000 | |
| 160 | S | A | -0.6372 | |
| 161 | G | A | -0.2898 | |
| 162 | F | A | 0.2946 | |
| 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 | 0.2013 | |
| 174 | E | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | L | A | -0.4228 | |
| 177 | K | A | -1.0399 | |
| 178 | M | A | -0.0777 | |
| 179 | F | A | -0.5677 | |
| 180 | K | A | -1.4388 | |
| 181 | R | A | 0.0000 | |
| 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 | -0.4010 | |
| 191 | H | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | D | A | -0.6535 | |
| 194 | G | A | -1.3136 | |
| 195 | V | A | 0.0000 | |
| 196 | E | A | 0.0000 | |
| 197 | E | A | -1.8249 | |
| 198 | A | A | -0.9889 | |
| 199 | F | A | 0.0000 | |
| 200 | Y | A | -1.1562 | |
| 201 | T | A | -1.5571 | |
| 202 | T | A | -1.4521 | |
| 203 | D | A | -1.2889 | |
| 204 | R | A | -1.0063 | |
| 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 | -0.7631 | |
| 213 | F | A | 0.2730 | |
| 214 | G | A | -0.2566 | |
| 215 | D | A | -0.7400 | |
| 216 | F | A | 1.0756 | |
| 217 | F | A | 1.7469 | |
| 218 | P | A | 0.2314 | |
| 219 | G | A | -0.3335 | |
| 220 | T | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | H | A | -0.6490 | |
| 223 | I | A | 0.0027 | |
| 224 | R | A | -1.4690 | |
| 225 | D | A | -0.8389 | |
| 226 | V | A | -0.2919 | |
| 227 | G | A | 0.0000 | |
| 228 | A | A | -1.6192 | |
| 229 | E | A | -2.9405 | |
| 230 | K | A | -2.8242 | |
| 231 | G | A | 0.0000 | |
| 232 | K | A | -1.8948 | |
| 233 | Y | A | -0.4402 | |
| 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 | 0.1586 | |
| 240 | L | A | 0.0000 | |
| 241 | N | A | -0.4875 | |
| 242 | D | A | -0.8125 | |
| 243 | G | A | 0.0000 | |
| 244 | M | A | 0.0000 | |
| 245 | D | A | -1.8295 | |
| 246 | D | A | -2.3984 | |
| 247 | E | A | -2.8118 | |
| 248 | S | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | R | A | -2.7351 | |
| 251 | S | A | -2.0272 | |
| 252 | L | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | R | A | -1.7953 | |
| 255 | P | A | -1.2942 | |
| 256 | L | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | Q | A | -1.4719 | |
| 259 | K | A | -1.6619 | |
| 260 | V | A | 0.0000 | |
| 261 | M | A | 0.0000 | |
| 262 | E | A | -2.2715 | |
| 263 | V | A | -0.6219 | |
| 264 | Y | A | 0.0000 | |
| 265 | Q | A | -1.9150 | |
| 266 | P | A | 0.0000 | |
| 267 | E | A | -1.1615 | |
| 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 | -0.7906 | |
| 281 | D | A | 0.0000 | |
| 282 | R | A | -0.9193 | |
| 283 | L | A | 0.7753 | |
| 284 | G | A | -0.0160 | |
| 285 | C | A | -0.5518 | |
| 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 | -1.7081 | |
| 292 | G | A | 0.0000 | |
| 293 | H | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | D | A | -1.4242 | |
| 296 | C | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | R | A | -1.1184 | |
| 299 | F | A | -0.7712 | |
| 300 | L | A | 0.0000 | |
| 301 | R | A | -0.8552 | |
| 302 | S | A | -0.6116 | |
| 303 | Y | A | -0.5207 | |
| 304 | N | A | -1.2803 | |
| 305 | V | A | -0.7933 | |
| 306 | P | A | -0.8236 | |
| 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 | 0.2682 | |
| 314 | G | A | 0.0000 | |
| 315 | Y | A | 0.9341 | |
| 316 | T | A | 0.0000 | |
| 317 | I | A | 0.3153 | |
| 318 | R | A | -0.6711 | |
| 319 | N | A | -0.2738 | |
| 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 | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | G | A | -0.9792 | |
| 334 | V | A | -0.7471 | |
| 335 | E | A | -2.1573 | |
| 336 | P | A | -2.3004 | |
| 337 | D | A | -3.2767 | |
| 338 | N | A | -3.0657 | |
| 339 | K | A | -2.9096 | |
| 340 | L | A | 0.0000 | |
| 341 | P | A | -0.2504 | |
| 342 | Y | A | 0.7769 | |
| 343 | N | A | 0.0000 | |
| 344 | E | A | -1.5482 | |
| 345 | Y | A | 0.0000 | |
| 346 | F | A | -0.7176 | |
| 347 | E | A | -1.8484 | |
| 348 | Y | A | -0.8569 | |
| 349 | F | A | 0.0000 | |
| 350 | G | A | -1.1156 | |
| 351 | P | A | -1.2406 | |
| 352 | D | A | -1.9870 | |
| 353 | Y | A | -1.1700 | |
| 354 | T | A | -1.7187 | |
| 355 | L | A | 0.0000 | |
| 356 | H | A | -1.6374 | |
| 357 | V | A | -1.3015 | |
| 358 | D | A | -1.9923 | |
| 359 | P | A | -1.2006 | |
| 360 | S | A | -0.9497 | |
| 361 | P | A | -0.8570 | |
| 362 | M | A | -0.7078 | |
| 363 | E | A | -1.6815 | |
| 364 | N | A | -0.9880 | |
| 365 | L | A | 0.0149 | |
| 366 | N | A | 0.0000 | |
| 367 | T | A | -1.1248 | |
| 368 | P | A | -1.9810 | |
| 369 | K | A | -3.0481 | |
| 370 | D | A | -2.3520 | |
| 371 | M | A | 0.0000 | |
| 372 | E | A | -3.4863 | |
| 373 | R | A | -3.5373 | |
| 374 | I | A | -2.0045 | |
| 375 | R | A | -2.3850 | |
| 376 | N | A | -2.5494 | |
| 377 | T | A | -1.8346 | |
| 378 | L | A | 0.0000 | |
| 379 | L | A | -1.2120 | |
| 380 | E | A | -2.0734 | |
| 381 | Q | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | S | A | -0.1799 | |
| 384 | G | A | -0.1264 | |
| 385 | L | A | 0.0000 | |
| 386 | I | A | 1.8195 | |
| 387 | H | A | 0.1283 | |
| 388 | A | A | -0.3113 | |
| 389 | P | A | -0.1578 | |
| 390 | S | A | 0.0740 | |
| 391 | V | A | 0.8116 | |
| 392 | Q | A | -0.9804 |
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