| Chain sequence(s) |
A: AFNNNPSSVGAYSSGTYRNLAQEMGKTNIQQKVNSTFDNMFGYNNTQQLYYPYTENGVYKAHYIKAINPDEGDDIRTEGQSWGMTAAVMLNKQEEFDNLWRFAKAYQKNPDNHPDAKKQGVYAWKLKLNQNGFVYKVDEGPAPDGEEYFAFALLNASARWGNSGEFNYYNDAITMLNTIKNKLMENQIIRFSPYIDNLTDPSYHIPAFYDYFANNVTNQADKNYWRQVATKSRTLLKNHFTKVSGSPHWNLPTFLSRLDGSPVIGYIFNGQANPGQWYEFDAWRVIMNVGLDAHLMGAQAWHKSAVNKALGFLSYAKTNNSKNCYEQVYSYGGAQNRGCAGEGQKAANAVALLASTNAGQANEFFNEFWSLSQPTGDYRYYNGSLYMLAMLHVSGNFKFYNNTFN
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:36)
[INFO] Main: Simulation completed successfully. (00:03:39)
|
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 | A | A | -0.5296 | |
| 2 | F | A | -1.1211 | |
| 3 | N | A | -1.5371 | |
| 4 | N | A | -1.9207 | |
| 5 | N | A | -2.0403 | |
| 6 | P | A | 0.0000 | |
| 7 | S | A | -0.3125 | |
| 8 | S | A | 0.1525 | |
| 9 | V | A | 1.4819 | |
| 10 | G | A | 0.0000 | |
| 11 | A | A | 0.0000 | |
| 12 | Y | A | 0.0472 | |
| 13 | S | A | 0.0899 | |
| 14 | S | A | -0.0016 | |
| 15 | G | A | -0.6203 | |
| 16 | T | A | -0.1990 | |
| 17 | Y | A | -0.2711 | |
| 18 | R | A | -0.6828 | |
| 19 | N | A | -0.9303 | |
| 20 | L | A | 0.0000 | |
| 21 | A | A | 0.0000 | |
| 22 | Q | A | -1.8314 | |
| 23 | E | A | -1.2487 | |
| 24 | M | A | 0.0000 | |
| 25 | G | A | -1.0793 | |
| 26 | K | A | -1.3615 | |
| 27 | T | A | -1.4915 | |
| 28 | N | A | -2.1995 | |
| 29 | I | A | 0.0000 | |
| 30 | Q | A | -2.1570 | |
| 31 | Q | A | -2.6034 | |
| 32 | K | A | -2.1267 | |
| 33 | V | A | 0.0000 | |
| 34 | N | A | -2.5541 | |
| 35 | S | A | -2.1075 | |
| 36 | T | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | D | A | -2.2981 | |
| 39 | N | A | -1.6164 | |
| 40 | M | A | 0.0000 | |
| 41 | F | A | 0.0000 | |
| 42 | G | A | -0.5976 | |
| 43 | Y | A | 0.3103 | |
| 44 | N | A | -0.7848 | |
| 45 | N | A | -1.3818 | |
| 46 | T | A | -1.1333 | |
| 47 | Q | A | -1.1316 | |
| 48 | Q | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | Y | A | 0.0000 | |
| 51 | Y | A | 0.0781 | |
| 52 | P | A | 0.1006 | |
| 53 | Y | A | 0.0000 | |
| 54 | T | A | 0.0865 | |
| 55 | E | A | -0.6518 | |
| 56 | N | A | -1.2395 | |
| 57 | G | A | -0.2966 | |
| 58 | V | A | 1.2435 | |
| 59 | Y | A | 0.9735 | |
| 60 | K | A | -0.1155 | |
| 61 | A | A | 0.0000 | |
| 62 | H | A | 0.0000 | |
| 63 | Y | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | K | A | -0.5208 | |
| 66 | A | A | 0.0000 | |
| 67 | I | A | -1.0888 | |
| 68 | N | A | -1.8794 | |
| 69 | P | A | -2.1484 | |
| 70 | D | A | -3.0877 | |
| 71 | E | A | -3.1106 | |
| 72 | G | A | -2.3070 | |
| 73 | D | A | -2.1164 | |
| 74 | D | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | R | A | -0.6743 | |
| 77 | T | A | 0.0000 | |
| 78 | E | A | -0.2482 | |
| 79 | G | A | 0.0000 | |
| 80 | Q | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | M | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | V | A | 0.0000 | |
| 89 | M | A | 0.0000 | |
| 90 | L | A | -0.9404 | |
| 91 | N | A | -1.9760 | |
| 92 | K | A | -2.0956 | |
| 93 | Q | A | -2.2119 | |
| 94 | E | A | -2.6226 | |
| 95 | E | A | -1.7828 | |
| 96 | F | A | 0.0000 | |
| 97 | D | A | 0.0000 | |
| 98 | N | A | -1.0559 | |
| 99 | L | A | 0.0000 | |
| 100 | W | A | 0.0000 | |
| 101 | R | A | -0.9834 | |
| 102 | F | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | K | A | -0.9966 | |
| 105 | A | A | -0.5126 | |
| 106 | Y | A | -0.0761 | |
| 107 | Q | A | 0.0000 | |
| 108 | K | A | -0.9472 | |
| 109 | N | A | 0.0000 | |
| 110 | P | A | -1.6853 | |
| 111 | D | A | -2.7846 | |
| 112 | N | A | -2.4768 | |
| 113 | H | A | -1.8887 | |
| 114 | P | A | -1.3350 | |
| 115 | D | A | -1.4670 | |
| 116 | A | A | -1.4235 | |
| 117 | K | A | -1.3900 | |
| 118 | K | A | -1.7808 | |
| 119 | Q | A | -2.2817 | |
| 120 | G | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | Y | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | W | A | -0.4118 | |
| 125 | K | A | -0.6286 | |
| 126 | L | A | 0.0000 | |
| 127 | K | A | -0.5203 | |
| 128 | L | A | -0.2123 | |
| 129 | N | A | -1.0536 | |
| 130 | Q | A | -1.9399 | |
| 131 | N | A | -2.0586 | |
| 132 | G | A | -1.2350 | |
| 133 | F | A | -0.2154 | |
| 134 | V | A | 0.4163 | |
| 135 | Y | A | 0.6241 | |
| 136 | K | A | -0.2724 | |
| 137 | V | A | 0.0858 | |
| 138 | D | A | -1.0076 | |
| 139 | E | A | -1.1323 | |
| 140 | G | A | -0.6911 | |
| 141 | P | A | -0.5665 | |
| 142 | A | A | 0.0000 | |
| 143 | P | A | 0.0000 | |
| 144 | D | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | E | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | S | A | 0.0000 | |
| 158 | A | A | -0.5911 | |
| 159 | R | A | -0.9404 | |
| 160 | W | A | -0.6691 | |
| 161 | G | A | -0.6697 | |
| 162 | N | A | -1.4753 | |
| 163 | S | A | -1.1921 | |
| 164 | G | A | -1.6714 | |
| 165 | E | A | -2.2676 | |
| 166 | F | A | -1.6099 | |
| 167 | N | A | -1.7555 | |
| 168 | Y | A | 0.0000 | |
| 169 | Y | A | -0.7126 | |
| 170 | N | A | -1.3653 | |
| 171 | D | A | -0.9808 | |
| 172 | A | A | 0.0000 | |
| 173 | I | A | -0.1834 | |
| 174 | T | A | -0.5277 | |
| 175 | M | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | N | A | -1.3497 | |
| 178 | T | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | K | A | -1.8748 | |
| 181 | N | A | -2.1565 | |
| 182 | K | A | -1.6600 | |
| 183 | L | A | 0.0000 | |
| 184 | M | A | -1.1959 | |
| 185 | E | A | -1.5872 | |
| 186 | N | A | -1.8537 | |
| 187 | Q | A | -1.3242 | |
| 188 | I | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | R | A | -0.4988 | |
| 191 | F | A | 0.0395 | |
| 192 | S | A | 0.0841 | |
| 193 | P | A | 0.0000 | |
| 194 | Y | A | 0.8402 | |
| 195 | I | A | 0.0371 | |
| 196 | D | A | -1.9273 | |
| 197 | N | A | -2.1393 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | 0.0000 | |
| 200 | D | A | 0.0000 | |
| 201 | P | A | 0.0000 | |
| 202 | S | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | H | A | 0.0000 | |
| 205 | I | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | A | A | 0.0000 | |
| 208 | F | A | 0.0000 | |
| 209 | Y | A | 0.0000 | |
| 210 | D | A | 0.0000 | |
| 211 | Y | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | N | A | -1.3009 | |
| 215 | N | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | T | A | -0.8038 | |
| 218 | N | A | -1.8422 | |
| 219 | Q | A | -2.2756 | |
| 220 | A | A | -1.5078 | |
| 221 | D | A | -2.0024 | |
| 222 | K | A | -2.4466 | |
| 223 | N | A | -2.5993 | |
| 224 | Y | A | -1.6057 | |
| 225 | W | A | 0.0000 | |
| 226 | R | A | -2.1276 | |
| 227 | Q | A | -2.0161 | |
| 228 | V | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | T | A | -1.0826 | |
| 231 | K | A | -1.4736 | |
| 232 | S | A | 0.0000 | |
| 233 | R | A | -0.9814 | |
| 234 | T | A | -1.1841 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | K | A | -1.8002 | |
| 238 | N | A | -1.7299 | |
| 239 | H | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | T | A | -1.0251 | |
| 242 | K | A | -1.3702 | |
| 243 | V | A | 0.0000 | |
| 244 | S | A | -0.6181 | |
| 245 | G | A | -0.2941 | |
| 246 | S | A | -0.1827 | |
| 247 | P | A | -0.0887 | |
| 248 | H | A | 0.0000 | |
| 249 | W | A | 0.3011 | |
| 250 | N | A | -0.3984 | |
| 251 | L | A | 0.0000 | |
| 252 | P | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | R | A | -1.2338 | |
| 258 | L | A | -1.6931 | |
| 259 | D | A | -2.2375 | |
| 260 | G | A | 0.0000 | |
| 261 | S | A | -0.7106 | |
| 262 | P | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | I | A | 2.3430 | |
| 265 | G | A | 1.6978 | |
| 266 | Y | A | 1.8576 | |
| 267 | I | A | 1.6441 | |
| 268 | F | A | 0.4487 | |
| 269 | N | A | -0.9212 | |
| 270 | G | A | -0.7511 | |
| 271 | Q | A | 0.0000 | |
| 272 | A | A | -0.1647 | |
| 273 | N | A | 0.0456 | |
| 274 | P | A | 0.8913 | |
| 275 | G | A | 0.0000 | |
| 276 | Q | A | 0.0000 | |
| 277 | W | A | 0.5285 | |
| 278 | Y | A | 0.0000 | |
| 279 | E | A | 0.0000 | |
| 280 | F | A | 0.8620 | |
| 281 | D | A | 0.2465 | |
| 282 | A | A | 0.0000 | |
| 283 | W | A | 0.0000 | |
| 284 | R | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | M | A | 0.0000 | |
| 288 | N | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | D | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | H | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | M | A | 0.5047 | |
| 297 | G | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | Q | A | -0.8867 | |
| 300 | A | A | -0.6932 | |
| 301 | W | A | 0.0000 | |
| 302 | H | A | 0.0000 | |
| 303 | K | A | -1.1078 | |
| 304 | S | A | -0.9430 | |
| 305 | A | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | N | A | -1.2613 | |
| 308 | K | A | -1.4025 | |
| 309 | A | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | G | A | -0.4754 | |
| 312 | F | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | S | A | -0.1152 | |
| 315 | Y | A | 0.8036 | |
| 316 | A | A | 0.0000 | |
| 317 | K | A | -1.0804 | |
| 318 | T | A | -1.0604 | |
| 319 | N | A | -1.6870 | |
| 320 | N | A | -1.8314 | |
| 321 | S | A | -1.8795 | |
| 322 | K | A | -2.6893 | |
| 323 | N | A | -2.5237 | |
| 324 | C | A | -1.3630 | |
| 325 | Y | A | 0.0000 | |
| 326 | E | A | 0.0000 | |
| 327 | Q | A | -0.9263 | |
| 328 | V | A | 0.0000 | |
| 329 | Y | A | 0.0000 | |
| 330 | S | A | 0.2815 | |
| 331 | Y | A | 0.6416 | |
| 332 | G | A | 0.2737 | |
| 333 | G | A | -0.1759 | |
| 334 | A | A | -1.1015 | |
| 335 | Q | A | -1.5591 | |
| 336 | N | A | -2.4468 | |
| 337 | R | A | -2.7304 | |
| 338 | G | A | -1.8219 | |
| 339 | C | A | -1.2089 | |
| 340 | A | A | 0.0000 | |
| 341 | G | A | -0.2439 | |
| 342 | E | A | -0.4723 | |
| 343 | G | A | 0.0000 | |
| 344 | Q | A | 0.0000 | |
| 345 | K | A | -0.5500 | |
| 346 | A | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | N | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | S | A | 0.0000 | |
| 356 | T | A | -1.5079 | |
| 357 | N | A | -1.8747 | |
| 358 | A | A | -1.4510 | |
| 359 | G | A | -1.3086 | |
| 360 | Q | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | N | A | -1.6763 | |
| 363 | E | A | -1.5953 | |
| 364 | F | A | 0.0000 | |
| 365 | F | A | 0.0000 | |
| 366 | N | A | -1.3983 | |
| 367 | E | A | -1.0736 | |
| 368 | F | A | 0.0000 | |
| 369 | W | A | -0.4459 | |
| 370 | S | A | -0.3942 | |
| 371 | L | A | -0.2360 | |
| 372 | S | A | -0.2464 | |
| 373 | Q | A | -0.4196 | |
| 374 | P | A | 0.0000 | |
| 375 | T | A | -0.6784 | |
| 376 | G | A | -0.9460 | |
| 377 | D | A | -1.6428 | |
| 378 | Y | A | 0.1461 | |
| 379 | R | A | 0.0000 | |
| 380 | Y | A | 0.0000 | |
| 381 | Y | A | 0.3449 | |
| 382 | N | A | 0.0000 | |
| 383 | G | A | 0.0000 | |
| 384 | S | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | M | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | M | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | H | A | 0.0000 | |
| 393 | V | A | 0.0000 | |
| 394 | S | A | 0.0000 | |
| 395 | G | A | 0.0000 | |
| 396 | N | A | -0.4122 | |
| 397 | F | A | 0.0000 | |
| 398 | K | A | -0.5796 | |
| 399 | F | A | 0.0000 | |
| 400 | Y | A | -0.5110 | |
| 401 | N | A | -1.0756 | |
| 402 | N | A | -0.6027 | |
| 403 | T | A | -0.0990 | |
| 404 | F | A | 0.5304 | |
| 405 | N | A | -0.6507 |
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