| Chain sequence(s) |
A: AIDFTLDDQESTKQAAAAIAKNMMTWYKGDESPNAPGLLPQPYYWWNAGAMFGSLIDYWYYTGDDTYNAVTTEAMLFQVGPDKNYMPPNQSKSLGNDDQAFWGMAAMSAAEVNFPNPPADQPQWLYLAQAVLNSQIPRWDDTTCGGGLRWQIFTFNNGYNYKNSISNGCFFNLAARMGMYLGNDTYFEQAEKAWDWSYAVGLINPTYQVYDGSDDTLNCTEFNHIQWSYNAGVYLLGAAVMWNQTTGDKQGQWRVRVQGMLDSAARIFFYESTNIMYEVACEPSGNCNLDQKSFKAYLARWMAATVKVAPWTHDTIMPLIRTSAVAAAKVCQPSATDGAICGSKWWDGTFDNNVGVGQQMSALEAIQSTLIDGVSGPVGNKTGGTSVGDPNAGTGGSSIVN
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 (00:04:05)
[INFO] Main: Simulation completed successfully. (00:04:07)
|
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 | -0.6489 | |
| 2 | I | A | -0.9081 | |
| 3 | D | A | -1.7960 | |
| 4 | F | A | -1.1569 | |
| 5 | T | A | -1.3188 | |
| 6 | L | A | -1.2313 | |
| 7 | D | A | -2.6742 | |
| 8 | D | A | -2.9289 | |
| 9 | Q | A | -3.3438 | |
| 10 | E | A | -3.4233 | |
| 11 | S | A | -2.5967 | |
| 12 | T | A | 0.0000 | |
| 13 | K | A | -2.3991 | |
| 14 | Q | A | -2.3204 | |
| 15 | A | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | A | A | -1.1281 | |
| 18 | A | A | -1.3521 | |
| 19 | I | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | K | A | -1.9517 | |
| 22 | N | A | 0.0000 | |
| 23 | M | A | 0.0000 | |
| 24 | M | A | -0.3737 | |
| 25 | T | A | -0.2309 | |
| 26 | W | A | 0.0776 | |
| 27 | Y | A | -0.3976 | |
| 28 | K | A | -1.7946 | |
| 29 | G | A | 0.0000 | |
| 30 | D | A | -3.1809 | |
| 31 | E | A | -3.2819 | |
| 32 | S | A | -2.1042 | |
| 33 | P | A | -1.6696 | |
| 34 | N | A | -2.1569 | |
| 35 | A | A | -1.1822 | |
| 36 | P | A | -0.7200 | |
| 37 | G | A | 0.0000 | |
| 38 | L | A | 0.2085 | |
| 39 | L | A | -0.0098 | |
| 40 | P | A | -0.4937 | |
| 41 | Q | A | -0.9667 | |
| 42 | P | A | -0.6083 | |
| 43 | Y | A | 0.0000 | |
| 44 | Y | A | 1.1713 | |
| 45 | W | A | 0.6807 | |
| 46 | W | A | 0.5902 | |
| 47 | N | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | M | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | W | A | -0.4746 | |
| 60 | Y | A | -0.0594 | |
| 61 | Y | A | 0.0000 | |
| 62 | T | A | 0.0000 | |
| 63 | G | A | -1.0113 | |
| 64 | D | A | -1.5376 | |
| 65 | D | A | -2.1464 | |
| 66 | T | A | -1.2711 | |
| 67 | Y | A | 0.0000 | |
| 68 | N | A | -0.9813 | |
| 69 | A | A | -0.6198 | |
| 70 | V | A | -0.4526 | |
| 71 | T | A | 0.0000 | |
| 72 | T | A | -0.5468 | |
| 73 | E | A | -1.1252 | |
| 74 | A | A | 0.0000 | |
| 75 | M | A | 0.0000 | |
| 76 | L | A | 0.3355 | |
| 77 | F | A | 1.4825 | |
| 78 | Q | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | G | A | -0.5056 | |
| 81 | P | A | -0.5918 | |
| 82 | D | A | -1.1846 | |
| 83 | K | A | -1.1269 | |
| 84 | N | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | M | A | 0.0000 | |
| 87 | P | A | -0.6365 | |
| 88 | P | A | -1.1139 | |
| 89 | N | A | -1.7455 | |
| 90 | Q | A | -1.1569 | |
| 91 | S | A | -1.0277 | |
| 92 | K | A | -1.8787 | |
| 93 | S | A | -0.9720 | |
| 94 | L | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | N | A | 0.0000 | |
| 97 | D | A | 0.0000 | |
| 98 | D | A | 0.0000 | |
| 99 | Q | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | M | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | M | A | 0.0000 | |
| 108 | S | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | 0.0000 | |
| 112 | V | A | -0.0688 | |
| 113 | N | A | -0.6446 | |
| 114 | F | A | 0.0000 | |
| 115 | P | A | -1.0230 | |
| 116 | N | A | -1.1517 | |
| 117 | P | A | -1.2645 | |
| 118 | P | A | -1.2147 | |
| 119 | A | A | -1.0531 | |
| 120 | D | A | -2.0959 | |
| 121 | Q | A | -1.6577 | |
| 122 | P | A | -0.7648 | |
| 123 | Q | A | -0.3600 | |
| 124 | W | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | Y | A | -0.0626 | |
| 127 | L | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | Q | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | N | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | Q | A | 0.0000 | |
| 136 | I | A | 0.2619 | |
| 137 | P | A | -0.2214 | |
| 138 | R | A | -0.5904 | |
| 139 | W | A | -0.6922 | |
| 140 | D | A | -1.3286 | |
| 141 | D | A | -2.1577 | |
| 142 | T | A | -1.2849 | |
| 143 | T | A | -1.1500 | |
| 144 | C | A | 0.0000 | |
| 145 | G | A | -1.3823 | |
| 146 | G | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | R | A | 0.2241 | |
| 150 | W | A | 0.5983 | |
| 151 | Q | A | 0.0000 | |
| 152 | I | A | 0.3008 | |
| 153 | F | A | 0.0000 | |
| 154 | T | A | 0.6753 | |
| 155 | F | A | 1.4059 | |
| 156 | N | A | 0.0000 | |
| 157 | N | A | -0.9897 | |
| 158 | G | A | -0.1472 | |
| 159 | Y | A | 0.3501 | |
| 160 | N | A | -0.2739 | |
| 161 | Y | A | 0.6320 | |
| 162 | K | A | 0.0000 | |
| 163 | N | A | 0.0863 | |
| 164 | S | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | N | A | 0.0000 | |
| 168 | G | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | N | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | R | A | 0.0000 | |
| 177 | M | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | M | A | -0.7987 | |
| 180 | Y | A | 0.0000 | |
| 181 | L | A | -1.1928 | |
| 182 | G | A | -1.4885 | |
| 183 | N | A | -1.6509 | |
| 184 | D | A | -2.5529 | |
| 185 | T | A | -1.7408 | |
| 186 | Y | A | 0.0000 | |
| 187 | F | A | -1.8003 | |
| 188 | E | A | -2.8211 | |
| 189 | Q | A | -1.6465 | |
| 190 | A | A | 0.0000 | |
| 191 | E | A | -2.0518 | |
| 192 | K | A | -2.3475 | |
| 193 | A | A | 0.0000 | |
| 194 | W | A | 0.0000 | |
| 195 | D | A | -2.0257 | |
| 196 | W | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | Y | A | -0.2170 | |
| 199 | A | A | -0.2442 | |
| 200 | V | A | -0.2588 | |
| 201 | G | A | -0.2701 | |
| 202 | L | A | 0.0000 | |
| 203 | I | A | 0.0000 | |
| 204 | N | A | -0.4326 | |
| 205 | P | A | -0.4334 | |
| 206 | T | A | -0.6199 | |
| 207 | Y | A | -0.6815 | |
| 208 | Q | A | -1.0208 | |
| 209 | V | A | 0.0000 | |
| 210 | Y | A | -0.5030 | |
| 211 | D | A | -0.5224 | |
| 212 | G | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | D | A | -0.5766 | |
| 215 | D | A | 0.0000 | |
| 216 | T | A | -0.1947 | |
| 217 | L | A | 0.0576 | |
| 218 | N | A | -1.1245 | |
| 219 | C | A | 0.0000 | |
| 220 | T | A | -0.8578 | |
| 221 | E | A | -1.9024 | |
| 222 | F | A | -1.0222 | |
| 223 | N | A | -1.5557 | |
| 224 | H | A | -1.3219 | |
| 225 | I | A | -0.1096 | |
| 226 | Q | A | -0.1563 | |
| 227 | W | A | 0.0000 | |
| 228 | S | A | 0.0000 | |
| 229 | Y | A | 0.0000 | |
| 230 | N | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | G | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | Y | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | M | A | 0.0000 | |
| 242 | W | A | -1.0215 | |
| 243 | N | A | -1.1006 | |
| 244 | Q | A | -0.9593 | |
| 245 | T | A | -1.2730 | |
| 246 | T | A | -1.4355 | |
| 247 | G | A | -2.0037 | |
| 248 | D | A | -3.0965 | |
| 249 | K | A | -2.7179 | |
| 250 | Q | A | -2.3416 | |
| 251 | G | A | -2.1263 | |
| 252 | Q | A | -2.1395 | |
| 253 | W | A | 0.0000 | |
| 254 | R | A | -1.6920 | |
| 255 | V | A | -0.2600 | |
| 256 | R | A | -0.6287 | |
| 257 | V | A | 0.0000 | |
| 258 | Q | A | -1.3197 | |
| 259 | G | A | -1.1137 | |
| 260 | M | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | D | A | -2.5277 | |
| 263 | S | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | A | A | -1.6464 | |
| 266 | R | A | -2.5079 | |
| 267 | I | A | -1.0031 | |
| 268 | F | A | 0.0000 | |
| 269 | F | A | 0.0000 | |
| 270 | Y | A | -1.0410 | |
| 271 | E | A | -2.2637 | |
| 272 | S | A | -1.1840 | |
| 273 | T | A | -0.8173 | |
| 274 | N | A | -1.1989 | |
| 275 | I | A | -0.2991 | |
| 276 | M | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | E | A | 0.0000 | |
| 279 | V | A | 0.6310 | |
| 280 | A | A | 0.1779 | |
| 281 | C | A | 0.0000 | |
| 282 | E | A | 0.0000 | |
| 283 | P | A | -0.5291 | |
| 284 | S | A | -0.7169 | |
| 285 | G | A | -1.3100 | |
| 286 | N | A | -1.7727 | |
| 287 | C | A | -1.4606 | |
| 288 | N | A | -1.7022 | |
| 289 | L | A | -0.6831 | |
| 290 | D | A | -0.7320 | |
| 291 | Q | A | -1.0160 | |
| 292 | K | A | -0.8396 | |
| 293 | S | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | K | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | Y | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | R | A | 0.0000 | |
| 301 | W | A | 0.0000 | |
| 302 | M | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | A | A | -0.1657 | |
| 305 | T | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | K | A | -0.9303 | |
| 308 | V | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | P | A | -0.7084 | |
| 311 | W | A | -0.6341 | |
| 312 | T | A | 0.0000 | |
| 313 | H | A | -1.6146 | |
| 314 | D | A | -2.0598 | |
| 315 | T | A | -1.3760 | |
| 316 | I | A | 0.0000 | |
| 317 | M | A | 0.0000 | |
| 318 | P | A | -1.0626 | |
| 319 | L | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | R | A | -0.8402 | |
| 322 | T | A | -0.2806 | |
| 323 | S | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | V | A | 0.2793 | |
| 326 | A | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | K | A | -1.2977 | |
| 330 | V | A | 0.0000 | |
| 331 | C | A | 0.0000 | |
| 332 | Q | A | -0.6916 | |
| 333 | P | A | -0.9124 | |
| 334 | S | A | -0.8451 | |
| 335 | A | A | -0.5053 | |
| 336 | T | A | -1.1801 | |
| 337 | D | A | -2.1381 | |
| 338 | G | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | I | A | -0.3721 | |
| 341 | C | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | S | A | 0.0000 | |
| 344 | K | A | -1.5519 | |
| 345 | W | A | 0.0000 | |
| 346 | W | A | -0.9574 | |
| 347 | D | A | -2.0455 | |
| 348 | G | A | -1.2827 | |
| 349 | T | A | -1.0509 | |
| 350 | F | A | -0.6738 | |
| 351 | D | A | -1.3211 | |
| 352 | N | A | -1.4780 | |
| 353 | N | A | -1.2383 | |
| 354 | V | A | -0.2764 | |
| 355 | G | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | Q | A | 0.0000 | |
| 359 | Q | A | 0.0000 | |
| 360 | M | A | 0.0000 | |
| 361 | S | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | E | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | Q | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | T | A | -1.1218 | |
| 370 | L | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | D | A | -2.0786 | |
| 373 | G | A | -1.3782 | |
| 374 | V | A | -0.6066 | |
| 375 | S | A | -0.5565 | |
| 376 | G | A | -0.5839 | |
| 377 | P | A | -0.1694 | |
| 378 | V | A | -0.6196 | |
| 379 | G | A | 0.0000 | |
| 380 | N | A | -2.0306 | |
| 381 | K | A | -2.4472 | |
| 382 | T | A | -1.4648 | |
| 383 | G | A | -1.2700 | |
| 384 | G | A | -0.8668 | |
| 385 | T | A | -0.2847 | |
| 386 | S | A | 0.0000 | |
| 387 | V | A | 1.1458 | |
| 388 | G | A | -0.0570 | |
| 389 | D | A | -1.4274 | |
| 390 | P | A | -1.4811 | |
| 391 | N | A | -1.8895 | |
| 392 | A | A | 0.0000 | |
| 393 | G | A | -1.0396 | |
| 394 | T | A | -0.8046 | |
| 395 | G | A | -1.1161 | |
| 396 | G | A | -0.6477 | |
| 397 | S | A | 0.0000 | |
| 398 | S | A | -0.1644 | |
| 399 | I | A | 0.6809 | |
| 400 | V | A | 1.2536 | |
| 401 | N | A | -0.5088 |
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