| Chain sequence(s) |
A: MHYYNKLKFLALASVISATSAHPTSDHYYADAESEACLNGKAVYVTSNTEHNSVVAIPIARNGSLLVNYATSTATGGRGGNGINPRGMPAGPDALFGQGSITIAGDYLFAVNAGSNTVTMLAIDKHDPTKVTVVGEPAELPGEFPTTVGASDKFNLVCVGLTGAKAGVSCASYSWYGLGPFDELRPFDLHQTTPPHGPTNTVSHVFFSGDQETVFTTVKGDPAVNNTGFLAAYPVEHIHSSCYATPSVSHKGVISSPEGTAVLFGSTPIPDTTNLFATDASFGAVILGIEDYEASTLYKTVIPGQDATCWVAICPATHTAFVTDIRMNRLVEMSLANAEIIGEPIDLTTFSNDPGLTEIRSGGSFVYALSPGNGTTEAWITVLNALTKKPVQHALLTPLGLDRNAMGMAILV
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:35)
[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 | M | A | 0.8364 | |
| 2 | H | A | 0.5893 | |
| 3 | Y | A | 1.3688 | |
| 4 | Y | A | 0.7243 | |
| 5 | N | A | -0.8302 | |
| 6 | K | A | -1.5530 | |
| 7 | L | A | -0.0499 | |
| 8 | K | A | 0.0814 | |
| 9 | F | A | 2.1469 | |
| 10 | L | A | 2.4943 | |
| 11 | A | A | 1.8884 | |
| 12 | L | A | 2.0740 | |
| 13 | A | A | 1.4133 | |
| 14 | S | A | 1.4644 | |
| 15 | V | A | 2.7683 | |
| 16 | I | A | 2.7303 | |
| 17 | S | A | 1.1773 | |
| 18 | A | A | 0.5838 | |
| 19 | T | A | 0.0287 | |
| 20 | S | A | -0.4742 | |
| 21 | A | A | -0.6029 | |
| 22 | H | A | -1.1702 | |
| 23 | P | A | -1.0612 | |
| 24 | T | A | -1.1447 | |
| 25 | S | A | -1.3873 | |
| 26 | D | A | -1.8740 | |
| 27 | H | A | -0.8738 | |
| 28 | Y | A | 0.6759 | |
| 29 | Y | A | 0.8631 | |
| 30 | A | A | -0.1623 | |
| 31 | D | A | -1.7131 | |
| 32 | A | A | -1.8477 | |
| 33 | E | A | -2.9694 | |
| 34 | S | A | -2.1580 | |
| 35 | E | A | -2.0767 | |
| 36 | A | A | -0.7502 | |
| 37 | C | A | 0.6923 | |
| 38 | L | A | 0.9384 | |
| 39 | N | A | 0.0753 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | -0.6361 | |
| 42 | A | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | Y | A | 0.0000 | |
| 45 | V | A | 0.0000 | |
| 46 | T | A | 0.0000 | |
| 47 | S | A | 0.0000 | |
| 48 | N | A | 0.0000 | |
| 49 | T | A | -2.1658 | |
| 50 | E | A | -3.1704 | |
| 51 | H | A | -2.5999 | |
| 52 | N | A | 0.0000 | |
| 53 | S | A | -0.9505 | |
| 54 | V | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | I | A | 0.0000 | |
| 58 | P | A | -0.2414 | |
| 59 | I | A | 0.0000 | |
| 60 | A | A | -1.4071 | |
| 61 | R | A | -2.5107 | |
| 62 | N | A | -2.1045 | |
| 63 | G | A | 0.0000 | |
| 64 | S | A | -0.5773 | |
| 65 | L | A | 0.0000 | |
| 66 | L | A | 0.5855 | |
| 67 | V | A | 0.3775 | |
| 68 | N | A | -0.3848 | |
| 69 | Y | A | 0.9139 | |
| 70 | A | A | 0.2038 | |
| 71 | T | A | -0.2808 | |
| 72 | S | A | -0.4877 | |
| 73 | T | A | -0.3323 | |
| 74 | A | A | -0.5225 | |
| 75 | T | A | 0.0000 | |
| 76 | G | A | -1.3192 | |
| 77 | G | A | -2.0761 | |
| 78 | R | A | -3.2225 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | -1.4285 | |
| 81 | N | A | -0.7030 | |
| 82 | G | A | 0.0000 | |
| 83 | I | A | -0.6286 | |
| 84 | N | A | -1.0288 | |
| 85 | P | A | -1.3507 | |
| 86 | R | A | -2.0070 | |
| 87 | G | A | -1.1059 | |
| 88 | M | A | -0.0640 | |
| 89 | P | A | -0.3796 | |
| 90 | A | A | 0.0000 | |
| 91 | G | A | -0.8929 | |
| 92 | P | A | -1.0055 | |
| 93 | D | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | Q | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | I | A | 0.0000 | |
| 102 | T | A | 0.2591 | |
| 103 | I | A | 0.0307 | |
| 104 | A | A | 0.0000 | |
| 105 | G | A | -1.3815 | |
| 106 | D | A | -1.3077 | |
| 107 | Y | A | -0.2111 | |
| 108 | L | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | G | A | -1.9055 | |
| 115 | S | A | -1.7787 | |
| 116 | N | A | -1.4222 | |
| 117 | T | A | -1.6265 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | 0.0000 | |
| 120 | M | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | A | A | -0.3538 | |
| 123 | I | A | 0.0000 | |
| 124 | D | A | -2.5276 | |
| 125 | K | A | -3.0415 | |
| 126 | H | A | -2.6183 | |
| 127 | D | A | -2.6748 | |
| 128 | P | A | -2.1344 | |
| 129 | T | A | 0.0000 | |
| 130 | K | A | -2.5413 | |
| 131 | V | A | 0.0000 | |
| 132 | T | A | -0.2206 | |
| 133 | V | A | 0.1770 | |
| 134 | V | A | 0.4374 | |
| 135 | G | A | -0.5981 | |
| 136 | E | A | -2.0619 | |
| 137 | P | A | -1.4777 | |
| 138 | A | A | -1.4911 | |
| 139 | E | A | -2.2079 | |
| 140 | L | A | 0.0000 | |
| 141 | P | A | -1.4821 | |
| 142 | G | A | 0.0000 | |
| 143 | E | A | -1.6027 | |
| 144 | F | A | 0.0000 | |
| 145 | P | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | A | A | -0.5719 | |
| 151 | S | A | 0.0000 | |
| 152 | D | A | -2.4202 | |
| 153 | K | A | -2.5858 | |
| 154 | F | A | -1.4647 | |
| 155 | N | A | -1.4218 | |
| 156 | L | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | C | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | A | A | -1.5271 | |
| 165 | K | A | -2.4363 | |
| 166 | A | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | S | A | 0.0000 | |
| 170 | C | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | S | A | -0.3689 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.8711 | |
| 175 | W | A | 1.7219 | |
| 176 | Y | A | 1.6390 | |
| 177 | G | A | 0.0000 | |
| 178 | L | A | -0.0655 | |
| 179 | G | A | -0.0831 | |
| 180 | P | A | -0.8304 | |
| 181 | F | A | -0.9691 | |
| 182 | D | A | -1.5602 | |
| 183 | E | A | -2.2421 | |
| 184 | L | A | 0.0000 | |
| 185 | R | A | 0.0000 | |
| 186 | P | A | -1.3426 | |
| 187 | F | A | 0.0000 | |
| 188 | D | A | -2.4524 | |
| 189 | L | A | 0.0000 | |
| 190 | H | A | -1.8822 | |
| 191 | Q | A | -1.5243 | |
| 192 | T | A | -0.8751 | |
| 193 | T | A | -0.7468 | |
| 194 | P | A | -0.5762 | |
| 195 | P | A | 0.0000 | |
| 196 | H | A | -1.2007 | |
| 197 | G | A | 0.0000 | |
| 198 | P | A | -0.4820 | |
| 199 | T | A | -0.6056 | |
| 200 | N | A | -0.8121 | |
| 201 | T | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | H | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | F | A | 0.0000 | |
| 207 | F | A | 0.0000 | |
| 208 | S | A | -1.3359 | |
| 209 | G | A | -2.0737 | |
| 210 | D | A | -3.0085 | |
| 211 | Q | A | -2.3318 | |
| 212 | E | A | -2.4286 | |
| 213 | T | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | F | A | 0.0000 | |
| 216 | T | A | 0.0000 | |
| 217 | T | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | K | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | D | A | -0.5796 | |
| 222 | P | A | -0.5089 | |
| 223 | A | A | 0.2044 | |
| 224 | V | A | 0.7776 | |
| 225 | N | A | -0.9309 | |
| 226 | N | A | -1.0376 | |
| 227 | T | A | -0.9005 | |
| 228 | G | A | 0.0000 | |
| 229 | F | A | 0.5306 | |
| 230 | L | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | P | A | -1.2077 | |
| 235 | V | A | -0.9266 | |
| 236 | E | A | -1.3125 | |
| 237 | H | A | -0.4739 | |
| 238 | I | A | 0.9626 | |
| 239 | H | A | -0.0438 | |
| 240 | S | A | 0.2973 | |
| 241 | S | A | 0.3483 | |
| 242 | C | A | 1.0039 | |
| 243 | Y | A | 1.4754 | |
| 244 | A | A | 0.5282 | |
| 245 | T | A | 0.2617 | |
| 246 | P | A | -0.5070 | |
| 247 | S | A | -0.3720 | |
| 248 | V | A | 0.0000 | |
| 249 | S | A | -1.0802 | |
| 250 | H | A | -1.9594 | |
| 251 | K | A | -1.7816 | |
| 252 | G | A | -0.6071 | |
| 253 | V | A | 0.3870 | |
| 254 | I | A | 1.7108 | |
| 255 | S | A | 0.0000 | |
| 256 | S | A | -0.4640 | |
| 257 | P | A | 0.0000 | |
| 258 | E | A | -2.1416 | |
| 259 | G | A | -1.6147 | |
| 260 | T | A | 0.0000 | |
| 261 | A | A | -0.8293 | |
| 262 | V | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | S | A | 0.0000 | |
| 267 | T | A | -0.1033 | |
| 268 | P | A | -0.7766 | |
| 269 | I | A | 0.0000 | |
| 270 | P | A | -1.4849 | |
| 271 | D | A | -2.2417 | |
| 272 | T | A | -1.3811 | |
| 273 | T | A | -1.2366 | |
| 274 | N | A | -0.8185 | |
| 275 | L | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | D | A | 0.0000 | |
| 280 | A | A | -0.2552 | |
| 281 | S | A | -0.3491 | |
| 282 | F | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | G | A | -0.4916 | |
| 289 | I | A | 0.0000 | |
| 290 | E | A | -3.1780 | |
| 291 | D | A | -2.9266 | |
| 292 | Y | A | -1.4292 | |
| 293 | E | A | -2.2793 | |
| 294 | A | A | -1.2682 | |
| 295 | S | A | -0.9655 | |
| 296 | T | A | -0.2800 | |
| 297 | L | A | 0.7320 | |
| 298 | Y | A | 0.2773 | |
| 299 | K | A | -0.7958 | |
| 300 | T | A | 0.0393 | |
| 301 | V | A | 1.1829 | |
| 302 | I | A | 0.0000 | |
| 303 | P | A | -0.2616 | |
| 304 | G | A | -0.8695 | |
| 305 | Q | A | -1.2378 | |
| 306 | D | A | -2.1735 | |
| 307 | A | A | -1.0732 | |
| 308 | T | A | 0.0000 | |
| 309 | C | A | 0.0000 | |
| 310 | W | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | I | A | -0.0667 | |
| 314 | C | A | 0.0000 | |
| 315 | P | A | -0.2319 | |
| 316 | A | A | 0.1954 | |
| 317 | T | A | -0.1447 | |
| 318 | H | A | -0.9960 | |
| 319 | T | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | F | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | D | A | 0.0000 | |
| 325 | I | A | -0.4150 | |
| 326 | R | A | -1.1248 | |
| 327 | M | A | -0.9112 | |
| 328 | N | A | 0.0000 | |
| 329 | R | A | -1.0394 | |
| 330 | L | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | E | A | 0.0000 | |
| 333 | M | A | 0.0000 | |
| 334 | S | A | -0.5378 | |
| 335 | L | A | 0.0000 | |
| 336 | A | A | -0.3765 | |
| 337 | N | A | -0.7295 | |
| 338 | A | A | 0.0000 | |
| 339 | E | A | -1.1936 | |
| 340 | I | A | -0.3046 | |
| 341 | I | A | -0.1852 | |
| 342 | G | A | -1.1116 | |
| 343 | E | A | -2.1699 | |
| 344 | P | A | -1.5441 | |
| 345 | I | A | 0.0000 | |
| 346 | D | A | -2.3156 | |
| 347 | L | A | 0.0000 | |
| 348 | T | A | -0.7636 | |
| 349 | T | A | -0.2846 | |
| 350 | F | A | 0.0900 | |
| 351 | S | A | 0.0000 | |
| 352 | N | A | -1.2986 | |
| 353 | D | A | 0.0000 | |
| 354 | P | A | -0.7560 | |
| 355 | G | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | T | A | 0.0000 | |
| 358 | E | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | R | A | -0.1706 | |
| 361 | S | A | 0.1244 | |
| 362 | G | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | S | A | 0.3368 | |
| 365 | F | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | Y | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | S | A | 0.0000 | |
| 371 | P | A | 0.0000 | |
| 372 | G | A | 0.0000 | |
| 373 | N | A | -1.6342 | |
| 374 | G | A | -1.6256 | |
| 375 | T | A | -0.9473 | |
| 376 | T | A | -1.5441 | |
| 377 | E | A | -2.1699 | |
| 378 | A | A | 0.0000 | |
| 379 | W | A | -0.2725 | |
| 380 | I | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | N | A | -0.4890 | |
| 385 | A | A | 0.0000 | |
| 386 | L | A | 0.9538 | |
| 387 | T | A | -0.1832 | |
| 388 | K | A | -1.3806 | |
| 389 | K | A | -1.7837 | |
| 390 | P | A | -0.8030 | |
| 391 | V | A | -0.0170 | |
| 392 | Q | A | 0.0137 | |
| 393 | H | A | 0.1686 | |
| 394 | A | A | 0.0000 | |
| 395 | L | A | 0.3019 | |
| 396 | L | A | 0.0000 | |
| 397 | T | A | -0.8278 | |
| 398 | P | A | -0.4230 | |
| 399 | L | A | -0.3201 | |
| 400 | G | A | -0.6955 | |
| 401 | L | A | 0.0000 | |
| 402 | D | A | -2.1804 | |
| 403 | R | A | -2.3827 | |
| 404 | N | A | -1.5189 | |
| 405 | A | A | 0.0000 | |
| 406 | M | A | 0.0000 | |
| 407 | G | A | 0.0000 | |
| 408 | M | A | 0.0000 | |
| 409 | A | A | 0.0000 | |
| 410 | I | A | 0.5787 | |
| 411 | L | A | 0.7762 | |
| 412 | V | A | 1.9033 |
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