| Chain sequence(s) |
A: TTAAPLTAFLLSLTSADSLDAYERDPQAVLRASALSPAEQHAVRQGLRGWLRLQSLRELEAAGLAAKVSDQLPPDVVAIDPITINTNNFNANSITIETHVDVHSTTIDTTHITTTDATTTTTNSSDWRDRLTLNIDDAIRHFERTDWDSPGRLVVVGSGIRPISDLTLGARDQIIAADVVVYCVADPITELQIHELNPNAHSLYGLYGNGKPRIDTYREMVEAMLTPLREGKRVCAVFYGHPGIFAWATHESIRQARAAGLRAEMAPAISSQDSLFADLGIDPSSAGLQTVDATDLLIRRRQLNPTMHVLIWQAECVGDDGFNFAGYERHNFPILIEYLQQTYPSDHTVVIYDASTYPHLPPTIRSTTLDVVDAQDLSGISTLYLPPAFRADIDQDMLHRLGLE
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 (00:03:18)
[INFO] Main: Simulation completed successfully. (00:03:21)
|
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 | T | A | -0.1065 | |
| 2 | T | A | -0.1211 | |
| 3 | A | A | -0.0782 | |
| 4 | A | A | 0.0000 | |
| 5 | P | A | -0.0755 | |
| 6 | L | A | 0.0000 | |
| 7 | T | A | 0.0000 | |
| 8 | A | A | 0.0897 | |
| 9 | F | A | 0.2354 | |
| 10 | L | A | 0.0000 | |
| 11 | L | A | 0.1962 | |
| 12 | S | A | -0.1504 | |
| 13 | L | A | 0.0000 | |
| 14 | T | A | -0.3336 | |
| 15 | S | A | -0.8045 | |
| 16 | A | A | -1.2179 | |
| 17 | D | A | -2.4284 | |
| 18 | S | A | -1.6667 | |
| 19 | L | A | -1.9538 | |
| 20 | D | A | -3.2292 | |
| 21 | A | A | -2.5201 | |
| 22 | Y | A | 0.0000 | |
| 23 | E | A | -3.7669 | |
| 24 | R | A | -3.7154 | |
| 25 | D | A | -3.0090 | |
| 26 | P | A | -2.6077 | |
| 27 | Q | A | -2.2452 | |
| 28 | A | A | -1.4136 | |
| 29 | V | A | -1.1823 | |
| 30 | L | A | 0.0000 | |
| 31 | R | A | -1.9961 | |
| 32 | A | A | -0.8174 | |
| 33 | S | A | -0.5755 | |
| 34 | A | A | -0.3395 | |
| 35 | L | A | 0.0000 | |
| 36 | S | A | -0.5440 | |
| 37 | P | A | -0.7060 | |
| 38 | A | A | -0.4888 | |
| 39 | E | A | 0.0000 | |
| 40 | Q | A | -1.5114 | |
| 41 | H | A | -1.4058 | |
| 42 | A | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | R | A | -2.3749 | |
| 45 | Q | A | -1.9949 | |
| 46 | G | A | -1.0606 | |
| 47 | L | A | -0.2649 | |
| 48 | R | A | -0.3925 | |
| 49 | G | A | 0.1002 | |
| 50 | W | A | 0.6616 | |
| 51 | L | A | 0.0000 | |
| 52 | R | A | 0.0000 | |
| 53 | L | A | -0.1495 | |
| 54 | Q | A | -0.6359 | |
| 55 | S | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | R | A | -2.2417 | |
| 58 | E | A | -1.0371 | |
| 59 | L | A | 0.0000 | |
| 60 | E | A | 0.0000 | |
| 61 | A | A | -0.7555 | |
| 62 | A | A | -0.3328 | |
| 63 | G | A | -0.6941 | |
| 64 | L | A | -0.3644 | |
| 65 | A | A | -0.7882 | |
| 66 | A | A | -1.1066 | |
| 67 | K | A | -2.5723 | |
| 68 | V | A | 0.0000 | |
| 69 | S | A | 0.0000 | |
| 70 | D | A | -2.9349 | |
| 71 | Q | A | -2.5473 | |
| 72 | L | A | -1.3285 | |
| 73 | P | A | -1.0353 | |
| 74 | P | A | -1.2223 | |
| 75 | D | A | -1.2831 | |
| 76 | V | A | 0.3600 | |
| 77 | V | A | 1.5056 | |
| 78 | A | A | 0.7299 | |
| 79 | I | A | 0.0000 | |
| 80 | D | A | -0.7333 | |
| 81 | P | A | -0.3695 | |
| 82 | I | A | 0.0000 | |
| 83 | T | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | N | A | 0.0000 | |
| 86 | T | A | 0.1553 | |
| 87 | N | A | 0.0000 | |
| 88 | N | A | -0.8752 | |
| 89 | F | A | -0.5691 | |
| 90 | N | A | -1.5769 | |
| 91 | A | A | -0.8427 | |
| 92 | N | A | -1.1434 | |
| 93 | S | A | 0.1990 | |
| 94 | I | A | 1.8764 | |
| 95 | T | A | 1.1514 | |
| 96 | I | A | 1.5049 | |
| 97 | E | A | -0.7000 | |
| 98 | T | A | -0.5783 | |
| 99 | H | A | -0.6607 | |
| 100 | V | A | 0.5603 | |
| 101 | D | A | -0.6166 | |
| 102 | V | A | 0.7380 | |
| 103 | H | A | -0.5084 | |
| 104 | S | A | -0.2432 | |
| 105 | T | A | 0.2027 | |
| 106 | T | A | 0.2774 | |
| 107 | I | A | 1.0635 | |
| 108 | D | A | -0.9948 | |
| 109 | T | A | -0.8539 | |
| 110 | T | A | -0.5228 | |
| 111 | H | A | -0.2568 | |
| 112 | I | A | 1.4558 | |
| 113 | T | A | 0.5837 | |
| 114 | T | A | -0.1457 | |
| 115 | T | A | -0.9801 | |
| 116 | D | A | -1.8365 | |
| 117 | A | A | -0.9159 | |
| 118 | T | A | -0.5546 | |
| 119 | T | A | -0.3846 | |
| 120 | T | A | -0.3390 | |
| 121 | T | A | -0.5520 | |
| 122 | T | A | -0.9150 | |
| 123 | N | A | -1.5850 | |
| 124 | S | A | -1.5368 | |
| 125 | S | A | -1.4252 | |
| 126 | D | A | -1.5770 | |
| 127 | W | A | -0.4430 | |
| 128 | R | A | -1.9636 | |
| 129 | D | A | -1.6079 | |
| 130 | R | A | -1.2285 | |
| 131 | L | A | -0.1017 | |
| 132 | T | A | -0.0999 | |
| 133 | L | A | 0.3639 | |
| 134 | N | A | -0.7339 | |
| 135 | I | A | 0.8356 | |
| 136 | D | A | -0.3849 | |
| 137 | D | A | -0.9581 | |
| 138 | A | A | -0.1755 | |
| 139 | I | A | 0.2693 | |
| 140 | R | A | -1.9092 | |
| 141 | H | A | 0.0000 | |
| 142 | F | A | 0.4236 | |
| 143 | E | A | -1.8772 | |
| 144 | R | A | -1.9463 | |
| 145 | T | A | -1.5572 | |
| 146 | D | A | -2.6100 | |
| 147 | W | A | -1.8563 | |
| 148 | D | A | -2.2196 | |
| 149 | S | A | -1.9153 | |
| 150 | P | A | -1.4722 | |
| 151 | G | A | 0.0000 | |
| 152 | R | A | -1.4267 | |
| 153 | L | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | R | A | -0.8075 | |
| 162 | P | A | 0.0000 | |
| 163 | I | A | -0.2363 | |
| 164 | S | A | -0.4790 | |
| 165 | D | A | -0.1665 | |
| 166 | L | A | 0.0000 | |
| 167 | T | A | 0.2369 | |
| 168 | L | A | 0.7030 | |
| 169 | G | A | -0.4398 | |
| 170 | A | A | 0.0000 | |
| 171 | R | A | -0.3613 | |
| 172 | D | A | -1.1269 | |
| 173 | Q | A | -0.7327 | |
| 174 | I | A | 0.0000 | |
| 175 | I | A | 0.4909 | |
| 176 | A | A | -0.1918 | |
| 177 | A | A | 0.0000 | |
| 178 | D | A | -2.1906 | |
| 179 | V | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | Y | A | 0.0000 | |
| 183 | C | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | A | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | P | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | T | A | 0.0000 | |
| 190 | E | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | Q | A | -0.7396 | |
| 193 | I | A | 0.0000 | |
| 194 | H | A | -1.0204 | |
| 195 | E | A | -1.7230 | |
| 196 | L | A | -0.5718 | |
| 197 | N | A | 0.0000 | |
| 198 | P | A | -1.0859 | |
| 199 | N | A | -1.4414 | |
| 200 | A | A | -1.1575 | |
| 201 | H | A | -0.8366 | |
| 202 | S | A | -0.4396 | |
| 203 | L | A | 0.0000 | |
| 204 | Y | A | -0.2004 | |
| 205 | G | A | -0.5279 | |
| 206 | L | A | -0.5397 | |
| 207 | Y | A | 0.0000 | |
| 208 | G | A | -1.2720 | |
| 209 | N | A | -1.6806 | |
| 210 | G | A | -1.4591 | |
| 211 | K | A | -1.6096 | |
| 212 | P | A | -1.4754 | |
| 213 | R | A | 0.0000 | |
| 214 | I | A | -1.4300 | |
| 215 | D | A | -2.6415 | |
| 216 | T | A | 0.0000 | |
| 217 | Y | A | 0.0000 | |
| 218 | R | A | -2.9690 | |
| 219 | E | A | -2.7923 | |
| 220 | M | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | E | A | -1.7800 | |
| 223 | A | A | -1.0589 | |
| 224 | M | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | T | A | -1.3794 | |
| 227 | P | A | -1.9618 | |
| 228 | L | A | 0.0000 | |
| 229 | R | A | -2.8065 | |
| 230 | E | A | -3.0018 | |
| 231 | G | A | -2.5345 | |
| 232 | K | A | -2.5567 | |
| 233 | R | A | -2.2409 | |
| 234 | V | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | F | A | 0.0000 | |
| 239 | Y | A | 0.1964 | |
| 240 | G | A | 0.0000 | |
| 241 | H | A | 0.0515 | |
| 242 | P | A | 0.0000 | |
| 243 | G | A | 0.0478 | |
| 244 | I | A | 0.5749 | |
| 245 | F | A | 0.5470 | |
| 246 | A | A | 0.0000 | |
| 247 | W | A | -0.0153 | |
| 248 | A | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | H | A | -1.0358 | |
| 251 | E | A | -1.1129 | |
| 252 | S | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | R | A | -1.5827 | |
| 255 | Q | A | -0.9579 | |
| 256 | A | A | 0.0000 | |
| 257 | R | A | -1.2491 | |
| 258 | A | A | -0.6624 | |
| 259 | A | A | -0.4603 | |
| 260 | G | A | -0.6124 | |
| 261 | L | A | -1.0882 | |
| 262 | R | A | -1.1753 | |
| 263 | A | A | 0.0000 | |
| 264 | E | A | -0.3097 | |
| 265 | M | A | -0.0965 | |
| 266 | A | A | -0.1843 | |
| 267 | P | A | -0.1415 | |
| 268 | A | A | -0.0082 | |
| 269 | I | A | 0.0783 | |
| 270 | S | A | 0.0000 | |
| 271 | S | A | -0.3398 | |
| 272 | Q | A | -0.6620 | |
| 273 | D | A | -1.1997 | |
| 274 | S | A | -0.9520 | |
| 275 | L | A | 0.0000 | |
| 276 | F | A | -0.9322 | |
| 277 | A | A | -0.9949 | |
| 278 | D | A | -1.1338 | |
| 279 | L | A | -0.3412 | |
| 280 | G | A | -0.8742 | |
| 281 | I | A | -1.0709 | |
| 282 | D | A | -1.8142 | |
| 283 | P | A | -0.9861 | |
| 284 | S | A | -0.8658 | |
| 285 | S | A | -0.8022 | |
| 286 | A | A | -0.5214 | |
| 287 | G | A | -0.4574 | |
| 288 | L | A | -0.1828 | |
| 289 | Q | A | -0.2788 | |
| 290 | T | A | -0.0063 | |
| 291 | V | A | -0.0693 | |
| 292 | D | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | T | A | 0.0000 | |
| 295 | D | A | -0.8604 | |
| 296 | L | A | 0.0000 | |
| 297 | L | A | -0.7990 | |
| 298 | I | A | -0.5302 | |
| 299 | R | A | -2.6891 | |
| 300 | R | A | -3.2347 | |
| 301 | R | A | -3.1187 | |
| 302 | Q | A | -2.7604 | |
| 303 | L | A | 0.0000 | |
| 304 | N | A | -0.7640 | |
| 305 | P | A | -0.2340 | |
| 306 | T | A | -0.2457 | |
| 307 | M | A | -0.0860 | |
| 308 | H | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | W | A | 0.0000 | |
| 313 | Q | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | E | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | G | A | -0.9049 | |
| 319 | D | A | -1.8002 | |
| 320 | D | A | -1.5463 | |
| 321 | G | A | -1.5279 | |
| 322 | F | A | 0.0000 | |
| 323 | N | A | -1.6029 | |
| 324 | F | A | 0.0000 | |
| 325 | A | A | -0.7849 | |
| 326 | G | A | -0.9938 | |
| 327 | Y | A | -1.4710 | |
| 328 | E | A | -2.6793 | |
| 329 | R | A | -2.3867 | |
| 330 | H | A | -1.9739 | |
| 331 | N | A | -1.1638 | |
| 332 | F | A | 0.0000 | |
| 333 | P | A | -0.5636 | |
| 334 | I | A | 0.3739 | |
| 335 | L | A | 0.0000 | |
| 336 | I | A | 0.0000 | |
| 337 | E | A | -1.9212 | |
| 338 | Y | A | -1.0450 | |
| 339 | L | A | 0.0000 | |
| 340 | Q | A | -1.9784 | |
| 341 | Q | A | -1.9078 | |
| 342 | T | A | -1.2245 | |
| 343 | Y | A | 0.0000 | |
| 344 | P | A | -1.3434 | |
| 345 | S | A | -1.9384 | |
| 346 | D | A | -2.1751 | |
| 347 | H | A | 0.0000 | |
| 348 | T | A | -0.5888 | |
| 349 | V | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | Y | A | 0.0000 | |
| 353 | D | A | -0.0269 | |
| 354 | A | A | 0.0000 | |
| 355 | S | A | -0.5154 | |
| 356 | T | A | 0.0000 | |
| 357 | Y | A | 0.0000 | |
| 358 | P | A | 0.0000 | |
| 359 | H | A | -0.7932 | |
| 360 | L | A | -0.4176 | |
| 361 | P | A | -0.2596 | |
| 362 | P | A | -0.3048 | |
| 363 | T | A | -0.0020 | |
| 364 | I | A | 0.3497 | |
| 365 | R | A | -0.7370 | |
| 366 | S | A | -0.4668 | |
| 367 | T | A | -0.4890 | |
| 368 | T | A | -0.7747 | |
| 369 | L | A | 0.0000 | |
| 370 | D | A | -1.8718 | |
| 371 | V | A | 0.4406 | |
| 372 | V | A | -0.3969 | |
| 373 | D | A | -1.3530 | |
| 374 | A | A | -1.8462 | |
| 375 | Q | A | -2.0303 | |
| 376 | D | A | -1.5204 | |
| 377 | L | A | 0.0000 | |
| 378 | S | A | -0.5218 | |
| 379 | G | A | -0.1958 | |
| 380 | I | A | 0.1581 | |
| 381 | S | A | 0.0000 | |
| 382 | T | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | Y | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | P | A | 0.2432 | |
| 387 | P | A | 0.0907 | |
| 388 | A | A | 0.4090 | |
| 389 | F | A | 0.6922 | |
| 390 | R | A | -1.1116 | |
| 391 | A | A | -1.0578 | |
| 392 | D | A | -1.6447 | |
| 393 | I | A | -0.4152 | |
| 394 | D | A | -2.5003 | |
| 395 | Q | A | -2.8235 | |
| 396 | D | A | -3.0937 | |
| 397 | M | A | -1.5547 | |
| 398 | L | A | -1.3538 | |
| 399 | H | A | -2.6449 | |
| 400 | R | A | -2.4703 | |
| 401 | L | A | -0.2544 | |
| 402 | G | A | -0.6895 | |
| 403 | L | A | 0.2435 | |
| 404 | E | A | -1.6032 |
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