| Chain sequence(s) |
A: MGSSHHHHHHSSGENLYFQGAMAIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEARGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDCAENKTFANTLLYSDDALHLLQAKGDHESTAVSLAR
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 (00:05:58)
[INFO] Main: Simulation completed successfully. (00:06:01)
|
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 | 0.7504 | |
| 2 | G | A | -0.2359 | |
| 3 | S | A | -0.6243 | |
| 4 | S | A | -1.1704 | |
| 5 | H | A | -2.0658 | |
| 6 | H | A | -2.4027 | |
| 7 | H | A | -2.6394 | |
| 8 | H | A | -2.6229 | |
| 9 | H | A | -2.4252 | |
| 10 | H | A | -2.0848 | |
| 11 | S | A | -1.5869 | |
| 12 | S | A | -1.6422 | |
| 13 | G | A | -1.7966 | |
| 14 | E | A | -2.1541 | |
| 15 | N | A | -1.0361 | |
| 16 | L | A | 1.1025 | |
| 17 | Y | A | 1.8810 | |
| 18 | F | A | 2.1708 | |
| 19 | Q | A | 0.2156 | |
| 20 | G | A | -0.1139 | |
| 21 | A | A | 0.1243 | |
| 22 | M | A | 0.3980 | |
| 23 | A | A | 0.3535 | |
| 24 | I | A | 0.3604 | |
| 25 | A | A | 0.2523 | |
| 26 | M | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | -0.3548 | |
| 29 | P | A | -1.1822 | |
| 30 | N | A | -2.1233 | |
| 31 | K | A | -2.3497 | |
| 32 | T | A | 0.0000 | |
| 33 | Q | A | -1.9091 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | -1.4716 | |
| 36 | P | A | -1.7977 | |
| 37 | K | A | -1.5450 | |
| 38 | S | A | -1.2904 | |
| 39 | G | A | -1.4133 | |
| 40 | G | A | -1.9667 | |
| 41 | E | A | -2.7377 | |
| 42 | G | A | -2.2909 | |
| 43 | K | A | -2.4878 | |
| 44 | V | A | -1.0830 | |
| 45 | K | A | 0.0000 | |
| 46 | D | A | -1.2791 | |
| 47 | I | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | A | A | -0.1120 | |
| 50 | S | A | 0.0548 | |
| 51 | P | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -0.7112 | |
| 56 | A | A | 0.0000 | |
| 57 | G | A | -1.3908 | |
| 58 | G | A | -1.2129 | |
| 59 | V | A | 0.0000 | |
| 60 | M | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | A | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | E | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | R | A | -0.4030 | |
| 68 | T | A | -0.7125 | |
| 69 | K | A | -1.2562 | |
| 70 | N | A | -1.5227 | |
| 71 | K | A | -1.6220 | |
| 72 | L | A | -0.6733 | |
| 73 | F | A | 0.0000 | |
| 74 | P | A | -1.0290 | |
| 75 | E | A | -1.4320 | |
| 76 | V | A | -0.0392 | |
| 77 | I | A | 0.1343 | |
| 78 | D | A | -1.4462 | |
| 79 | L | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | D | A | -0.8510 | |
| 84 | I | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | K | A | -0.8901 | |
| 91 | A | A | -0.8909 | |
| 92 | P | A | 0.0000 | |
| 93 | E | A | -2.4193 | |
| 94 | T | A | -1.7193 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -1.3236 | |
| 97 | S | A | -1.1163 | |
| 98 | L | A | 0.0000 | |
| 99 | V | A | -0.1092 | |
| 100 | A | A | -0.4725 | |
| 101 | E | A | -0.6533 | |
| 102 | V | A | 0.0000 | |
| 103 | T | A | -0.6633 | |
| 104 | K | A | -1.2739 | |
| 105 | E | A | -1.6070 | |
| 106 | Y | A | -0.0297 | |
| 107 | W | A | -0.4875 | |
| 108 | Q | A | -0.9382 | |
| 109 | A | A | 0.0000 | |
| 110 | H | A | -0.6679 | |
| 111 | T | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -1.8379 | |
| 115 | S | A | -1.3604 | |
| 116 | A | A | -1.3827 | |
| 117 | N | A | -2.4154 | |
| 118 | N | A | -2.5765 | |
| 119 | S | A | -2.2112 | |
| 120 | N | A | -2.2987 | |
| 121 | H | A | -1.6668 | |
| 122 | R | A | -2.5456 | |
| 123 | V | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | R | A | -0.2876 | |
| 128 | L | A | 0.0787 | |
| 129 | P | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | T | A | -1.0577 | |
| 134 | R | A | -1.9130 | |
| 135 | G | A | -1.6951 | |
| 136 | N | A | -1.9369 | |
| 137 | K | A | -2.3491 | |
| 138 | V | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | G | A | 0.0000 | |
| 144 | S | A | -0.5614 | |
| 145 | Y | A | 0.0000 | |
| 146 | E | A | -1.4819 | |
| 147 | E | A | -1.7851 | |
| 148 | R | A | -1.7010 | |
| 149 | R | A | -1.1335 | |
| 150 | E | A | -0.8129 | |
| 151 | I | A | 0.6521 | |
| 152 | D | A | -1.4162 | |
| 153 | D | A | -1.3938 | |
| 154 | Y | A | 0.5191 | |
| 155 | I | A | 0.2767 | |
| 156 | W | A | -0.4875 | |
| 157 | K | A | -1.4616 | |
| 158 | A | A | -1.1391 | |
| 159 | E | A | -1.1720 | |
| 160 | A | A | -0.5799 | |
| 161 | W | A | -0.7155 | |
| 162 | N | A | -1.2202 | |
| 163 | I | A | 0.0000 | |
| 164 | K | A | -0.9941 | |
| 165 | V | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | E | A | -1.7699 | |
| 168 | G | A | 0.0000 | |
| 169 | E | A | -2.4232 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | -1.5013 | |
| 172 | Q | A | -1.7648 | |
| 173 | S | A | -1.2530 | |
| 174 | T | A | -1.0124 | |
| 175 | E | A | -1.6270 | |
| 176 | V | A | 0.3005 | |
| 177 | Q | A | -1.0850 | |
| 178 | P | A | -1.0885 | |
| 179 | T | A | -0.6674 | |
| 180 | Q | A | -0.9110 | |
| 181 | P | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | N | A | -1.8490 | |
| 184 | W | A | -1.5277 | |
| 185 | S | A | -1.6765 | |
| 186 | E | A | -2.1625 | |
| 187 | P | A | -1.4476 | |
| 188 | K | A | -1.5439 | |
| 189 | P | A | -1.1700 | |
| 190 | L | A | 0.0000 | |
| 191 | F | A | -1.7380 | |
| 192 | Q | A | -2.2735 | |
| 193 | T | A | -1.7246 | |
| 194 | D | A | -2.4925 | |
| 195 | S | A | -2.4376 | |
| 196 | P | A | -1.8209 | |
| 197 | N | A | -2.4634 | |
| 198 | N | A | -3.2339 | |
| 199 | K | A | -3.1336 | |
| 200 | G | A | -2.8951 | |
| 201 | D | A | -3.2873 | |
| 202 | L | A | -2.6267 | |
| 203 | K | A | -2.3947 | |
| 204 | E | A | -1.2966 | |
| 205 | F | A | -0.4481 | |
| 206 | L | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | S | A | 0.1425 | |
| 212 | G | A | 0.0000 | |
| 213 | I | A | 0.4017 | |
| 214 | V | A | 0.3021 | |
| 215 | M | A | 0.0000 | |
| 216 | G | A | -1.5706 | |
| 217 | N | A | -1.7559 | |
| 218 | G | A | -1.1354 | |
| 219 | T | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -1.9900 | |
| 228 | D | A | -2.7471 | |
| 229 | E | A | -3.4729 | |
| 230 | S | A | -2.3671 | |
| 231 | N | A | -2.7728 | |
| 232 | K | A | -1.8159 | |
| 233 | V | A | -0.7766 | |
| 234 | F | A | 0.1910 | |
| 235 | S | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | Y | A | -0.5147 | |
| 240 | S | A | 0.0000 | |
| 241 | T | A | -1.5181 | |
| 242 | D | A | -1.9776 | |
| 243 | D | A | -2.4499 | |
| 244 | G | A | 0.0000 | |
| 245 | Q | A | -2.6947 | |
| 246 | K | A | -2.9679 | |
| 247 | W | A | -1.9130 | |
| 248 | E | A | -1.8670 | |
| 249 | I | A | 0.0000 | |
| 250 | P | A | 0.0000 | |
| 251 | G | A | -1.3973 | |
| 252 | G | A | 0.0000 | |
| 253 | V | A | 0.5386 | |
| 254 | S | A | 0.0000 | |
| 255 | S | A | 0.2142 | |
| 256 | V | A | 0.7633 | |
| 257 | A | A | -0.5662 | |
| 258 | C | A | 0.0000 | |
| 259 | R | A | -0.7527 | |
| 260 | S | A | -0.4200 | |
| 261 | P | A | 0.0000 | |
| 262 | R | A | -0.2391 | |
| 263 | V | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | E | A | -0.9279 | |
| 266 | W | A | -1.5336 | |
| 267 | E | A | -2.9309 | |
| 268 | E | A | -3.2518 | |
| 269 | G | A | -2.5016 | |
| 270 | T | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | T | A | 0.0000 | |
| 276 | Y | A | -1.0434 | |
| 277 | C | A | 0.0000 | |
| 278 | E | A | -3.0106 | |
| 279 | D | A | -3.0925 | |
| 280 | G | A | 0.0000 | |
| 281 | R | A | 0.0000 | |
| 282 | K | A | -1.2306 | |
| 283 | V | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | E | A | -1.2005 | |
| 286 | S | A | 0.0000 | |
| 287 | R | A | -3.0148 | |
| 288 | D | A | -2.2229 | |
| 289 | M | A | -1.3262 | |
| 290 | G | A | 0.0000 | |
| 291 | K | A | -2.2259 | |
| 292 | T | A | -1.3680 | |
| 293 | W | A | -0.8291 | |
| 294 | T | A | -0.8135 | |
| 295 | E | A | -1.1359 | |
| 296 | A | A | -1.3723 | |
| 297 | R | A | -2.2751 | |
| 298 | G | A | -1.6273 | |
| 299 | T | A | -1.2873 | |
| 300 | L | A | 0.0000 | |
| 301 | P | A | -1.0262 | |
| 302 | G | A | -0.1482 | |
| 303 | V | A | 0.0000 | |
| 304 | W | A | -0.3646 | |
| 305 | L | A | -0.5669 | |
| 306 | K | A | -2.1370 | |
| 307 | S | A | -2.1557 | |
| 308 | G | A | -1.3196 | |
| 309 | P | A | -1.2063 | |
| 310 | E | A | -1.9167 | |
| 311 | L | A | -1.0950 | |
| 312 | P | A | -1.2210 | |
| 313 | E | A | -1.9894 | |
| 314 | V | A | -0.3048 | |
| 315 | S | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | R | A | -0.5400 | |
| 318 | V | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | I | A | 0.3162 | |
| 323 | T | A | -0.0288 | |
| 324 | A | A | -0.7964 | |
| 325 | T | A | -1.7331 | |
| 326 | I | A | -1.8714 | |
| 327 | E | A | -2.8115 | |
| 328 | G | A | -2.4011 | |
| 329 | R | A | -3.0935 | |
| 330 | K | A | -2.5101 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | Y | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | Q | A | 0.0000 | |
| 337 | K | A | 0.0000 | |
| 338 | V | A | 0.2644 | |
| 339 | R | A | -0.0741 | |
| 340 | H | A | -0.0305 | |
| 341 | F | A | 1.4813 | |
| 342 | L | A | 0.7464 | |
| 343 | E | A | -0.6894 | |
| 344 | V | A | -0.2806 | |
| 345 | D | A | -1.7891 | |
| 346 | E | A | -1.2558 | |
| 347 | P | A | -0.5714 | |
| 348 | N | A | -0.2714 | |
| 349 | A | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | H | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | W | A | 0.5508 | |
| 354 | V | A | 0.3398 | |
| 355 | T | A | 0.0000 | |
| 356 | D | A | -1.7947 | |
| 357 | N | A | -1.8362 | |
| 358 | N | A | -2.5575 | |
| 359 | R | A | -2.3278 | |
| 360 | T | A | -0.6853 | |
| 361 | F | A | 0.9898 | |
| 362 | H | A | 0.4214 | |
| 363 | L | A | 1.0261 | |
| 364 | G | A | 0.8888 | |
| 365 | P | A | 0.8188 | |
| 366 | F | A | 1.0304 | |
| 367 | S | A | 0.6591 | |
| 368 | V | A | 1.2840 | |
| 369 | D | A | 0.0000 | |
| 370 | C | A | -0.4513 | |
| 371 | A | A | -1.0804 | |
| 372 | E | A | -2.5047 | |
| 373 | N | A | -1.8270 | |
| 374 | K | A | -1.4123 | |
| 375 | T | A | 0.0000 | |
| 376 | F | A | -0.2005 | |
| 377 | A | A | 0.0025 | |
| 378 | N | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | L | A | 0.0024 | |
| 382 | Y | A | -0.4419 | |
| 383 | S | A | -1.2218 | |
| 384 | D | A | -2.8772 | |
| 385 | D | A | -2.7025 | |
| 386 | A | A | -1.7900 | |
| 387 | L | A | -0.8155 | |
| 388 | H | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | Q | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | K | A | -1.5077 | |
| 394 | G | A | 0.0000 | |
| 395 | D | A | -2.7661 | |
| 396 | H | A | -2.6957 | |
| 397 | E | A | -2.7039 | |
| 398 | S | A | -2.1942 | |
| 399 | T | A | 0.0000 | |
| 400 | A | A | -0.5589 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | R | A | -1.4918 |
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