| Chain sequence(s) |
A: SCSKLPSSVTLTSNEKLVDLFTHFNGTKVTTKEEFACRQAELSELIQRYELGTLPGRPSTLTASFSGNTLTINCGENGKSISFTVTITYPSSGTAPYPAIIGFGGGSLPQPDGVALINFNNDEIAKQTSASSRGQGKFYDLYGSSHSAGAMTAWAWGVSRVIDALELTPAANIDTTKIGVTGCSRNGKGALVAGAFEKRIVLTIPQESGMGGSACWRISDYLKSQGYNIQTASEIVGEYPWFSTTFNSYVNKVELLPFDHHHLAALIAPRGLLVIDNVIDWLGPQSCYGCMEAARRAWQALGVPDNMGYSQIGSHEHCAFPSSQQPYLTAFVNKFLLGQSVNTAIFESDFSANTSQWIDWTTPTLS
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 (00:05:29)
[INFO] Main: Simulation completed successfully. (00:05:32)
|
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 | S | A | -0.5373 | |
| 2 | C | A | -0.5391 | |
| 3 | S | A | -1.1235 | |
| 4 | K | A | -1.8674 | |
| 5 | L | A | 0.0000 | |
| 6 | P | A | -0.9065 | |
| 7 | S | A | -0.6508 | |
| 8 | S | A | -0.2523 | |
| 9 | V | A | 0.0160 | |
| 10 | T | A | 0.2088 | |
| 11 | L | A | 0.2418 | |
| 12 | T | A | -0.1473 | |
| 13 | S | A | -1.0884 | |
| 14 | N | A | -1.7334 | |
| 15 | E | A | -2.5678 | |
| 16 | K | A | -2.1326 | |
| 17 | L | A | 0.0000 | |
| 18 | V | A | -0.6973 | |
| 19 | D | A | -0.6923 | |
| 20 | L | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | T | A | -1.0895 | |
| 23 | H | A | -1.0526 | |
| 24 | F | A | -0.4468 | |
| 25 | N | A | -1.5029 | |
| 26 | G | A | -1.3924 | |
| 27 | T | A | -1.4792 | |
| 28 | K | A | -2.1138 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | -1.2011 | |
| 31 | T | A | -1.5905 | |
| 32 | K | A | -2.0690 | |
| 33 | E | A | -2.5502 | |
| 34 | E | A | -2.0404 | |
| 35 | F | A | 0.0000 | |
| 36 | A | A | -1.0043 | |
| 37 | C | A | -0.8845 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.4673 | |
| 40 | A | A | -0.3633 | |
| 41 | E | A | -0.5358 | |
| 42 | L | A | 0.0000 | |
| 43 | S | A | -0.3174 | |
| 44 | E | A | -0.7458 | |
| 45 | L | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | Q | A | -0.4857 | |
| 48 | R | A | -0.5776 | |
| 49 | Y | A | -0.3512 | |
| 50 | E | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | T | A | -0.2353 | |
| 54 | L | A | -0.1537 | |
| 55 | P | A | -0.5234 | |
| 56 | G | A | -1.3339 | |
| 57 | R | A | -2.1121 | |
| 58 | P | A | 0.0000 | |
| 59 | S | A | -1.0550 | |
| 60 | T | A | -0.9229 | |
| 61 | L | A | -0.2337 | |
| 62 | T | A | 0.1137 | |
| 63 | A | A | 0.0171 | |
| 64 | S | A | 0.0567 | |
| 65 | F | A | -0.1460 | |
| 66 | S | A | -0.5598 | |
| 67 | G | A | -0.9256 | |
| 68 | N | A | -1.0751 | |
| 69 | T | A | -0.7031 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.1850 | |
| 72 | I | A | 0.0000 | |
| 73 | N | A | -0.5314 | |
| 74 | C | A | 0.0000 | |
| 75 | G | A | -1.4975 | |
| 76 | E | A | -1.8956 | |
| 77 | N | A | -2.2002 | |
| 78 | G | A | -2.0657 | |
| 79 | K | A | -2.8317 | |
| 80 | S | A | -1.8433 | |
| 81 | I | A | 0.0000 | |
| 82 | S | A | -0.4017 | |
| 83 | F | A | 0.0000 | |
| 84 | T | A | -0.5948 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.7510 | |
| 87 | I | A | 0.0000 | |
| 88 | T | A | -0.2072 | |
| 89 | Y | A | -0.1678 | |
| 90 | P | A | -0.5768 | |
| 91 | S | A | -0.6383 | |
| 92 | S | A | -0.8601 | |
| 93 | G | A | -0.8200 | |
| 94 | T | A | -0.4538 | |
| 95 | A | A | -0.4727 | |
| 96 | P | A | -0.7925 | |
| 97 | Y | A | -0.3416 | |
| 98 | P | A | -0.3250 | |
| 99 | A | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | I | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | G | A | -1.4808 | |
| 105 | G | A | -0.9696 | |
| 106 | G | A | -0.5633 | |
| 107 | S | A | -0.2248 | |
| 108 | L | A | -0.0495 | |
| 109 | P | A | -0.5463 | |
| 110 | Q | A | -0.9423 | |
| 111 | P | A | -1.2316 | |
| 112 | D | A | -2.0373 | |
| 113 | G | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | L | A | -0.0743 | |
| 117 | I | A | 0.0000 | |
| 118 | N | A | -1.3202 | |
| 119 | F | A | 0.0000 | |
| 120 | N | A | -2.4778 | |
| 121 | N | A | 0.0000 | |
| 122 | D | A | -2.6966 | |
| 123 | E | A | -2.6038 | |
| 124 | I | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | K | A | -2.0347 | |
| 127 | Q | A | -1.3484 | |
| 128 | T | A | -0.6208 | |
| 129 | S | A | -0.4997 | |
| 130 | A | A | -0.4821 | |
| 131 | S | A | -0.6943 | |
| 132 | S | A | 0.0000 | |
| 133 | R | A | -1.1470 | |
| 134 | G | A | 0.0000 | |
| 135 | Q | A | -1.9819 | |
| 136 | G | A | -2.0369 | |
| 137 | K | A | -1.8056 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | D | A | -2.4515 | |
| 141 | L | A | 0.0000 | |
| 142 | Y | A | -1.0798 | |
| 143 | G | A | -1.2037 | |
| 144 | S | A | -1.1776 | |
| 145 | S | A | -0.6501 | |
| 146 | H | A | -0.4982 | |
| 147 | S | A | -0.3736 | |
| 148 | A | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | M | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | W | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | W | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | S | A | -0.6691 | |
| 160 | R | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | D | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | E | A | -1.1926 | |
| 167 | L | A | 0.6010 | |
| 168 | T | A | 0.0000 | |
| 169 | P | A | -0.5914 | |
| 170 | A | A | -0.3207 | |
| 171 | A | A | 0.0000 | |
| 172 | N | A | -0.9375 | |
| 173 | I | A | 0.0000 | |
| 174 | D | A | -1.0703 | |
| 175 | T | A | -1.0583 | |
| 176 | T | A | -0.7023 | |
| 177 | K | A | -0.5975 | |
| 178 | I | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | C | A | 0.0000 | |
| 184 | S | A | -0.9763 | |
| 185 | R | A | -1.7058 | |
| 186 | N | A | -1.2389 | |
| 187 | G | A | 0.0000 | |
| 188 | K | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | F | A | -0.2713 | |
| 197 | E | A | 0.0000 | |
| 198 | K | A | -1.9104 | |
| 199 | R | A | -1.4284 | |
| 200 | I | A | 0.0000 | |
| 201 | V | A | -0.3432 | |
| 202 | L | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | P | A | 0.0000 | |
| 206 | Q | A | 0.0000 | |
| 207 | E | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | M | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | C | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | R | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | D | A | -1.8880 | |
| 221 | Y | A | -0.9369 | |
| 222 | L | A | -1.0787 | |
| 223 | K | A | -1.7027 | |
| 224 | S | A | -1.4515 | |
| 225 | Q | A | -1.7900 | |
| 226 | G | A | -1.3405 | |
| 227 | Y | A | -1.2932 | |
| 228 | N | A | -1.6310 | |
| 229 | I | A | 0.0000 | |
| 230 | Q | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | S | A | -1.3742 | |
| 234 | E | A | -1.0915 | |
| 235 | I | A | 0.0000 | |
| 236 | V | A | -0.5519 | |
| 237 | G | A | -0.9489 | |
| 238 | E | A | -0.7728 | |
| 239 | Y | A | -0.4337 | |
| 240 | P | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | T | A | -0.6040 | |
| 245 | T | A | -0.5588 | |
| 246 | F | A | 0.0000 | |
| 247 | N | A | -1.5553 | |
| 248 | S | A | -1.0172 | |
| 249 | Y | A | -0.8306 | |
| 250 | V | A | -1.2855 | |
| 251 | N | A | -1.9813 | |
| 252 | K | A | -1.6800 | |
| 253 | V | A | 0.0000 | |
| 254 | E | A | -1.9306 | |
| 255 | L | A | -0.6356 | |
| 256 | L | A | 0.0000 | |
| 257 | P | A | 0.0506 | |
| 258 | F | A | 0.0000 | |
| 259 | D | A | 0.0000 | |
| 260 | H | A | 0.0000 | |
| 261 | H | A | 0.0000 | |
| 262 | H | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | P | A | -0.5028 | |
| 270 | R | A | -0.5172 | |
| 271 | G | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | D | A | 0.0000 | |
| 277 | N | A | 0.0000 | |
| 278 | V | A | -0.2234 | |
| 279 | I | A | -0.3588 | |
| 280 | D | A | -0.9731 | |
| 281 | W | A | -0.1793 | |
| 282 | L | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | Q | A | -0.5913 | |
| 286 | S | A | 0.0000 | |
| 287 | C | A | 0.0000 | |
| 288 | Y | A | -0.3889 | |
| 289 | G | A | 0.0000 | |
| 290 | C | A | 0.0000 | |
| 291 | M | A | 0.0000 | |
| 292 | E | A | -0.7412 | |
| 293 | A | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | R | A | -1.0144 | |
| 296 | R | A | -1.1752 | |
| 297 | A | A | 0.0000 | |
| 298 | W | A | 0.0000 | |
| 299 | Q | A | -1.6183 | |
| 300 | A | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.8821 | |
| 303 | V | A | -0.5387 | |
| 304 | P | A | -0.9453 | |
| 305 | D | A | -1.0587 | |
| 306 | N | A | -0.8195 | |
| 307 | M | A | 0.0000 | |
| 308 | G | A | 0.0000 | |
| 309 | Y | A | 0.0000 | |
| 310 | S | A | 0.0000 | |
| 311 | Q | A | 0.0000 | |
| 312 | I | A | -0.0314 | |
| 313 | G | A | -0.3044 | |
| 314 | S | A | -0.6592 | |
| 315 | H | A | -1.0735 | |
| 316 | E | A | -2.0675 | |
| 317 | H | A | -1.3657 | |
| 318 | C | A | -0.5890 | |
| 319 | A | A | -0.6247 | |
| 320 | F | A | -0.1961 | |
| 321 | P | A | -0.3720 | |
| 322 | S | A | -0.4334 | |
| 323 | S | A | -0.3523 | |
| 324 | Q | A | 0.0000 | |
| 325 | Q | A | -0.5694 | |
| 326 | P | A | -0.4320 | |
| 327 | Y | A | -0.2551 | |
| 328 | L | A | 0.0000 | |
| 329 | T | A | -0.4622 | |
| 330 | A | A | -0.4089 | |
| 331 | F | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | N | A | -0.7419 | |
| 334 | K | A | -0.7730 | |
| 335 | F | A | -0.1922 | |
| 336 | L | A | 0.0000 | |
| 337 | L | A | -0.3295 | |
| 338 | G | A | -0.7480 | |
| 339 | Q | A | -1.1541 | |
| 340 | S | A | -0.7687 | |
| 341 | V | A | -0.5780 | |
| 342 | N | A | -1.2996 | |
| 343 | T | A | 0.0000 | |
| 344 | A | A | -0.4762 | |
| 345 | I | A | 0.0000 | |
| 346 | F | A | -0.1130 | |
| 347 | E | A | -0.5927 | |
| 348 | S | A | -0.7668 | |
| 349 | D | A | -1.5819 | |
| 350 | F | A | -0.6177 | |
| 351 | S | A | -0.6810 | |
| 352 | A | A | -0.7480 | |
| 353 | N | A | -1.0081 | |
| 354 | T | A | -1.0411 | |
| 355 | S | A | -1.0558 | |
| 356 | Q | A | -1.2888 | |
| 357 | W | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | D | A | -1.9661 | |
| 360 | W | A | -0.8995 | |
| 361 | T | A | -0.5170 | |
| 362 | T | A | -0.4641 | |
| 363 | P | A | -0.5560 | |
| 364 | T | A | -0.5879 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.8829 |
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