| Chain sequence(s) |
A: MKSSHHHHHHGSSMKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTNSSSNNNNNN
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:08)
[INFO] Main: Simulation completed successfully. (00:14:11)
|
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 | 0.1521 | |
| 2 | K | A | -1.4661 | |
| 3 | S | A | -1.2698 | |
| 4 | S | A | -1.5128 | |
| 5 | H | A | -2.2436 | |
| 6 | H | A | -2.4596 | |
| 7 | H | A | -2.6892 | |
| 8 | H | A | -2.7407 | |
| 9 | H | A | -2.5492 | |
| 10 | H | A | -2.2304 | |
| 11 | G | A | -1.4829 | |
| 12 | S | A | -1.1414 | |
| 13 | S | A | -0.9037 | |
| 14 | M | A | -0.9865 | |
| 15 | K | A | -2.3255 | |
| 16 | I | A | -2.0701 | |
| 17 | E | A | -3.2896 | |
| 18 | E | A | -3.2498 | |
| 19 | G | A | -2.0588 | |
| 20 | K | A | -2.2921 | |
| 21 | L | A | 0.0000 | |
| 22 | V | A | -0.2981 | |
| 23 | I | A | 0.0000 | |
| 24 | W | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | N | A | -2.0402 | |
| 27 | G | A | -2.3988 | |
| 28 | D | A | -2.5259 | |
| 29 | K | A | -2.2255 | |
| 30 | G | A | 0.0000 | |
| 31 | Y | A | -1.5868 | |
| 32 | N | A | -2.1141 | |
| 33 | G | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | -1.6312 | |
| 36 | E | A | -2.6752 | |
| 37 | V | A | 0.0000 | |
| 38 | G | A | 0.0000 | |
| 39 | K | A | -3.6938 | |
| 40 | K | A | -3.1968 | |
| 41 | F | A | 0.0000 | |
| 42 | E | A | -3.6681 | |
| 43 | K | A | -3.8380 | |
| 44 | D | A | -3.3404 | |
| 45 | T | A | -2.1452 | |
| 46 | G | A | -2.2816 | |
| 47 | I | A | -2.0835 | |
| 48 | K | A | -2.1724 | |
| 49 | V | A | 0.0000 | |
| 50 | T | A | -0.4960 | |
| 51 | V | A | -0.4296 | |
| 52 | E | A | -1.1475 | |
| 53 | H | A | -2.0633 | |
| 54 | P | A | -2.1034 | |
| 55 | D | A | -3.3816 | |
| 56 | K | A | -3.6572 | |
| 57 | L | A | 0.0000 | |
| 58 | E | A | -2.7429 | |
| 59 | E | A | -3.5870 | |
| 60 | K | A | -2.8859 | |
| 61 | F | A | 0.0000 | |
| 62 | P | A | -1.4918 | |
| 63 | Q | A | -1.8395 | |
| 64 | V | A | -1.0620 | |
| 65 | A | A | 0.0000 | |
| 66 | A | A | -0.4866 | |
| 67 | T | A | -0.5771 | |
| 68 | G | A | -0.6592 | |
| 69 | D | A | -1.1301 | |
| 70 | G | A | 0.0000 | |
| 71 | P | A | 0.0000 | |
| 72 | D | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | W | A | -0.4368 | |
| 77 | A | A | -0.6341 | |
| 78 | H | A | 0.0000 | |
| 79 | D | A | -1.3063 | |
| 80 | R | A | -2.3538 | |
| 81 | F | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | G | A | -1.4170 | |
| 84 | Y | A | 0.0000 | |
| 85 | A | A | -1.6929 | |
| 86 | Q | A | -1.6318 | |
| 87 | S | A | -1.0751 | |
| 88 | G | A | -1.1678 | |
| 89 | L | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | A | A | -1.1936 | |
| 92 | E | A | -2.3351 | |
| 93 | I | A | 0.0000 | |
| 94 | T | A | -1.4375 | |
| 95 | P | A | 0.0000 | |
| 96 | D | A | -2.9069 | |
| 97 | K | A | -3.2199 | |
| 98 | A | A | -2.1870 | |
| 99 | F | A | 0.0000 | |
| 100 | Q | A | -2.4376 | |
| 101 | D | A | -3.0894 | |
| 102 | K | A | -2.2355 | |
| 103 | L | A | 0.0000 | |
| 104 | Y | A | -0.8323 | |
| 105 | P | A | -0.8965 | |
| 106 | F | A | -0.4414 | |
| 107 | T | A | 0.0000 | |
| 108 | W | A | 0.0000 | |
| 109 | D | A | -1.6395 | |
| 110 | A | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | R | A | -2.4341 | |
| 113 | Y | A | -2.1349 | |
| 114 | N | A | -2.3911 | |
| 115 | G | A | -2.2445 | |
| 116 | K | A | -2.7276 | |
| 117 | L | A | -1.7793 | |
| 118 | I | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | Y | A | 0.0000 | |
| 121 | P | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | E | A | -0.7266 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | S | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | Y | A | -0.5035 | |
| 132 | N | A | 0.0000 | |
| 133 | K | A | -2.0250 | |
| 134 | D | A | -2.2852 | |
| 135 | L | A | -1.2505 | |
| 136 | L | A | 0.0000 | |
| 137 | P | A | -1.5892 | |
| 138 | N | A | -1.9334 | |
| 139 | P | A | -1.1815 | |
| 140 | P | A | -1.3690 | |
| 141 | K | A | -2.0865 | |
| 142 | T | A | -1.7822 | |
| 143 | W | A | 0.0000 | |
| 144 | E | A | -1.6521 | |
| 145 | E | A | -1.2764 | |
| 146 | I | A | 0.0000 | |
| 147 | P | A | -1.4712 | |
| 148 | A | A | -1.1850 | |
| 149 | L | A | -1.4244 | |
| 150 | D | A | 0.0000 | |
| 151 | K | A | -3.5498 | |
| 152 | E | A | -3.5329 | |
| 153 | L | A | 0.0000 | |
| 154 | K | A | -3.6767 | |
| 155 | A | A | -2.7781 | |
| 156 | K | A | -3.2116 | |
| 157 | G | A | -2.8426 | |
| 158 | K | A | -2.9139 | |
| 159 | S | A | -2.0274 | |
| 160 | A | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | M | A | -0.1187 | |
| 163 | F | A | 0.0000 | |
| 164 | N | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | Q | A | -1.1763 | |
| 167 | E | A | -0.8142 | |
| 168 | P | A | 0.0000 | |
| 169 | Y | A | -0.1413 | |
| 170 | F | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | W | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | D | A | -1.7078 | |
| 179 | G | A | -0.7946 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | -0.1856 | |
| 182 | A | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | K | A | -1.8542 | |
| 185 | Y | A | -1.7316 | |
| 186 | E | A | -3.0347 | |
| 187 | N | A | -2.7656 | |
| 188 | G | A | -2.6900 | |
| 189 | K | A | -3.1238 | |
| 190 | Y | A | -2.1409 | |
| 191 | D | A | -2.7703 | |
| 192 | I | A | -1.6913 | |
| 193 | K | A | -2.5597 | |
| 194 | D | A | -1.8989 | |
| 195 | V | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | D | A | -1.9608 | |
| 199 | N | A | -1.2415 | |
| 200 | A | A | -0.8628 | |
| 201 | G | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | K | A | -1.5807 | |
| 204 | A | A | -0.8823 | |
| 205 | G | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | T | A | -0.4235 | |
| 208 | F | A | -0.3141 | |
| 209 | L | A | 0.0000 | |
| 210 | V | A | -0.9742 | |
| 211 | D | A | -1.7215 | |
| 212 | L | A | 0.0000 | |
| 213 | I | A | -2.4020 | |
| 214 | K | A | -3.1948 | |
| 215 | N | A | -3.1238 | |
| 216 | K | A | -3.3360 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | N | A | -2.5867 | |
| 220 | A | A | -1.9813 | |
| 221 | D | A | -2.1869 | |
| 222 | T | A | 0.0000 | |
| 223 | D | A | -0.8676 | |
| 224 | Y | A | 0.2220 | |
| 225 | S | A | 0.3356 | |
| 226 | I | A | 0.8271 | |
| 227 | A | A | 0.0000 | |
| 228 | E | A | -0.4409 | |
| 229 | A | A | -0.6454 | |
| 230 | A | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | N | A | -2.1137 | |
| 233 | K | A | -2.6129 | |
| 234 | G | A | -2.2790 | |
| 235 | E | A | -2.5934 | |
| 236 | T | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | M | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | I | A | 0.0000 | |
| 241 | N | A | 0.0000 | |
| 242 | G | A | 0.0000 | |
| 243 | P | A | -0.0619 | |
| 244 | W | A | 0.1779 | |
| 245 | A | A | 0.0000 | |
| 246 | W | A | 0.0000 | |
| 247 | S | A | -1.1136 | |
| 248 | N | A | -1.8861 | |
| 249 | I | A | 0.0000 | |
| 250 | D | A | -2.2610 | |
| 251 | T | A | -1.6588 | |
| 252 | S | A | -2.0403 | |
| 253 | K | A | -2.5762 | |
| 254 | V | A | -2.0547 | |
| 255 | N | A | -1.7607 | |
| 256 | Y | A | -1.1110 | |
| 257 | G | A | -0.5512 | |
| 258 | V | A | 0.0000 | |
| 259 | T | A | -0.2276 | |
| 260 | V | A | -0.1272 | |
| 261 | L | A | 0.0000 | |
| 262 | P | A | 0.0000 | |
| 263 | T | A | -1.4719 | |
| 264 | F | A | 0.0000 | |
| 265 | K | A | -2.4776 | |
| 266 | G | A | -2.0406 | |
| 267 | Q | A | -1.8471 | |
| 268 | P | A | -1.2927 | |
| 269 | S | A | 0.0000 | |
| 270 | K | A | -1.0580 | |
| 271 | P | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | G | A | -0.3657 | |
| 275 | V | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | N | A | 0.0000 | |
| 282 | A | A | -0.5328 | |
| 283 | A | A | -0.3943 | |
| 284 | S | A | 0.0000 | |
| 285 | P | A | -1.5028 | |
| 286 | N | A | 0.0000 | |
| 287 | K | A | -2.2072 | |
| 288 | E | A | -2.5294 | |
| 289 | L | A | -1.6559 | |
| 290 | A | A | 0.0000 | |
| 291 | K | A | -2.1468 | |
| 292 | E | A | -1.9519 | |
| 293 | F | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | E | A | 0.0000 | |
| 296 | N | A | -1.5399 | |
| 297 | Y | A | -1.2220 | |
| 298 | L | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | T | A | -1.7977 | |
| 301 | D | A | -2.7058 | |
| 302 | E | A | -2.7871 | |
| 303 | G | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | E | A | -2.8588 | |
| 306 | A | A | -2.6328 | |
| 307 | V | A | 0.0000 | |
| 308 | N | A | -2.3461 | |
| 309 | K | A | -3.0420 | |
| 310 | D | A | -2.8402 | |
| 311 | K | A | -2.8488 | |
| 312 | P | A | -1.5652 | |
| 313 | L | A | -0.8918 | |
| 314 | G | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | K | A | -1.8887 | |
| 320 | S | A | -1.7727 | |
| 321 | Y | A | 0.0000 | |
| 322 | E | A | 0.0000 | |
| 323 | E | A | -3.2017 | |
| 324 | E | A | -3.3915 | |
| 325 | L | A | -2.1784 | |
| 326 | A | A | -2.1725 | |
| 327 | K | A | -2.8628 | |
| 328 | D | A | -1.9414 | |
| 329 | P | A | -1.1336 | |
| 330 | R | A | -0.9982 | |
| 331 | I | A | 0.0000 | |
| 332 | A | A | -1.3511 | |
| 333 | A | A | 0.0000 | |
| 334 | T | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | E | A | -1.8844 | |
| 337 | N | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | Q | A | -2.0895 | |
| 340 | K | A | -1.9263 | |
| 341 | G | A | -1.2851 | |
| 342 | E | A | -0.5360 | |
| 343 | I | A | -0.2874 | |
| 344 | M | A | 0.0571 | |
| 345 | P | A | 0.0000 | |
| 346 | N | A | 0.0000 | |
| 347 | I | A | -0.6724 | |
| 348 | P | A | -0.9610 | |
| 349 | Q | A | -0.4787 | |
| 350 | M | A | 0.0000 | |
| 351 | S | A | -0.0070 | |
| 352 | A | A | -0.0504 | |
| 353 | F | A | 0.0000 | |
| 354 | W | A | 0.3755 | |
| 355 | Y | A | 0.8082 | |
| 356 | A | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | R | A | -0.4550 | |
| 359 | T | A | -0.2436 | |
| 360 | A | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | I | A | -0.6693 | |
| 363 | N | A | -1.2575 | |
| 364 | A | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | S | A | -1.5500 | |
| 367 | G | A | -1.6819 | |
| 368 | R | A | -2.4488 | |
| 369 | Q | A | -2.2532 | |
| 370 | T | A | -1.9460 | |
| 371 | V | A | -2.0198 | |
| 372 | D | A | -3.4577 | |
| 373 | E | A | -3.7010 | |
| 374 | A | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | K | A | -3.5098 | |
| 377 | D | A | -2.9605 | |
| 378 | A | A | 0.0000 | |
| 379 | Q | A | -1.7008 | |
| 380 | T | A | -1.3885 | |
| 381 | N | A | -1.1810 | |
| 382 | S | A | 0.0000 | |
| 383 | S | A | -1.5435 | |
| 384 | S | A | -1.6739 | |
| 385 | N | A | -2.1091 | |
| 386 | N | A | 0.0000 | |
| 387 | N | A | -3.0124 | |
| 388 | N | A | -3.0615 | |
| 389 | N | A | -3.0679 | |
| 390 | N | A | -2.7664 |
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