| Chain sequence(s) |
A: AGKVIESRAAVAWEAKAPLVIETIQVDPPKEGEVRVHILATGVCHTDAHTLGGFDSEGMFPCILGHEGGGIVESVGPGVTSVQPGDHVIPLYIPQCRECKFCKSPKTNLCSRVRATQGRGVMPDGTVRFHCKGKDIYHFMGTSTFSEYTVVAEVSLAKVSQEAPLEKVCLLGCGISTGYGAALNTAKVEPNSSVAVWGLGAVGLAVLMGAKRAGATKIIGVDINPDKCAIAKSFGATDFVNPNDSDKPIQQVLADMTDGGVDFTFEAVGNVKTMRAAFESCHKGWGVATIIGVAAAGQEISTRPFQLVTGRVWKGTAFGGWKSRDSVPKLVDWYMNGDIKVDEFITGVLPLAQINEAFDLMHSGKSIRTIIKF
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:03)
[INFO] Main: Simulation completed successfully. (00:00:06)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | A | A | -0.4313 | |
| 2 | G | A | -1.0019 | |
| 3 | K | A | -1.3016 | |
| 4 | V | A | 0.2304 | |
| 5 | I | A | -0.5576 | |
| 6 | E | A | -1.9451 | |
| 7 | S | A | 0.0000 | |
| 8 | R | A | -1.3417 | |
| 9 | A | A | 0.0000 | |
| 10 | A | A | 0.0000 | |
| 11 | V | A | 0.0000 | |
| 12 | A | A | 0.0000 | |
| 13 | W | A | -0.4993 | |
| 14 | E | A | -1.9669 | |
| 15 | A | A | -1.4312 | |
| 16 | K | A | -2.0111 | |
| 17 | A | A | -1.2783 | |
| 18 | P | A | -0.7332 | |
| 19 | L | A | 0.0000 | |
| 20 | V | A | 1.2346 | |
| 21 | I | A | 0.8190 | |
| 22 | E | A | 0.0000 | |
| 23 | T | A | -1.0525 | |
| 24 | I | A | 0.0000 | |
| 25 | Q | A | -1.3595 | |
| 26 | V | A | 0.0000 | |
| 27 | D | A | -0.5729 | |
| 28 | P | A | -0.6036 | |
| 29 | P | A | -1.0981 | |
| 30 | K | A | -2.3820 | |
| 31 | E | A | -2.8011 | |
| 32 | G | A | -1.5863 | |
| 33 | E | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | R | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | H | A | -0.0996 | |
| 38 | I | A | 0.0000 | |
| 39 | L | A | 0.3406 | |
| 40 | A | A | 0.0000 | |
| 41 | T | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | C | A | 0.0000 | |
| 45 | H | A | -0.8240 | |
| 46 | T | A | -0.1311 | |
| 47 | D | A | 0.0000 | |
| 48 | A | A | -0.7918 | |
| 49 | H | A | -0.0344 | |
| 50 | T | A | 0.0000 | |
| 51 | L | A | -0.6236 | |
| 52 | G | A | -0.6030 | |
| 53 | G | A | -0.3944 | |
| 54 | F | A | 1.0537 | |
| 55 | D | A | -0.0702 | |
| 56 | S | A | -0.7254 | |
| 57 | E | A | -1.7726 | |
| 58 | G | A | -0.9234 | |
| 59 | M | A | -0.4395 | |
| 60 | F | A | -0.1715 | |
| 61 | P | A | -0.5503 | |
| 62 | C | A | 0.0000 | |
| 63 | I | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | H | A | 0.0000 | |
| 67 | E | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | I | A | -0.2063 | |
| 72 | V | A | 0.0000 | |
| 73 | E | A | -0.6500 | |
| 74 | S | A | 0.0000 | |
| 75 | V | A | -0.5624 | |
| 76 | G | A | 0.0000 | |
| 77 | P | A | -1.3546 | |
| 78 | G | A | -1.1705 | |
| 79 | V | A | -0.7756 | |
| 80 | T | A | -0.3826 | |
| 81 | S | A | -0.5025 | |
| 82 | V | A | 0.0000 | |
| 83 | Q | A | -1.4202 | |
| 84 | P | A | -0.9392 | |
| 85 | G | A | -0.9269 | |
| 86 | D | A | 0.0000 | |
| 87 | H | A | -1.2375 | |
| 88 | V | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | P | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | Y | A | 0.1845 | |
| 93 | I | A | 0.3561 | |
| 94 | P | A | 0.0000 | |
| 95 | Q | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | R | A | -3.1831 | |
| 98 | E | A | -3.4600 | |
| 99 | C | A | -2.5331 | |
| 100 | K | A | -2.6735 | |
| 101 | F | A | -1.5255 | |
| 102 | C | A | -2.3313 | |
| 103 | K | A | -3.1722 | |
| 104 | S | A | -1.9862 | |
| 105 | P | A | -1.6250 | |
| 106 | K | A | -1.9064 | |
| 107 | T | A | -0.9608 | |
| 108 | N | A | 0.0000 | |
| 109 | L | A | 0.4673 | |
| 110 | C | A | 0.0000 | |
| 111 | S | A | -1.4044 | |
| 112 | R | A | -2.6127 | |
| 113 | V | A | 0.0000 | |
| 114 | R | A | -1.9134 | |
| 115 | A | A | -1.3685 | |
| 116 | T | A | -1.6391 | |
| 117 | Q | A | -1.3571 | |
| 118 | G | A | -1.6238 | |
| 119 | R | A | -2.2317 | |
| 120 | G | A | 0.0000 | |
| 121 | V | A | -0.8963 | |
| 122 | M | A | 0.0000 | |
| 123 | P | A | -1.8097 | |
| 124 | D | A | -2.2090 | |
| 125 | G | A | -1.3378 | |
| 126 | T | A | -0.9959 | |
| 127 | V | A | 0.0000 | |
| 128 | R | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | H | A | -2.3062 | |
| 131 | C | A | 0.0000 | |
| 132 | K | A | -2.8148 | |
| 133 | G | A | -2.5885 | |
| 134 | K | A | -3.3619 | |
| 135 | D | A | -2.9834 | |
| 136 | I | A | 0.0000 | |
| 137 | Y | A | -0.3985 | |
| 138 | H | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | M | A | -0.1785 | |
| 141 | G | A | -0.2888 | |
| 142 | T | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | T | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | E | A | -0.5940 | |
| 148 | Y | A | -0.3866 | |
| 149 | T | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | E | A | -0.3302 | |
| 154 | V | A | -0.3440 | |
| 155 | S | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | K | A | -1.5496 | |
| 159 | V | A | 0.0000 | |
| 160 | S | A | -1.8742 | |
| 161 | Q | A | -2.2903 | |
| 162 | E | A | -2.4969 | |
| 163 | A | A | 0.0000 | |
| 164 | P | A | -0.9233 | |
| 165 | L | A | 0.0000 | |
| 166 | E | A | -0.7578 | |
| 167 | K | A | -0.9807 | |
| 168 | V | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | C | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | L | A | -1.0560 | |
| 184 | N | A | -1.0224 | |
| 185 | T | A | -1.0346 | |
| 186 | A | A | 0.0000 | |
| 187 | K | A | -2.1806 | |
| 188 | V | A | 0.0000 | |
| 189 | E | A | -3.1168 | |
| 190 | P | A | -2.4879 | |
| 191 | N | A | -2.2174 | |
| 192 | S | A | 0.0000 | |
| 193 | S | A | -0.9086 | |
| 194 | V | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | W | A | 0.0000 | |
| 198 | G | A | 0.6183 | |
| 199 | L | A | 0.0000 | |
| 200 | G | A | -0.0161 | |
| 201 | A | A | 0.0000 | |
| 202 | V | A | 0.4321 | |
| 203 | G | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | K | A | -3.0915 | |
| 212 | R | A | -3.1330 | |
| 213 | A | A | -2.5136 | |
| 214 | G | A | -2.3478 | |
| 215 | A | A | -2.1962 | |
| 216 | T | A | -1.3680 | |
| 217 | K | A | -1.0662 | |
| 218 | I | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | D | A | 0.3963 | |
| 223 | I | A | 0.8471 | |
| 224 | N | A | -0.3447 | |
| 225 | P | A | -0.8940 | |
| 226 | D | A | -1.9605 | |
| 227 | K | A | -1.1746 | |
| 228 | C | A | -0.6876 | |
| 229 | A | A | -0.6949 | |
| 230 | I | A | -0.5801 | |
| 231 | A | A | 0.0000 | |
| 232 | K | A | -1.6451 | |
| 233 | S | A | -0.9401 | |
| 234 | F | A | 0.0000 | |
| 235 | G | A | -1.4865 | |
| 236 | A | A | 0.0000 | |
| 237 | T | A | -0.9500 | |
| 238 | D | A | -0.5420 | |
| 239 | F | A | -0.1084 | |
| 240 | V | A | -0.0214 | |
| 241 | N | A | -0.4188 | |
| 242 | P | A | -1.2706 | |
| 243 | N | A | -2.3442 | |
| 244 | D | A | -2.7571 | |
| 245 | S | A | -2.7334 | |
| 246 | D | A | -3.2298 | |
| 247 | K | A | -3.1457 | |
| 248 | P | A | -1.8153 | |
| 249 | I | A | -1.4894 | |
| 250 | Q | A | -1.2436 | |
| 251 | Q | A | -1.7295 | |
| 252 | V | A | -1.3496 | |
| 253 | L | A | 0.0000 | |
| 254 | A | A | -1.7034 | |
| 255 | D | A | -2.3469 | |
| 256 | M | A | -1.1014 | |
| 257 | T | A | -1.4746 | |
| 258 | D | A | -2.3806 | |
| 259 | G | A | -2.0907 | |
| 260 | G | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | D | A | -0.8051 | |
| 263 | F | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | F | A | 0.0000 | |
| 266 | E | A | 0.0000 | |
| 267 | A | A | 1.0369 | |
| 268 | V | A | 1.7081 | |
| 269 | G | A | 0.9100 | |
| 270 | N | A | -0.5875 | |
| 271 | V | A | -0.9570 | |
| 272 | K | A | -2.0774 | |
| 273 | T | A | -0.7962 | |
| 274 | M | A | 0.0000 | |
| 275 | R | A | -1.3566 | |
| 276 | A | A | -1.1168 | |
| 277 | A | A | 0.0000 | |
| 278 | F | A | 0.0000 | |
| 279 | E | A | -0.9784 | |
| 280 | S | A | 0.0000 | |
| 281 | C | A | 0.0000 | |
| 282 | H | A | -1.2361 | |
| 283 | K | A | -1.4700 | |
| 284 | G | A | -0.4217 | |
| 285 | W | A | 0.5925 | |
| 286 | G | A | 0.0000 | |
| 287 | V | A | 0.0937 | |
| 288 | A | A | 0.0000 | |
| 289 | T | A | 0.0000 | |
| 290 | I | A | 0.2385 | |
| 291 | I | A | 0.0000 | |
| 292 | G | A | 1.2056 | |
| 293 | V | A | 1.6360 | |
| 294 | A | A | 0.6422 | |
| 295 | A | A | 0.0139 | |
| 296 | A | A | -0.4232 | |
| 297 | G | A | -1.4810 | |
| 298 | Q | A | -1.8922 | |
| 299 | E | A | -2.1762 | |
| 300 | I | A | -0.5488 | |
| 301 | S | A | -0.9948 | |
| 302 | T | A | -0.8373 | |
| 303 | R | A | -1.1577 | |
| 304 | P | A | 0.4614 | |
| 305 | F | A | 2.0616 | |
| 306 | Q | A | 0.7694 | |
| 307 | L | A | 1.9687 | |
| 308 | V | A | 2.4128 | |
| 309 | T | A | 1.1505 | |
| 310 | G | A | 0.7820 | |
| 311 | R | A | 0.8556 | |
| 312 | V | A | 1.2176 | |
| 313 | W | A | 0.3084 | |
| 314 | K | A | -0.5313 | |
| 315 | G | A | -0.5302 | |
| 316 | T | A | -0.4209 | |
| 317 | A | A | 0.3125 | |
| 318 | F | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | G | A | -0.3996 | |
| 321 | W | A | -0.1453 | |
| 322 | K | A | -0.5154 | |
| 323 | S | A | 0.0000 | |
| 324 | R | A | -1.1910 | |
| 325 | D | A | -1.6258 | |
| 326 | S | A | -1.2574 | |
| 327 | V | A | 0.0000 | |
| 328 | P | A | -1.6109 | |
| 329 | K | A | -2.1518 | |
| 330 | L | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | D | A | -2.2105 | |
| 333 | W | A | -1.6284 | |
| 334 | Y | A | -1.4092 | |
| 335 | M | A | -1.2617 | |
| 336 | N | A | -1.8950 | |
| 337 | G | A | -1.8784 | |
| 338 | D | A | -2.6267 | |
| 339 | I | A | 0.0000 | |
| 340 | K | A | -1.3885 | |
| 341 | V | A | 0.0000 | |
| 342 | D | A | -1.5588 | |
| 343 | E | A | -1.4816 | |
| 344 | F | A | 0.0000 | |
| 345 | I | A | -0.1248 | |
| 346 | T | A | -0.1430 | |
| 347 | G | A | 0.6666 | |
| 348 | V | A | 1.3186 | |
| 349 | L | A | 0.2829 | |
| 350 | P | A | -0.1638 | |
| 351 | L | A | 0.0000 | |
| 352 | A | A | -0.3674 | |
| 353 | Q | A | -0.9996 | |
| 354 | I | A | 0.0000 | |
| 355 | N | A | -1.3699 | |
| 356 | E | A | -2.1539 | |
| 357 | A | A | 0.0000 | |
| 358 | F | A | 0.0000 | |
| 359 | D | A | -2.7607 | |
| 360 | L | A | -1.8261 | |
| 361 | M | A | 0.0000 | |
| 362 | H | A | -2.2004 | |
| 363 | S | A | -1.6651 | |
| 364 | G | A | -1.8713 | |
| 365 | K | A | -2.4053 | |
| 366 | S | A | -1.1869 | |
| 367 | I | A | 0.0000 | |
| 368 | R | A | 0.0000 | |
| 369 | T | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | K | A | -0.4182 | |
| 373 | F | A | -0.0131 |
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