| Chain sequence(s) |
A: MAAVTAAAISLSSSSASSPAAAAKAKAASPSSSPCRHLQFLSAASPRRRWRAGARAVRAQVSTTETAAAGPAKTSKKQDEGLVTNKYKPKEPYVGRCLSNTRITGDDAPGETWHMVFSTEGEIPYREGQSIGIIADGEDKNGKPHKLRLYSIASSALGDFGDSKTVSLCVKRLVYTNDQGEIVKGVCSNFLCDLKPGADVKITGPVGKEMLMPKDPNATVIMLATGTGIAPFRSFLWKMFLEEHEDYKFSGLAWLFLGVPTSDSLLYKEELEKMKEMAPDNFRLDFAVSREQTNAAGEKMYIQTRMAEYREELWELLKKDNTYVYMCGLKGMEKGIDDIMLNLAAKDGIDWMQYKKQLKKGEQWNVEVY
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] (00:00:00)
[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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:03)
|
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 | M | A | 1.0943 | |
| 2 | A | A | 0.9974 | |
| 3 | A | A | 1.1481 | |
| 4 | V | A | 1.7900 | |
| 5 | T | A | 0.9105 | |
| 6 | A | A | 0.4475 | |
| 7 | A | A | 0.5672 | |
| 8 | A | A | 1.0193 | |
| 9 | I | A | 2.3139 | |
| 10 | S | A | 1.4793 | |
| 11 | L | A | 1.7706 | |
| 12 | S | A | 0.3415 | |
| 13 | S | A | -0.1766 | |
| 14 | S | A | -0.4696 | |
| 15 | S | A | -0.3858 | |
| 16 | A | A | -0.2335 | |
| 17 | S | A | -0.3943 | |
| 18 | S | A | -0.4370 | |
| 19 | P | A | -0.3822 | |
| 20 | A | A | -0.0662 | |
| 21 | A | A | 0.0763 | |
| 22 | A | A | -0.2456 | |
| 23 | A | A | -0.7012 | |
| 24 | K | A | -2.0046 | |
| 25 | A | A | -1.6251 | |
| 26 | K | A | -1.9996 | |
| 27 | A | A | -0.8812 | |
| 28 | A | A | -0.4190 | |
| 29 | S | A | -0.3551 | |
| 30 | P | A | -0.5015 | |
| 31 | S | A | -0.5256 | |
| 32 | S | A | -0.5265 | |
| 33 | S | A | -0.3355 | |
| 34 | P | A | -0.4531 | |
| 35 | C | A | -0.5661 | |
| 36 | R | A | -1.7865 | |
| 37 | H | A | -1.0713 | |
| 38 | L | A | 0.6791 | |
| 39 | Q | A | 0.4189 | |
| 40 | F | A | 2.3489 | |
| 41 | L | A | 2.2809 | |
| 42 | S | A | 0.8530 | |
| 43 | A | A | 0.2722 | |
| 44 | A | A | -0.1187 | |
| 45 | S | A | -0.7104 | |
| 46 | P | A | -1.6091 | |
| 47 | R | A | -3.3992 | |
| 48 | R | A | -3.4589 | |
| 49 | R | A | -2.9930 | |
| 50 | W | A | -1.0087 | |
| 51 | R | A | -1.7297 | |
| 52 | A | A | -1.0319 | |
| 53 | G | A | -1.2336 | |
| 54 | A | A | -0.8263 | |
| 55 | R | A | -1.6759 | |
| 56 | A | A | -0.4434 | |
| 57 | V | A | 0.3461 | |
| 58 | R | A | -1.2523 | |
| 59 | A | A | -0.4496 | |
| 60 | Q | A | -0.6377 | |
| 61 | V | A | 0.8570 | |
| 62 | S | A | 0.0043 | |
| 63 | T | A | -0.4131 | |
| 64 | T | A | -0.8457 | |
| 65 | E | A | -1.9135 | |
| 66 | T | A | -0.9378 | |
| 67 | A | A | -0.5468 | |
| 68 | A | A | -0.3317 | |
| 69 | A | A | -0.1853 | |
| 70 | G | A | -0.7322 | |
| 71 | P | A | -0.8909 | |
| 72 | A | A | -1.0296 | |
| 73 | K | A | -1.9359 | |
| 74 | T | A | -1.3845 | |
| 75 | S | A | -1.4619 | |
| 76 | K | A | -1.6093 | |
| 77 | K | A | 0.0000 | |
| 78 | Q | A | -1.7280 | |
| 79 | D | A | -2.2126 | |
| 80 | E | A | -2.2956 | |
| 81 | G | A | -1.2506 | |
| 82 | L | A | -0.7607 | |
| 83 | V | A | -0.4404 | |
| 84 | T | A | -0.9483 | |
| 85 | N | A | -2.0111 | |
| 86 | K | A | -2.1628 | |
| 87 | Y | A | -2.2597 | |
| 88 | K | A | -3.4092 | |
| 89 | P | A | -2.8063 | |
| 90 | K | A | -3.2289 | |
| 91 | E | A | -3.1389 | |
| 92 | P | A | -1.6378 | |
| 93 | Y | A | -0.6518 | |
| 94 | V | A | 0.5639 | |
| 95 | G | A | 0.0000 | |
| 96 | R | A | -2.5440 | |
| 97 | C | A | 0.0000 | |
| 98 | L | A | -0.4719 | |
| 99 | S | A | -0.4865 | |
| 100 | N | A | -0.8828 | |
| 101 | T | A | -0.5393 | |
| 102 | R | A | -1.0177 | |
| 103 | I | A | -0.5251 | |
| 104 | T | A | 0.0000 | |
| 105 | G | A | -2.0389 | |
| 106 | D | A | -3.0510 | |
| 107 | D | A | -3.0561 | |
| 108 | A | A | -2.0264 | |
| 109 | P | A | -1.2735 | |
| 110 | G | A | -1.0982 | |
| 111 | E | A | -1.4592 | |
| 112 | T | A | 0.0000 | |
| 113 | W | A | -0.8452 | |
| 114 | H | A | -0.3461 | |
| 115 | M | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | F | A | 0.0000 | |
| 118 | S | A | -1.6456 | |
| 119 | T | A | 0.0000 | |
| 120 | E | A | -3.3565 | |
| 121 | G | A | -2.5974 | |
| 122 | E | A | -2.1816 | |
| 123 | I | A | 0.0000 | |
| 124 | P | A | -0.7115 | |
| 125 | Y | A | 0.0000 | |
| 126 | R | A | -0.3961 | |
| 127 | E | A | 0.0000 | |
| 128 | G | A | 0.0000 | |
| 129 | Q | A | 0.0000 | |
| 130 | S | A | 0.0000 | |
| 131 | I | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | D | A | -2.6083 | |
| 137 | G | A | -2.6018 | |
| 138 | E | A | -4.5101 | |
| 139 | D | A | -3.9893 | |
| 140 | K | A | -3.5543 | |
| 141 | N | A | -3.4527 | |
| 142 | G | A | -3.3860 | |
| 143 | K | A | -3.9833 | |
| 144 | P | A | -3.4911 | |
| 145 | H | A | -3.0216 | |
| 146 | K | A | -2.3187 | |
| 147 | L | A | -0.8733 | |
| 148 | R | A | -0.4936 | |
| 149 | L | A | 1.1049 | |
| 150 | Y | A | 0.8289 | |
| 151 | S | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | S | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | A | A | -0.4635 | |
| 157 | L | A | -0.3355 | |
| 158 | G | A | 0.0000 | |
| 159 | D | A | 0.1744 | |
| 160 | F | A | 0.9484 | |
| 161 | G | A | -0.3741 | |
| 162 | D | A | -1.7626 | |
| 163 | S | A | -1.7208 | |
| 164 | K | A | -2.8795 | |
| 165 | T | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | K | A | -1.2901 | |
| 172 | R | A | -0.4052 | |
| 173 | L | A | 1.2818 | |
| 174 | V | A | 2.0705 | |
| 175 | Y | A | 1.6223 | |
| 176 | T | A | -0.0892 | |
| 177 | N | A | -1.3270 | |
| 178 | D | A | -2.6848 | |
| 179 | Q | A | -2.6828 | |
| 180 | G | A | -1.9356 | |
| 181 | E | A | -1.7673 | |
| 182 | I | A | 0.9964 | |
| 183 | V | A | 1.0726 | |
| 184 | K | A | 0.2031 | |
| 185 | G | A | 0.8755 | |
| 186 | V | A | 0.7578 | |
| 187 | C | A | 0.0000 | |
| 188 | S | A | -0.1471 | |
| 189 | N | A | 0.0000 | |
| 190 | F | A | -0.5801 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | D | A | -2.1162 | |
| 194 | L | A | 0.0000 | |
| 195 | K | A | -2.7006 | |
| 196 | P | A | -1.5826 | |
| 197 | G | A | -1.6172 | |
| 198 | A | A | -1.8365 | |
| 199 | D | A | -2.5884 | |
| 200 | V | A | 0.0000 | |
| 201 | K | A | -0.8108 | |
| 202 | I | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | P | A | 0.0000 | |
| 206 | V | A | -0.2314 | |
| 207 | G | A | -1.0548 | |
| 208 | K | A | -2.2777 | |
| 209 | E | A | -2.0378 | |
| 210 | M | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | M | A | 0.0000 | |
| 213 | P | A | 0.0000 | |
| 214 | K | A | -1.6472 | |
| 215 | D | A | -1.7795 | |
| 216 | P | A | -1.8118 | |
| 217 | N | A | -1.9394 | |
| 218 | A | A | 0.0000 | |
| 219 | T | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | M | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | T | A | 0.2936 | |
| 226 | G | A | -0.0425 | |
| 227 | T | A | -0.1162 | |
| 228 | G | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | R | A | 0.0000 | |
| 234 | S | A | 0.0000 | |
| 235 | F | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | W | A | 0.0401 | |
| 238 | K | A | -0.4874 | |
| 239 | M | A | 0.0000 | |
| 240 | F | A | -0.2715 | |
| 241 | L | A | 0.0013 | |
| 242 | E | A | -1.0899 | |
| 243 | E | A | -2.8198 | |
| 244 | H | A | -2.9102 | |
| 245 | E | A | -3.5024 | |
| 246 | D | A | -3.3006 | |
| 247 | Y | A | 0.0000 | |
| 248 | K | A | -3.1056 | |
| 249 | F | A | -1.5740 | |
| 250 | S | A | -1.3241 | |
| 251 | G | A | -1.2626 | |
| 252 | L | A | -0.6011 | |
| 253 | A | A | 0.0000 | |
| 254 | W | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | G | A | 0.1877 | |
| 259 | V | A | 0.0000 | |
| 260 | P | A | -1.2671 | |
| 261 | T | A | -1.6974 | |
| 262 | S | A | -1.3777 | |
| 263 | D | A | -1.7738 | |
| 264 | S | A | 0.0000 | |
| 265 | L | A | -0.4649 | |
| 266 | L | A | 0.0000 | |
| 267 | Y | A | 0.0000 | |
| 268 | K | A | -2.1843 | |
| 269 | E | A | -3.2770 | |
| 270 | E | A | -2.4937 | |
| 271 | L | A | 0.0000 | |
| 272 | E | A | -3.5636 | |
| 273 | K | A | -3.6303 | |
| 274 | M | A | 0.0000 | |
| 275 | K | A | -3.2406 | |
| 276 | E | A | -3.0129 | |
| 277 | M | A | -1.0547 | |
| 278 | A | A | -1.4388 | |
| 279 | P | A | -2.2109 | |
| 280 | D | A | -2.3712 | |
| 281 | N | A | -1.4435 | |
| 282 | F | A | 0.0000 | |
| 283 | R | A | -1.1585 | |
| 284 | L | A | -0.5231 | |
| 285 | D | A | -0.1376 | |
| 286 | F | A | 0.1669 | |
| 287 | A | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | S | A | 0.0000 | |
| 290 | R | A | -3.3509 | |
| 291 | E | A | -3.2520 | |
| 292 | Q | A | -2.5496 | |
| 293 | T | A | -2.4338 | |
| 294 | N | A | -1.6552 | |
| 295 | A | A | -0.7423 | |
| 296 | A | A | -1.0394 | |
| 297 | G | A | -1.8908 | |
| 298 | E | A | -3.0681 | |
| 299 | K | A | -3.3972 | |
| 300 | M | A | 0.0000 | |
| 301 | Y | A | -0.2292 | |
| 302 | I | A | 0.0000 | |
| 303 | Q | A | -0.8309 | |
| 304 | T | A | -1.0121 | |
| 305 | R | A | -0.9839 | |
| 306 | M | A | 0.0000 | |
| 307 | A | A | -1.5345 | |
| 308 | E | A | -2.3596 | |
| 309 | Y | A | -1.9080 | |
| 310 | R | A | -3.1166 | |
| 311 | E | A | -3.4395 | |
| 312 | E | A | -2.8326 | |
| 313 | L | A | 0.0000 | |
| 314 | W | A | 0.0000 | |
| 315 | E | A | -3.1967 | |
| 316 | L | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | K | A | -2.5018 | |
| 319 | K | A | -3.0514 | |
| 320 | D | A | -2.8514 | |
| 321 | N | A | -2.3094 | |
| 322 | T | A | 0.0000 | |
| 323 | Y | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | Y | A | 0.0000 | |
| 326 | M | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | L | A | 1.0154 | |
| 330 | K | A | -0.9364 | |
| 331 | G | A | -1.3038 | |
| 332 | M | A | 0.0000 | |
| 333 | E | A | -1.7203 | |
| 334 | K | A | -2.6986 | |
| 335 | G | A | -1.4911 | |
| 336 | I | A | 0.0000 | |
| 337 | D | A | -1.3643 | |
| 338 | D | A | -1.8730 | |
| 339 | I | A | -1.1285 | |
| 340 | M | A | 0.0000 | |
| 341 | L | A | -0.5769 | |
| 342 | N | A | -1.9464 | |
| 343 | L | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | A | A | -1.7672 | |
| 346 | K | A | -2.7091 | |
| 347 | D | A | -2.5347 | |
| 348 | G | A | -1.6500 | |
| 349 | I | A | -1.1078 | |
| 350 | D | A | -1.9157 | |
| 351 | W | A | 0.0000 | |
| 352 | M | A | -0.6370 | |
| 353 | Q | A | -2.1578 | |
| 354 | Y | A | -1.8006 | |
| 355 | K | A | 0.0000 | |
| 356 | K | A | -3.3405 | |
| 357 | Q | A | -3.1719 | |
| 358 | L | A | 0.0000 | |
| 359 | K | A | -3.1315 | |
| 360 | K | A | -3.2364 | |
| 361 | G | A | -2.3843 | |
| 362 | E | A | -1.9612 | |
| 363 | Q | A | 0.0000 | |
| 364 | W | A | 0.0000 | |
| 365 | N | A | 0.0000 | |
| 366 | V | A | -0.1020 | |
| 367 | E | A | -0.0469 | |
| 368 | V | A | 0.6393 | |
| 369 | Y | A | 1.4634 |
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