| Chain sequence(s) |
A: MADAHDPTICKRSGSDQKNTWREVKASKGLKSDAEVALTLRDKMKTLFAKSDSSGPADKKMKLSQSEVQRLIEQEVQTALKKKENKLLGLLGTIQELDESLNYKSSIQKLEERINTVTKRAEAAIAFMTQKESPGPSLNDVNLKRADTVGKKMEIPTVDKKGIESMEANEELLNMMKSTKRALTKMQEDNESLKVAIADLREELPFPSTNGSPASEGTQILIKKEPDHVVEKIKVEETKQCEEPTAKRVKAESLSPDHSSRPKQTDTKQDTLSYPPLPLKPFPPVLSMEVASYNIPGRPKVDLAFIKNPATLSVLWDVEDKGQPAPPMDRYCLFITTENVKGSGVFPSWTALGEVAAIPLPMCVMLSKYKPGHKVCVAVIGKDKFGRYGPYSKVVSKAIPE
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 (00:06:15)
[INFO] Main: Simulation completed successfully. (00:06:18)
|
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 | 0.7090 | |
| 2 | A | A | -0.4070 | |
| 3 | D | A | -1.7334 | |
| 4 | A | A | -1.7604 | |
| 5 | H | A | -2.2955 | |
| 6 | D | A | -2.1116 | |
| 7 | P | A | -0.7220 | |
| 8 | T | A | 0.1027 | |
| 9 | I | A | 1.3915 | |
| 10 | C | A | 0.1793 | |
| 11 | K | A | -1.9343 | |
| 12 | R | A | -2.6878 | |
| 13 | S | A | -2.0947 | |
| 14 | G | A | -2.2547 | |
| 15 | S | A | -2.5652 | |
| 16 | D | A | -3.5497 | |
| 17 | Q | A | -3.4280 | |
| 18 | K | A | -3.5327 | |
| 19 | N | A | -3.2847 | |
| 20 | T | A | -2.0607 | |
| 21 | W | A | -1.1623 | |
| 22 | R | A | -2.6479 | |
| 23 | E | A | -3.0943 | |
| 24 | V | A | -1.6896 | |
| 25 | K | A | -2.6241 | |
| 26 | A | A | -1.9191 | |
| 27 | S | A | -1.8094 | |
| 28 | K | A | -2.4793 | |
| 29 | G | A | -1.7673 | |
| 30 | L | A | -2.1367 | |
| 31 | K | A | -2.5066 | |
| 32 | S | A | -1.9989 | |
| 33 | D | A | -2.2150 | |
| 34 | A | A | -0.9178 | |
| 35 | E | A | -1.2758 | |
| 36 | V | A | 0.0000 | |
| 37 | A | A | -0.5121 | |
| 38 | L | A | -0.0110 | |
| 39 | T | A | -1.1239 | |
| 40 | L | A | -1.2697 | |
| 41 | R | A | -2.5010 | |
| 42 | D | A | -2.8968 | |
| 43 | K | A | -2.2962 | |
| 44 | M | A | -0.8601 | |
| 45 | K | A | -2.0642 | |
| 46 | T | A | -1.0741 | |
| 47 | L | A | 0.5647 | |
| 48 | F | A | 0.8700 | |
| 49 | A | A | -0.2934 | |
| 50 | K | A | -1.5434 | |
| 51 | S | A | -1.2246 | |
| 52 | D | A | -2.2537 | |
| 53 | S | A | -1.5021 | |
| 54 | S | A | -0.9676 | |
| 55 | G | A | -1.0048 | |
| 56 | P | A | -1.1284 | |
| 57 | A | A | -1.8513 | |
| 58 | D | A | -3.1080 | |
| 59 | K | A | -3.3442 | |
| 60 | K | A | -2.8579 | |
| 61 | M | A | -1.2133 | |
| 62 | K | A | -2.0673 | |
| 63 | L | A | -0.6888 | |
| 64 | S | A | -1.2141 | |
| 65 | Q | A | -1.8822 | |
| 66 | S | A | -1.3026 | |
| 67 | E | A | -1.6714 | |
| 68 | V | A | -0.5606 | |
| 69 | Q | A | -1.9646 | |
| 70 | R | A | -2.6231 | |
| 71 | L | A | -0.7217 | |
| 72 | I | A | -0.6529 | |
| 73 | E | A | -2.6721 | |
| 74 | Q | A | -2.4972 | |
| 75 | E | A | -2.3035 | |
| 76 | V | A | -1.0377 | |
| 77 | Q | A | -2.0998 | |
| 78 | T | A | -2.3863 | |
| 79 | A | A | -2.1862 | |
| 80 | L | A | -2.0372 | |
| 81 | K | A | -3.9112 | |
| 82 | K | A | -4.1585 | |
| 83 | K | A | -4.1852 | |
| 84 | E | A | -3.7457 | |
| 85 | N | A | -3.2667 | |
| 86 | K | A | -2.6234 | |
| 87 | L | A | -0.1687 | |
| 88 | L | A | 0.9348 | |
| 89 | G | A | 0.4550 | |
| 90 | L | A | 2.0393 | |
| 91 | L | A | 2.4785 | |
| 92 | G | A | 0.7351 | |
| 93 | T | A | 0.6894 | |
| 94 | I | A | 1.1536 | |
| 95 | Q | A | -1.3341 | |
| 96 | E | A | -2.1516 | |
| 97 | L | A | -0.9725 | |
| 98 | D | A | -2.5937 | |
| 99 | E | A | -3.0811 | |
| 100 | S | A | -1.5828 | |
| 101 | L | A | -1.2029 | |
| 102 | N | A | -1.6339 | |
| 103 | Y | A | -0.3430 | |
| 104 | K | A | -1.1448 | |
| 105 | S | A | -0.9879 | |
| 106 | S | A | -0.3975 | |
| 107 | I | A | 0.1068 | |
| 108 | Q | A | -1.9940 | |
| 109 | K | A | -2.2353 | |
| 110 | L | A | -0.8735 | |
| 111 | E | A | -2.2135 | |
| 112 | E | A | -3.1118 | |
| 113 | R | A | -2.2965 | |
| 114 | I | A | -0.6388 | |
| 115 | N | A | -1.8984 | |
| 116 | T | A | -1.5282 | |
| 117 | V | A | -0.3251 | |
| 118 | T | A | -1.3940 | |
| 119 | K | A | -2.6637 | |
| 120 | R | A | -2.2835 | |
| 121 | A | A | -1.1713 | |
| 122 | E | A | -1.7374 | |
| 123 | A | A | -0.5141 | |
| 124 | A | A | 0.5171 | |
| 125 | I | A | 1.6127 | |
| 126 | A | A | 0.8839 | |
| 127 | F | A | 1.5374 | |
| 128 | M | A | 0.6636 | |
| 129 | T | A | -0.4730 | |
| 130 | Q | A | -1.6222 | |
| 131 | K | A | -2.6238 | |
| 132 | E | A | -2.8891 | |
| 133 | S | A | -2.0993 | |
| 134 | P | A | -1.4637 | |
| 135 | G | A | -1.0285 | |
| 136 | P | A | -0.3216 | |
| 137 | S | A | -0.1882 | |
| 138 | L | A | 0.5094 | |
| 139 | N | A | -1.2032 | |
| 140 | D | A | -1.5058 | |
| 141 | V | A | 0.2940 | |
| 142 | N | A | -0.8632 | |
| 143 | L | A | 0.0665 | |
| 144 | K | A | -2.0416 | |
| 145 | R | A | -2.8740 | |
| 146 | A | A | -2.2142 | |
| 147 | D | A | -1.8160 | |
| 148 | T | A | -0.3680 | |
| 149 | V | A | 0.6976 | |
| 150 | G | A | -0.8935 | |
| 151 | K | A | -2.2072 | |
| 152 | K | A | -2.5326 | |
| 153 | M | A | -0.6871 | |
| 154 | E | A | -0.7321 | |
| 155 | I | A | 1.2383 | |
| 156 | P | A | 0.5354 | |
| 157 | T | A | 0.3599 | |
| 158 | V | A | 0.1668 | |
| 159 | D | A | -2.1364 | |
| 160 | K | A | -3.2139 | |
| 161 | K | A | -3.0378 | |
| 162 | G | A | -1.9181 | |
| 163 | I | A | -1.2933 | |
| 164 | E | A | -2.9422 | |
| 165 | S | A | -2.0037 | |
| 166 | M | A | -1.3150 | |
| 167 | E | A | -2.9416 | |
| 168 | A | A | -2.2904 | |
| 169 | N | A | -2.4259 | |
| 170 | E | A | -3.2584 | |
| 171 | E | A | -2.6312 | |
| 172 | L | A | -0.2573 | |
| 173 | L | A | -0.6211 | |
| 174 | N | A | -1.6404 | |
| 175 | M | A | -0.3439 | |
| 176 | M | A | -0.3398 | |
| 177 | K | A | -1.5612 | |
| 178 | S | A | -1.2147 | |
| 179 | T | A | -1.3027 | |
| 180 | K | A | -2.5270 | |
| 181 | R | A | -2.8427 | |
| 182 | A | A | -1.6548 | |
| 183 | L | A | -1.0889 | |
| 184 | T | A | -2.3126 | |
| 185 | K | A | -3.4441 | |
| 186 | M | A | -2.3175 | |
| 187 | Q | A | -3.3184 | |
| 188 | E | A | -4.3864 | |
| 189 | D | A | -3.8376 | |
| 190 | N | A | -3.3940 | |
| 191 | E | A | -3.5387 | |
| 192 | S | A | -1.7278 | |
| 193 | L | A | -0.7683 | |
| 194 | K | A | -1.5035 | |
| 195 | V | A | 0.3692 | |
| 196 | A | A | 0.1646 | |
| 197 | I | A | 0.2166 | |
| 198 | A | A | -0.8819 | |
| 199 | D | A | -1.8212 | |
| 200 | L | A | -0.4525 | |
| 201 | R | A | -1.7979 | |
| 202 | E | A | -2.7549 | |
| 203 | E | A | -2.1902 | |
| 204 | L | A | -0.0480 | |
| 205 | P | A | 0.1702 | |
| 206 | F | A | 1.3302 | |
| 207 | P | A | 0.5605 | |
| 208 | S | A | -0.1177 | |
| 209 | T | A | -0.7309 | |
| 210 | N | A | -1.6479 | |
| 211 | G | A | -1.2573 | |
| 212 | S | A | -0.8092 | |
| 213 | P | A | -0.4658 | |
| 214 | A | A | -0.5934 | |
| 215 | S | A | -1.2516 | |
| 216 | E | A | -2.1690 | |
| 217 | G | A | -1.7489 | |
| 218 | T | A | -0.8456 | |
| 219 | Q | A | 0.2850 | |
| 220 | I | A | 2.3922 | |
| 221 | L | A | 2.4794 | |
| 222 | I | A | 1.5305 | |
| 223 | K | A | -1.3259 | |
| 224 | K | A | -2.9680 | |
| 225 | E | A | -3.3903 | |
| 226 | P | A | -2.8436 | |
| 227 | D | A | -2.5703 | |
| 228 | H | A | -0.6904 | |
| 229 | V | A | 1.3844 | |
| 230 | V | A | 1.1551 | |
| 231 | E | A | -0.9931 | |
| 232 | K | A | -1.5555 | |
| 233 | I | A | 0.2840 | |
| 234 | K | A | -0.5232 | |
| 235 | V | A | 0.0531 | |
| 236 | E | A | -2.1804 | |
| 237 | E | A | -2.7439 | |
| 238 | T | A | -2.4163 | |
| 239 | K | A | -2.5503 | |
| 240 | Q | A | -2.0515 | |
| 241 | C | A | -1.4949 | |
| 242 | E | A | -2.6463 | |
| 243 | E | A | -2.7092 | |
| 244 | P | A | -1.5818 | |
| 245 | T | A | -1.3829 | |
| 246 | A | A | -1.3377 | |
| 247 | K | A | -2.3586 | |
| 248 | R | A | -2.2151 | |
| 249 | V | A | -0.3368 | |
| 250 | K | A | -1.9595 | |
| 251 | A | A | -1.5637 | |
| 252 | E | A | -1.9807 | |
| 253 | S | A | -0.5722 | |
| 254 | L | A | 0.8763 | |
| 255 | S | A | 0.0033 | |
| 256 | P | A | -1.1471 | |
| 257 | D | A | -2.4891 | |
| 258 | H | A | -2.2822 | |
| 259 | S | A | -1.5943 | |
| 260 | S | A | -1.6824 | |
| 261 | R | A | -2.8065 | |
| 262 | P | A | -2.4333 | |
| 263 | K | A | -3.1385 | |
| 264 | Q | A | -2.8806 | |
| 265 | T | A | -2.2302 | |
| 266 | D | A | -3.0863 | |
| 267 | T | A | -2.4573 | |
| 268 | K | A | -3.1170 | |
| 269 | Q | A | -2.6745 | |
| 270 | D | A | -1.9606 | |
| 271 | T | A | -0.8111 | |
| 272 | L | A | 0.0946 | |
| 273 | S | A | 0.5648 | |
| 274 | Y | A | 1.0431 | |
| 275 | P | A | 0.3296 | |
| 276 | P | A | 0.2443 | |
| 277 | L | A | 0.6851 | |
| 278 | P | A | 0.6739 | |
| 279 | L | A | 1.5292 | |
| 280 | K | A | 0.6859 | |
| 281 | P | A | 0.9023 | |
| 282 | F | A | 2.1574 | |
| 283 | P | A | 1.4540 | |
| 284 | P | A | 1.2207 | |
| 285 | V | A | 2.3816 | |
| 286 | L | A | 1.7509 | |
| 287 | S | A | 0.6189 | |
| 288 | M | A | 0.4689 | |
| 289 | E | A | -1.1595 | |
| 290 | V | A | 0.0000 | |
| 291 | A | A | -0.0758 | |
| 292 | S | A | -0.3463 | |
| 293 | Y | A | -0.2010 | |
| 294 | N | A | -0.2734 | |
| 295 | I | A | 0.3936 | |
| 296 | P | A | 0.0000 | |
| 297 | G | A | -2.0448 | |
| 298 | R | A | -2.5814 | |
| 299 | P | A | 0.0000 | |
| 300 | K | A | -3.0144 | |
| 301 | V | A | 0.0000 | |
| 302 | D | A | -1.9129 | |
| 303 | L | A | -0.4029 | |
| 304 | A | A | -0.0640 | |
| 305 | F | A | 0.0661 | |
| 306 | I | A | -0.3329 | |
| 307 | K | A | -2.0263 | |
| 308 | N | A | -2.0114 | |
| 309 | P | A | -1.3956 | |
| 310 | A | A | -1.0988 | |
| 311 | T | A | -0.3836 | |
| 312 | L | A | 0.0000 | |
| 313 | S | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | L | A | 0.2610 | |
| 316 | W | A | 0.0000 | |
| 317 | D | A | -1.8132 | |
| 318 | V | A | -2.3923 | |
| 319 | E | A | -3.8514 | |
| 320 | D | A | -4.2582 | |
| 321 | K | A | -3.5811 | |
| 322 | G | A | -2.6114 | |
| 323 | Q | A | -2.2915 | |
| 324 | P | A | -1.3260 | |
| 325 | A | A | -0.8421 | |
| 326 | P | A | 0.0000 | |
| 327 | P | A | -0.5496 | |
| 328 | M | A | -0.3602 | |
| 329 | D | A | -1.3785 | |
| 330 | R | A | -1.3299 | |
| 331 | Y | A | 0.0000 | |
| 332 | C | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | F | A | 0.0000 | |
| 335 | I | A | 0.0000 | |
| 336 | T | A | 0.0000 | |
| 337 | T | A | -0.4432 | |
| 338 | E | A | 0.0000 | |
| 339 | N | A | -0.7516 | |
| 340 | V | A | 0.4288 | |
| 341 | K | A | -1.4273 | |
| 342 | G | A | -0.8500 | |
| 343 | S | A | -0.0195 | |
| 344 | G | A | 0.2177 | |
| 345 | V | A | 1.2955 | |
| 346 | F | A | 0.0000 | |
| 347 | P | A | 0.0310 | |
| 348 | S | A | -0.1156 | |
| 349 | W | A | 0.1212 | |
| 350 | T | A | 0.0299 | |
| 351 | A | A | -0.1665 | |
| 352 | L | A | -0.0656 | |
| 353 | G | A | -0.8378 | |
| 354 | E | A | -1.9385 | |
| 355 | V | A | -0.4456 | |
| 356 | A | A | -0.1719 | |
| 357 | A | A | 0.2058 | |
| 358 | I | A | 1.8921 | |
| 359 | P | A | 0.8779 | |
| 360 | L | A | 0.7836 | |
| 361 | P | A | 0.2781 | |
| 362 | M | A | 0.0000 | |
| 363 | C | A | 0.9753 | |
| 364 | V | A | 1.3116 | |
| 365 | M | A | 1.2871 | |
| 366 | L | A | 0.0000 | |
| 367 | S | A | -0.8746 | |
| 368 | K | A | -1.9070 | |
| 369 | Y | A | -1.5239 | |
| 370 | K | A | -2.5513 | |
| 371 | P | A | -2.1313 | |
| 372 | G | A | -1.7124 | |
| 373 | H | A | -1.7636 | |
| 374 | K | A | -1.0095 | |
| 375 | V | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | G | A | 0.0000 | |
| 382 | K | A | -1.1121 | |
| 383 | D | A | 0.0000 | |
| 384 | K | A | -1.9449 | |
| 385 | F | A | -0.4560 | |
| 386 | G | A | -0.0044 | |
| 387 | R | A | 0.0000 | |
| 388 | Y | A | 0.3176 | |
| 389 | G | A | -0.0549 | |
| 390 | P | A | -0.6211 | |
| 391 | Y | A | -0.7126 | |
| 392 | S | A | 0.0000 | |
| 393 | K | A | -2.0755 | |
| 394 | V | A | -0.5756 | |
| 395 | V | A | -0.7338 | |
| 396 | S | A | -0.6127 | |
| 397 | K | A | -0.8507 | |
| 398 | A | A | -1.0839 | |
| 399 | I | A | 0.0000 | |
| 400 | P | A | -1.5354 | |
| 401 | E | A | -2.2160 |
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