| Chain sequence(s) |
A: MAGESWKVPTPVKDLAALVEEPPSQFVQREEDRPGSLMLAADMPDPLPIVDLDKMSTADEATKLRSALQTWGLFLATNHGIDVSLMEDLMKASREFFNQPLQERQKYSNLREGTRFQLEGYGSDPVIAQDHILDWSDRLQLKVEPEDERNLAQWPKHPESFRDLLHEYATKTKTVMVKILRAMAKTLELDEEDFIDQIGGRPQAYARFNYYPPCPRPELVLGIKAHSDGPLLTVLLVDREVGGLQIQRENKWFNVPSIPHALVINLGDSLEIMSNGIFKSPVHRVVTNAEKERISLAMLYAVQRDNVLEPAPGLLDEKRPAKYRRITEAHFLEGVKEHFSKGMRMIETLKI
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:06)
[INFO] Main: Simulation completed successfully. (00:10:08)
|
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 | 0.6957 | |
| 2 | A | A | 0.0320 | |
| 3 | G | A | -0.7289 | |
| 4 | E | A | -1.2834 | |
| 5 | S | A | -0.6328 | |
| 6 | W | A | -0.6357 | |
| 7 | K | A | -0.5327 | |
| 8 | V | A | 0.2984 | |
| 9 | P | A | 0.1362 | |
| 10 | T | A | -0.0171 | |
| 11 | P | A | -0.1684 | |
| 12 | V | A | 0.0000 | |
| 13 | K | A | -0.3699 | |
| 14 | D | A | 0.0161 | |
| 15 | L | A | 0.3088 | |
| 16 | A | A | -0.0920 | |
| 17 | A | A | 0.4956 | |
| 18 | L | A | 1.0975 | |
| 19 | V | A | -0.3786 | |
| 20 | E | A | -2.3142 | |
| 21 | E | A | -2.5716 | |
| 22 | P | A | 0.0000 | |
| 23 | P | A | -0.8445 | |
| 24 | S | A | -0.7799 | |
| 25 | Q | A | -1.0894 | |
| 26 | F | A | 0.0000 | |
| 27 | V | A | -0.9899 | |
| 28 | Q | A | 0.0000 | |
| 29 | R | A | -3.3114 | |
| 30 | E | A | -3.8735 | |
| 31 | E | A | -3.7596 | |
| 32 | D | A | -3.0184 | |
| 33 | R | A | -2.7700 | |
| 34 | P | A | -0.9771 | |
| 35 | G | A | -0.5572 | |
| 36 | S | A | 0.6873 | |
| 37 | L | A | 1.3314 | |
| 38 | M | A | 1.7702 | |
| 39 | L | A | 1.9191 | |
| 40 | A | A | 0.4841 | |
| 41 | A | A | -0.4798 | |
| 42 | D | A | -1.8058 | |
| 43 | M | A | 0.0000 | |
| 44 | P | A | -1.2233 | |
| 45 | D | A | -1.4369 | |
| 46 | P | A | -0.9039 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | -0.0251 | |
| 49 | I | A | 0.8539 | |
| 50 | V | A | 0.0000 | |
| 51 | D | A | -1.4337 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -3.0650 | |
| 54 | K | A | -2.7846 | |
| 55 | M | A | -1.9488 | |
| 56 | S | A | -1.3571 | |
| 57 | T | A | -1.2884 | |
| 58 | A | A | -1.1432 | |
| 59 | D | A | -2.2423 | |
| 60 | E | A | 0.0000 | |
| 61 | A | A | -1.4889 | |
| 62 | T | A | -1.2441 | |
| 63 | K | A | -1.2374 | |
| 64 | L | A | 0.0000 | |
| 65 | R | A | -1.5064 | |
| 66 | S | A | -0.9645 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.1594 | |
| 70 | T | A | -0.7683 | |
| 71 | W | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | T | A | -1.0059 | |
| 78 | N | A | -2.4652 | |
| 79 | H | A | -1.8151 | |
| 80 | G | A | -1.6474 | |
| 81 | I | A | 0.0000 | |
| 82 | D | A | -1.9300 | |
| 83 | V | A | -0.5942 | |
| 84 | S | A | -0.9938 | |
| 85 | L | A | 0.0000 | |
| 86 | M | A | 0.0000 | |
| 87 | E | A | -2.2340 | |
| 88 | D | A | -2.0392 | |
| 89 | L | A | 0.0000 | |
| 90 | M | A | -1.9217 | |
| 91 | K | A | -2.9373 | |
| 92 | A | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | R | A | -2.4149 | |
| 95 | E | A | -3.1226 | |
| 96 | F | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | N | A | -2.2919 | |
| 99 | Q | A | -2.2515 | |
| 100 | P | A | -1.5003 | |
| 101 | L | A | -1.5636 | |
| 102 | Q | A | -2.5245 | |
| 103 | E | A | -3.0699 | |
| 104 | R | A | 0.0000 | |
| 105 | Q | A | -2.5666 | |
| 106 | K | A | -2.7651 | |
| 107 | Y | A | -1.7601 | |
| 108 | S | A | -1.6116 | |
| 109 | N | A | 0.0000 | |
| 110 | L | A | -1.4702 | |
| 111 | R | A | -3.1885 | |
| 112 | E | A | -3.2019 | |
| 113 | G | A | -2.1296 | |
| 114 | T | A | -1.9704 | |
| 115 | R | A | -2.5760 | |
| 116 | F | A | -0.6493 | |
| 117 | Q | A | -0.3160 | |
| 118 | L | A | 0.5349 | |
| 119 | E | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | Y | A | 0.0000 | |
| 122 | G | A | -0.0824 | |
| 123 | S | A | -0.1090 | |
| 124 | D | A | -0.2299 | |
| 125 | P | A | 0.0789 | |
| 126 | V | A | 0.5157 | |
| 127 | I | A | 0.6898 | |
| 128 | A | A | -0.3635 | |
| 129 | Q | A | -1.9529 | |
| 130 | D | A | -2.1949 | |
| 131 | H | A | -1.1930 | |
| 132 | I | A | -0.8483 | |
| 133 | L | A | 0.0000 | |
| 134 | D | A | -0.3854 | |
| 135 | W | A | 0.0000 | |
| 136 | S | A | -0.2170 | |
| 137 | D | A | 0.0000 | |
| 138 | R | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | K | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | E | A | -1.5694 | |
| 145 | P | A | 0.0000 | |
| 146 | E | A | -3.1503 | |
| 147 | D | A | -3.0917 | |
| 148 | E | A | -2.2439 | |
| 149 | R | A | -1.8741 | |
| 150 | N | A | -1.4018 | |
| 151 | L | A | -0.2180 | |
| 152 | A | A | -0.4220 | |
| 153 | Q | A | -0.6615 | |
| 154 | W | A | 0.0000 | |
| 155 | P | A | 0.0000 | |
| 156 | K | A | -2.7397 | |
| 157 | H | A | -2.9965 | |
| 158 | P | A | -2.7258 | |
| 159 | E | A | -3.1540 | |
| 160 | S | A | -2.3408 | |
| 161 | F | A | 0.0000 | |
| 162 | R | A | -2.5586 | |
| 163 | D | A | -2.9131 | |
| 164 | L | A | -1.9733 | |
| 165 | L | A | 0.0000 | |
| 166 | H | A | -2.3020 | |
| 167 | E | A | -2.5348 | |
| 168 | Y | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | T | A | -1.4807 | |
| 171 | K | A | -1.7566 | |
| 172 | T | A | 0.0000 | |
| 173 | K | A | -0.8178 | |
| 174 | T | A | -0.6691 | |
| 175 | V | A | 0.0000 | |
| 176 | M | A | 0.0000 | |
| 177 | V | A | -0.4429 | |
| 178 | K | A | -1.0607 | |
| 179 | I | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | R | A | -2.6343 | |
| 182 | A | A | -1.9728 | |
| 183 | M | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | K | A | -3.5742 | |
| 186 | T | A | 0.0000 | |
| 187 | L | A | -1.6503 | |
| 188 | E | A | -2.8447 | |
| 189 | L | A | -3.0296 | |
| 190 | D | A | -3.8786 | |
| 191 | E | A | -3.9355 | |
| 192 | E | A | -3.8450 | |
| 193 | D | A | -3.4221 | |
| 194 | F | A | 0.0000 | |
| 195 | I | A | -2.0246 | |
| 196 | D | A | -2.6626 | |
| 197 | Q | A | -1.5113 | |
| 198 | I | A | 0.0000 | |
| 199 | G | A | -1.5836 | |
| 200 | G | A | -1.3222 | |
| 201 | R | A | -1.8485 | |
| 202 | P | A | -1.1494 | |
| 203 | Q | A | 0.0000 | |
| 204 | A | A | 0.0000 | |
| 205 | Y | A | 0.1536 | |
| 206 | A | A | 0.0000 | |
| 207 | R | A | -0.2180 | |
| 208 | F | A | 0.0000 | |
| 209 | N | A | 0.0000 | |
| 210 | Y | A | 0.0000 | |
| 211 | Y | A | 0.0000 | |
| 212 | P | A | 0.0000 | |
| 213 | P | A | -1.4064 | |
| 214 | C | A | 0.0000 | |
| 215 | P | A | -1.7360 | |
| 216 | R | A | -1.6166 | |
| 217 | P | A | -1.1291 | |
| 218 | E | A | -0.9379 | |
| 219 | L | A | -1.3300 | |
| 220 | V | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | I | A | -0.0486 | |
| 224 | K | A | -0.4530 | |
| 225 | A | A | -0.1756 | |
| 226 | H | A | -0.0466 | |
| 227 | S | A | -0.1088 | |
| 228 | D | A | -0.1138 | |
| 229 | G | A | 0.0000 | |
| 230 | P | A | 0.0122 | |
| 231 | L | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | L | A | 0.1823 | |
| 236 | L | A | 0.0000 | |
| 237 | V | A | -0.5545 | |
| 238 | D | A | 0.0000 | |
| 239 | R | A | -2.8441 | |
| 240 | E | A | -2.9258 | |
| 241 | V | A | 0.0000 | |
| 242 | G | A | -1.1787 | |
| 243 | G | A | -0.2671 | |
| 244 | L | A | 0.0000 | |
| 245 | Q | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | Q | A | -1.7969 | |
| 248 | R | A | -2.5740 | |
| 249 | E | A | -3.2912 | |
| 250 | N | A | -3.0799 | |
| 251 | K | A | -2.8455 | |
| 252 | W | A | -1.3963 | |
| 253 | F | A | 0.0000 | |
| 254 | N | A | -0.6759 | |
| 255 | V | A | 0.0000 | |
| 256 | P | A | -0.4807 | |
| 257 | S | A | -0.7686 | |
| 258 | I | A | 0.0069 | |
| 259 | P | A | -0.8231 | |
| 260 | H | A | -0.9035 | |
| 261 | A | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | N | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | D | A | 0.0000 | |
| 269 | S | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | E | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | S | A | 0.0000 | |
| 275 | N | A | 0.0000 | |
| 276 | G | A | 0.0000 | |
| 277 | I | A | -0.0497 | |
| 278 | F | A | 0.0000 | |
| 279 | K | A | -0.9431 | |
| 280 | S | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | V | A | -0.2896 | |
| 283 | H | A | 0.0000 | |
| 284 | R | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | T | A | 0.0000 | |
| 288 | N | A | -1.4304 | |
| 289 | A | A | -1.6538 | |
| 290 | E | A | -2.6411 | |
| 291 | K | A | -2.6845 | |
| 292 | E | A | -1.6942 | |
| 293 | R | A | 0.0000 | |
| 294 | I | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | M | A | 0.0000 | |
| 299 | L | A | 0.1264 | |
| 300 | Y | A | 0.0000 | |
| 301 | A | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | Q | A | -1.6851 | |
| 304 | R | A | -2.3151 | |
| 305 | D | A | -2.5463 | |
| 306 | N | A | -1.3618 | |
| 307 | V | A | -0.6846 | |
| 308 | L | A | 0.0000 | |
| 309 | E | A | -1.3229 | |
| 310 | P | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | P | A | -0.5113 | |
| 313 | G | A | -1.0867 | |
| 314 | L | A | 0.0000 | |
| 315 | L | A | -1.2619 | |
| 316 | D | A | -2.3876 | |
| 317 | E | A | -3.2690 | |
| 318 | K | A | -3.3685 | |
| 319 | R | A | -3.0466 | |
| 320 | P | A | -1.9581 | |
| 321 | A | A | -1.7924 | |
| 322 | K | A | -1.8683 | |
| 323 | Y | A | 0.0000 | |
| 324 | R | A | -2.5034 | |
| 325 | R | A | -2.5173 | |
| 326 | I | A | -1.2876 | |
| 327 | T | A | -1.1406 | |
| 328 | E | A | 0.0000 | |
| 329 | A | A | -1.6679 | |
| 330 | H | A | -1.8087 | |
| 331 | F | A | 0.0000 | |
| 332 | L | A | -1.7510 | |
| 333 | E | A | -3.0276 | |
| 334 | G | A | -2.1841 | |
| 335 | V | A | -1.8896 | |
| 336 | K | A | -3.0940 | |
| 337 | E | A | -3.1142 | |
| 338 | H | A | -1.9570 | |
| 339 | F | A | -1.3121 | |
| 340 | S | A | -1.4622 | |
| 341 | K | A | -2.0253 | |
| 342 | G | A | -1.1308 | |
| 343 | M | A | -0.6966 | |
| 344 | R | A | -1.0728 | |
| 345 | M | A | -1.2723 | |
| 346 | I | A | 0.0000 | |
| 347 | E | A | -1.9835 | |
| 348 | T | A | -1.2077 | |
| 349 | L | A | 0.0000 | |
| 350 | K | A | -1.8018 | |
| 351 | I | A | 0.2675 |
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