| Chain sequence(s) |
A: ADLGHQTLGSNDGWGAYSTGTTGGSKASSSNVYTVSNRNQLVSALGKETNTTPKIIYIKGTIDMNVDDNLKPLGLNDYKDPEYDLDKYLKAYDPSTWGKKEPSGTQEEARARSQKNQKARVMVDIPANTTIVGSGTNAKVVGGNFQIKSDNVIIRNIEFQDAYDYFPQWDPTDGSSGNWNSQYDNITINGGTHIWIDHCTFNDGSRPDSTSPKYYGRKYQHHDGQTDASNGANYITMSYNYYHDHDKSSIFGSSDSKTSDDGKLKITLHHNRYKNIVQRAPRVRFGQVHVYNNYYEGSTSSSSYPFSYAWGIGKSSKIYAQNNVIDVPGLSAAKTISVFSGGTALYDSGTLLNGTQINASAANGLSSSVGWTPSLHGSIDASANVKSNVINQAGAGKLN
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 (00:04:02)
[INFO] Main: Simulation completed successfully. (00:04:04)
|
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 | A | A | -1.0691 | |
| 2 | D | A | -2.1891 | |
| 3 | L | A | 0.0000 | |
| 4 | G | A | 0.0000 | |
| 5 | H | A | -1.4858 | |
| 6 | Q | A | -1.2888 | |
| 7 | T | A | -0.6328 | |
| 8 | L | A | 0.0000 | |
| 9 | G | A | -1.0983 | |
| 10 | S | A | -1.0528 | |
| 11 | N | A | -1.6729 | |
| 12 | D | A | -1.2246 | |
| 13 | G | A | 0.0000 | |
| 14 | W | A | -0.0200 | |
| 15 | G | A | 0.0000 | |
| 16 | A | A | -0.2791 | |
| 17 | Y | A | 0.3683 | |
| 18 | S | A | 0.0952 | |
| 19 | T | A | -0.0437 | |
| 20 | G | A | -0.2590 | |
| 21 | T | A | 0.0000 | |
| 22 | T | A | -0.6110 | |
| 23 | G | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | S | A | -1.3277 | |
| 26 | K | A | -2.0070 | |
| 27 | A | A | -1.1025 | |
| 28 | S | A | -0.7804 | |
| 29 | S | A | -0.4697 | |
| 30 | S | A | -0.2770 | |
| 31 | N | A | -0.3518 | |
| 32 | V | A | 0.4767 | |
| 33 | Y | A | 0.4446 | |
| 34 | T | A | -0.2295 | |
| 35 | V | A | 0.0000 | |
| 36 | S | A | -1.2245 | |
| 37 | N | A | -1.0002 | |
| 38 | R | A | 0.0000 | |
| 39 | N | A | -1.4509 | |
| 40 | Q | A | -0.9274 | |
| 41 | L | A | 0.0000 | |
| 42 | V | A | -0.2738 | |
| 43 | S | A | -0.5689 | |
| 44 | A | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | G | A | -1.5947 | |
| 47 | K | A | -2.9228 | |
| 48 | E | A | -3.2290 | |
| 49 | T | A | -1.7447 | |
| 50 | N | A | -1.6560 | |
| 51 | T | A | -1.0775 | |
| 52 | T | A | -0.5681 | |
| 53 | P | A | -0.7597 | |
| 54 | K | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | Y | A | -0.1035 | |
| 58 | I | A | 0.0000 | |
| 59 | K | A | -2.1509 | |
| 60 | G | A | -1.5934 | |
| 61 | T | A | -1.1459 | |
| 62 | I | A | 0.0000 | |
| 63 | D | A | -0.9998 | |
| 64 | M | A | 0.0000 | |
| 65 | N | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | D | A | -2.3097 | |
| 68 | D | A | -2.9290 | |
| 69 | N | A | -2.6558 | |
| 70 | L | A | -1.9554 | |
| 71 | K | A | -2.4692 | |
| 72 | P | A | -1.6675 | |
| 73 | L | A | -1.1118 | |
| 74 | G | A | -0.9487 | |
| 75 | L | A | -0.6141 | |
| 76 | N | A | -2.0234 | |
| 77 | D | A | -2.5490 | |
| 78 | Y | A | 0.0000 | |
| 79 | K | A | -2.3420 | |
| 80 | D | A | -2.3474 | |
| 81 | P | A | -1.9586 | |
| 82 | E | A | -2.8918 | |
| 83 | Y | A | 0.0000 | |
| 84 | D | A | -2.9353 | |
| 85 | L | A | -1.8845 | |
| 86 | D | A | -3.2246 | |
| 87 | K | A | -3.6443 | |
| 88 | Y | A | 0.0000 | |
| 89 | L | A | -1.9296 | |
| 90 | K | A | -2.7794 | |
| 91 | A | A | -1.6965 | |
| 92 | Y | A | 0.0000 | |
| 93 | D | A | -1.3318 | |
| 94 | P | A | -1.3250 | |
| 95 | S | A | -0.8566 | |
| 96 | T | A | -0.7787 | |
| 97 | W | A | -1.3028 | |
| 98 | G | A | -1.7976 | |
| 99 | K | A | -3.1597 | |
| 100 | K | A | -3.3679 | |
| 101 | E | A | -3.1898 | |
| 102 | P | A | 0.0000 | |
| 103 | S | A | -1.5681 | |
| 104 | G | A | -1.1523 | |
| 105 | T | A | -1.4902 | |
| 106 | Q | A | 0.0000 | |
| 107 | E | A | -1.9467 | |
| 108 | E | A | -2.4715 | |
| 109 | A | A | 0.0000 | |
| 110 | R | A | 0.0000 | |
| 111 | A | A | -1.6161 | |
| 112 | R | A | -2.2034 | |
| 113 | S | A | 0.0000 | |
| 114 | Q | A | -2.0304 | |
| 115 | K | A | -2.7708 | |
| 116 | N | A | -2.5355 | |
| 117 | Q | A | 0.0000 | |
| 118 | K | A | -2.0682 | |
| 119 | A | A | -1.2324 | |
| 120 | R | A | -1.1377 | |
| 121 | V | A | 0.0000 | |
| 122 | M | A | -0.4919 | |
| 123 | V | A | 0.0000 | |
| 124 | D | A | -1.7422 | |
| 125 | I | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | A | A | -1.1936 | |
| 128 | N | A | -0.8108 | |
| 129 | T | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | I | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | S | A | -1.2964 | |
| 135 | G | A | -1.5019 | |
| 136 | T | A | -1.6789 | |
| 137 | N | A | -2.0410 | |
| 138 | A | A | 0.0000 | |
| 139 | K | A | -1.2745 | |
| 140 | V | A | 0.0000 | |
| 141 | V | A | -0.2338 | |
| 142 | G | A | 0.0000 | |
| 143 | G | A | 0.0000 | |
| 144 | N | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | Q | A | -0.8795 | |
| 147 | I | A | 0.0000 | |
| 148 | K | A | -2.3932 | |
| 149 | S | A | -1.7090 | |
| 150 | D | A | -1.1939 | |
| 151 | N | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | I | A | 0.0000 | |
| 155 | R | A | 0.0000 | |
| 156 | N | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | E | A | -0.6836 | |
| 159 | F | A | 0.0000 | |
| 160 | Q | A | -0.4715 | |
| 161 | D | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | Y | A | -0.1370 | |
| 164 | D | A | 0.0000 | |
| 165 | Y | A | -0.0155 | |
| 166 | F | A | 0.0000 | |
| 167 | P | A | 0.0000 | |
| 168 | Q | A | -1.0084 | |
| 169 | W | A | 0.0000 | |
| 170 | D | A | -1.9943 | |
| 171 | P | A | 0.0000 | |
| 172 | T | A | -2.0333 | |
| 173 | D | A | -1.9283 | |
| 174 | G | A | -1.1448 | |
| 175 | S | A | -0.7853 | |
| 176 | S | A | -1.1070 | |
| 177 | G | A | 0.0000 | |
| 178 | N | A | -1.4055 | |
| 179 | W | A | 0.0000 | |
| 180 | N | A | -1.2809 | |
| 181 | S | A | 0.0000 | |
| 182 | Q | A | -1.2102 | |
| 183 | Y | A | 0.0000 | |
| 184 | D | A | 0.0000 | |
| 185 | N | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | T | A | -0.4548 | |
| 188 | I | A | 0.0000 | |
| 189 | N | A | -1.3034 | |
| 190 | G | A | -1.4119 | |
| 191 | G | A | 0.0000 | |
| 192 | T | A | -0.7280 | |
| 193 | H | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | W | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | D | A | 0.0000 | |
| 198 | H | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | F | A | 0.0000 | |
| 202 | N | A | 0.0000 | |
| 203 | D | A | 0.0000 | |
| 204 | G | A | -0.6556 | |
| 205 | S | A | -0.6450 | |
| 206 | R | A | -0.8019 | |
| 207 | P | A | -0.6967 | |
| 208 | D | A | 0.0000 | |
| 209 | S | A | -0.5450 | |
| 210 | T | A | -0.6319 | |
| 211 | S | A | -0.8124 | |
| 212 | P | A | -1.2989 | |
| 213 | K | A | -2.2292 | |
| 214 | Y | A | -1.0513 | |
| 215 | Y | A | -0.6785 | |
| 216 | G | A | -1.2887 | |
| 217 | R | A | -1.7771 | |
| 218 | K | A | -1.9220 | |
| 219 | Y | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | H | A | -0.5476 | |
| 222 | H | A | 0.0000 | |
| 223 | D | A | -0.9802 | |
| 224 | G | A | 0.0000 | |
| 225 | Q | A | 0.0000 | |
| 226 | T | A | 0.0000 | |
| 227 | D | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | S | A | -1.0106 | |
| 230 | N | A | -1.5543 | |
| 231 | G | A | -1.4807 | |
| 232 | A | A | 0.0000 | |
| 233 | N | A | 0.0000 | |
| 234 | Y | A | 0.1102 | |
| 235 | I | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | S | A | 0.0000 | |
| 239 | Y | A | -0.1383 | |
| 240 | N | A | 0.0000 | |
| 241 | Y | A | 0.0339 | |
| 242 | Y | A | 0.0000 | |
| 243 | H | A | -0.7728 | |
| 244 | D | A | -0.9914 | |
| 245 | H | A | 0.0000 | |
| 246 | D | A | -0.7408 | |
| 247 | K | A | -0.7651 | |
| 248 | S | A | 0.0000 | |
| 249 | S | A | 0.0000 | |
| 250 | I | A | -0.1687 | |
| 251 | F | A | 0.0000 | |
| 252 | G | A | 0.0000 | |
| 253 | S | A | -0.7008 | |
| 254 | S | A | -0.9796 | |
| 255 | D | A | -1.2598 | |
| 256 | S | A | -1.0369 | |
| 257 | K | A | -1.7455 | |
| 258 | T | A | -1.6209 | |
| 259 | S | A | -1.4801 | |
| 260 | D | A | 0.0000 | |
| 261 | D | A | -2.5041 | |
| 262 | G | A | -1.6639 | |
| 263 | K | A | -1.7260 | |
| 264 | L | A | 0.0000 | |
| 265 | K | A | -0.6219 | |
| 266 | I | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | H | A | 0.0000 | |
| 270 | H | A | 0.0000 | |
| 271 | N | A | 0.0000 | |
| 272 | R | A | -0.3644 | |
| 273 | Y | A | 0.0000 | |
| 274 | K | A | -1.0036 | |
| 275 | N | A | -1.0005 | |
| 276 | I | A | 0.0000 | |
| 277 | V | A | -0.5040 | |
| 278 | Q | A | -0.5404 | |
| 279 | R | A | -0.5589 | |
| 280 | A | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | R | A | -0.2941 | |
| 283 | V | A | 0.0000 | |
| 284 | R | A | -1.1031 | |
| 285 | F | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | Q | A | -0.8765 | |
| 288 | V | A | 0.0000 | |
| 289 | H | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | Y | A | 0.0000 | |
| 292 | N | A | 0.0000 | |
| 293 | N | A | 0.0000 | |
| 294 | Y | A | 0.0000 | |
| 295 | Y | A | 0.0000 | |
| 296 | E | A | -0.9621 | |
| 297 | G | A | -0.7543 | |
| 298 | S | A | -0.6247 | |
| 299 | T | A | -0.4348 | |
| 300 | S | A | -0.4281 | |
| 301 | S | A | -0.4283 | |
| 302 | S | A | -0.4304 | |
| 303 | S | A | -0.5354 | |
| 304 | Y | A | 0.0000 | |
| 305 | P | A | -0.5015 | |
| 306 | F | A | 0.0000 | |
| 307 | S | A | -0.5960 | |
| 308 | Y | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | W | A | 0.0000 | |
| 311 | G | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | K | A | -0.9701 | |
| 315 | S | A | -1.0829 | |
| 316 | S | A | 0.0000 | |
| 317 | K | A | -0.6647 | |
| 318 | I | A | 0.0000 | |
| 319 | Y | A | -0.0225 | |
| 320 | A | A | 0.0000 | |
| 321 | Q | A | -0.2806 | |
| 322 | N | A | -0.5937 | |
| 323 | N | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | D | A | -1.0855 | |
| 327 | V | A | 0.0000 | |
| 328 | P | A | -0.8123 | |
| 329 | G | A | -0.7288 | |
| 330 | L | A | -0.8303 | |
| 331 | S | A | -0.8238 | |
| 332 | A | A | -1.0156 | |
| 333 | A | A | -1.1542 | |
| 334 | K | A | -1.7062 | |
| 335 | T | A | 0.0000 | |
| 336 | I | A | 0.0000 | |
| 337 | S | A | -0.0371 | |
| 338 | V | A | 0.7085 | |
| 339 | F | A | 0.4959 | |
| 340 | S | A | -0.3003 | |
| 341 | G | A | -0.7240 | |
| 342 | G | A | -0.2541 | |
| 343 | T | A | -0.3156 | |
| 344 | A | A | -0.3122 | |
| 345 | L | A | 0.0000 | |
| 346 | Y | A | -0.0234 | |
| 347 | D | A | 0.0000 | |
| 348 | S | A | -0.5891 | |
| 349 | G | A | -0.7450 | |
| 350 | T | A | 0.0000 | |
| 351 | L | A | -0.8859 | |
| 352 | L | A | 0.0000 | |
| 353 | N | A | -1.3384 | |
| 354 | G | A | -1.0853 | |
| 355 | T | A | -1.0075 | |
| 356 | Q | A | -1.5413 | |
| 357 | I | A | -0.9954 | |
| 358 | N | A | -1.3142 | |
| 359 | A | A | 0.0000 | |
| 360 | S | A | 0.0000 | |
| 361 | A | A | -0.5265 | |
| 362 | A | A | -0.7662 | |
| 363 | N | A | -0.8310 | |
| 364 | G | A | -0.6009 | |
| 365 | L | A | -0.1244 | |
| 366 | S | A | -0.3047 | |
| 367 | S | A | -0.4586 | |
| 368 | S | A | -0.4235 | |
| 369 | V | A | 0.0000 | |
| 370 | G | A | -0.5532 | |
| 371 | W | A | -0.2354 | |
| 372 | T | A | -0.1583 | |
| 373 | P | A | -0.1260 | |
| 374 | S | A | -0.3470 | |
| 375 | L | A | -0.5047 | |
| 376 | H | A | -0.9830 | |
| 377 | G | A | -0.9178 | |
| 378 | S | A | -0.4058 | |
| 379 | I | A | 0.0802 | |
| 380 | D | A | -0.4949 | |
| 381 | A | A | -0.4034 | |
| 382 | S | A | -0.7931 | |
| 383 | A | A | -0.8138 | |
| 384 | N | A | -1.4399 | |
| 385 | V | A | 0.0000 | |
| 386 | K | A | -1.6193 | |
| 387 | S | A | -1.3224 | |
| 388 | N | A | -1.3466 | |
| 389 | V | A | 0.0000 | |
| 390 | I | A | -0.5269 | |
| 391 | N | A | -1.6561 | |
| 392 | Q | A | -1.2370 | |
| 393 | A | A | 0.0000 | |
| 394 | G | A | 0.0000 | |
| 395 | A | A | -0.9416 | |
| 396 | G | A | -1.4739 | |
| 397 | K | A | -1.8512 | |
| 398 | L | A | -1.0945 | |
| 399 | N | A | -1.9347 |
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