| Chain sequence(s) |
A: AIEVDLDSPDSIKSAASSIAYDMMSYYTGNQTGGIPGNLPAPYYWWEAGAMFGSLIDYWYYTGDSSYNDVTTEAMLWQTGPDYDYMTPNQTKTEGNDDQGFWGLAAMSAAEVNFPNPPSNRPQWLALAQAVFNTQAPRWDDSTCAGGLRWQIFTFNNGYNYKNSISNGCFFNLGARLAKYTGNDTYAQWADRTWDWMEHVGLMDEKYYVYDGSDDTLNCTKLNHIQWTYNAGAFLLGAANMYNYTNGSEIWRGRVEGLLNATHVFFEDNVMMEVACENNGKCNIDQQSFKAYLARWLAATTKMAPFTYDAVMQLLRPSAKGAAASCVGGDNGRTCGLNWRTGQFDGFYGVGEQMSALEVIQSNLIAQVAGPVTNTTGGTSKGNPTAGSGKSPNSYQ
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:33)
[INFO] Main: Simulation completed successfully. (00:04:36)
|
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 | -0.4039 | |
| 2 | I | A | 0.0000 | |
| 3 | E | A | -2.2590 | |
| 4 | V | A | -2.3776 | |
| 5 | D | A | -3.0788 | |
| 6 | L | A | 0.0000 | |
| 7 | D | A | -2.6506 | |
| 8 | S | A | -2.1757 | |
| 9 | P | A | -2.1076 | |
| 10 | D | A | -2.6220 | |
| 11 | S | A | -2.3150 | |
| 12 | I | A | 0.0000 | |
| 13 | K | A | -1.6098 | |
| 14 | S | A | -1.4818 | |
| 15 | A | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | S | A | -0.1216 | |
| 18 | S | A | 0.0980 | |
| 19 | I | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | Y | A | 1.2773 | |
| 22 | D | A | 0.0000 | |
| 23 | M | A | 0.0000 | |
| 24 | M | A | 0.5502 | |
| 25 | S | A | 0.2547 | |
| 26 | Y | A | 0.2510 | |
| 27 | Y | A | 0.0000 | |
| 28 | T | A | -0.7224 | |
| 29 | G | A | 0.0000 | |
| 30 | N | A | -1.7685 | |
| 31 | Q | A | -1.7993 | |
| 32 | T | A | -1.0179 | |
| 33 | G | A | -0.7727 | |
| 34 | G | A | -0.5578 | |
| 35 | I | A | 0.8483 | |
| 36 | P | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | N | A | 0.2480 | |
| 39 | L | A | 0.0000 | |
| 40 | P | A | 0.1568 | |
| 41 | A | A | 0.0820 | |
| 42 | P | A | 0.1121 | |
| 43 | Y | A | 0.5308 | |
| 44 | Y | A | 0.9866 | |
| 45 | W | A | 0.0000 | |
| 46 | W | A | 0.0000 | |
| 47 | E | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | M | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | D | A | -0.0988 | |
| 58 | Y | A | 0.0000 | |
| 59 | W | A | -0.2261 | |
| 60 | Y | A | -0.0378 | |
| 61 | Y | A | 0.0000 | |
| 62 | T | A | -0.9879 | |
| 63 | G | A | -0.7913 | |
| 64 | D | A | -0.9657 | |
| 65 | S | A | -0.9254 | |
| 66 | S | A | -0.6168 | |
| 67 | Y | A | -0.3995 | |
| 68 | N | A | -1.1644 | |
| 69 | D | A | -1.9872 | |
| 70 | V | A | -1.1802 | |
| 71 | T | A | 0.0000 | |
| 72 | T | A | -0.9431 | |
| 73 | E | A | -0.9460 | |
| 74 | A | A | 0.0000 | |
| 75 | M | A | 0.0000 | |
| 76 | L | A | 0.3275 | |
| 77 | W | A | 1.2453 | |
| 78 | Q | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | G | A | -0.5477 | |
| 81 | P | A | -0.9735 | |
| 82 | D | A | -2.3569 | |
| 83 | Y | A | -0.6374 | |
| 84 | D | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | M | A | -0.4101 | |
| 87 | T | A | -0.6455 | |
| 88 | P | A | -1.1468 | |
| 89 | N | A | -1.7519 | |
| 90 | Q | A | -1.2403 | |
| 91 | T | A | -1.0083 | |
| 92 | K | A | -1.8003 | |
| 93 | T | A | -0.9531 | |
| 94 | E | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | N | A | 0.0000 | |
| 97 | D | A | -0.1099 | |
| 98 | D | A | 0.0000 | |
| 99 | Q | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | M | A | 0.0000 | |
| 108 | S | A | -0.0430 | |
| 109 | A | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | 0.0000 | |
| 112 | V | A | -0.0141 | |
| 113 | N | A | -0.6661 | |
| 114 | F | A | 0.0000 | |
| 115 | P | A | -1.1564 | |
| 116 | N | A | -1.9123 | |
| 117 | P | A | 0.0000 | |
| 118 | P | A | -1.4123 | |
| 119 | S | A | -1.8919 | |
| 120 | N | A | -2.4439 | |
| 121 | R | A | -2.3360 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.4967 | |
| 124 | W | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | Q | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | N | A | -0.5060 | |
| 134 | T | A | -0.3663 | |
| 135 | Q | A | 0.0000 | |
| 136 | A | A | -0.2738 | |
| 137 | P | A | -0.5070 | |
| 138 | R | A | -0.7316 | |
| 139 | W | A | -0.7487 | |
| 140 | D | A | -1.3067 | |
| 141 | D | A | -2.0121 | |
| 142 | S | A | -1.2735 | |
| 143 | T | A | -1.0781 | |
| 144 | C | A | 0.0000 | |
| 145 | A | A | -0.9926 | |
| 146 | G | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | R | A | -0.0503 | |
| 150 | W | A | 0.2807 | |
| 151 | Q | A | 0.0000 | |
| 152 | I | A | 0.4959 | |
| 153 | F | A | 0.6634 | |
| 154 | T | A | 0.8687 | |
| 155 | F | A | 1.5396 | |
| 156 | N | A | 0.0000 | |
| 157 | N | A | -0.9404 | |
| 158 | G | A | -0.2840 | |
| 159 | Y | A | 0.2529 | |
| 160 | N | A | -0.6437 | |
| 161 | Y | A | -0.1363 | |
| 162 | K | A | 0.0000 | |
| 163 | N | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | N | A | 0.0000 | |
| 168 | G | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | N | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | R | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | K | A | -0.8927 | |
| 180 | Y | A | 0.0000 | |
| 181 | T | A | -1.1159 | |
| 182 | G | A | -1.3187 | |
| 183 | N | A | -1.6574 | |
| 184 | D | A | -2.0297 | |
| 185 | T | A | -1.3978 | |
| 186 | Y | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | Q | A | -2.2242 | |
| 189 | W | A | -1.5250 | |
| 190 | A | A | 0.0000 | |
| 191 | D | A | -2.5194 | |
| 192 | R | A | -2.4735 | |
| 193 | T | A | 0.0000 | |
| 194 | W | A | 0.0000 | |
| 195 | D | A | -3.0936 | |
| 196 | W | A | 0.0000 | |
| 197 | M | A | 0.0000 | |
| 198 | E | A | -2.6270 | |
| 199 | H | A | -2.0458 | |
| 200 | V | A | -1.2875 | |
| 201 | G | A | -1.4237 | |
| 202 | L | A | 0.0000 | |
| 203 | M | A | 0.0000 | |
| 204 | D | A | -2.1506 | |
| 205 | E | A | -2.9616 | |
| 206 | K | A | -2.7688 | |
| 207 | Y | A | -1.7569 | |
| 208 | Y | A | -0.9651 | |
| 209 | V | A | 0.0000 | |
| 210 | Y | A | -0.1222 | |
| 211 | D | A | -0.1601 | |
| 212 | G | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | D | A | -0.8479 | |
| 215 | D | A | 0.0000 | |
| 216 | T | A | -0.1989 | |
| 217 | L | A | -0.0670 | |
| 218 | N | A | -1.2037 | |
| 219 | C | A | 0.0000 | |
| 220 | T | A | -0.9515 | |
| 221 | K | A | -1.8504 | |
| 222 | L | A | -0.8569 | |
| 223 | N | A | -0.9455 | |
| 224 | H | A | -0.8310 | |
| 225 | I | A | 0.5271 | |
| 226 | Q | A | 0.2746 | |
| 227 | W | A | 0.0000 | |
| 228 | T | A | 0.0000 | |
| 229 | Y | A | 0.0000 | |
| 230 | N | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | G | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | N | A | 0.0000 | |
| 241 | M | A | 0.0000 | |
| 242 | Y | A | -0.7183 | |
| 243 | N | A | -0.9443 | |
| 244 | Y | A | -0.6443 | |
| 245 | T | A | -0.7808 | |
| 246 | N | A | -1.5971 | |
| 247 | G | A | -1.2634 | |
| 248 | S | A | -1.0476 | |
| 249 | E | A | -1.5628 | |
| 250 | I | A | 0.5640 | |
| 251 | W | A | 0.0000 | |
| 252 | R | A | -1.5582 | |
| 253 | G | A | -1.1308 | |
| 254 | R | A | -1.1064 | |
| 255 | V | A | 0.0000 | |
| 256 | E | A | -1.8780 | |
| 257 | G | A | -1.9110 | |
| 258 | L | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | N | A | -2.0465 | |
| 261 | A | A | 0.0000 | |
| 262 | T | A | 0.0000 | |
| 263 | H | A | -1.5141 | |
| 264 | V | A | -0.2681 | |
| 265 | F | A | 0.0000 | |
| 266 | F | A | -1.0492 | |
| 267 | E | A | -2.2236 | |
| 268 | D | A | -2.6368 | |
| 269 | N | A | -1.9904 | |
| 270 | V | A | -1.4303 | |
| 271 | M | A | 0.0000 | |
| 272 | M | A | 0.0000 | |
| 273 | E | A | 0.0000 | |
| 274 | V | A | 0.3824 | |
| 275 | A | A | -0.1096 | |
| 276 | C | A | 0.0000 | |
| 277 | E | A | 0.0000 | |
| 278 | N | A | -2.1572 | |
| 279 | N | A | -2.5421 | |
| 280 | G | A | -2.4552 | |
| 281 | K | A | -2.7759 | |
| 282 | C | A | 0.0000 | |
| 283 | N | A | -1.4863 | |
| 284 | I | A | -0.1426 | |
| 285 | D | A | -0.3195 | |
| 286 | Q | A | -0.7418 | |
| 287 | Q | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | K | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | Y | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | R | A | 0.0000 | |
| 296 | W | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | A | A | -0.1116 | |
| 300 | T | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | K | A | -0.3976 | |
| 303 | M | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | P | A | -0.2719 | |
| 306 | F | A | -0.1275 | |
| 307 | T | A | 0.0000 | |
| 308 | Y | A | -0.4428 | |
| 309 | D | A | -1.7328 | |
| 310 | A | A | -1.2313 | |
| 311 | V | A | 0.0000 | |
| 312 | M | A | 0.0000 | |
| 313 | Q | A | -1.7157 | |
| 314 | L | A | -1.3485 | |
| 315 | L | A | 0.0000 | |
| 316 | R | A | -1.4406 | |
| 317 | P | A | -1.3845 | |
| 318 | S | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | K | A | -1.9988 | |
| 321 | G | A | -1.1678 | |
| 322 | A | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | A | A | -0.9172 | |
| 325 | S | A | 0.0000 | |
| 326 | C | A | 0.0000 | |
| 327 | V | A | -0.2345 | |
| 328 | G | A | 0.0000 | |
| 329 | G | A | -1.2183 | |
| 330 | D | A | -2.2449 | |
| 331 | N | A | -1.5073 | |
| 332 | G | A | -0.9887 | |
| 333 | R | A | -0.9787 | |
| 334 | T | A | 0.0000 | |
| 335 | C | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | N | A | -0.9013 | |
| 339 | W | A | 0.0000 | |
| 340 | R | A | -1.4058 | |
| 341 | T | A | -0.9176 | |
| 342 | G | A | -1.1326 | |
| 343 | Q | A | -1.3232 | |
| 344 | F | A | -0.3972 | |
| 345 | D | A | -1.0000 | |
| 346 | G | A | -0.4299 | |
| 347 | F | A | 0.6935 | |
| 348 | Y | A | 1.3713 | |
| 349 | G | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | G | A | 0.0000 | |
| 352 | E | A | 0.0000 | |
| 353 | Q | A | 0.0000 | |
| 354 | M | A | 0.0000 | |
| 355 | S | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | E | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | Q | A | 0.0000 | |
| 362 | S | A | 0.0000 | |
| 363 | N | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | A | A | -0.4370 | |
| 367 | Q | A | -1.0878 | |
| 368 | V | A | -0.3952 | |
| 369 | A | A | -0.1154 | |
| 370 | G | A | -0.1509 | |
| 371 | P | A | -0.1476 | |
| 372 | V | A | -0.2827 | |
| 373 | T | A | 0.0000 | |
| 374 | N | A | -1.5912 | |
| 375 | T | A | -0.7611 | |
| 376 | T | A | -0.5720 | |
| 377 | G | A | -0.8248 | |
| 378 | G | A | -1.0358 | |
| 379 | T | A | -1.2497 | |
| 380 | S | A | -1.6590 | |
| 381 | K | A | -2.3250 | |
| 382 | G | A | -1.4664 | |
| 383 | N | A | -0.8249 | |
| 384 | P | A | -0.7249 | |
| 385 | T | A | -0.7718 | |
| 386 | A | A | 0.0000 | |
| 387 | G | A | -1.1602 | |
| 388 | S | A | -1.3545 | |
| 389 | G | A | -1.8048 | |
| 390 | K | A | -2.6300 | |
| 391 | S | A | -2.0143 | |
| 392 | P | A | -2.1071 | |
| 393 | N | A | -2.4774 | |
| 394 | S | A | -1.6452 | |
| 395 | Y | A | -1.7358 | |
| 396 | Q | A | -2.0981 |
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