| Chain sequence(s) |
A: SDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGIIGGHEAKPHSRPYMAYLMIWDQKSLKRCGGFLIQDDFVLTAAHCWGSSINVTLGAHNIKEQEPTQQFIPVKRPIPHPAYNPKNFSNDIMLLQLERKAKRTRAVQPLRLPSNKAQVKPGQTCSVAGWGQTAPLGKHSHTLQEVKMTVQEDRKCESDLRHYYDSTIELCVGDPEIKKTSFKGDSGGPLVCNKVAQGIVSYGRNNGMPPRACTKVSSFVHWIKKTMKRY
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 (00:05:12)
[INFO] Main: Simulation completed successfully. (00:05:14)
|
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 | |
| 63 | S | A | -1.3374 | |
| 64 | D | A | -2.8572 | |
| 65 | Q | A | -3.0144 | |
| 66 | E | A | -3.1131 | |
| 67 | A | A | -1.9778 | |
| 68 | K | A | -2.2458 | |
| 69 | P | A | -1.2212 | |
| 70 | S | A | -1.1408 | |
| 71 | T | A | -1.3377 | |
| 72 | E | A | -2.4628 | |
| 73 | D | A | -2.2918 | |
| 74 | L | A | -0.7181 | |
| 75 | G | A | -1.8047 | |
| 76 | D | A | -3.3577 | |
| 77 | K | A | -3.8046 | |
| 78 | K | A | -4.2076 | |
| 79 | E | A | -3.8129 | |
| 80 | G | A | -2.3086 | |
| 81 | E | A | -2.2450 | |
| 82 | Y | A | -1.0320 | |
| 83 | I | A | 0.0000 | |
| 84 | K | A | -3.1661 | |
| 85 | L | A | 0.0000 | |
| 86 | K | A | -2.1779 | |
| 87 | V | A | 0.0000 | |
| 88 | I | A | -1.1874 | |
| 89 | G | A | 0.0000 | |
| 90 | Q | A | -2.5038 | |
| 91 | D | A | -2.7018 | |
| 92 | S | A | -1.9797 | |
| 93 | S | A | -1.7332 | |
| 94 | E | A | -2.3152 | |
| 95 | I | A | -1.1926 | |
| 96 | H | A | -1.9934 | |
| 97 | F | A | -1.5863 | |
| 98 | K | A | -2.4368 | |
| 99 | V | A | 0.0000 | |
| 100 | K | A | -1.4184 | |
| 101 | M | A | -1.9286 | |
| 102 | T | A | -1.1449 | |
| 103 | T | A | -1.1886 | |
| 104 | H | A | -2.5720 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.3890 | |
| 107 | K | A | -3.3220 | |
| 108 | L | A | 0.0000 | |
| 109 | K | A | 0.0000 | |
| 110 | E | A | -3.5361 | |
| 111 | S | A | -2.5447 | |
| 112 | Y | A | 0.0000 | |
| 113 | C | A | 0.0000 | |
| 114 | Q | A | -2.8750 | |
| 115 | R | A | -3.0867 | |
| 116 | Q | A | -2.3435 | |
| 117 | G | A | -1.5868 | |
| 118 | V | A | -1.0311 | |
| 119 | P | A | -0.8875 | |
| 120 | M | A | -1.3363 | |
| 121 | N | A | -1.7925 | |
| 122 | S | A | -1.3661 | |
| 123 | L | A | -1.1990 | |
| 124 | R | A | -1.8260 | |
| 125 | F | A | 0.0000 | |
| 126 | L | A | -1.8070 | |
| 127 | F | A | 0.0000 | |
| 128 | E | A | -2.7137 | |
| 129 | G | A | -2.4734 | |
| 130 | Q | A | -2.9553 | |
| 131 | R | A | -3.0974 | |
| 132 | I | A | 0.0000 | |
| 133 | A | A | -2.0661 | |
| 134 | D | A | -3.3497 | |
| 135 | N | A | -2.8853 | |
| 136 | H | A | -2.4097 | |
| 137 | T | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | -3.1242 | |
| 140 | E | A | -2.7936 | |
| 141 | L | A | -1.8314 | |
| 142 | G | A | -1.9032 | |
| 143 | M | A | 0.0000 | |
| 144 | E | A | -3.5453 | |
| 145 | E | A | -4.0462 | |
| 146 | E | A | -3.9858 | |
| 147 | D | A | -2.8154 | |
| 148 | V | A | -1.5786 | |
| 149 | I | A | 0.0000 | |
| 150 | E | A | -1.7755 | |
| 151 | V | A | 0.0000 | |
| 152 | Y | A | -0.9360 | |
| 153 | Q | A | -1.9219 | |
| 154 | E | A | -1.7677 | |
| 155 | Q | A | -2.2068 | |
| 156 | T | A | -1.5187 | |
| 157 | G | A | -1.4761 | |
| 158 | G | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | I | A | -0.7615 | |
| 161 | G | A | -1.2903 | |
| 162 | G | A | -1.5127 | |
| 163 | H | A | -2.4260 | |
| 164 | E | A | -2.5022 | |
| 165 | A | A | 0.0000 | |
| 166 | K | A | -2.3819 | |
| 167 | P | A | -1.4484 | |
| 168 | H | A | -1.3488 | |
| 169 | S | A | -1.2994 | |
| 170 | R | A | -1.4404 | |
| 171 | P | A | -1.2597 | |
| 172 | Y | A | 0.0000 | |
| 173 | M | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | M | A | -0.2773 | |
| 178 | I | A | 0.0000 | |
| 179 | W | A | -0.4327 | |
| 180 | D | A | -1.5666 | |
| 181 | Q | A | -2.2087 | |
| 182 | K | A | -2.3909 | |
| 183 | S | A | -1.3347 | |
| 184 | L | A | -0.3727 | |
| 185 | K | A | -1.1725 | |
| 186 | R | A | -1.3974 | |
| 187 | C | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | Q | A | -1.9873 | |
| 194 | D | A | -2.4992 | |
| 195 | D | A | -2.4133 | |
| 196 | F | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | H | A | 0.1385 | |
| 203 | C | A | 0.0000 | |
| 204 | W | A | 0.8445 | |
| 205 | G | A | 0.0078 | |
| 206 | S | A | -0.5638 | |
| 207 | S | A | -0.5001 | |
| 208 | I | A | 0.0000 | |
| 209 | N | A | -0.1061 | |
| 210 | V | A | 0.0000 | |
| 211 | T | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | H | A | 0.0000 | |
| 216 | N | A | -1.6779 | |
| 217 | I | A | -1.6783 | |
| 218 | K | A | -3.0040 | |
| 219 | E | A | -3.4203 | |
| 220 | Q | A | -2.6545 | |
| 221 | E | A | -1.7138 | |
| 222 | P | A | -0.9215 | |
| 223 | T | A | -0.6185 | |
| 224 | Q | A | -0.3552 | |
| 225 | Q | A | 0.2517 | |
| 226 | F | A | 1.3595 | |
| 227 | I | A | 0.0000 | |
| 228 | P | A | -1.1450 | |
| 229 | V | A | -1.9709 | |
| 230 | K | A | -3.5350 | |
| 231 | R | A | -2.8163 | |
| 232 | P | A | -1.0393 | |
| 233 | I | A | -0.2645 | |
| 234 | P | A | -0.1060 | |
| 235 | H | A | -0.2077 | |
| 236 | P | A | -0.2784 | |
| 237 | A | A | -0.1424 | |
| 238 | Y | A | -0.3777 | |
| 239 | N | A | -0.9267 | |
| 240 | P | A | -1.2028 | |
| 241 | K | A | -1.8100 | |
| 242 | N | A | -0.9638 | |
| 243 | F | A | -0.2770 | |
| 244 | S | A | -0.3126 | |
| 245 | N | A | -0.3396 | |
| 246 | D | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | M | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | Q | A | -1.9689 | |
| 252 | L | A | 0.0000 | |
| 253 | E | A | -3.7695 | |
| 254 | R | A | -3.3166 | |
| 255 | K | A | -3.6889 | |
| 256 | A | A | 0.0000 | |
| 257 | K | A | -3.5633 | |
| 258 | R | A | -3.6423 | |
| 259 | T | A | -2.3946 | |
| 260 | R | A | -2.6590 | |
| 261 | A | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | Q | A | -2.3055 | |
| 264 | P | A | -1.5400 | |
| 265 | L | A | 0.0000 | |
| 266 | R | A | -2.2555 | |
| 267 | L | A | -1.2360 | |
| 268 | P | A | 0.0000 | |
| 269 | S | A | -1.4801 | |
| 270 | N | A | -1.8413 | |
| 271 | K | A | -2.3484 | |
| 272 | A | A | -1.8220 | |
| 273 | Q | A | -2.1452 | |
| 274 | V | A | -1.6873 | |
| 275 | K | A | -2.4545 | |
| 276 | P | A | -1.9877 | |
| 277 | G | A | -1.5100 | |
| 278 | Q | A | -1.5171 | |
| 279 | T | A | -1.2688 | |
| 280 | C | A | 0.0000 | |
| 281 | S | A | -1.1088 | |
| 282 | V | A | 0.0000 | |
| 283 | A | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | W | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | Q | A | -1.1588 | |
| 288 | T | A | -0.8389 | |
| 289 | A | A | -0.5198 | |
| 290 | P | A | -0.3931 | |
| 291 | L | A | 0.6339 | |
| 292 | G | A | -0.5376 | |
| 293 | K | A | -1.8848 | |
| 294 | H | A | -1.5587 | |
| 295 | S | A | 0.0000 | |
| 296 | H | A | -1.9299 | |
| 297 | T | A | -1.5415 | |
| 298 | L | A | 0.0000 | |
| 299 | Q | A | 0.0000 | |
| 300 | E | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | K | A | -1.8747 | |
| 303 | M | A | 0.0000 | |
| 304 | T | A | -1.1542 | |
| 305 | V | A | 0.0000 | |
| 306 | Q | A | -1.9969 | |
| 307 | E | A | -2.9349 | |
| 308 | D | A | -3.1899 | |
| 309 | R | A | -3.7315 | |
| 310 | K | A | -2.9634 | |
| 311 | C | A | 0.0000 | |
| 312 | E | A | -3.9825 | |
| 313 | S | A | -2.8098 | |
| 314 | D | A | -2.2928 | |
| 315 | L | A | 0.0000 | |
| 316 | R | A | -2.7491 | |
| 317 | H | A | -2.0258 | |
| 318 | Y | A | -0.7934 | |
| 319 | Y | A | 0.0000 | |
| 320 | D | A | -1.2083 | |
| 321 | S | A | -1.2258 | |
| 322 | T | A | -0.4211 | |
| 323 | I | A | -0.2436 | |
| 324 | E | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | C | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | D | A | -1.3348 | |
| 330 | P | A | -1.4950 | |
| 331 | E | A | -1.9856 | |
| 332 | I | A | -0.8066 | |
| 333 | K | A | -2.0764 | |
| 334 | K | A | -1.7723 | |
| 335 | T | A | 0.0000 | |
| 336 | S | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | K | A | -2.1142 | |
| 339 | G | A | -1.4272 | |
| 340 | D | A | 0.0000 | |
| 341 | S | A | -0.5762 | |
| 342 | G | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | C | A | 0.0000 | |
| 348 | N | A | -2.1047 | |
| 349 | K | A | -2.6055 | |
| 350 | V | A | -1.5728 | |
| 351 | A | A | 0.0000 | |
| 352 | Q | A | -0.8739 | |
| 353 | G | A | 0.0000 | |
| 354 | I | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | Y | A | -0.4318 | |
| 358 | G | A | -1.1396 | |
| 359 | R | A | -2.0174 | |
| 360 | N | A | -2.4886 | |
| 361 | N | A | -1.9875 | |
| 362 | G | A | 0.0000 | |
| 363 | M | A | -1.3881 | |
| 364 | P | A | 0.0000 | |
| 365 | P | A | 0.0000 | |
| 366 | R | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | C | A | 0.0000 | |
| 369 | T | A | 0.0000 | |
| 370 | K | A | -0.5749 | |
| 371 | V | A | 0.0000 | |
| 372 | S | A | 0.0000 | |
| 373 | S | A | -0.7651 | |
| 374 | F | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | H | A | -1.8946 | |
| 377 | W | A | -1.4387 | |
| 378 | I | A | 0.0000 | |
| 379 | K | A | -2.9733 | |
| 380 | K | A | -3.0911 | |
| 381 | T | A | 0.0000 | |
| 382 | M | A | -1.8743 | |
| 383 | K | A | -2.9227 | |
| 384 | R | A | -2.5339 | |
| 385 | Y | A | -0.4883 |
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