| Chain sequence(s) |
A: MNGEGDQQDAAHNMGNHLPLLPRESEEEDEMEREDQDFKEAKKRRIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKFRTFAVLAYSNVQEREAQFGTTIEIYAYREEQDFGIEIVKVKAICRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPHSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYFLYDAETLMDRIKKQLREWDENLKDDSLPSNPIFFSYRVAACLPIDDVLRIQLLKIGSAIQCLRCELDIMNKCTSLCCKQCQETEITTKNWIFSCSLCGPMAAFVNWHGEVHNWLEVYKACNLNLIGRPSTEHSWFPGYAWTVAQCKICYSHIGWMFTATKKDMSPQKFWGLWRWALLPTIPDTEDEISPDKVILCL
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 (00:08:15)
[INFO] Main: Simulation completed successfully. (00:08:18)
|
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 | 0.3290 | |
| 2 | N | A | -1.4231 | |
| 3 | G | A | -2.1221 | |
| 4 | E | A | -3.0952 | |
| 5 | G | A | -2.9588 | |
| 6 | D | A | -3.6438 | |
| 7 | Q | A | -3.4125 | |
| 8 | Q | A | -3.2287 | |
| 9 | D | A | -3.1809 | |
| 10 | A | A | -1.8369 | |
| 11 | A | A | -1.3000 | |
| 12 | H | A | -1.6902 | |
| 13 | N | A | -1.9283 | |
| 14 | M | A | -0.5528 | |
| 15 | G | A | -1.2272 | |
| 16 | N | A | -1.6999 | |
| 17 | H | A | -1.1042 | |
| 18 | L | A | 0.4718 | |
| 19 | P | A | 0.8912 | |
| 20 | L | A | 1.8403 | |
| 21 | L | A | 1.5590 | |
| 22 | P | A | -0.5251 | |
| 23 | R | A | -2.5524 | |
| 24 | E | A | -3.0360 | |
| 25 | S | A | -2.8696 | |
| 26 | E | A | -4.0773 | |
| 27 | E | A | -4.3076 | |
| 28 | E | A | -4.3040 | |
| 29 | D | A | -4.2482 | |
| 30 | E | A | -3.5719 | |
| 31 | M | A | -1.8763 | |
| 32 | E | A | -3.6257 | |
| 33 | R | A | -4.0940 | |
| 34 | E | A | -4.5628 | |
| 35 | D | A | -4.0586 | |
| 36 | Q | A | -3.2492 | |
| 37 | D | A | -2.8307 | |
| 38 | F | A | -0.6724 | |
| 39 | K | A | -2.4292 | |
| 40 | E | A | -3.1702 | |
| 41 | A | A | -2.6721 | |
| 42 | K | A | -3.7689 | |
| 43 | K | A | -3.6087 | |
| 44 | R | A | -2.9304 | |
| 45 | R | A | -1.7549 | |
| 46 | I | A | 0.4536 | |
| 47 | I | A | -0.0421 | |
| 48 | N | A | -1.0842 | |
| 49 | F | A | -1.0022 | |
| 50 | D | A | -1.6013 | |
| 51 | T | A | -0.3475 | |
| 52 | S | A | 0.0857 | |
| 53 | L | A | 0.1876 | |
| 54 | P | A | 0.0000 | |
| 55 | T | A | 0.4706 | |
| 56 | S | A | 0.2524 | |
| 57 | H | A | 0.0000 | |
| 58 | T | A | -0.0337 | |
| 59 | Y | A | 0.2022 | |
| 60 | L | A | 0.0000 | |
| 61 | G | A | -0.6427 | |
| 62 | A | A | -1.0605 | |
| 63 | D | A | -2.5116 | |
| 64 | M | A | -2.3879 | |
| 65 | E | A | -3.1389 | |
| 66 | E | A | -2.9689 | |
| 67 | F | A | -1.7215 | |
| 68 | H | A | -1.8176 | |
| 69 | G | A | -1.6409 | |
| 70 | R | A | -1.8330 | |
| 71 | T | A | -0.5071 | |
| 72 | L | A | -0.3447 | |
| 73 | H | A | -1.5200 | |
| 74 | D | A | -2.9513 | |
| 75 | D | A | -3.5330 | |
| 76 | D | A | -3.0792 | |
| 77 | S | A | -1.8692 | |
| 78 | C | A | -0.2313 | |
| 79 | Q | A | 0.2201 | |
| 80 | V | A | 1.1403 | |
| 81 | I | A | 0.0000 | |
| 82 | P | A | -0.2399 | |
| 83 | V | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | P | A | -0.4750 | |
| 86 | Q | A | -0.8915 | |
| 87 | V | A | 0.0000 | |
| 88 | M | A | 0.4888 | |
| 89 | M | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | P | A | 0.0000 | |
| 94 | G | A | -0.0805 | |
| 95 | Q | A | -0.2875 | |
| 96 | T | A | -0.0683 | |
| 97 | L | A | 0.0000 | |
| 98 | P | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | Q | A | -0.5561 | |
| 101 | L | A | 0.0000 | |
| 102 | F | A | 0.0338 | |
| 103 | H | A | -0.9107 | |
| 104 | P | A | -0.8695 | |
| 105 | Q | A | -1.2859 | |
| 106 | E | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | S | A | -1.4099 | |
| 109 | M | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | R | A | -2.3885 | |
| 112 | N | A | -2.0747 | |
| 113 | L | A | 0.0000 | |
| 114 | I | A | -1.0947 | |
| 115 | Q | A | -2.0870 | |
| 116 | K | A | -1.7067 | |
| 117 | F | A | 0.5644 | |
| 118 | R | A | -0.3949 | |
| 119 | T | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | Y | A | -0.4986 | |
| 126 | S | A | -0.3566 | |
| 127 | N | A | -0.8938 | |
| 128 | V | A | 0.0433 | |
| 129 | Q | A | -1.9520 | |
| 130 | E | A | -3.1104 | |
| 131 | R | A | -3.5727 | |
| 132 | E | A | -3.4165 | |
| 133 | A | A | 0.0000 | |
| 134 | Q | A | -1.8589 | |
| 135 | F | A | -0.6607 | |
| 136 | G | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | E | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | Y | A | -0.9249 | |
| 143 | A | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | R | A | -2.0783 | |
| 146 | E | A | -1.9713 | |
| 147 | E | A | -1.6218 | |
| 148 | Q | A | -1.6340 | |
| 149 | D | A | -0.7836 | |
| 150 | F | A | 1.1598 | |
| 151 | G | A | 0.2438 | |
| 152 | I | A | 0.5941 | |
| 153 | E | A | -0.9569 | |
| 154 | I | A | -0.9686 | |
| 155 | V | A | 0.0000 | |
| 156 | K | A | -0.5501 | |
| 157 | V | A | 0.0000 | |
| 158 | K | A | -0.5506 | |
| 159 | A | A | 0.0000 | |
| 160 | I | A | 0.0920 | |
| 161 | C | A | 0.0000 | |
| 162 | R | A | -0.7117 | |
| 163 | Q | A | -0.7279 | |
| 164 | R | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.0211 | |
| 167 | V | A | 0.0000 | |
| 168 | L | A | -0.0530 | |
| 169 | E | A | -1.4438 | |
| 170 | L | A | -1.2354 | |
| 171 | R | A | -2.2040 | |
| 172 | T | A | -1.7402 | |
| 173 | Q | A | -1.8828 | |
| 174 | S | A | -1.6589 | |
| 175 | D | A | -2.3344 | |
| 176 | G | A | -1.7269 | |
| 177 | I | A | 0.0000 | |
| 178 | Q | A | -1.5597 | |
| 179 | Q | A | -1.0800 | |
| 180 | A | A | 0.0000 | |
| 181 | K | A | -0.5537 | |
| 182 | V | A | 0.0000 | |
| 183 | Q | A | -1.0362 | |
| 184 | I | A | 0.0000 | |
| 185 | L | A | -1.5159 | |
| 186 | P | A | -1.4715 | |
| 187 | E | A | -0.3137 | |
| 188 | C | A | 1.2660 | |
| 189 | V | A | 2.0778 | |
| 190 | L | A | 1.3689 | |
| 191 | P | A | 0.4218 | |
| 192 | S | A | 0.0604 | |
| 193 | T | A | 0.0818 | |
| 194 | M | A | 0.0000 | |
| 195 | S | A | -0.2475 | |
| 196 | A | A | 0.1561 | |
| 197 | V | A | 0.4537 | |
| 198 | Q | A | 0.0312 | |
| 199 | L | A | -0.0188 | |
| 200 | E | A | -1.7856 | |
| 201 | S | A | -1.0342 | |
| 202 | L | A | -0.7966 | |
| 203 | N | A | -1.4308 | |
| 204 | K | A | -1.5390 | |
| 205 | C | A | -0.3791 | |
| 206 | Q | A | -0.2863 | |
| 207 | I | A | 1.2467 | |
| 208 | F | A | 0.4554 | |
| 209 | P | A | 0.0940 | |
| 210 | S | A | -0.5063 | |
| 211 | K | A | -1.0910 | |
| 212 | P | A | -1.5145 | |
| 213 | H | A | -2.1624 | |
| 214 | S | A | -2.5215 | |
| 215 | R | A | -3.6290 | |
| 216 | E | A | -3.7907 | |
| 217 | D | A | -3.4497 | |
| 218 | Q | A | -2.4972 | |
| 219 | C | A | -1.8826 | |
| 220 | S | A | -2.0271 | |
| 221 | Y | A | -0.8305 | |
| 222 | K | A | -2.0411 | |
| 223 | W | A | 0.0000 | |
| 224 | W | A | -1.3816 | |
| 225 | Q | A | -2.2982 | |
| 226 | K | A | -2.8817 | |
| 227 | Y | A | 0.0000 | |
| 228 | Q | A | -2.2461 | |
| 229 | K | A | -3.1450 | |
| 230 | R | A | -2.5612 | |
| 231 | K | A | -1.6148 | |
| 232 | F | A | 0.0000 | |
| 233 | H | A | -1.4327 | |
| 234 | C | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | N | A | -0.4978 | |
| 237 | L | A | 1.0546 | |
| 238 | T | A | 0.5813 | |
| 239 | S | A | 0.3498 | |
| 240 | W | A | 1.1214 | |
| 241 | P | A | 0.4648 | |
| 242 | R | A | -0.4733 | |
| 243 | W | A | 1.1620 | |
| 244 | L | A | 1.2931 | |
| 245 | Y | A | 1.0193 | |
| 246 | F | A | 0.6526 | |
| 247 | L | A | 1.0136 | |
| 248 | Y | A | 0.9025 | |
| 249 | D | A | 0.0000 | |
| 250 | A | A | -0.5625 | |
| 251 | E | A | -1.2854 | |
| 252 | T | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | M | A | -1.2266 | |
| 255 | D | A | -1.4766 | |
| 256 | R | A | -1.9030 | |
| 257 | I | A | 0.0000 | |
| 258 | K | A | -2.6110 | |
| 259 | K | A | -2.9254 | |
| 260 | Q | A | -2.6409 | |
| 261 | L | A | 0.0000 | |
| 262 | R | A | -4.5449 | |
| 263 | E | A | -3.9836 | |
| 264 | W | A | 0.0000 | |
| 265 | D | A | -2.8925 | |
| 266 | E | A | -3.8619 | |
| 267 | N | A | -2.9361 | |
| 268 | L | A | -3.1232 | |
| 269 | K | A | -4.0182 | |
| 270 | D | A | -4.0140 | |
| 271 | D | A | -3.2921 | |
| 272 | S | A | -1.8926 | |
| 273 | L | A | -1.4447 | |
| 274 | P | A | -0.6239 | |
| 275 | S | A | -1.1046 | |
| 276 | N | A | -0.8310 | |
| 277 | P | A | -0.0133 | |
| 278 | I | A | 0.8516 | |
| 279 | F | A | 1.3997 | |
| 280 | F | A | 0.0000 | |
| 281 | S | A | 0.0000 | |
| 282 | Y | A | 0.5522 | |
| 283 | R | A | 0.1436 | |
| 284 | V | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | A | A | 0.0000 | |
| 287 | C | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | -0.0002 | |
| 290 | I | A | 0.0000 | |
| 291 | D | A | 0.3442 | |
| 292 | D | A | 0.0000 | |
| 293 | V | A | 1.5365 | |
| 294 | L | A | 1.0031 | |
| 295 | R | A | 0.0000 | |
| 296 | I | A | 0.2175 | |
| 297 | Q | A | -0.0772 | |
| 298 | L | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | K | A | -1.5251 | |
| 301 | I | A | -0.5869 | |
| 302 | G | A | -0.2857 | |
| 303 | S | A | 0.2641 | |
| 304 | A | A | 0.4649 | |
| 305 | I | A | 0.0000 | |
| 306 | Q | A | -0.0808 | |
| 307 | C | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | R | A | -0.1859 | |
| 310 | C | A | 0.0000 | |
| 311 | E | A | 0.0000 | |
| 312 | L | A | -0.9405 | |
| 313 | D | A | -0.9166 | |
| 314 | I | A | 0.0000 | |
| 315 | M | A | 0.0000 | |
| 316 | N | A | -1.7563 | |
| 317 | K | A | -1.3018 | |
| 318 | C | A | -0.5743 | |
| 319 | T | A | -0.6575 | |
| 320 | S | A | -0.4311 | |
| 321 | L | A | 0.0000 | |
| 322 | C | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | K | A | -2.1113 | |
| 325 | Q | A | -1.7599 | |
| 326 | C | A | -1.4658 | |
| 327 | Q | A | -2.8003 | |
| 328 | E | A | -2.7309 | |
| 329 | T | A | 0.0000 | |
| 330 | E | A | -1.8101 | |
| 331 | I | A | 0.0000 | |
| 332 | T | A | 0.0000 | |
| 333 | T | A | -0.8110 | |
| 334 | K | A | -1.0798 | |
| 335 | N | A | -1.7321 | |
| 336 | W | A | -1.0223 | |
| 337 | I | A | 0.0000 | |
| 338 | F | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | C | A | 0.0000 | |
| 341 | S | A | 0.0000 | |
| 342 | L | A | 1.2902 | |
| 343 | C | A | 0.7714 | |
| 344 | G | A | 0.4349 | |
| 345 | P | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | A | A | 0.1550 | |
| 348 | A | A | 0.0000 | |
| 349 | F | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | N | A | -0.7199 | |
| 352 | W | A | -0.6954 | |
| 353 | H | A | -0.8755 | |
| 354 | G | A | 0.0000 | |
| 355 | E | A | -1.2829 | |
| 356 | V | A | -0.5028 | |
| 357 | H | A | -0.1967 | |
| 358 | N | A | 0.0000 | |
| 359 | W | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | E | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | Y | A | -0.9085 | |
| 364 | K | A | -1.4336 | |
| 365 | A | A | -0.6749 | |
| 366 | C | A | -1.2265 | |
| 367 | N | A | -1.2027 | |
| 368 | L | A | -0.6575 | |
| 369 | N | A | -0.8121 | |
| 370 | L | A | -0.0226 | |
| 371 | I | A | 0.7981 | |
| 372 | G | A | -0.5285 | |
| 373 | R | A | -1.7613 | |
| 374 | P | A | -1.0868 | |
| 375 | S | A | -1.3348 | |
| 376 | T | A | -1.5030 | |
| 377 | E | A | -2.3277 | |
| 378 | H | A | -1.7817 | |
| 379 | S | A | -1.0947 | |
| 380 | W | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | P | A | -0.6371 | |
| 383 | G | A | -0.5629 | |
| 384 | Y | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | W | A | -0.6538 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | 0.4162 | |
| 389 | A | A | 0.0000 | |
| 390 | Q | A | 0.2488 | |
| 391 | C | A | 0.0000 | |
| 392 | K | A | -0.3812 | |
| 393 | I | A | 0.9799 | |
| 394 | C | A | 0.8696 | |
| 395 | Y | A | 1.1260 | |
| 396 | S | A | 0.1633 | |
| 397 | H | A | -0.1140 | |
| 398 | I | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | W | A | 0.5190 | |
| 401 | M | A | 0.0000 | |
| 402 | F | A | 0.0000 | |
| 403 | T | A | -1.0570 | |
| 404 | A | A | -1.8722 | |
| 405 | T | A | -1.8110 | |
| 406 | K | A | -3.2666 | |
| 407 | K | A | -3.6094 | |
| 408 | D | A | -3.4379 | |
| 409 | M | A | -2.2226 | |
| 410 | S | A | -1.2328 | |
| 411 | P | A | 0.0000 | |
| 412 | Q | A | -2.3927 | |
| 413 | K | A | -1.4898 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.2032 | |
| 416 | G | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | W | A | 0.2267 | |
| 419 | R | A | 0.0000 | |
| 420 | W | A | 0.0237 | |
| 421 | A | A | -0.4781 | |
| 422 | L | A | 0.0000 | |
| 423 | L | A | -0.8397 | |
| 424 | P | A | -0.3488 | |
| 425 | T | A | -0.8007 | |
| 426 | I | A | -0.5781 | |
| 427 | P | A | -1.1554 | |
| 428 | D | A | -2.6612 | |
| 429 | T | A | -2.5580 | |
| 430 | E | A | -3.4006 | |
| 431 | D | A | -3.4660 | |
| 432 | E | A | -2.5957 | |
| 433 | I | A | -0.4334 | |
| 434 | S | A | -0.9812 | |
| 435 | P | A | -1.1409 | |
| 436 | D | A | -1.8228 | |
| 437 | K | A | -1.3654 | |
| 438 | V | A | 0.6332 | |
| 439 | I | A | 0.7894 | |
| 440 | L | A | 1.3040 | |
| 441 | C | A | 1.8219 | |
| 442 | L | A | 1.8832 |
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