| Chain sequence(s) |
A: MGQKEQIHTLQKNSERMSKQLTRSSQAVAAATVNAEENAQMNSACVNSSCIKGQLQAAACEEQSQVRFQRSPWPLTFEPSAGIFAAARLKYESQKSKSNYAAVGNDGGFPSSAAAMNTEEAANTMVNFYTSVAPVLRGQPAAASGFITSALQYSFSSAGEAPFYLWGSAAAMTLKKTLVTSKLPLITCYEGAKPGLAAARLRRSWPPSFLSKFRALQFSLMLCAAAAGSVLAAYGNVIVATLNYRLGVLGFLAAARAQDTESYLSREDFYNSLASRKGSVAAAKWFIKAVKRHHSTVSNEALVPKQDLAAADVRPWMQALRYTVYQNQLLEKIKEQAAARNLVFSIDLGPFSFPFYLQRIIRLSAAASPSVCLVLNWEELCNNGSEILAYNIAAAMELSRRICLVQLWLLLLSFLLGFAAADNHLYVLHLFGECLFVAINGDHSESAAASGPSTEPETIVRHFSIMDFYSEKDIAAAYPYDVPDYA
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 (00:06:12)
[INFO] Main: Simulation completed successfully. (00:06:16)
|
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 | -0.4542 | |
| 2 | G | A | -1.6401 | |
| 3 | Q | A | -2.5532 | |
| 4 | K | A | -3.0251 | |
| 5 | E | A | -3.0009 | |
| 6 | Q | A | -2.1722 | |
| 7 | I | A | -0.9408 | |
| 8 | H | A | -2.3373 | |
| 9 | T | A | -1.6062 | |
| 10 | L | A | -0.7206 | |
| 11 | Q | A | -2.4298 | |
| 12 | K | A | -3.4038 | |
| 13 | N | A | -3.1946 | |
| 14 | S | A | -2.7677 | |
| 15 | E | A | -3.7420 | |
| 16 | R | A | -3.6338 | |
| 17 | M | A | -1.7785 | |
| 18 | S | A | -1.7799 | |
| 19 | K | A | -2.8275 | |
| 20 | Q | A | -2.2113 | |
| 21 | L | A | -0.3730 | |
| 22 | T | A | -1.3506 | |
| 23 | R | A | -2.3295 | |
| 24 | S | A | -0.9941 | |
| 25 | S | A | -0.5576 | |
| 26 | Q | A | -1.1504 | |
| 27 | A | A | -0.0788 | |
| 28 | V | A | 1.3352 | |
| 29 | A | A | 0.7009 | |
| 30 | A | A | 0.5635 | |
| 31 | A | A | 0.4306 | |
| 32 | T | A | 0.1994 | |
| 33 | V | A | 0.2239 | |
| 34 | N | A | -1.7881 | |
| 35 | A | A | -1.9038 | |
| 36 | E | A | -2.9449 | |
| 37 | E | A | -3.4344 | |
| 38 | N | A | -2.8535 | |
| 39 | A | A | -2.5066 | |
| 40 | Q | A | -2.3998 | |
| 41 | M | A | -0.8246 | |
| 42 | N | A | -1.0793 | |
| 43 | S | A | -0.3532 | |
| 44 | A | A | 0.2081 | |
| 45 | C | A | 0.8387 | |
| 46 | V | A | 1.3536 | |
| 47 | N | A | -0.2822 | |
| 48 | S | A | 0.1201 | |
| 49 | S | A | 0.5054 | |
| 50 | C | A | 1.1526 | |
| 51 | I | A | 1.2033 | |
| 52 | K | A | -1.0412 | |
| 53 | G | A | -0.9947 | |
| 54 | Q | A | -1.0040 | |
| 55 | L | A | 0.2631 | |
| 56 | Q | A | -0.6523 | |
| 57 | A | A | -0.0983 | |
| 58 | A | A | -0.2396 | |
| 59 | A | A | -0.2167 | |
| 60 | C | A | -0.6733 | |
| 61 | E | A | -2.6023 | |
| 62 | E | A | -3.4090 | |
| 63 | Q | A | -2.6861 | |
| 64 | S | A | -1.7517 | |
| 65 | Q | A | -1.3298 | |
| 66 | V | A | 0.4627 | |
| 67 | R | A | -0.9634 | |
| 68 | F | A | 0.2649 | |
| 69 | Q | A | -1.5344 | |
| 70 | R | A | -2.1731 | |
| 71 | S | A | -0.9977 | |
| 72 | P | A | -0.2880 | |
| 73 | W | A | 1.0396 | |
| 74 | P | A | 1.1866 | |
| 75 | L | A | 1.9883 | |
| 76 | T | A | 1.2126 | |
| 77 | F | A | 1.3069 | |
| 78 | E | A | -0.8874 | |
| 79 | P | A | -0.5699 | |
| 80 | S | A | -0.1449 | |
| 81 | A | A | 0.4930 | |
| 82 | G | A | 1.0345 | |
| 83 | I | A | 2.5084 | |
| 84 | F | A | 2.5724 | |
| 85 | A | A | 1.0533 | |
| 86 | A | A | 0.7551 | |
| 87 | A | A | 0.1421 | |
| 88 | R | A | -0.8658 | |
| 89 | L | A | -0.1075 | |
| 90 | K | A | -1.8742 | |
| 91 | Y | A | -1.3028 | |
| 92 | E | A | -2.3246 | |
| 93 | S | A | -2.3058 | |
| 94 | Q | A | -2.9328 | |
| 95 | K | A | -3.5668 | |
| 96 | S | A | -2.5765 | |
| 97 | K | A | -2.9963 | |
| 98 | S | A | -2.0618 | |
| 99 | N | A | -1.5694 | |
| 100 | Y | A | 0.4915 | |
| 101 | A | A | 0.5041 | |
| 102 | A | A | 0.8684 | |
| 103 | V | A | 1.5251 | |
| 104 | G | A | -0.5706 | |
| 105 | N | A | -2.1201 | |
| 106 | D | A | -2.8410 | |
| 107 | G | A | -1.4696 | |
| 108 | G | A | -0.1880 | |
| 109 | F | A | 1.4130 | |
| 110 | P | A | 0.5871 | |
| 111 | S | A | 0.0068 | |
| 112 | S | A | -0.1130 | |
| 113 | A | A | 0.0522 | |
| 114 | A | A | 0.1774 | |
| 115 | A | A | 0.1964 | |
| 116 | M | A | 0.0409 | |
| 117 | N | A | -1.3692 | |
| 118 | T | A | -1.6799 | |
| 119 | E | A | -2.8399 | |
| 120 | E | A | -2.3471 | |
| 121 | A | A | -1.1828 | |
| 122 | A | A | -1.1020 | |
| 123 | N | A | -1.4769 | |
| 124 | T | A | -0.1700 | |
| 125 | M | A | 1.3006 | |
| 126 | V | A | 1.7826 | |
| 127 | N | A | 0.7165 | |
| 128 | F | A | 2.5953 | |
| 129 | Y | A | 2.6242 | |
| 130 | T | A | 1.4549 | |
| 131 | S | A | 1.4405 | |
| 132 | V | A | 1.7946 | |
| 133 | A | A | 1.2796 | |
| 134 | P | A | 0.6483 | |
| 135 | V | A | 1.6203 | |
| 136 | L | A | 1.1001 | |
| 137 | R | A | -1.1468 | |
| 138 | G | A | -1.0677 | |
| 139 | Q | A | -1.3250 | |
| 140 | P | A | -0.9694 | |
| 141 | A | A | -0.4526 | |
| 142 | A | A | -0.2461 | |
| 143 | A | A | -0.1089 | |
| 144 | S | A | 0.3560 | |
| 145 | G | A | 1.1227 | |
| 146 | F | A | 2.9352 | |
| 147 | I | A | 3.0636 | |
| 148 | T | A | 1.6454 | |
| 149 | S | A | 0.9796 | |
| 150 | A | A | 0.9618 | |
| 151 | L | A | 1.5624 | |
| 152 | Q | A | 0.7686 | |
| 153 | Y | A | 1.5863 | |
| 154 | S | A | 1.2409 | |
| 155 | F | A | 1.3479 | |
| 156 | S | A | 0.3169 | |
| 157 | S | A | -0.1832 | |
| 158 | A | A | -0.5314 | |
| 159 | G | A | -1.1287 | |
| 160 | E | A | -1.6468 | |
| 161 | A | A | 0.1114 | |
| 162 | P | A | 0.9352 | |
| 163 | F | A | 2.8019 | |
| 164 | Y | A | 3.1869 | |
| 165 | L | A | 3.1289 | |
| 166 | W | A | 2.2746 | |
| 167 | G | A | 0.5662 | |
| 168 | S | A | 0.2588 | |
| 169 | A | A | 0.4071 | |
| 170 | A | A | 0.5402 | |
| 171 | A | A | 0.4772 | |
| 172 | M | A | 0.5939 | |
| 173 | T | A | 0.3356 | |
| 174 | L | A | 1.0367 | |
| 175 | K | A | -0.6265 | |
| 176 | K | A | -0.9597 | |
| 177 | T | A | 0.3764 | |
| 178 | L | A | 1.5576 | |
| 179 | V | A | 1.5905 | |
| 180 | T | A | 0.4286 | |
| 181 | S | A | 0.2957 | |
| 182 | K | A | -0.4143 | |
| 183 | L | A | 1.5831 | |
| 184 | P | A | 1.3795 | |
| 185 | L | A | 2.6600 | |
| 186 | I | A | 3.2657 | |
| 187 | T | A | 1.8269 | |
| 188 | C | A | 1.5652 | |
| 189 | Y | A | 0.9362 | |
| 190 | E | A | -1.4179 | |
| 191 | G | A | -1.3695 | |
| 192 | A | A | -1.3352 | |
| 193 | K | A | -2.0487 | |
| 194 | P | A | -0.9327 | |
| 195 | G | A | -0.2522 | |
| 196 | L | A | 0.7277 | |
| 197 | A | A | 0.1862 | |
| 198 | A | A | -0.3170 | |
| 199 | A | A | -0.9201 | |
| 200 | R | A | -1.8776 | |
| 201 | L | A | -0.5987 | |
| 202 | R | A | -2.3633 | |
| 203 | R | A | -2.6188 | |
| 204 | S | A | -1.0774 | |
| 205 | W | A | 0.3445 | |
| 206 | P | A | -0.2376 | |
| 207 | P | A | -0.3524 | |
| 208 | S | A | -0.1045 | |
| 209 | F | A | 0.3221 | |
| 210 | L | A | 0.4787 | |
| 211 | S | A | -0.7884 | |
| 212 | K | A | -1.0083 | |
| 213 | F | A | 0.5494 | |
| 214 | R | A | -0.9485 | |
| 215 | A | A | -0.0668 | |
| 216 | L | A | 0.6536 | |
| 217 | Q | A | 0.0947 | |
| 218 | F | A | 1.7026 | |
| 219 | S | A | 1.3682 | |
| 220 | L | A | 1.3780 | |
| 221 | M | A | 1.4025 | |
| 222 | L | A | 1.8331 | |
| 223 | C | A | 1.1676 | |
| 224 | A | A | 0.8035 | |
| 225 | A | A | 0.8473 | |
| 226 | A | A | 0.9661 | |
| 227 | A | A | 0.9514 | |
| 228 | G | A | 1.4282 | |
| 229 | S | A | 1.6765 | |
| 230 | V | A | 2.0100 | |
| 231 | L | A | 1.8366 | |
| 232 | A | A | 1.8661 | |
| 233 | A | A | 1.4254 | |
| 234 | Y | A | 1.4491 | |
| 235 | G | A | 0.7216 | |
| 236 | N | A | -0.1258 | |
| 237 | V | A | 1.4242 | |
| 238 | I | A | 3.1774 | |
| 239 | V | A | 2.8085 | |
| 240 | A | A | 1.7327 | |
| 241 | T | A | 0.6794 | |
| 242 | L | A | 0.3753 | |
| 243 | N | A | -0.9182 | |
| 244 | Y | A | -0.1946 | |
| 245 | R | A | -0.8741 | |
| 246 | L | A | 1.2411 | |
| 247 | G | A | 1.9525 | |
| 248 | V | A | 3.1233 | |
| 249 | L | A | 3.2425 | |
| 250 | G | A | 2.0948 | |
| 251 | F | A | 3.0898 | |
| 252 | L | A | 2.0117 | |
| 253 | A | A | 0.8569 | |
| 254 | A | A | 0.4344 | |
| 255 | A | A | -0.3820 | |
| 256 | R | A | -1.9989 | |
| 257 | A | A | -1.7553 | |
| 258 | Q | A | -2.7672 | |
| 259 | D | A | -3.1051 | |
| 260 | T | A | -1.9962 | |
| 261 | E | A | -2.0045 | |
| 262 | S | A | -0.2867 | |
| 263 | Y | A | 1.1611 | |
| 264 | L | A | 1.0478 | |
| 265 | S | A | -0.6641 | |
| 266 | R | A | -2.0829 | |
| 267 | E | A | -2.4511 | |
| 268 | D | A | -1.7576 | |
| 269 | F | A | 0.0792 | |
| 270 | Y | A | 0.0335 | |
| 271 | N | A | -1.3909 | |
| 272 | S | A | -0.6478 | |
| 273 | L | A | -0.1160 | |
| 274 | A | A | -0.5849 | |
| 275 | S | A | -1.2314 | |
| 276 | R | A | -2.4355 | |
| 277 | K | A | -2.2908 | |
| 278 | G | A | -1.0290 | |
| 279 | S | A | -0.9637 | |
| 280 | V | A | -0.5151 | |
| 281 | A | A | -0.4530 | |
| 282 | A | A | -0.0643 | |
| 283 | A | A | 0.0000 | |
| 284 | K | A | -1.2690 | |
| 285 | W | A | -0.0103 | |
| 286 | F | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | K | A | -2.5649 | |
| 289 | A | A | -1.6338 | |
| 290 | V | A | -1.4025 | |
| 291 | K | A | -2.6082 | |
| 292 | R | A | -3.2399 | |
| 293 | H | A | -2.6449 | |
| 294 | H | A | -2.2786 | |
| 295 | S | A | -1.7040 | |
| 296 | T | A | -0.8615 | |
| 297 | V | A | -0.7661 | |
| 298 | S | A | -1.3115 | |
| 299 | N | A | -2.6249 | |
| 300 | E | A | -2.7535 | |
| 301 | A | A | -1.3602 | |
| 302 | L | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | P | A | -2.1151 | |
| 305 | K | A | -2.8757 | |
| 306 | Q | A | -2.1687 | |
| 307 | D | A | -1.5607 | |
| 308 | L | A | -0.9529 | |
| 309 | A | A | -0.9167 | |
| 310 | A | A | -0.8827 | |
| 311 | A | A | -1.1215 | |
| 312 | D | A | -1.3519 | |
| 313 | V | A | -0.9865 | |
| 314 | R | A | -2.1671 | |
| 315 | P | A | -1.3316 | |
| 316 | W | A | -0.6904 | |
| 317 | M | A | -1.0367 | |
| 318 | Q | A | -1.5886 | |
| 319 | A | A | -0.3583 | |
| 320 | L | A | 0.4384 | |
| 321 | R | A | -0.1492 | |
| 322 | Y | A | 0.5810 | |
| 323 | T | A | 0.4929 | |
| 324 | V | A | 1.4059 | |
| 325 | Y | A | 0.7008 | |
| 326 | Q | A | -0.4447 | |
| 327 | N | A | -1.5520 | |
| 328 | Q | A | -1.9805 | |
| 329 | L | A | -1.5295 | |
| 330 | L | A | -2.1295 | |
| 331 | E | A | -4.1073 | |
| 332 | K | A | -4.0438 | |
| 333 | I | A | -2.6089 | |
| 334 | K | A | -3.3816 | |
| 335 | E | A | -4.1581 | |
| 336 | Q | A | -3.4807 | |
| 337 | A | A | 0.0000 | |
| 338 | A | A | -1.8322 | |
| 339 | A | A | -2.0822 | |
| 340 | R | A | -2.6359 | |
| 341 | N | A | -1.3997 | |
| 342 | L | A | 0.2153 | |
| 343 | V | A | 1.7120 | |
| 344 | F | A | 1.0234 | |
| 345 | S | A | 0.3793 | |
| 346 | I | A | 0.0860 | |
| 347 | D | A | -0.8063 | |
| 348 | L | A | 0.7645 | |
| 349 | G | A | 0.2837 | |
| 350 | P | A | 0.7944 | |
| 351 | F | A | 2.1314 | |
| 352 | S | A | 2.1292 | |
| 353 | F | A | 3.1523 | |
| 354 | P | A | 2.3479 | |
| 355 | F | A | 3.1819 | |
| 356 | Y | A | 2.8226 | |
| 357 | L | A | 2.2841 | |
| 358 | Q | A | 0.2727 | |
| 359 | R | A | -0.2339 | |
| 360 | I | A | 1.2656 | |
| 361 | I | A | 0.8088 | |
| 362 | R | A | -0.7893 | |
| 363 | L | A | 0.5461 | |
| 364 | S | A | 0.1778 | |
| 365 | A | A | 0.6786 | |
| 366 | A | A | 0.4375 | |
| 367 | A | A | -0.0944 | |
| 368 | S | A | -0.1330 | |
| 369 | P | A | 0.0672 | |
| 370 | S | A | 1.0736 | |
| 371 | V | A | 2.6445 | |
| 372 | C | A | 2.2246 | |
| 373 | L | A | 2.4591 | |
| 374 | V | A | 2.0408 | |
| 375 | L | A | 0.7768 | |
| 376 | N | A | -1.0214 | |
| 377 | W | A | -1.1242 | |
| 378 | E | A | -2.3280 | |
| 379 | E | A | -1.7603 | |
| 380 | L | A | 0.0879 | |
| 381 | C | A | -0.2932 | |
| 382 | N | A | -1.4787 | |
| 383 | N | A | -1.9962 | |
| 384 | G | A | -1.5892 | |
| 385 | S | A | -1.1936 | |
| 386 | E | A | -0.7584 | |
| 387 | I | A | 2.0098 | |
| 388 | L | A | 2.2415 | |
| 389 | A | A | 1.7871 | |
| 390 | Y | A | 2.0859 | |
| 391 | N | A | 0.6968 | |
| 392 | I | A | 2.0042 | |
| 393 | A | A | 0.9401 | |
| 394 | A | A | 0.4424 | |
| 395 | A | A | 0.8255 | |
| 396 | M | A | 0.3258 | |
| 397 | E | A | -0.8772 | |
| 398 | L | A | 0.3572 | |
| 399 | S | A | -0.4399 | |
| 400 | R | A | -1.5595 | |
| 401 | R | A | -0.6101 | |
| 402 | I | A | 1.8943 | |
| 403 | C | A | 1.2765 | |
| 404 | L | A | 2.5288 | |
| 405 | V | A | 3.2411 | |
| 406 | Q | A | 2.4524 | |
| 407 | L | A | 2.7875 | |
| 408 | W | A | 3.6975 | |
| 409 | L | A | 3.5010 | |
| 410 | L | A | 3.4022 | |
| 411 | L | A | 3.7189 | |
| 412 | L | A | 3.5585 | |
| 413 | S | A | 3.4933 | |
| 414 | F | A | 4.3747 | |
| 415 | L | A | 3.9454 | |
| 416 | L | A | 3.3666 | |
| 417 | G | A | 2.2897 | |
| 418 | F | A | 2.9573 | |
| 419 | A | A | 1.4167 | |
| 420 | A | A | -0.2203 | |
| 421 | A | A | -1.0145 | |
| 422 | D | A | -2.5048 | |
| 423 | N | A | -2.4927 | |
| 424 | H | A | -1.2269 | |
| 425 | L | A | 1.5774 | |
| 426 | Y | A | 2.9081 | |
| 427 | V | A | 3.5423 | |
| 428 | L | A | 2.4563 | |
| 429 | H | A | 1.1577 | |
| 430 | L | A | 1.3805 | |
| 431 | F | A | 1.6371 | |
| 432 | G | A | -0.1932 | |
| 433 | E | A | -1.1447 | |
| 434 | C | A | 0.2410 | |
| 435 | L | A | 2.2814 | |
| 436 | F | A | 3.6162 | |
| 437 | V | A | 3.7626 | |
| 438 | A | A | 3.0715 | |
| 439 | I | A | 2.4702 | |
| 440 | N | A | -0.6819 | |
| 441 | G | A | -1.9822 | |
| 442 | D | A | -3.1533 | |
| 443 | H | A | -2.7901 | |
| 444 | S | A | -2.2494 | |
| 445 | E | A | -2.5970 | |
| 446 | S | A | -1.2977 | |
| 447 | A | A | -0.6612 | |
| 448 | A | A | -0.3029 | |
| 449 | A | A | -0.1791 | |
| 450 | S | A | -0.4624 | |
| 451 | G | A | -0.7366 | |
| 452 | P | A | -0.8466 | |
| 453 | S | A | -1.2294 | |
| 454 | T | A | -1.4645 | |
| 455 | E | A | -2.5586 | |
| 456 | P | A | -1.8158 | |
| 457 | E | A | -1.6590 | |
| 458 | T | A | -0.0285 | |
| 459 | I | A | 1.6278 | |
| 460 | V | A | 1.5445 | |
| 461 | R | A | -0.4061 | |
| 462 | H | A | 0.1656 | |
| 463 | F | A | 2.2051 | |
| 464 | S | A | 1.7200 | |
| 465 | I | A | 3.2059 | |
| 466 | M | A | 2.5271 | |
| 467 | D | A | 0.8974 | |
| 468 | F | A | 1.7625 | |
| 469 | Y | A | 0.8847 | |
| 470 | S | A | -0.9304 | |
| 471 | E | A | -2.2909 | |
| 472 | K | A | -2.8106 | |
| 473 | D | A | -1.7363 | |
| 474 | I | A | -0.1485 | |
| 475 | A | A | -0.6259 | |
| 476 | A | A | -0.4551 | |
| 477 | A | A | 0.5316 | |
| 478 | Y | A | 1.4050 | |
| 479 | P | A | 0.8856 | |
| 480 | Y | A | 1.0937 | |
| 481 | D | A | -0.4480 | |
| 482 | V | A | 0.9951 | |
| 483 | P | A | -0.2473 | |
| 484 | D | A | -1.0573 | |
| 485 | Y | A | 0.6525 | |
| 486 | A | A | 0.1850 |
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