| Chain sequence(s) |
A: MESKALLVLTLAVWLQSLTASRGGVAAADQRRDFIDIESKFALRTPEDTAEDTCHLIPGVAESVATCHFNHSSKTFMVIHGWTVTGMYESWVPKLVAALYKREPDSNVIVVDWLSRAQEHYPVSAGYTKLVGQDVARFINWMEEEFNYPLDNVHLLGYSLGAHAAGIAGSLTNKKVNRITGLDPAGPNFEYAEAPSRLSPDDADFVDVLHTFTRGSPGRSIGIQKPVGHVDIYPNGGTFQPGCNIGEAIRVIAERGLGDVDQLVKCSHERSIHLFIDSLLNEENPSKAYRCSSKEAFEKGLCLSCRKNRCNNLGYEINKVRAKRSSKMYLKTRSQMPYKVFHYQVKIHFSGTESETHTNQAFEISLYGTVAESENIPFTLPEVSTNKTYSFLIYTEVDIGELLMLKLKWKSDSYFSWSDWWSSPGFAIQKIRVKAGETQKKVIFCSREKVSHLQKGKAPAVFVKCHDKSLNKKSG
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 (00:06:21)
[INFO] Main: Simulation completed successfully. (00:06:24)
|
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 | -0.1493 | |
| 2 | E | A | -1.8034 | |
| 3 | S | A | -1.0700 | |
| 4 | K | A | -0.9376 | |
| 5 | A | A | 0.8425 | |
| 6 | L | A | 2.9009 | |
| 7 | L | A | 3.4815 | |
| 8 | V | A | 4.1067 | |
| 9 | L | A | 4.3070 | |
| 10 | T | A | 3.8056 | |
| 11 | L | A | 4.1217 | |
| 12 | A | A | 3.3365 | |
| 13 | V | A | 3.5136 | |
| 14 | W | A | 3.2415 | |
| 15 | L | A | 2.6955 | |
| 16 | Q | A | 0.6951 | |
| 17 | S | A | 0.8454 | |
| 18 | L | A | 0.8873 | |
| 19 | T | A | -0.1598 | |
| 20 | A | A | -0.3539 | |
| 21 | S | A | -0.5357 | |
| 22 | R | A | -1.4877 | |
| 23 | G | A | -0.7770 | |
| 24 | G | A | -0.4515 | |
| 25 | V | A | 0.2463 | |
| 26 | A | A | -0.5923 | |
| 27 | A | A | -1.1839 | |
| 28 | A | A | -1.4609 | |
| 29 | D | A | -2.6828 | |
| 30 | Q | A | -2.2111 | |
| 31 | R | A | -2.1489 | |
| 32 | R | A | -3.3073 | |
| 33 | D | A | -3.1426 | |
| 34 | F | A | 0.0000 | |
| 35 | I | A | -0.3069 | |
| 36 | D | A | -1.8454 | |
| 37 | I | A | -1.1798 | |
| 38 | E | A | -1.9643 | |
| 39 | S | A | 0.0000 | |
| 40 | K | A | -1.7789 | |
| 41 | F | A | 0.0000 | |
| 42 | A | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | R | A | 0.0000 | |
| 45 | T | A | -1.4970 | |
| 46 | P | A | -1.8433 | |
| 47 | E | A | -2.1817 | |
| 48 | D | A | -1.9942 | |
| 49 | T | A | -1.5784 | |
| 50 | A | A | -1.5497 | |
| 51 | E | A | -2.1157 | |
| 52 | D | A | -1.5863 | |
| 53 | T | A | -0.9270 | |
| 54 | C | A | -0.5097 | |
| 55 | H | A | -0.3940 | |
| 56 | L | A | 0.0000 | |
| 57 | I | A | 0.4766 | |
| 58 | P | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | V | A | -0.7062 | |
| 61 | A | A | -0.7677 | |
| 62 | E | A | -1.6822 | |
| 63 | S | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | A | A | -1.0209 | |
| 66 | T | A | -0.8606 | |
| 67 | C | A | 0.0000 | |
| 68 | H | A | -1.3495 | |
| 69 | F | A | 0.0000 | |
| 70 | N | A | -1.4858 | |
| 71 | H | A | -1.3447 | |
| 72 | S | A | -1.1244 | |
| 73 | S | A | -1.4016 | |
| 74 | K | A | -1.7140 | |
| 75 | T | A | 0.0000 | |
| 76 | F | A | 0.0000 | |
| 77 | M | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | H | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | W | A | 0.3618 | |
| 83 | T | A | 0.0000 | |
| 84 | V | A | 1.1632 | |
| 85 | T | A | 0.8062 | |
| 86 | G | A | 0.4431 | |
| 87 | M | A | 1.1661 | |
| 88 | Y | A | 0.3477 | |
| 89 | E | A | -0.0561 | |
| 90 | S | A | -0.4146 | |
| 91 | W | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | P | A | -1.0380 | |
| 94 | K | A | -1.3050 | |
| 95 | L | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | A | A | -1.2650 | |
| 98 | A | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | Y | A | 0.0000 | |
| 101 | K | A | -2.0848 | |
| 102 | R | A | -1.6335 | |
| 103 | E | A | -1.6869 | |
| 104 | P | A | -1.8826 | |
| 105 | D | A | -2.4795 | |
| 106 | S | A | 0.0000 | |
| 107 | N | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | D | A | -0.8765 | |
| 113 | W | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | S | A | -0.8643 | |
| 116 | R | A | -0.8178 | |
| 117 | A | A | 0.0000 | |
| 118 | Q | A | -0.8612 | |
| 119 | E | A | -1.4302 | |
| 120 | H | A | -1.1532 | |
| 121 | Y | A | -0.4407 | |
| 122 | P | A | -0.5431 | |
| 123 | V | A | -0.1118 | |
| 124 | S | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | G | A | -0.3960 | |
| 127 | Y | A | 0.0015 | |
| 128 | T | A | 0.0000 | |
| 129 | K | A | -1.1419 | |
| 130 | L | A | -0.0061 | |
| 131 | V | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | Q | A | -0.3986 | |
| 134 | D | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | R | A | -0.5048 | |
| 138 | F | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | N | A | -1.5114 | |
| 141 | W | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | E | A | -2.3125 | |
| 144 | E | A | -2.8436 | |
| 145 | E | A | -1.9838 | |
| 146 | F | A | -1.3550 | |
| 147 | N | A | -2.1378 | |
| 148 | Y | A | 0.0000 | |
| 149 | P | A | -2.0526 | |
| 150 | L | A | 0.0000 | |
| 151 | D | A | -2.9732 | |
| 152 | N | A | -1.7576 | |
| 153 | V | A | 0.0000 | |
| 154 | H | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | Y | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | H | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | S | A | -0.9088 | |
| 171 | L | A | -0.1047 | |
| 172 | T | A | -1.2590 | |
| 173 | N | A | -2.2480 | |
| 174 | K | A | -3.3446 | |
| 175 | K | A | -3.6114 | |
| 176 | V | A | 0.0000 | |
| 177 | N | A | -2.2708 | |
| 178 | R | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | 0.0000 | |
| 184 | P | A | 0.0000 | |
| 185 | A | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | P | A | -0.8500 | |
| 188 | N | A | -1.3567 | |
| 189 | F | A | 0.0000 | |
| 190 | E | A | 0.0000 | |
| 191 | Y | A | 0.4633 | |
| 192 | A | A | -0.6429 | |
| 193 | E | A | -1.6194 | |
| 194 | A | A | -1.2093 | |
| 195 | P | A | -1.1802 | |
| 196 | S | A | -1.1497 | |
| 197 | R | A | -0.8985 | |
| 198 | L | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | P | A | -1.6121 | |
| 201 | D | A | -2.3581 | |
| 202 | D | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | D | A | -3.0323 | |
| 205 | F | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | D | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | H | A | 0.0000 | |
| 211 | T | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | T | A | 0.0000 | |
| 214 | R | A | -1.7688 | |
| 215 | G | A | -1.7368 | |
| 216 | S | A | -1.3846 | |
| 217 | P | A | -1.0851 | |
| 218 | G | A | -1.1466 | |
| 219 | R | A | -2.3504 | |
| 220 | S | A | 0.0000 | |
| 221 | I | A | 0.0705 | |
| 222 | G | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | Q | A | -0.9857 | |
| 225 | K | A | -0.6315 | |
| 226 | P | A | -0.7610 | |
| 227 | V | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | H | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | D | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | P | A | 0.0000 | |
| 235 | N | A | -0.5472 | |
| 236 | G | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | T | A | -0.6141 | |
| 239 | F | A | -0.2497 | |
| 240 | Q | A | 0.0000 | |
| 241 | P | A | -0.7172 | |
| 242 | G | A | -0.6385 | |
| 243 | C | A | 0.0000 | |
| 244 | N | A | 0.5490 | |
| 245 | I | A | 2.1545 | |
| 246 | G | A | 0.6877 | |
| 247 | E | A | 0.0137 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | 1.5324 | |
| 250 | R | A | -1.0288 | |
| 251 | V | A | -0.1287 | |
| 252 | I | A | 0.2000 | |
| 253 | A | A | -0.8003 | |
| 254 | E | A | -2.2572 | |
| 255 | R | A | -2.3739 | |
| 256 | G | A | -0.7127 | |
| 257 | L | A | 0.8838 | |
| 258 | G | A | -0.6918 | |
| 259 | D | A | -1.1304 | |
| 260 | V | A | 0.1413 | |
| 261 | D | A | -1.3152 | |
| 262 | Q | A | -1.6733 | |
| 263 | L | A | 0.4560 | |
| 264 | V | A | 0.8566 | |
| 265 | K | A | -0.3047 | |
| 266 | C | A | -0.1763 | |
| 267 | S | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | E | A | -0.3330 | |
| 270 | R | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | H | A | -0.4686 | |
| 274 | L | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | D | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | L | A | -0.5583 | |
| 281 | N | A | -1.8292 | |
| 282 | E | A | -2.9768 | |
| 283 | E | A | -3.2854 | |
| 284 | N | A | -2.8811 | |
| 285 | P | A | -1.9176 | |
| 286 | S | A | -1.2711 | |
| 287 | K | A | -0.7851 | |
| 288 | A | A | 0.0000 | |
| 289 | Y | A | 0.0000 | |
| 290 | R | A | -1.4956 | |
| 291 | C | A | 0.0000 | |
| 292 | S | A | -0.6335 | |
| 293 | S | A | -1.2226 | |
| 294 | K | A | -1.9962 | |
| 295 | E | A | -2.1587 | |
| 296 | A | A | -1.1814 | |
| 297 | F | A | 0.0000 | |
| 298 | E | A | -1.8917 | |
| 299 | K | A | -1.6633 | |
| 300 | G | A | 0.0000 | |
| 301 | L | A | 0.6490 | |
| 302 | C | A | -0.0228 | |
| 303 | L | A | 0.0000 | |
| 304 | S | A | -1.2837 | |
| 305 | C | A | -2.3354 | |
| 306 | R | A | -3.5587 | |
| 307 | K | A | -3.5679 | |
| 308 | N | A | -3.4429 | |
| 309 | R | A | -3.2493 | |
| 310 | C | A | -2.0525 | |
| 311 | N | A | 0.0000 | |
| 312 | N | A | -1.0453 | |
| 313 | L | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | Y | A | -0.4921 | |
| 316 | E | A | -1.6510 | |
| 317 | I | A | 0.0000 | |
| 318 | N | A | -2.4699 | |
| 319 | K | A | -2.7914 | |
| 320 | V | A | -1.9994 | |
| 321 | R | A | -3.0757 | |
| 322 | A | A | -2.5428 | |
| 323 | K | A | -2.9854 | |
| 324 | R | A | -3.0488 | |
| 325 | S | A | -1.8744 | |
| 326 | S | A | -1.7043 | |
| 327 | K | A | -1.3088 | |
| 328 | M | A | 0.0000 | |
| 329 | Y | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | K | A | -0.7330 | |
| 332 | T | A | 0.0000 | |
| 333 | R | A | -1.5065 | |
| 334 | S | A | -1.0746 | |
| 335 | Q | A | -1.4214 | |
| 336 | M | A | -0.4953 | |
| 337 | P | A | -0.8812 | |
| 338 | Y | A | 0.0000 | |
| 339 | K | A | -1.5703 | |
| 340 | V | A | 0.0000 | |
| 341 | F | A | -0.6027 | |
| 342 | H | A | 0.0000 | |
| 343 | Y | A | 0.0000 | |
| 344 | Q | A | -0.7673 | |
| 345 | V | A | 0.0000 | |
| 346 | K | A | -1.9503 | |
| 347 | I | A | 0.0000 | |
| 348 | H | A | -1.8129 | |
| 349 | F | A | 0.0000 | |
| 350 | S | A | -1.4147 | |
| 351 | G | A | -1.6413 | |
| 352 | T | A | -1.4380 | |
| 353 | E | A | -2.5302 | |
| 354 | S | A | -1.9505 | |
| 355 | E | A | -2.1270 | |
| 356 | T | A | -1.2594 | |
| 357 | H | A | -1.0525 | |
| 358 | T | A | -1.2040 | |
| 359 | N | A | -1.7256 | |
| 360 | Q | A | -1.1818 | |
| 361 | A | A | -0.9967 | |
| 362 | F | A | 0.0000 | |
| 363 | E | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | S | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | Y | A | -0.7012 | |
| 368 | G | A | -0.6331 | |
| 369 | T | A | -0.1492 | |
| 370 | V | A | 0.6593 | |
| 371 | A | A | -0.7703 | |
| 372 | E | A | -2.0050 | |
| 373 | S | A | -2.2439 | |
| 374 | E | A | -2.7536 | |
| 375 | N | A | -1.8959 | |
| 376 | I | A | -0.8051 | |
| 377 | P | A | -0.6996 | |
| 378 | F | A | -0.0065 | |
| 379 | T | A | -0.6399 | |
| 380 | L | A | 0.0000 | |
| 381 | P | A | -1.2539 | |
| 382 | E | A | -1.4459 | |
| 383 | V | A | 0.0000 | |
| 384 | S | A | 0.0000 | |
| 385 | T | A | -1.9883 | |
| 386 | N | A | -2.3488 | |
| 387 | K | A | -1.9022 | |
| 388 | T | A | -1.1748 | |
| 389 | Y | A | -0.7825 | |
| 390 | S | A | -0.8304 | |
| 391 | F | A | 0.0000 | |
| 392 | L | A | -0.3797 | |
| 393 | I | A | 0.0000 | |
| 394 | Y | A | 0.2437 | |
| 395 | T | A | 0.0000 | |
| 396 | E | A | -2.0978 | |
| 397 | V | A | -1.3437 | |
| 398 | D | A | -2.1700 | |
| 399 | I | A | 0.0000 | |
| 400 | G | A | -1.0441 | |
| 401 | E | A | -1.6276 | |
| 402 | L | A | 0.0000 | |
| 403 | L | A | 0.2760 | |
| 404 | M | A | 0.3006 | |
| 405 | L | A | 0.0000 | |
| 406 | K | A | -0.6954 | |
| 407 | L | A | 0.0000 | |
| 408 | K | A | -1.2517 | |
| 409 | W | A | 0.0000 | |
| 410 | K | A | -1.7447 | |
| 411 | S | A | -1.0705 | |
| 412 | D | A | -1.4802 | |
| 413 | S | A | 0.4199 | |
| 414 | Y | A | 1.9853 | |
| 415 | F | A | 2.6569 | |
| 416 | S | A | 0.0000 | |
| 417 | W | A | 1.6809 | |
| 418 | S | A | 0.8120 | |
| 419 | D | A | -0.6561 | |
| 420 | W | A | 0.8925 | |
| 421 | W | A | 0.9412 | |
| 422 | S | A | -0.0232 | |
| 423 | S | A | 0.0000 | |
| 424 | P | A | -0.7402 | |
| 425 | G | A | -1.4365 | |
| 426 | F | A | 0.0000 | |
| 427 | A | A | -1.1792 | |
| 428 | I | A | 0.0000 | |
| 429 | Q | A | -2.0633 | |
| 430 | K | A | -2.0164 | |
| 431 | I | A | 0.0000 | |
| 432 | R | A | -2.9067 | |
| 433 | V | A | 0.0000 | |
| 434 | K | A | -1.5534 | |
| 435 | A | A | 0.0000 | |
| 436 | G | A | 0.0000 | |
| 437 | E | A | -0.4699 | |
| 438 | T | A | -0.8371 | |
| 439 | Q | A | -1.2928 | |
| 440 | K | A | -2.1681 | |
| 441 | K | A | -2.5801 | |
| 442 | V | A | 0.0000 | |
| 443 | I | A | -1.7687 | |
| 444 | F | A | 0.0000 | |
| 445 | C | A | -1.5504 | |
| 446 | S | A | -2.1964 | |
| 447 | R | A | -2.9100 | |
| 448 | E | A | -3.5712 | |
| 449 | K | A | -3.1735 | |
| 450 | V | A | -2.0840 | |
| 451 | S | A | -1.7967 | |
| 452 | H | A | -1.6670 | |
| 453 | L | A | 0.0000 | |
| 454 | Q | A | -1.5695 | |
| 455 | K | A | -1.4362 | |
| 456 | G | A | -0.7318 | |
| 457 | K | A | -1.0853 | |
| 458 | A | A | -0.5641 | |
| 459 | P | A | -0.8096 | |
| 460 | A | A | 0.0000 | |
| 461 | V | A | -0.3863 | |
| 462 | F | A | 0.0000 | |
| 463 | V | A | 0.0862 | |
| 464 | K | A | -0.7270 | |
| 465 | C | A | -0.6561 | |
| 466 | H | A | -2.1229 | |
| 467 | D | A | -3.0662 | |
| 468 | K | A | -3.2677 | |
| 469 | S | A | -2.4293 | |
| 470 | L | A | -2.2935 | |
| 471 | N | A | -3.0155 | |
| 472 | K | A | -3.4184 | |
| 473 | K | A | -3.0730 | |
| 474 | S | A | -1.8937 | |
| 475 | G | A | -1.3501 |
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