| Chain sequence(s) |
A: GPPALNPEPELLSTDDYVEPTDLYYIAETDLIKEVGHPFKDIVVNGEVLIPQVSAYQYRVFKLTLPDPNTLPLPSADFVDPATEILIWRLLAFEIKVFGPLGKGSYGHPNFNALGDVENPTAPVHPGADDRVNLSFYPKRKQMYIIGDRPPLGVYTAPAPPEPGLPPGAEPPLTEVTDIIEHGDMADIGFGAKDYAALLPEKDDVPDIILDTTTKVVDLEGMKNEPLGRRMFDYDEKTASKDSRLLVRNGPDLRPRPRSPPPSRLYVRPPPGSPYWRRPPYRLFTLPDGGEITEEDLLFNKPKIFTKAPGKNNYILWHNQLYITVLDNTRAEIKTITTKVSTPLINVYDPSNYITSLRYEREYQLSLIIQLCKIPLTPETLELIKRIDPSILVNAKLPEIPPVERPDPLAGKKFIEIDLTNKLSRNLENSELGRWYLNK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | G | A | -0.6441 | |
| 2 | P | A | -0.3541 | |
| 3 | P | A | -0.2227 | |
| 4 | A | A | 0.1572 | |
| 5 | L | A | 0.5085 | |
| 6 | N | A | -1.1994 | |
| 7 | P | A | -1.6699 | |
| 8 | E | A | -2.5719 | |
| 9 | P | A | -2.0124 | |
| 10 | E | A | -2.0004 | |
| 11 | L | A | -0.5126 | |
| 12 | L | A | 0.0161 | |
| 13 | S | A | -0.7704 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4383 | |
| 16 | D | A | -2.3766 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | E | A | -2.0987 | |
| 20 | P | A | -1.5567 | |
| 21 | T | A | -1.2857 | |
| 22 | D | A | -1.7407 | |
| 23 | L | A | 0.0000 | |
| 24 | Y | A | -0.6009 | |
| 25 | Y | A | 0.0000 | |
| 26 | I | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -1.1429 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.7945 | |
| 31 | L | A | -0.5836 | |
| 32 | I | A | -0.7760 | |
| 33 | K | A | -1.5592 | |
| 34 | E | A | -0.5583 | |
| 35 | V | A | 0.7472 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.4056 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.8996 | |
| 40 | K | A | -1.7394 | |
| 41 | D | A | -0.5894 | |
| 42 | I | A | 1.2925 | |
| 43 | V | A | 2.2299 | |
| 44 | V | A | 1.6212 | |
| 45 | N | A | -0.5939 | |
| 46 | G | A | -0.4503 | |
| 47 | E | A | -0.2495 | |
| 48 | V | A | 1.9436 | |
| 49 | L | A | 2.5140 | |
| 50 | I | A | 1.5406 | |
| 51 | P | A | 0.3775 | |
| 52 | Q | A | -0.6241 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | K | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -1.1935 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -0.8280 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.1310 | |
| 70 | T | A | -0.4837 | |
| 71 | L | A | -0.0811 | |
| 72 | P | A | -0.0864 | |
| 73 | L | A | 0.0070 | |
| 74 | P | A | -0.3153 | |
| 75 | S | A | -0.6058 | |
| 76 | A | A | -0.9173 | |
| 77 | D | A | -1.9071 | |
| 78 | F | A | -0.8300 | |
| 79 | V | A | -1.1092 | |
| 80 | D | A | -1.7613 | |
| 81 | P | A | -1.3809 | |
| 82 | A | A | -0.7317 | |
| 83 | T | A | -0.6145 | |
| 84 | E | A | -0.9001 | |
| 85 | I | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | -0.2012 | |
| 90 | L | A | 0.0000 | |
| 91 | L | A | 0.2040 | |
| 92 | A | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | E | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | K | A | -0.6842 | |
| 97 | V | A | 0.0000 | |
| 98 | F | A | 0.0613 | |
| 99 | G | A | -0.5065 | |
| 100 | P | A | -0.4424 | |
| 101 | L | A | -0.3168 | |
| 102 | G | A | -1.0605 | |
| 103 | K | A | -1.3776 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.3133 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -0.5385 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -1.2897 | |
| 110 | N | A | -2.0982 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | L | A | -0.5488 | |
| 115 | G | A | -0.5039 | |
| 116 | D | A | -1.2893 | |
| 117 | V | A | -0.9582 | |
| 118 | E | A | -2.6132 | |
| 119 | N | A | -2.3745 | |
| 120 | P | A | -1.3837 | |
| 121 | T | A | -0.6998 | |
| 122 | A | A | -0.3470 | |
| 123 | P | A | -0.2002 | |
| 124 | V | A | -0.3221 | |
| 125 | H | A | -1.1750 | |
| 126 | P | A | -1.4549 | |
| 127 | G | A | -1.4556 | |
| 128 | A | A | -1.3087 | |
| 129 | D | A | -2.4830 | |
| 130 | D | A | -2.0199 | |
| 131 | R | A | -2.0704 | |
| 132 | V | A | -0.9356 | |
| 133 | N | A | -1.4076 | |
| 134 | L | A | -0.6153 | |
| 135 | S | A | -0.2411 | |
| 136 | F | A | 0.0000 | |
| 137 | Y | A | 0.1645 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | -0.9485 | |
| 140 | R | A | -0.9843 | |
| 141 | K | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | M | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | R | A | -0.7665 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | L | A | -0.1112 | |
| 153 | G | A | 0.0000 | |
| 154 | V | A | 0.0029 | |
| 155 | Y | A | -0.4917 | |
| 156 | T | A | -0.4551 | |
| 157 | A | A | 0.0000 | |
| 158 | P | A | -0.1690 | |
| 159 | A | A | -0.2471 | |
| 160 | P | A | -0.6976 | |
| 161 | P | A | -1.1549 | |
| 162 | E | A | -2.0983 | |
| 163 | P | A | -1.3066 | |
| 164 | G | A | -0.8299 | |
| 165 | L | A | -0.5914 | |
| 166 | P | A | -0.5121 | |
| 167 | P | A | -0.7287 | |
| 168 | G | A | -0.7538 | |
| 169 | A | A | -0.8741 | |
| 170 | E | A | -1.4879 | |
| 171 | P | A | -0.9822 | |
| 172 | P | A | -0.2013 | |
| 173 | L | A | 0.6568 | |
| 174 | T | A | -0.1544 | |
| 175 | E | A | -1.3631 | |
| 176 | V | A | -0.4525 | |
| 177 | T | A | -0.3000 | |
| 178 | D | A | -0.4591 | |
| 179 | I | A | -0.3826 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | -1.0441 | |
| 182 | H | A | -1.0461 | |
| 183 | G | A | -0.6524 | |
| 184 | D | A | -0.6050 | |
| 185 | M | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | -0.2685 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.7142 | |
| 190 | F | A | -0.1152 | |
| 191 | G | A | -0.2605 | |
| 192 | A | A | -0.4459 | |
| 193 | K | A | -0.7053 | |
| 194 | D | A | -0.7757 | |
| 195 | Y | A | 0.0000 | |
| 196 | A | A | -1.2387 | |
| 197 | A | A | -0.3511 | |
| 198 | L | A | -0.5084 | |
| 199 | L | A | -1.0375 | |
| 200 | P | A | -1.3582 | |
| 201 | E | A | -1.9320 | |
| 202 | K | A | -2.7032 | |
| 203 | D | A | 0.0000 | |
| 204 | D | A | -1.1349 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.3844 | |
| 208 | I | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -1.4425 | |
| 211 | D | A | -2.0596 | |
| 212 | T | A | -1.0808 | |
| 213 | T | A | -0.7225 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.5427 | |
| 217 | V | A | 0.0000 | |
| 218 | D | A | -0.7236 | |
| 219 | L | A | -1.3028 | |
| 220 | E | A | -2.7791 | |
| 221 | G | A | -2.0647 | |
| 222 | M | A | 0.0000 | |
| 223 | K | A | -3.1838 | |
| 224 | N | A | -2.8117 | |
| 225 | E | A | -1.9398 | |
| 226 | P | A | -1.0722 | |
| 227 | L | A | -0.4580 | |
| 228 | G | A | 0.0000 | |
| 229 | R | A | 0.0000 | |
| 230 | R | A | -0.7594 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | D | A | -0.6697 | |
| 234 | Y | A | -0.3598 | |
| 235 | D | A | -1.1277 | |
| 236 | E | A | -1.5116 | |
| 237 | K | A | -1.4366 | |
| 238 | T | A | -0.8521 | |
| 239 | A | A | -1.0590 | |
| 240 | S | A | -1.8276 | |
| 241 | K | A | -3.0319 | |
| 242 | D | A | -3.2271 | |
| 243 | S | A | -2.1609 | |
| 244 | R | A | -2.8395 | |
| 245 | L | A | -1.0881 | |
| 246 | L | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | 0.0000 | |
| 249 | N | A | -0.7780 | |
| 250 | G | A | -0.4554 | |
| 251 | P | A | -0.4928 | |
| 252 | D | A | -0.3410 | |
| 253 | L | A | -0.0526 | |
| 254 | R | A | -1.5137 | |
| 255 | P | A | -1.4467 | |
| 256 | R | A | -2.0844 | |
| 257 | P | A | -2.1065 | |
| 258 | R | A | -2.6649 | |
| 259 | S | A | -1.8104 | |
| 260 | P | A | 0.0000 | |
| 261 | P | A | -0.8364 | |
| 262 | P | A | -0.1872 | |
| 263 | S | A | -0.3457 | |
| 264 | R | A | -0.8683 | |
| 265 | L | A | 0.9464 | |
| 266 | Y | A | 1.0097 | |
| 267 | V | A | 1.3101 | |
| 268 | R | A | -0.0518 | |
| 269 | P | A | -0.3261 | |
| 270 | P | A | -0.3333 | |
| 271 | P | A | -0.7806 | |
| 272 | G | A | -0.7330 | |
| 273 | S | A | -0.4832 | |
| 274 | P | A | -0.4975 | |
| 275 | Y | A | -0.2985 | |
| 276 | W | A | -1.1769 | |
| 277 | R | A | -2.6575 | |
| 278 | R | A | -1.7629 | |
| 279 | P | A | -0.7530 | |
| 280 | P | A | -0.1226 | |
| 281 | Y | A | 1.2135 | |
| 282 | R | A | 0.7035 | |
| 283 | L | A | 1.8615 | |
| 284 | F | A | 0.6847 | |
| 285 | T | A | -0.8868 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -1.7968 | |
| 289 | G | A | 0.0000 | |
| 290 | G | A | -1.6490 | |
| 291 | E | A | -1.9687 | |
| 292 | I | A | -1.4414 | |
| 293 | T | A | -1.9265 | |
| 294 | E | A | -2.7740 | |
| 295 | E | A | -2.9938 | |
| 296 | D | A | -2.4271 | |
| 297 | L | A | -1.6490 | |
| 298 | L | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.5024 | |
| 301 | K | A | -1.9530 | |
| 302 | P | A | -1.0650 | |
| 303 | K | A | -0.3454 | |
| 304 | I | A | 0.3869 | |
| 305 | F | A | 0.0000 | |
| 306 | T | A | -0.7165 | |
| 307 | K | A | -1.9196 | |
| 308 | A | A | 0.0000 | |
| 309 | P | A | -1.1543 | |
| 310 | G | A | -1.3597 | |
| 311 | K | A | -0.9041 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | Y | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.6700 | |
| 319 | N | A | -0.5568 | |
| 320 | Q | A | -0.7684 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | -2.3358 | |
| 333 | I | A | -1.1725 | |
| 334 | K | A | -1.0423 | |
| 335 | T | A | 0.0158 | |
| 336 | I | A | 1.3432 | |
| 337 | T | A | 0.9271 | |
| 338 | T | A | 0.4863 | |
| 339 | K | A | -0.2697 | |
| 340 | V | A | 1.2711 | |
| 341 | S | A | 0.2533 | |
| 342 | T | A | 0.1469 | |
| 343 | P | A | 0.1905 | |
| 344 | L | A | 1.3045 | |
| 345 | I | A | 0.9357 | |
| 346 | N | A | 0.4045 | |
| 347 | V | A | 1.8551 | |
| 348 | Y | A | 1.4494 | |
| 349 | D | A | -0.1079 | |
| 350 | P | A | -0.1729 | |
| 351 | S | A | -0.0631 | |
| 352 | N | A | 0.3093 | |
| 353 | Y | A | 0.9197 | |
| 354 | I | A | 2.1086 | |
| 355 | T | A | 1.2852 | |
| 356 | S | A | 0.7529 | |
| 357 | L | A | 0.2879 | |
| 358 | R | A | -0.1909 | |
| 359 | Y | A | 0.0000 | |
| 360 | E | A | -0.9598 | |
| 361 | R | A | 0.0000 | |
| 362 | E | A | -0.7251 | |
| 363 | Y | A | 0.0000 | |
| 364 | Q | A | -0.8363 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.9844 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.7694 | |
| 376 | L | A | -0.6927 | |
| 377 | T | A | -0.9565 | |
| 378 | P | A | -1.5129 | |
| 379 | E | A | -2.4528 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | -1.7437 | |
| 382 | E | A | -3.0764 | |
| 383 | L | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | K | A | -2.3876 | |
| 386 | R | A | -2.1848 | |
| 387 | I | A | -0.9806 | |
| 388 | D | A | 0.0000 | |
| 389 | P | A | -0.7620 | |
| 390 | S | A | -0.4671 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | V | A | -0.2406 | |
| 394 | N | A | -1.2792 | |
| 395 | A | A | -1.0906 | |
| 396 | K | A | -2.1010 | |
| 397 | L | A | -1.2439 | |
| 398 | P | A | -1.3954 | |
| 399 | E | A | -1.9214 | |
| 400 | I | A | -0.6169 | |
| 401 | P | A | -0.3764 | |
| 402 | P | A | -0.4852 | |
| 403 | V | A | 0.3166 | |
| 404 | E | A | -2.1585 | |
| 405 | R | A | -2.8094 | |
| 406 | P | A | -2.1286 | |
| 407 | D | A | -2.4472 | |
| 408 | P | A | -1.3500 | |
| 409 | L | A | -0.9884 | |
| 410 | A | A | -1.1094 | |
| 411 | G | A | -1.2695 | |
| 412 | K | A | -1.6875 | |
| 413 | K | A | -2.2958 | |
| 414 | F | A | -1.3223 | |
| 415 | I | A | -1.0781 | |
| 416 | E | A | -2.2186 | |
| 417 | I | A | -1.6989 | |
| 418 | D | A | -2.4655 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.3636 | |
| 421 | N | A | -1.8304 | |
| 422 | K | A | -1.7636 | |
| 423 | L | A | -1.0198 | |
| 424 | S | A | -1.8312 | |
| 425 | R | A | -2.5446 | |
| 426 | N | A | -2.8511 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -3.6661 | |
| 429 | N | A | -3.4110 | |
| 430 | S | A | 0.0000 | |
| 431 | E | A | -2.8829 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -3.3139 | |
| 435 | W | A | -1.6891 | |
| 436 | Y | A | -0.8984 | |
| 437 | L | A | -0.5271 | |
| 438 | N | A | -1.7382 | |
| 439 | K | A | -1.8681 |
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