| Chain sequence(s) |
A: MSDYNYKPTLWTRADALKVHEDDPTTTQPVIDIAFPVMSEEKWIWDTWPLRDFDGEIISVNGDYHIYFLQADRNTDNPQFQDENGNYDITRDWEDRHRNVTQGHAVSKDLINWTHLGTTFAPGVSPTTRTWTGSTLLDDTGLWHLFYTCVTPGATIAKVRGKIVTSDQSVSLEGFQQVTSLFSADGTIYQTEEQNWHDWAFRDPWVMKNPKGDGWIMYMVGRVAGPRGSHEITQAEMGNVPPGYEDVGGAKYQAGCVGFATSPDLNTWTLQPPVYKGGMFGQMEVPHVFEVNGKWYMLFCTDGYHFADNLTGPRGVHYLMADDPRGPWEVAPGLVLGNPSSQPFQTYAHYVMPNGLVTSFIHSVPWKGKDYRIGGTEAPTVKILLKGDRSFIVDSFDYGYIPAMKDITLK
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] (00:00:08)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:08)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:08)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:08)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:08)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:09)
[INFO] Main: Simulation completed successfully. (00:00:14)
|
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 | |
| 1 | M | A | 0.3697 | |
| 2 | S | A | -0.7465 | |
| 3 | D | A | -1.8333 | |
| 4 | Y | A | -1.4416 | |
| 5 | N | A | -1.8960 | |
| 6 | Y | A | -1.5661 | |
| 7 | K | A | -1.9641 | |
| 8 | P | A | -1.3077 | |
| 9 | T | A | -0.9015 | |
| 10 | L | A | -0.4331 | |
| 11 | W | A | 0.0000 | |
| 12 | T | A | -0.3601 | |
| 13 | R | A | 0.0000 | |
| 14 | A | A | -0.5623 | |
| 15 | D | A | -0.8399 | |
| 16 | A | A | 0.0000 | |
| 17 | L | A | -0.5120 | |
| 18 | K | A | -1.8688 | |
| 19 | V | A | -1.2883 | |
| 20 | H | A | -2.0633 | |
| 21 | E | A | -2.1625 | |
| 22 | D | A | -2.2639 | |
| 23 | D | A | -1.7327 | |
| 24 | P | A | -0.9267 | |
| 25 | T | A | -0.1980 | |
| 26 | T | A | -0.6733 | |
| 27 | T | A | -0.6209 | |
| 28 | Q | A | 0.0000 | |
| 29 | P | A | 0.2918 | |
| 30 | V | A | 1.2392 | |
| 31 | I | A | 0.0000 | |
| 32 | D | A | -0.9639 | |
| 33 | I | A | 0.2268 | |
| 34 | A | A | -0.1888 | |
| 35 | F | A | 0.0000 | |
| 36 | P | A | -0.0303 | |
| 37 | V | A | -0.1245 | |
| 38 | M | A | -0.3244 | |
| 39 | S | A | -1.5833 | |
| 40 | E | A | -2.8987 | |
| 41 | E | A | -3.3718 | |
| 42 | K | A | -2.3909 | |
| 43 | W | A | 0.0000 | |
| 44 | I | A | 0.0000 | |
| 45 | W | A | 0.0000 | |
| 46 | D | A | -0.1664 | |
| 47 | T | A | 0.0000 | |
| 48 | W | A | 0.0000 | |
| 49 | P | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | R | A | 0.0000 | |
| 52 | D | A | -1.4058 | |
| 53 | F | A | -1.5993 | |
| 54 | D | A | -2.4888 | |
| 55 | G | A | 0.0000 | |
| 56 | E | A | -1.4670 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | S | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | N | A | -1.4606 | |
| 62 | G | A | -1.4932 | |
| 63 | D | A | 0.0000 | |
| 64 | Y | A | -0.8389 | |
| 65 | H | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | Y | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | Q | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | D | A | -3.0346 | |
| 73 | R | A | -2.4742 | |
| 74 | N | A | -2.0519 | |
| 75 | T | A | -2.0971 | |
| 76 | D | A | -2.4531 | |
| 77 | N | A | -1.9276 | |
| 78 | P | A | -1.9679 | |
| 79 | Q | A | -2.0709 | |
| 80 | F | A | 0.0000 | |
| 81 | Q | A | -2.8332 | |
| 82 | D | A | -3.0303 | |
| 83 | E | A | -3.2707 | |
| 84 | N | A | -3.0181 | |
| 85 | G | A | -2.7621 | |
| 86 | N | A | -2.6802 | |
| 87 | Y | A | -1.8038 | |
| 88 | D | A | -1.2458 | |
| 89 | I | A | -0.1521 | |
| 90 | T | A | -0.5213 | |
| 91 | R | A | -1.5501 | |
| 92 | D | A | 0.0000 | |
| 93 | W | A | 0.0000 | |
| 94 | E | A | -2.4835 | |
| 95 | D | A | -2.4016 | |
| 96 | R | A | 0.0000 | |
| 97 | H | A | -2.2112 | |
| 98 | R | A | -3.0972 | |
| 99 | N | A | -2.7597 | |
| 100 | V | A | 0.0000 | |
| 101 | T | A | -0.8707 | |
| 102 | Q | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | H | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | S | A | 0.0000 | |
| 108 | K | A | -2.2985 | |
| 109 | D | A | -1.7482 | |
| 110 | L | A | 0.0000 | |
| 111 | I | A | 0.5180 | |
| 112 | N | A | -0.8503 | |
| 113 | W | A | -0.4063 | |
| 114 | T | A | -0.3461 | |
| 115 | H | A | -0.3594 | |
| 116 | L | A | 0.1478 | |
| 117 | G | A | -0.1246 | |
| 118 | T | A | -0.0636 | |
| 119 | T | A | -0.1420 | |
| 120 | F | A | 0.0000 | |
| 121 | A | A | -0.2730 | |
| 122 | P | A | -0.3265 | |
| 123 | G | A | -0.2843 | |
| 124 | V | A | 0.1180 | |
| 125 | S | A | 0.0000 | |
| 126 | P | A | -0.3093 | |
| 127 | T | A | -0.2842 | |
| 128 | T | A | -0.8377 | |
| 129 | R | A | -1.1825 | |
| 130 | T | A | 0.0000 | |
| 131 | W | A | 0.0000 | |
| 132 | T | A | 0.0000 | |
| 133 | G | A | -0.0409 | |
| 134 | S | A | 0.0000 | |
| 135 | T | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | D | A | -1.2021 | |
| 139 | D | A | -1.8003 | |
| 140 | T | A | -0.9639 | |
| 141 | G | A | -0.7688 | |
| 142 | L | A | -0.8150 | |
| 143 | W | A | 0.0000 | |
| 144 | H | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | T | A | 0.0000 | |
| 149 | C | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | T | A | -0.5021 | |
| 152 | P | A | -0.3642 | |
| 153 | G | A | -0.8472 | |
| 154 | A | A | -0.3970 | |
| 155 | T | A | -0.0600 | |
| 156 | I | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | K | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | R | A | -2.4567 | |
| 161 | G | A | 0.0000 | |
| 162 | K | A | -1.4199 | |
| 163 | I | A | 0.0000 | |
| 164 | V | A | 0.2261 | |
| 165 | T | A | -0.6050 | |
| 166 | S | A | -1.3996 | |
| 167 | D | A | -2.5525 | |
| 168 | Q | A | -2.1890 | |
| 169 | S | A | -1.0966 | |
| 170 | V | A | -0.1385 | |
| 171 | S | A | -0.0063 | |
| 172 | L | A | -0.3625 | |
| 173 | E | A | -1.7639 | |
| 174 | G | A | -2.1526 | |
| 175 | F | A | 0.0000 | |
| 176 | Q | A | -2.0886 | |
| 177 | Q | A | -1.8769 | |
| 178 | V | A | -0.6843 | |
| 179 | T | A | -0.5865 | |
| 180 | S | A | -0.3166 | |
| 181 | L | A | -0.0493 | |
| 182 | F | A | -0.0343 | |
| 183 | S | A | -0.2698 | |
| 184 | A | A | -0.6791 | |
| 185 | D | A | -0.9270 | |
| 186 | G | A | -1.0741 | |
| 187 | T | A | -0.1897 | |
| 188 | I | A | 0.2360 | |
| 189 | Y | A | 0.0000 | |
| 190 | Q | A | 0.0000 | |
| 191 | T | A | -2.1917 | |
| 192 | E | A | -3.5597 | |
| 193 | E | A | -3.4400 | |
| 194 | Q | A | -2.7723 | |
| 195 | N | A | -3.3506 | |
| 196 | W | A | -2.2191 | |
| 197 | H | A | -1.8831 | |
| 198 | D | A | -1.3121 | |
| 199 | W | A | -0.6648 | |
| 200 | A | A | 0.0000 | |
| 201 | F | A | 0.0000 | |
| 202 | R | A | 0.0000 | |
| 203 | D | A | 0.0000 | |
| 204 | P | A | 0.0000 | |
| 205 | W | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | M | A | 0.0000 | |
| 208 | K | A | -2.3578 | |
| 209 | N | A | -2.2190 | |
| 210 | P | A | -2.1706 | |
| 211 | K | A | -2.6076 | |
| 212 | G | A | -2.3016 | |
| 213 | D | A | -2.7288 | |
| 214 | G | A | -1.8553 | |
| 215 | W | A | -1.4092 | |
| 216 | I | A | 0.0000 | |
| 217 | M | A | 0.0000 | |
| 218 | Y | A | 0.0000 | |
| 219 | M | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | R | A | 0.0000 | |
| 223 | V | A | 0.0706 | |
| 224 | A | A | -0.2230 | |
| 225 | G | A | -0.9104 | |
| 226 | P | A | -1.7960 | |
| 227 | R | A | -2.3771 | |
| 228 | G | A | -1.4337 | |
| 229 | S | A | -1.2862 | |
| 230 | H | A | -1.4969 | |
| 231 | E | A | -2.0995 | |
| 232 | I | A | -1.0326 | |
| 233 | T | A | -1.0472 | |
| 234 | Q | A | -1.7449 | |
| 235 | A | A | -0.7241 | |
| 236 | E | A | -0.9279 | |
| 237 | M | A | 0.0000 | |
| 238 | G | A | -1.0318 | |
| 239 | N | A | -1.5653 | |
| 240 | V | A | -0.7791 | |
| 241 | P | A | -0.5393 | |
| 242 | P | A | -0.7233 | |
| 243 | G | A | -0.9851 | |
| 244 | Y | A | -0.9180 | |
| 245 | E | A | -2.7337 | |
| 246 | D | A | -2.8938 | |
| 247 | V | A | -1.8461 | |
| 248 | G | A | -1.8588 | |
| 249 | G | A | -1.0849 | |
| 250 | A | A | 0.0000 | |
| 251 | K | A | -1.4922 | |
| 252 | Y | A | -0.7203 | |
| 253 | Q | A | -0.4248 | |
| 254 | A | A | 0.0000 | |
| 255 | G | A | 0.0000 | |
| 256 | C | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | F | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | T | A | -0.2402 | |
| 262 | S | A | 0.0000 | |
| 263 | P | A | -1.4052 | |
| 264 | D | A | -1.6175 | |
| 265 | L | A | 0.0000 | |
| 266 | N | A | -1.3311 | |
| 267 | T | A | -0.7819 | |
| 268 | W | A | -0.2414 | |
| 269 | T | A | 0.0720 | |
| 270 | L | A | 0.1442 | |
| 271 | Q | A | 0.0000 | |
| 272 | P | A | -0.3384 | |
| 273 | P | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | Y | A | 0.0000 | |
| 276 | K | A | -0.6663 | |
| 277 | G | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | M | A | 0.0000 | |
| 280 | F | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | Q | A | 0.0000 | |
| 283 | M | A | 0.0000 | |
| 284 | E | A | -0.1447 | |
| 285 | V | A | 0.0288 | |
| 286 | P | A | 0.0000 | |
| 287 | H | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | E | A | -2.1791 | |
| 291 | V | A | -1.4177 | |
| 292 | N | A | -2.0096 | |
| 293 | G | A | -1.9412 | |
| 294 | K | A | -2.2748 | |
| 295 | W | A | 0.0000 | |
| 296 | Y | A | 0.0000 | |
| 297 | M | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | C | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | D | A | 0.0000 | |
| 303 | G | A | 0.6382 | |
| 304 | Y | A | 1.0780 | |
| 305 | H | A | 0.0000 | |
| 306 | F | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | D | A | -2.1861 | |
| 309 | N | A | -2.2342 | |
| 310 | L | A | -0.7300 | |
| 311 | T | A | -0.5882 | |
| 312 | G | A | 0.0000 | |
| 313 | P | A | 0.0000 | |
| 314 | R | A | 0.0000 | |
| 315 | G | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | H | A | 0.0000 | |
| 318 | Y | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | M | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | D | A | -2.6284 | |
| 323 | D | A | -1.9583 | |
| 324 | P | A | 0.0000 | |
| 325 | R | A | -1.1533 | |
| 326 | G | A | -1.4005 | |
| 327 | P | A | -1.6212 | |
| 328 | W | A | 0.0000 | |
| 329 | E | A | -2.0618 | |
| 330 | V | A | -0.8088 | |
| 331 | A | A | 0.0000 | |
| 332 | P | A | -1.4210 | |
| 333 | G | A | -1.3101 | |
| 334 | L | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | N | A | 0.0000 | |
| 339 | P | A | 0.0000 | |
| 340 | S | A | -0.4394 | |
| 341 | S | A | -0.1131 | |
| 342 | Q | A | 0.6213 | |
| 343 | P | A | 0.4665 | |
| 344 | F | A | 1.3018 | |
| 345 | Q | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | Y | A | 0.3279 | |
| 348 | A | A | 0.0000 | |
| 349 | H | A | 0.0000 | |
| 350 | Y | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | M | A | 0.0000 | |
| 353 | P | A | -0.5075 | |
| 354 | N | A | -0.4773 | |
| 355 | G | A | 0.0643 | |
| 356 | L | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | T | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | H | A | 0.2386 | |
| 363 | S | A | 0.3707 | |
| 364 | V | A | 0.0000 | |
| 365 | P | A | -0.6058 | |
| 366 | W | A | -0.5926 | |
| 367 | K | A | -2.3639 | |
| 368 | G | A | -2.3055 | |
| 369 | K | A | -2.8850 | |
| 370 | D | A | -2.7278 | |
| 371 | Y | A | -0.5920 | |
| 372 | R | A | -0.2154 | |
| 373 | I | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | T | A | 0.0000 | |
| 377 | E | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | P | A | -0.3628 | |
| 380 | T | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | K | A | -0.3582 | |
| 383 | I | A | 0.0000 | |
| 384 | L | A | 0.1489 | |
| 385 | L | A | -1.3185 | |
| 386 | K | A | -2.7142 | |
| 387 | G | A | -2.5351 | |
| 388 | D | A | -2.9603 | |
| 389 | R | A | -2.9444 | |
| 390 | S | A | 0.0000 | |
| 391 | F | A | 0.1060 | |
| 392 | I | A | 0.6597 | |
| 393 | V | A | 0.7940 | |
| 394 | D | A | -0.7768 | |
| 395 | S | A | -0.7149 | |
| 396 | F | A | -0.5711 | |
| 397 | D | A | -0.8742 | |
| 398 | Y | A | 0.1007 | |
| 399 | G | A | 0.0000 | |
| 400 | Y | A | 0.1418 | |
| 401 | I | A | 0.0000 | |
| 402 | P | A | -0.2875 | |
| 403 | A | A | -0.4380 | |
| 404 | M | A | -0.4812 | |
| 405 | K | A | -1.4804 | |
| 406 | D | A | -1.8795 | |
| 407 | I | A | -1.1362 | |
| 408 | T | A | -0.7531 | |
| 409 | L | A | -0.8209 | |
| 410 | K | A | -1.4969 |
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