| Chain sequence(s) |
A: MAIIGFDGRFPGANHPTDFWNQVINEEMAISDLPKDAFRFKDAPVDDIERFGGGFLQDIDRFDAAFFSIDDQEARLMDPQQRLLLQSVWKTVEHAGYRMEQLSERQTGLFIGVGSSDYLQLMCAGDSAFNSHTQVGISPSMLANRISYHLNLKGPSEISDTACSSSIVAIHRAIRSLREGECELAIVGGVSLLLSARGYQGLKHLGFLSPSRASRSFDARADGYVRGEGVGSVLLKPLSQAERDHDHIHAVIKGSAVYHGGKSTLSLIAPSKNGQIGAMVRAYRNADVNPAAVQYVEAHGTATSFGDPAEISALKQAFVQLETEPRNGARCGIGALKPNIGHLEAASGMASLIKLTLALKMKKKPPLAGFHSLNPGIILESSPFYIVREPEDWVRTDVPRRAGLNSYGFGGVNSHLVLEEY
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 (00:07:02)
[INFO] Main: Simulation completed successfully. (00:07:05)
|
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 | -0.1657 | |
| 2 | A | A | 0.0000 | |
| 3 | I | A | 0.0000 | |
| 4 | I | A | 0.0000 | |
| 5 | G | A | 0.0000 | |
| 6 | F | A | 0.0000 | |
| 7 | D | A | 0.0000 | |
| 8 | G | A | 0.0000 | |
| 9 | R | A | -1.0678 | |
| 10 | F | A | 0.0000 | |
| 11 | P | A | 0.0000 | |
| 12 | G | A | -1.2513 | |
| 13 | A | A | 0.0000 | |
| 14 | N | A | -1.7713 | |
| 15 | H | A | -1.6504 | |
| 16 | P | A | 0.0000 | |
| 17 | T | A | -1.5282 | |
| 18 | D | A | -2.7104 | |
| 19 | F | A | 0.0000 | |
| 20 | W | A | 0.0000 | |
| 21 | N | A | -2.6496 | |
| 22 | Q | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | I | A | -1.9581 | |
| 25 | N | A | -2.8552 | |
| 26 | E | A | -3.2431 | |
| 27 | E | A | -2.7359 | |
| 28 | M | A | -0.7023 | |
| 29 | A | A | -0.2103 | |
| 30 | I | A | -0.1481 | |
| 31 | S | A | -0.6174 | |
| 32 | D | A | -1.9826 | |
| 33 | L | A | 0.0000 | |
| 34 | P | A | -1.6212 | |
| 35 | K | A | -2.1795 | |
| 36 | D | A | -1.6617 | |
| 37 | A | A | -0.8310 | |
| 38 | F | A | -0.8217 | |
| 39 | R | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | K | A | -1.8646 | |
| 42 | D | A | 0.0000 | |
| 43 | A | A | -1.2035 | |
| 44 | P | A | -1.5886 | |
| 45 | V | A | -2.1150 | |
| 46 | D | A | -3.1289 | |
| 47 | D | A | -3.3318 | |
| 48 | I | A | 0.0000 | |
| 49 | E | A | -3.1333 | |
| 50 | R | A | -3.1061 | |
| 51 | F | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | F | A | -0.3625 | |
| 56 | L | A | 0.0000 | |
| 57 | Q | A | -2.2287 | |
| 58 | D | A | -2.4868 | |
| 59 | I | A | 0.0000 | |
| 60 | D | A | -3.3161 | |
| 61 | R | A | -3.5027 | |
| 62 | F | A | -2.1922 | |
| 63 | D | A | -1.9130 | |
| 64 | A | A | -1.6494 | |
| 65 | A | A | -0.3611 | |
| 66 | F | A | 1.0692 | |
| 67 | F | A | 0.0000 | |
| 68 | S | A | -0.5287 | |
| 69 | I | A | 0.0000 | |
| 70 | D | A | -3.1201 | |
| 71 | D | A | -3.6172 | |
| 72 | Q | A | -2.8900 | |
| 73 | E | A | -2.3047 | |
| 74 | A | A | -2.8485 | |
| 75 | R | A | -3.1948 | |
| 76 | L | A | -1.2193 | |
| 77 | M | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | P | A | 0.0000 | |
| 80 | Q | A | 0.0000 | |
| 81 | Q | A | 0.0000 | |
| 82 | R | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | Q | A | -0.6176 | |
| 87 | S | A | 0.0000 | |
| 88 | V | A | 0.0000 | |
| 89 | W | A | -0.8888 | |
| 90 | K | A | -1.3759 | |
| 91 | T | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | E | A | -2.7278 | |
| 94 | H | A | -1.8874 | |
| 95 | A | A | 0.0000 | |
| 96 | G | A | -1.8321 | |
| 97 | Y | A | -2.1470 | |
| 98 | R | A | -3.1846 | |
| 99 | M | A | -2.3884 | |
| 100 | E | A | -3.2535 | |
| 101 | Q | A | -2.7483 | |
| 102 | L | A | 0.0000 | |
| 103 | S | A | -2.7892 | |
| 104 | E | A | -3.3988 | |
| 105 | R | A | -3.1736 | |
| 106 | Q | A | -2.9269 | |
| 107 | T | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | I | A | 0.0000 | |
| 112 | G | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | G | A | -0.8422 | |
| 115 | S | A | -0.5970 | |
| 116 | S | A | -0.2099 | |
| 117 | D | A | 0.0000 | |
| 118 | Y | A | 0.3590 | |
| 119 | L | A | 0.3470 | |
| 120 | Q | A | -0.3676 | |
| 121 | L | A | 0.0000 | |
| 122 | M | A | 0.0000 | |
| 123 | C | A | 0.5622 | |
| 124 | A | A | -0.4854 | |
| 125 | G | A | -1.2139 | |
| 126 | D | A | -1.5965 | |
| 127 | S | A | -0.5368 | |
| 128 | A | A | 0.2738 | |
| 129 | F | A | 1.0821 | |
| 130 | N | A | -0.2966 | |
| 131 | S | A | -0.5488 | |
| 132 | H | A | -0.8608 | |
| 133 | T | A | 0.0000 | |
| 134 | Q | A | -0.7528 | |
| 135 | V | A | -0.0789 | |
| 136 | G | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | S | A | -0.2027 | |
| 139 | P | A | -0.4634 | |
| 140 | S | A | -0.0849 | |
| 141 | M | A | 0.1029 | |
| 142 | L | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | N | A | -0.0050 | |
| 145 | R | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | Y | A | 0.6234 | |
| 149 | H | A | -0.0696 | |
| 150 | L | A | 0.0000 | |
| 151 | N | A | -1.6930 | |
| 152 | L | A | -1.7383 | |
| 153 | K | A | -2.8968 | |
| 154 | G | A | -2.2685 | |
| 155 | P | A | -1.0758 | |
| 156 | S | A | -0.4116 | |
| 157 | E | A | -0.5686 | |
| 158 | I | A | -0.2960 | |
| 159 | S | A | -0.9185 | |
| 160 | D | A | -1.7165 | |
| 161 | T | A | -0.8093 | |
| 162 | A | A | -0.6119 | |
| 163 | C | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | S | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | H | A | -0.8573 | |
| 172 | R | A | -1.7216 | |
| 173 | A | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | R | A | -3.4062 | |
| 176 | S | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | R | A | -4.0116 | |
| 179 | E | A | -4.0203 | |
| 180 | G | A | -3.3777 | |
| 181 | E | A | -3.5519 | |
| 182 | C | A | 0.0000 | |
| 183 | E | A | -2.9852 | |
| 184 | L | A | 0.0000 | |
| 185 | A | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | S | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | R | A | -2.1071 | |
| 198 | G | A | -1.1960 | |
| 199 | Y | A | 0.0000 | |
| 200 | Q | A | -1.6105 | |
| 201 | G | A | -1.0850 | |
| 202 | L | A | -0.5115 | |
| 203 | K | A | -1.2838 | |
| 204 | H | A | -0.9009 | |
| 205 | L | A | 0.3940 | |
| 206 | G | A | -0.5017 | |
| 207 | F | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | S | A | 0.0000 | |
| 210 | P | A | -1.0389 | |
| 211 | S | A | -1.0942 | |
| 212 | R | A | -1.3894 | |
| 213 | A | A | -0.6956 | |
| 214 | S | A | 0.0000 | |
| 215 | R | A | -1.0755 | |
| 216 | S | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | A | A | -0.8646 | |
| 220 | R | A | -1.5136 | |
| 221 | A | A | 0.0000 | |
| 222 | D | A | -1.1308 | |
| 223 | G | A | 0.0000 | |
| 224 | Y | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | R | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | E | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | S | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | K | A | 0.0000 | |
| 237 | P | A | -0.7218 | |
| 238 | L | A | -0.3604 | |
| 239 | S | A | -1.3258 | |
| 240 | Q | A | -2.0833 | |
| 241 | A | A | 0.0000 | |
| 242 | E | A | -3.0276 | |
| 243 | R | A | -3.5049 | |
| 244 | D | A | -3.3386 | |
| 245 | H | A | -3.0116 | |
| 246 | D | A | -2.2338 | |
| 247 | H | A | -1.5760 | |
| 248 | I | A | -0.4322 | |
| 249 | H | A | -0.2975 | |
| 250 | A | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | K | A | -1.3372 | |
| 254 | G | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | V | A | 0.4756 | |
| 258 | Y | A | 0.3864 | |
| 259 | H | A | -0.8245 | |
| 260 | G | A | -1.2171 | |
| 261 | G | A | -1.5051 | |
| 262 | K | A | -1.6227 | |
| 263 | S | A | -0.3328 | |
| 264 | T | A | 0.3931 | |
| 265 | L | A | 1.6035 | |
| 266 | S | A | 1.2306 | |
| 267 | L | A | 1.6178 | |
| 268 | I | A | 1.6432 | |
| 269 | A | A | 1.0342 | |
| 270 | P | A | 0.4527 | |
| 271 | S | A | -0.7660 | |
| 272 | K | A | -1.2756 | |
| 273 | N | A | -1.6792 | |
| 274 | G | A | 0.0000 | |
| 275 | Q | A | 0.0000 | |
| 276 | I | A | -0.8873 | |
| 277 | G | A | -0.6519 | |
| 278 | A | A | 0.0000 | |
| 279 | M | A | 0.0000 | |
| 280 | V | A | -1.2519 | |
| 281 | R | A | -2.5181 | |
| 282 | A | A | 0.0000 | |
| 283 | Y | A | 0.0000 | |
| 284 | R | A | -3.5056 | |
| 285 | N | A | -2.7818 | |
| 286 | A | A | 0.0000 | |
| 287 | D | A | -3.0381 | |
| 288 | V | A | 0.0000 | |
| 289 | N | A | -1.6673 | |
| 290 | P | A | 0.0000 | |
| 291 | A | A | -1.3338 | |
| 292 | A | A | -0.7767 | |
| 293 | V | A | 0.0000 | |
| 294 | Q | A | -0.6665 | |
| 295 | Y | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | E | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | H | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | T | A | 0.0538 | |
| 302 | A | A | 0.0000 | |
| 303 | T | A | -0.0015 | |
| 304 | S | A | 0.1867 | |
| 305 | F | A | 1.6368 | |
| 306 | G | A | 0.7219 | |
| 307 | D | A | 0.0000 | |
| 308 | P | A | 0.5508 | |
| 309 | A | A | 0.0683 | |
| 310 | E | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | S | A | -0.1821 | |
| 313 | A | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | K | A | -0.2392 | |
| 316 | Q | A | -0.8967 | |
| 317 | A | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | V | A | 0.4977 | |
| 320 | Q | A | -0.7764 | |
| 321 | L | A | -1.2219 | |
| 322 | E | A | -1.6680 | |
| 323 | T | A | -1.5844 | |
| 324 | E | A | -2.7441 | |
| 325 | P | A | -2.1544 | |
| 326 | R | A | -2.7764 | |
| 327 | N | A | -2.5188 | |
| 328 | G | A | -1.8518 | |
| 329 | A | A | -1.8917 | |
| 330 | R | A | -2.2808 | |
| 331 | C | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | I | A | 0.0000 | |
| 334 | G | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | K | A | 0.0000 | |
| 338 | P | A | 0.0000 | |
| 339 | N | A | 0.0000 | |
| 340 | I | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | H | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | E | A | -0.2268 | |
| 345 | A | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | S | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | M | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | S | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | K | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | T | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | A | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | K | A | -1.4069 | |
| 361 | M | A | -1.4650 | |
| 362 | K | A | -2.4774 | |
| 363 | K | A | -2.1473 | |
| 364 | K | A | -1.6799 | |
| 365 | P | A | 0.0000 | |
| 366 | P | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | G | A | -1.3528 | |
| 370 | F | A | -1.3522 | |
| 371 | H | A | -1.4155 | |
| 372 | S | A | -0.6432 | |
| 373 | L | A | 0.1700 | |
| 374 | N | A | 0.0000 | |
| 375 | P | A | -0.1400 | |
| 376 | G | A | 0.2314 | |
| 377 | I | A | 0.0000 | |
| 378 | I | A | 1.3745 | |
| 379 | L | A | 0.1986 | |
| 380 | E | A | -1.2484 | |
| 381 | S | A | -0.8251 | |
| 382 | S | A | -0.5370 | |
| 383 | P | A | -1.4901 | |
| 384 | F | A | 0.0000 | |
| 385 | Y | A | -0.5001 | |
| 386 | I | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | R | A | -3.1009 | |
| 389 | E | A | -3.3779 | |
| 390 | P | A | -2.5304 | |
| 391 | E | A | -2.3162 | |
| 392 | D | A | -2.5475 | |
| 393 | W | A | 0.0000 | |
| 394 | V | A | -0.0453 | |
| 395 | R | A | -1.5676 | |
| 396 | T | A | -1.1491 | |
| 397 | D | A | -2.0419 | |
| 398 | V | A | -1.0630 | |
| 399 | P | A | -0.5168 | |
| 400 | R | A | 0.0000 | |
| 401 | R | A | -0.6310 | |
| 402 | A | A | 0.0000 | |
| 403 | G | A | 0.0000 | |
| 404 | L | A | 0.0000 | |
| 405 | N | A | 0.0000 | |
| 406 | S | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | G | A | 0.0000 | |
| 409 | F | A | 0.6699 | |
| 410 | G | A | 0.2529 | |
| 411 | G | A | -0.1027 | |
| 412 | V | A | 0.0162 | |
| 413 | N | A | 0.0000 | |
| 414 | S | A | 0.0000 | |
| 415 | H | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | E | A | -0.2374 | |
| 420 | E | A | -0.4082 | |
| 421 | Y | A | 0.9615 |
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