| Chain sequence(s) |
A: TGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDDKLYPFTWDAVRYNGKLIAYPIAVEEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITKGSSGSSVPTNLEVVAATPTSLLISWDAYSSSYYVYYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAGHYLYGLLSSPISINYRT
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 (00:06:40)
[INFO] Main: Simulation completed successfully. (00:06:43)
|
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 | |
| 4 | T | A | -0.8679 | |
| 5 | G | A | -1.4121 | |
| 6 | K | A | -2.0877 | |
| 7 | L | A | 0.0000 | |
| 8 | V | A | -0.5207 | |
| 9 | I | A | 0.0000 | |
| 10 | W | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | N | A | -2.0756 | |
| 13 | G | A | -2.5184 | |
| 14 | D | A | -2.6019 | |
| 15 | K | A | -2.4543 | |
| 16 | G | A | 0.0000 | |
| 17 | Y | A | -1.7937 | |
| 18 | N | A | -2.3907 | |
| 19 | G | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | A | A | -1.7538 | |
| 22 | E | A | -2.8487 | |
| 23 | V | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | K | A | -3.5623 | |
| 26 | K | A | -3.4841 | |
| 27 | F | A | 0.0000 | |
| 28 | E | A | -3.7373 | |
| 29 | K | A | -3.8696 | |
| 30 | D | A | -3.3967 | |
| 31 | T | A | -2.1662 | |
| 32 | G | A | -2.3850 | |
| 33 | I | A | -2.0973 | |
| 34 | K | A | -2.2116 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | -0.5862 | |
| 37 | V | A | -0.6279 | |
| 38 | E | A | -1.3041 | |
| 39 | H | A | -2.0442 | |
| 40 | P | A | -2.0848 | |
| 41 | D | A | -3.3435 | |
| 42 | K | A | -3.5380 | |
| 43 | L | A | 0.0000 | |
| 44 | E | A | -2.8039 | |
| 45 | E | A | -3.5121 | |
| 46 | K | A | -2.7502 | |
| 47 | F | A | 0.0000 | |
| 48 | P | A | -1.3726 | |
| 49 | Q | A | -1.6272 | |
| 50 | V | A | -0.9678 | |
| 51 | A | A | 0.0000 | |
| 52 | A | A | -0.3994 | |
| 53 | T | A | -0.7370 | |
| 54 | G | A | -1.2183 | |
| 55 | D | A | -1.8437 | |
| 56 | G | A | -1.0918 | |
| 57 | P | A | 0.0000 | |
| 58 | D | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | W | A | -0.2985 | |
| 63 | A | A | -0.5169 | |
| 64 | H | A | 0.0000 | |
| 65 | D | A | -1.1333 | |
| 66 | R | A | -2.1064 | |
| 67 | F | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | G | A | -1.3859 | |
| 70 | Y | A | 0.0000 | |
| 71 | A | A | -1.4774 | |
| 72 | Q | A | -1.3882 | |
| 73 | S | A | -1.0475 | |
| 74 | G | A | -1.0797 | |
| 75 | L | A | -0.4234 | |
| 76 | L | A | 0.0000 | |
| 77 | A | A | -1.1441 | |
| 78 | E | A | -2.2373 | |
| 79 | I | A | 0.0000 | |
| 80 | T | A | -1.5864 | |
| 81 | P | A | 0.0000 | |
| 82 | D | A | -2.9305 | |
| 83 | K | A | -3.2447 | |
| 84 | A | A | -2.2071 | |
| 85 | F | A | 0.0000 | |
| 86 | Q | A | -2.5121 | |
| 87 | D | A | -3.1503 | |
| 88 | K | A | -2.3293 | |
| 89 | L | A | 0.0000 | |
| 90 | Y | A | -0.8619 | |
| 91 | P | A | -0.8737 | |
| 92 | F | A | -0.3411 | |
| 93 | T | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | D | A | -0.9677 | |
| 96 | A | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -1.9027 | |
| 99 | Y | A | -2.0188 | |
| 100 | N | A | -2.5435 | |
| 101 | G | A | -2.6807 | |
| 102 | K | A | -2.9379 | |
| 103 | L | A | -1.6824 | |
| 104 | I | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | E | A | -0.7479 | |
| 112 | A | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | Y | A | -0.6425 | |
| 118 | N | A | 0.0000 | |
| 119 | K | A | -2.3412 | |
| 120 | D | A | -2.5075 | |
| 121 | L | A | -1.4100 | |
| 122 | L | A | 0.0000 | |
| 123 | P | A | -1.6280 | |
| 124 | N | A | -1.9520 | |
| 125 | P | A | -1.2080 | |
| 126 | P | A | 0.0000 | |
| 127 | K | A | -2.1106 | |
| 128 | T | A | -1.8116 | |
| 129 | W | A | 0.0000 | |
| 130 | E | A | -1.7916 | |
| 131 | E | A | -1.2763 | |
| 132 | I | A | 0.0000 | |
| 133 | P | A | -1.5617 | |
| 134 | A | A | -1.2034 | |
| 135 | L | A | -1.3321 | |
| 136 | D | A | 0.0000 | |
| 137 | K | A | -3.3108 | |
| 138 | E | A | -3.3468 | |
| 139 | L | A | 0.0000 | |
| 140 | K | A | -3.0997 | |
| 141 | A | A | -2.5032 | |
| 142 | K | A | -3.0290 | |
| 143 | G | A | -2.4517 | |
| 144 | K | A | -2.6538 | |
| 145 | S | A | -1.8351 | |
| 146 | A | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | M | A | -0.1430 | |
| 149 | F | A | 0.0000 | |
| 150 | N | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | Q | A | -0.9907 | |
| 153 | E | A | -0.7399 | |
| 154 | P | A | 0.0000 | |
| 155 | Y | A | -0.0786 | |
| 156 | F | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | W | A | 0.0000 | |
| 159 | P | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | D | A | -1.5714 | |
| 165 | G | A | -0.8110 | |
| 166 | G | A | 0.0000 | |
| 167 | Y | A | -0.2515 | |
| 168 | A | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | K | A | -1.8491 | |
| 171 | Y | A | -1.7939 | |
| 172 | E | A | -3.1602 | |
| 173 | N | A | -2.7497 | |
| 174 | G | A | -2.6278 | |
| 175 | K | A | -3.0723 | |
| 176 | Y | A | -2.0594 | |
| 177 | D | A | -2.3463 | |
| 178 | I | A | -1.1372 | |
| 179 | K | A | -2.3385 | |
| 180 | D | A | -1.5179 | |
| 181 | V | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | D | A | -1.6892 | |
| 185 | N | A | -1.1640 | |
| 186 | A | A | -0.7233 | |
| 187 | G | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -1.2757 | |
| 190 | A | A | -0.7473 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | -0.5160 | |
| 194 | F | A | -0.5180 | |
| 195 | L | A | 0.0000 | |
| 196 | V | A | -1.2061 | |
| 197 | D | A | -2.2829 | |
| 198 | L | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | K | A | -2.8147 | |
| 201 | N | A | -3.1035 | |
| 202 | K | A | -3.3525 | |
| 203 | H | A | -2.3386 | |
| 204 | M | A | 0.0000 | |
| 205 | N | A | -2.6156 | |
| 206 | A | A | -1.7966 | |
| 207 | D | A | -2.0825 | |
| 208 | T | A | 0.0000 | |
| 209 | D | A | -0.7739 | |
| 210 | Y | A | 0.2437 | |
| 211 | S | A | 0.3778 | |
| 212 | I | A | 0.9459 | |
| 213 | A | A | 0.0000 | |
| 214 | E | A | -0.5512 | |
| 215 | A | A | -0.5368 | |
| 216 | A | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | N | A | -2.0998 | |
| 219 | K | A | -2.6570 | |
| 220 | G | A | -2.3795 | |
| 221 | E | A | -2.6002 | |
| 222 | T | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | M | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | N | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | P | A | -0.1351 | |
| 230 | W | A | 0.2226 | |
| 231 | A | A | 0.0000 | |
| 232 | W | A | 0.0000 | |
| 233 | S | A | -1.1386 | |
| 234 | N | A | -1.9665 | |
| 235 | I | A | 0.0000 | |
| 236 | D | A | -2.2498 | |
| 237 | T | A | -1.5724 | |
| 238 | S | A | -2.0477 | |
| 239 | K | A | -2.6528 | |
| 240 | V | A | -2.1657 | |
| 241 | N | A | -2.3855 | |
| 242 | Y | A | -1.4038 | |
| 243 | G | A | -0.5815 | |
| 244 | V | A | 0.0000 | |
| 245 | T | A | -0.2263 | |
| 246 | V | A | -0.1874 | |
| 247 | L | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | T | A | -1.4828 | |
| 250 | F | A | 0.0000 | |
| 251 | K | A | -2.4761 | |
| 252 | G | A | -2.0562 | |
| 253 | Q | A | -1.8189 | |
| 254 | P | A | -1.2892 | |
| 255 | S | A | 0.0000 | |
| 256 | K | A | -0.9010 | |
| 257 | P | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | -0.4059 | |
| 261 | V | A | 0.0000 | |
| 262 | L | A | 0.0294 | |
| 263 | S | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | A | A | -0.4034 | |
| 269 | A | A | -0.1724 | |
| 270 | S | A | 0.0000 | |
| 271 | P | A | -0.9222 | |
| 272 | N | A | 0.0000 | |
| 273 | K | A | -1.8179 | |
| 274 | E | A | -2.5012 | |
| 275 | L | A | -1.6168 | |
| 276 | A | A | 0.0000 | |
| 277 | K | A | -1.9590 | |
| 278 | E | A | -2.1248 | |
| 279 | F | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | E | A | 0.0000 | |
| 282 | N | A | -1.6246 | |
| 283 | Y | A | -1.3332 | |
| 284 | L | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | -1.6820 | |
| 287 | D | A | -2.4110 | |
| 288 | E | A | -2.5685 | |
| 289 | G | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | E | A | -2.6127 | |
| 292 | A | A | -2.6136 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | -2.4679 | |
| 295 | K | A | -3.1802 | |
| 296 | D | A | -3.1841 | |
| 297 | K | A | -3.2292 | |
| 298 | P | A | -1.8422 | |
| 299 | L | A | -0.9910 | |
| 300 | G | A | -0.3511 | |
| 301 | A | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -2.0805 | |
| 306 | S | A | -1.8881 | |
| 307 | Y | A | 0.0000 | |
| 308 | E | A | 0.0000 | |
| 309 | E | A | -3.2512 | |
| 310 | E | A | -3.3871 | |
| 311 | L | A | -2.1752 | |
| 312 | A | A | -2.1386 | |
| 313 | K | A | -2.8266 | |
| 314 | D | A | -1.8792 | |
| 315 | P | A | -1.0378 | |
| 316 | R | A | -0.8886 | |
| 317 | I | A | -1.0912 | |
| 318 | A | A | -1.1990 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | M | A | -0.9654 | |
| 322 | E | A | -1.5073 | |
| 323 | N | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | Q | A | -1.8238 | |
| 326 | K | A | -1.7401 | |
| 327 | G | A | -1.0925 | |
| 328 | E | A | -0.4346 | |
| 329 | I | A | -0.1460 | |
| 330 | M | A | 0.0481 | |
| 331 | P | A | 0.0000 | |
| 332 | N | A | 0.0000 | |
| 333 | I | A | -0.6623 | |
| 334 | P | A | -0.7860 | |
| 335 | Q | A | -0.7297 | |
| 336 | M | A | 0.0000 | |
| 337 | S | A | -0.1119 | |
| 338 | A | A | -0.1796 | |
| 339 | F | A | 0.0000 | |
| 340 | W | A | 0.5576 | |
| 341 | Y | A | 0.8949 | |
| 342 | A | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | R | A | -0.4624 | |
| 345 | T | A | -0.0859 | |
| 346 | A | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | I | A | -0.1701 | |
| 349 | N | A | -0.9491 | |
| 350 | A | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | S | A | -1.1988 | |
| 353 | G | A | -1.6223 | |
| 354 | R | A | -2.3970 | |
| 355 | Q | A | -1.9781 | |
| 356 | T | A | -1.6695 | |
| 357 | V | A | -1.4724 | |
| 358 | D | A | -2.4284 | |
| 359 | E | A | -2.8173 | |
| 360 | A | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | K | A | -3.0006 | |
| 363 | D | A | -2.4452 | |
| 364 | A | A | 0.0000 | |
| 365 | Q | A | -1.7550 | |
| 366 | T | A | -1.7608 | |
| 367 | R | A | -1.6464 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | -1.6862 | |
| 370 | K | A | -2.4849 | |
| 371 | G | A | -1.5847 | |
| 372 | S | A | -0.5721 | |
| 373 | S | A | -0.7450 | |
| 374 | G | A | -0.2615 | |
| 375 | S | A | -0.0371 | |
| 376 | S | A | 0.0703 | |
| 377 | V | A | 0.0000 | |
| 378 | P | A | -0.8640 | |
| 379 | T | A | -0.6091 | |
| 380 | N | A | -0.6218 | |
| 381 | L | A | 1.3551 | |
| 382 | E | A | 0.0000 | |
| 383 | V | A | 1.5066 | |
| 384 | V | A | 2.3126 | |
| 385 | A | A | 1.1234 | |
| 386 | A | A | 0.2636 | |
| 387 | T | A | -0.1843 | |
| 388 | P | A | -0.9926 | |
| 389 | T | A | -0.9749 | |
| 390 | S | A | -0.5155 | |
| 391 | L | A | 0.0000 | |
| 392 | L | A | 1.0041 | |
| 393 | I | A | 0.0000 | |
| 394 | S | A | 0.4047 | |
| 395 | W | A | 0.0000 | |
| 396 | D | A | -0.1802 | |
| 397 | A | A | 0.2662 | |
| 398 | Y | A | 1.1431 | |
| 399 | S | A | 0.5378 | |
| 400 | S | A | 0.6974 | |
| 401 | S | A | 0.9240 | |
| 402 | Y | A | 1.9415 | |
| 403 | Y | A | 2.0367 | |
| 404 | V | A | 2.1184 | |
| 405 | Y | A | 2.0821 | |
| 406 | Y | A | 0.8532 | |
| 407 | Y | A | 0.0000 | |
| 408 | R | A | -0.2141 | |
| 409 | I | A | 0.0000 | |
| 410 | T | A | 0.0000 | |
| 411 | Y | A | -0.3664 | |
| 412 | G | A | 0.0000 | |
| 413 | E | A | -2.0266 | |
| 414 | T | A | -1.7247 | |
| 415 | G | A | -1.5179 | |
| 416 | G | A | -1.7737 | |
| 417 | N | A | -1.7066 | |
| 418 | S | A | -1.0125 | |
| 419 | P | A | -0.3620 | |
| 420 | V | A | 0.3836 | |
| 421 | Q | A | -0.8761 | |
| 422 | E | A | -1.5294 | |
| 423 | F | A | -0.4259 | |
| 424 | T | A | -0.1311 | |
| 425 | V | A | -0.0419 | |
| 426 | P | A | -0.2629 | |
| 427 | G | A | 0.2647 | |
| 428 | S | A | -0.3866 | |
| 429 | K | A | -1.2767 | |
| 430 | S | A | -0.6922 | |
| 431 | T | A | -0.1811 | |
| 432 | A | A | 0.0000 | |
| 433 | T | A | 0.2755 | |
| 434 | I | A | 0.0000 | |
| 435 | S | A | -0.6569 | |
| 436 | G | A | -0.9957 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | -2.3018 | |
| 439 | P | A | -1.6704 | |
| 440 | G | A | -1.3081 | |
| 441 | V | A | -1.4556 | |
| 442 | D | A | -2.4957 | |
| 443 | Y | A | 0.0000 | |
| 444 | T | A | -0.9517 | |
| 445 | I | A | 0.0000 | |
| 446 | T | A | -0.3699 | |
| 447 | V | A | 0.0000 | |
| 448 | Y | A | 0.2777 | |
| 449 | A | A | 0.0000 | |
| 450 | G | A | 0.0000 | |
| 451 | H | A | 0.0000 | |
| 452 | Y | A | 3.2214 | |
| 453 | L | A | 3.1278 | |
| 454 | Y | A | 2.6068 | |
| 455 | G | A | 2.1399 | |
| 456 | L | A | 1.6381 | |
| 457 | L | A | 0.6507 | |
| 458 | S | A | -0.1034 | |
| 459 | S | A | -0.2364 | |
| 460 | P | A | -0.1825 | |
| 461 | I | A | 0.0000 | |
| 462 | S | A | -0.4582 | |
| 463 | I | A | -0.0837 | |
| 464 | N | A | -1.5885 | |
| 465 | Y | A | -1.0753 | |
| 466 | R | A | -2.4632 | |
| 467 | T | A | -1.4999 |
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