| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFFSVIDNDKVTVPKVSGNQYRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGIGTTGHPLFNKLGDTENPNKYQQGSKDNRQNTSMDPKQTQLFIVGCEPPTGEHWDVAKPCGALEKGDCPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFFTRNGSVGEPIPNSVSPSDFYYAPDSTQDQKTLAPSVYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQTNTPNPDTYDSTNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:02)
[INFO] Main: Simulation completed successfully. (00:00:06)
|
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 | Y | A | 1.9494 | |
| 2 | L | A | 1.9705 | |
| 3 | P | A | 0.6476 | |
| 4 | P | A | 0.3702 | |
| 5 | T | A | 0.1206 | |
| 6 | T | A | 0.1330 | |
| 7 | P | A | 0.1833 | |
| 8 | V | A | 1.2183 | |
| 9 | A | A | 0.0380 | |
| 10 | K | A | -1.1442 | |
| 11 | V | A | -0.3859 | |
| 12 | Q | A | -1.5223 | |
| 13 | S | A | -1.5847 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.3823 | |
| 16 | E | A | -2.4225 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4649 | |
| 20 | P | A | 0.1142 | |
| 21 | T | A | 0.1160 | |
| 22 | S | A | -0.1686 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1055 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2846 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8775 | |
| 31 | R | A | -2.6431 | |
| 32 | L | A | -0.7688 | |
| 33 | L | A | 1.2117 | |
| 34 | T | A | 1.4431 | |
| 35 | V | A | 1.9708 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.9676 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 1.0273 | |
| 40 | F | A | 1.8375 | |
| 41 | S | A | 1.4182 | |
| 42 | V | A | 1.4876 | |
| 43 | I | A | 0.9047 | |
| 44 | D | A | -1.9523 | |
| 45 | N | A | -2.7683 | |
| 46 | D | A | -2.7364 | |
| 47 | K | A | -1.9601 | |
| 48 | V | A | 0.7707 | |
| 49 | T | A | 0.2538 | |
| 50 | V | A | 1.1562 | |
| 51 | P | A | 1.2212 | |
| 52 | K | A | 0.7466 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | N | 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 | R | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.1801 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.3877 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.3106 | |
| 70 | K | A | -1.8192 | |
| 71 | F | A | -0.6675 | |
| 72 | A | A | -0.5746 | |
| 73 | L | A | -0.8662 | |
| 74 | P | A | -1.2546 | |
| 75 | Q | A | -2.4661 | |
| 76 | K | A | -3.0894 | |
| 77 | D | A | -2.9866 | |
| 78 | F | A | -1.6436 | |
| 79 | Y | A | -1.9175 | |
| 80 | D | A | -2.7405 | |
| 81 | P | A | -2.3439 | |
| 82 | E | A | -3.0627 | |
| 83 | K | A | -3.4359 | |
| 84 | E | A | -2.4951 | |
| 85 | R | A | -1.3137 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.6182 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9692 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3324 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6689 | |
| 99 | G | A | -0.5308 | |
| 100 | P | A | -0.1254 | |
| 101 | L | A | 0.6072 | |
| 102 | G | A | 1.1513 | |
| 103 | I | A | 2.1072 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.1813 | |
| 106 | T | A | 0.0000 | |
| 107 | G | A | -0.2104 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.6928 | |
| 110 | L | A | -0.7108 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.7693 | |
| 113 | K | A | -1.3096 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | -1.7394 | |
| 116 | D | A | -2.0253 | |
| 117 | T | A | -1.6905 | |
| 118 | E | A | -2.6439 | |
| 119 | N | A | -2.8933 | |
| 120 | P | A | -2.6965 | |
| 121 | N | A | -2.8113 | |
| 122 | K | A | -2.8892 | |
| 123 | Y | A | -1.7335 | |
| 124 | Q | A | -1.9005 | |
| 125 | Q | A | -1.7862 | |
| 126 | G | A | -2.0930 | |
| 127 | S | A | -2.3403 | |
| 128 | K | A | -3.0157 | |
| 129 | D | A | -3.2676 | |
| 130 | N | A | -2.4966 | |
| 131 | R | A | -2.3740 | |
| 132 | Q | A | -2.1983 | |
| 133 | N | A | -1.8354 | |
| 134 | T | A | -1.0877 | |
| 135 | S | A | -0.6793 | |
| 136 | M | A | 0.0000 | |
| 137 | D | A | -0.1963 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | 0.1030 | |
| 141 | T | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | E | A | -0.5409 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2194 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0562 | |
| 157 | D | A | 0.1779 | |
| 158 | V | A | 0.7824 | |
| 159 | A | A | 0.1761 | |
| 160 | K | A | -1.3614 | |
| 161 | P | A | -0.2180 | |
| 162 | C | A | 0.1894 | |
| 163 | G | A | -0.2966 | |
| 164 | A | A | -0.3077 | |
| 165 | L | A | -0.6608 | |
| 166 | E | A | -2.6654 | |
| 167 | K | A | -2.9159 | |
| 168 | G | A | -2.2566 | |
| 169 | D | A | -2.4232 | |
| 170 | C | A | -0.4297 | |
| 171 | P | A | -0.2466 | |
| 172 | P | A | 0.6811 | |
| 173 | I | A | 1.9300 | |
| 174 | Q | A | 0.7954 | |
| 175 | L | A | 1.4385 | |
| 176 | V | A | 0.8254 | |
| 177 | N | A | -0.2931 | |
| 178 | S | A | 0.0479 | |
| 179 | V | A | 0.4647 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3836 | |
| 182 | D | A | 0.0684 | |
| 183 | G | A | -0.1659 | |
| 184 | D | A | -0.6037 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | -0.5146 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.0692 | |
| 190 | F | A | -0.0021 | |
| 191 | G | A | -0.1703 | |
| 192 | N | A | -0.3785 | |
| 193 | M | A | -0.2883 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.6463 | |
| 197 | E | A | -3.0095 | |
| 198 | L | A | -1.4282 | |
| 199 | Q | A | -2.6459 | |
| 200 | Q | A | -3.4537 | |
| 201 | D | A | -3.6499 | |
| 202 | R | A | -3.4277 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.5400 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.4843 | |
| 211 | S | A | -1.6620 | |
| 212 | T | A | -1.6018 | |
| 213 | R | A | -2.3856 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.2330 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3414 | |
| 220 | L | A | 0.5532 | |
| 221 | K | A | -1.1942 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8495 | |
| 224 | N | A | -1.6143 | |
| 225 | E | A | -1.2715 | |
| 226 | A | A | -0.7841 | |
| 227 | Y | A | -0.3752 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6805 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0896 | |
| 234 | F | A | 0.2766 | |
| 235 | G | A | -0.7911 | |
| 236 | R | A | -2.5566 | |
| 237 | R | A | -2.7928 | |
| 238 | E | A | -2.0723 | |
| 239 | Q | A | -0.1785 | |
| 240 | V | A | 1.2700 | |
| 241 | Y | A | 1.1077 | |
| 242 | A | A | 0.0419 | |
| 243 | R | A | -1.5141 | |
| 244 | H | A | -1.3855 | |
| 245 | F | A | -0.3256 | |
| 246 | F | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | -0.1022 | |
| 249 | N | A | -1.2663 | |
| 250 | G | A | -1.1929 | |
| 251 | S | A | -0.6385 | |
| 252 | V | A | -0.2166 | |
| 253 | G | A | -1.2903 | |
| 254 | E | A | -1.8474 | |
| 255 | P | A | -0.8863 | |
| 256 | I | A | 0.1067 | |
| 257 | P | A | -0.3101 | |
| 258 | N | A | -0.2578 | |
| 259 | S | A | -0.0897 | |
| 260 | V | A | 1.0180 | |
| 261 | S | A | 0.1711 | |
| 262 | P | A | 0.1384 | |
| 263 | S | A | 0.2516 | |
| 264 | D | A | -0.5044 | |
| 265 | F | A | 1.5123 | |
| 266 | Y | A | 1.1929 | |
| 267 | Y | A | 1.1262 | |
| 268 | A | A | -0.0471 | |
| 269 | P | A | -1.6797 | |
| 270 | D | A | -3.0204 | |
| 271 | S | A | -2.5045 | |
| 272 | T | A | -2.1658 | |
| 273 | Q | A | -3.3614 | |
| 274 | D | A | -3.7028 | |
| 275 | Q | A | -2.8898 | |
| 276 | K | A | -3.2613 | |
| 277 | T | A | -1.5360 | |
| 278 | L | A | 0.1124 | |
| 279 | A | A | -0.2526 | |
| 280 | P | A | 0.4313 | |
| 281 | S | A | 0.9361 | |
| 282 | V | A | 1.4545 | |
| 283 | Y | A | 1.7516 | |
| 284 | F | A | 1.2294 | |
| 285 | G | A | -0.0204 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 1.1436 | |
| 291 | L | A | 1.8461 | |
| 292 | V | A | 1.1066 | |
| 293 | S | A | -0.1918 | |
| 294 | S | A | -0.9767 | |
| 295 | D | A | -1.8481 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.0961 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6630 | |
| 301 | R | A | -1.9073 | |
| 302 | P | A | -0.9599 | |
| 303 | F | A | -0.1310 | |
| 304 | W | A | -0.5046 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0752 | |
| 307 | R | A | -2.8231 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.3720 | |
| 310 | G | A | -1.2088 | |
| 311 | N | A | -1.2745 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.9203 | |
| 319 | N | A | -0.9023 | |
| 320 | E | A | -1.0653 | |
| 321 | L | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | 0.3380 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | 0.7994 | |
| 333 | N | A | 0.8804 | |
| 334 | F | A | 1.5298 | |
| 335 | T | A | 0.8145 | |
| 336 | I | A | 0.3773 | |
| 337 | S | A | -1.2962 | |
| 338 | Q | A | -2.5210 | |
| 339 | Q | A | -2.7908 | |
| 340 | T | A | -1.9360 | |
| 341 | N | A | -2.0096 | |
| 342 | T | A | -1.2930 | |
| 343 | P | A | -1.6159 | |
| 344 | N | A | -2.0968 | |
| 345 | P | A | -1.6473 | |
| 346 | D | A | -2.1806 | |
| 347 | T | A | -1.0580 | |
| 348 | Y | A | 0.0388 | |
| 349 | D | A | -0.9106 | |
| 350 | S | A | -0.9106 | |
| 351 | T | A | -0.9408 | |
| 352 | N | A | -1.6800 | |
| 353 | F | A | -1.9860 | |
| 354 | K | A | -2.6968 | |
| 355 | N | A | -1.9102 | |
| 356 | Y | A | 0.0235 | |
| 357 | L | A | 0.7030 | |
| 358 | R | A | 0.9752 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4748 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0080 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9388 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6651 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.3142 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3370 | |
| 376 | L | A | -1.7682 | |
| 377 | D | A | -2.0459 | |
| 378 | P | A | -1.0687 | |
| 379 | G | A | -1.0247 | |
| 380 | V | A | -0.9430 | |
| 381 | L | A | -0.5442 | |
| 382 | A | A | -0.6628 | |
| 383 | H | A | -0.8499 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4047 | |
| 386 | T | A | -0.5750 | |
| 387 | M | A | -0.3244 | |
| 388 | N | A | -0.8629 | |
| 389 | P | A | -1.2748 | |
| 390 | T | A | -1.5558 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5770 | |
| 393 | E | A | -2.9912 | |
| 394 | N | A | -2.6812 | |
| 395 | W | A | -1.6183 | |
| 396 | N | A | -1.5673 | |
| 397 | L | A | -0.3201 | |
| 398 | G | A | 0.4584 | |
| 399 | F | A | 2.3908 | |
| 400 | V | A | 1.8045 | |
| 401 | P | A | 0.0287 | |
| 402 | P | A | -1.9191 | |
| 403 | K | A | -3.5301 | |
| 404 | E | A | -3.8488 | |
| 405 | R | A | -4.1227 | |
| 406 | E | A | -3.8437 | |
| 407 | D | A | -2.8788 | |
| 408 | P | A | -1.7646 | |
| 409 | Y | A | -0.9707 | |
| 410 | K | A | -2.0885 | |
| 411 | G | A | -0.6411 | |
| 412 | L | A | 0.6706 | |
| 413 | I | A | 1.5707 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4373 | |
| 416 | E | A | -1.7514 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9744 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0921 | |
| 421 | E | A | -2.8164 | |
| 422 | R | A | -2.6265 | |
| 423 | F | A | -1.3277 | |
| 424 | S | A | -1.4920 | |
| 425 | Q | A | -1.8172 | |
| 426 | D | A | -2.8907 | |
| 427 | L | A | -1.9691 | |
| 428 | D | A | -2.7293 | |
| 429 | Q | A | -2.5834 | |
| 430 | F | A | -1.3891 | |
| 431 | A | A | -0.8583 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.4659 | |
| 435 | K | A | -0.6696 | |
| 436 | F | A | 0.2026 | |
| 437 | L | A | 1.0733 | |
| 438 | Y | A | 0.8600 | |
| 439 | Q | A | -0.2442 |
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