| Chain sequence(s) |
A: MTIPISLAKLNSSADTHSALEVFNLQKVASSARRGKFGIAERIAALNLLKETIQRREPEIIAALAADFRKPASEVKLTEIFPVLQEINHAKRNLKDWMKPRRVRAALSVAGTRAGLRYEPKGVCLIIAPWNYPFNLSFGPLVSALAAGNSVVIKPSELTPHTATLIGSIVREAFSVDLVAVVEGDAAVSQELLALPFDHIFFTGSPRVGKLVMEAASKTLASVTLELGGKSPTIIGPTANLPKAARNIVWGKFSNNGQTCIAPDHVFVHRCIAQKFNEILVKEIVRVYGKDFAAQRRSADYCRIVNDQHFNRINKLLTDAKAKGAKILQGGQVDATERLVVPTVLSNVTAAMDINHEEIFGPLLPIIEYDDIDSVIKRVNDGDKPLALYVFSEDKQFVNNIVARTSSGSVGVNLSVVHFLHPNLPFGGVNNSGIGSAHGVYGFRAFSHEKPVLIDKFSITHWLFPPYTKKVKQLIGITVKYLS
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] (00:00:01)
[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 (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:16:34)
[INFO] Main: Simulation completed successfully. (00:16:42)
|
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 | 1.4832 | |
| 2 | T | A | 1.6032 | |
| 3 | I | A | 2.5808 | |
| 4 | P | A | 1.9295 | |
| 5 | I | A | 2.6796 | |
| 6 | S | A | 1.4843 | |
| 7 | L | A | 1.6222 | |
| 8 | A | A | 0.0687 | |
| 9 | K | A | -1.1088 | |
| 10 | L | A | -0.3774 | |
| 11 | N | A | -1.3132 | |
| 12 | S | A | -1.0929 | |
| 13 | S | A | -0.8526 | |
| 14 | A | A | -1.1445 | |
| 15 | D | A | -2.1019 | |
| 16 | T | A | -1.3203 | |
| 17 | H | A | -0.9881 | |
| 18 | S | A | -0.2929 | |
| 19 | A | A | -0.3028 | |
| 20 | L | A | 0.3772 | |
| 21 | E | A | -1.1606 | |
| 22 | V | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | N | A | -0.3841 | |
| 25 | L | A | 0.3408 | |
| 26 | Q | A | 0.0000 | |
| 27 | K | A | -0.6672 | |
| 28 | V | A | 1.1651 | |
| 29 | A | A | 0.2293 | |
| 30 | S | A | -0.7090 | |
| 31 | S | A | -0.7124 | |
| 32 | A | A | -0.7427 | |
| 33 | R | A | -1.6260 | |
| 34 | R | A | -2.5636 | |
| 35 | G | A | -2.1927 | |
| 36 | K | A | -2.4951 | |
| 37 | F | A | -1.4440 | |
| 38 | G | A | -1.0715 | |
| 39 | I | A | -0.2961 | |
| 40 | A | A | -0.4615 | |
| 41 | E | A | -0.9965 | |
| 42 | R | A | 0.0000 | |
| 43 | I | A | -0.3132 | |
| 44 | A | A | -0.0665 | |
| 45 | A | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | N | A | -0.6211 | |
| 48 | L | A | -0.1238 | |
| 49 | L | A | 0.0000 | |
| 50 | K | A | -1.5150 | |
| 51 | E | A | -2.1449 | |
| 52 | T | A | -1.9059 | |
| 53 | I | A | 0.0000 | |
| 54 | Q | A | -2.2726 | |
| 55 | R | A | -3.0249 | |
| 56 | R | A | -2.0870 | |
| 57 | E | A | -1.6628 | |
| 58 | P | A | -1.3149 | |
| 59 | E | A | -1.5112 | |
| 60 | I | A | 0.0000 | |
| 61 | I | A | -0.5046 | |
| 62 | A | A | -0.5951 | |
| 63 | A | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | A | A | -0.9605 | |
| 66 | A | A | -0.6266 | |
| 67 | D | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | R | A | -2.0453 | |
| 70 | K | A | 0.0000 | |
| 71 | P | A | 0.0000 | |
| 72 | A | A | -0.6248 | |
| 73 | S | A | -0.5273 | |
| 74 | E | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | K | A | -0.2676 | |
| 77 | L | A | 0.5852 | |
| 78 | T | A | 0.3772 | |
| 79 | E | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | F | A | 0.8726 | |
| 82 | P | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | L | A | -0.1517 | |
| 85 | Q | A | -0.1841 | |
| 86 | E | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | N | A | -1.2057 | |
| 89 | H | A | -1.2971 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -1.7874 | |
| 92 | R | A | -2.8802 | |
| 93 | N | A | -2.4930 | |
| 94 | L | A | 0.0000 | |
| 95 | K | A | -3.3370 | |
| 96 | D | A | -3.5853 | |
| 97 | W | A | 0.0000 | |
| 98 | M | A | -2.2649 | |
| 99 | K | A | -3.3547 | |
| 100 | P | A | -2.5278 | |
| 101 | R | A | -2.4469 | |
| 102 | R | A | -2.6372 | |
| 103 | V | A | -0.9079 | |
| 104 | R | A | -1.8511 | |
| 105 | A | A | -0.5434 | |
| 106 | A | A | 0.4884 | |
| 107 | L | A | 1.6623 | |
| 108 | S | A | 1.4609 | |
| 109 | V | A | 0.9027 | |
| 110 | A | A | 0.5972 | |
| 111 | G | A | 0.0421 | |
| 112 | T | A | -0.7565 | |
| 113 | R | A | -1.6959 | |
| 114 | A | A | -0.6758 | |
| 115 | G | A | -1.3361 | |
| 116 | L | A | -1.8350 | |
| 117 | R | A | -3.0712 | |
| 118 | Y | A | -2.5751 | |
| 119 | E | A | -2.5239 | |
| 120 | P | A | 0.0000 | |
| 121 | K | A | -1.4811 | |
| 122 | G | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | C | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | P | A | -0.0210 | |
| 130 | W | A | 0.1270 | |
| 131 | N | A | 0.0000 | |
| 132 | Y | A | 0.1703 | |
| 133 | P | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | N | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | G | A | -0.0921 | |
| 140 | P | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | N | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | K | A | 0.0000 | |
| 155 | P | A | 0.0000 | |
| 156 | S | A | -0.7534 | |
| 157 | E | A | -1.4765 | |
| 158 | L | A | -0.2032 | |
| 159 | T | A | 0.0000 | |
| 160 | P | A | -0.8492 | |
| 161 | H | A | -1.0205 | |
| 162 | T | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | T | A | -0.6200 | |
| 165 | L | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | S | A | -1.1491 | |
| 169 | I | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | R | A | -2.7773 | |
| 172 | E | A | -2.6086 | |
| 173 | A | A | 0.0000 | |
| 174 | F | A | -0.7787 | |
| 175 | S | A | -0.6931 | |
| 176 | V | A | -0.3197 | |
| 177 | D | A | -0.1216 | |
| 178 | L | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | V | A | -0.1421 | |
| 182 | V | A | -0.2594 | |
| 183 | E | A | -1.1473 | |
| 184 | G | A | -1.4142 | |
| 185 | D | A | -1.9787 | |
| 186 | A | A | -1.2513 | |
| 187 | A | A | -1.2075 | |
| 188 | V | A | -1.4401 | |
| 189 | S | A | -1.5239 | |
| 190 | Q | A | -2.0351 | |
| 191 | E | A | -2.0269 | |
| 192 | L | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | A | A | -0.9367 | |
| 195 | L | A | -0.5328 | |
| 196 | P | A | -0.5473 | |
| 197 | F | A | 0.0000 | |
| 198 | D | A | -0.9811 | |
| 199 | H | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | F | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | G | A | -0.3007 | |
| 205 | S | A | -0.9532 | |
| 206 | P | A | -1.4630 | |
| 207 | R | A | -2.0284 | |
| 208 | V | A | -0.6922 | |
| 209 | G | A | 0.0000 | |
| 210 | K | A | -2.0178 | |
| 211 | L | A | -0.7181 | |
| 212 | V | A | 0.0000 | |
| 213 | M | A | -0.5919 | |
| 214 | E | A | -1.8853 | |
| 215 | A | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | S | A | -0.8027 | |
| 218 | K | A | -1.6847 | |
| 219 | T | A | -0.5658 | |
| 220 | L | A | 0.6211 | |
| 221 | A | A | 0.0639 | |
| 222 | S | A | 0.1273 | |
| 223 | V | A | 0.4628 | |
| 224 | T | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | G | A | -1.2945 | |
| 230 | K | A | -1.2863 | |
| 231 | S | A | 0.0000 | |
| 232 | P | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | G | A | 0.0000 | |
| 237 | P | A | -0.9593 | |
| 238 | T | A | -1.2972 | |
| 239 | A | A | -1.4613 | |
| 240 | N | A | -1.7545 | |
| 241 | L | A | 0.0000 | |
| 242 | P | A | -1.9074 | |
| 243 | K | A | -2.2535 | |
| 244 | A | A | 0.0000 | |
| 245 | A | A | 0.0000 | |
| 246 | R | A | -2.5821 | |
| 247 | N | A | -1.2196 | |
| 248 | I | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | W | A | -0.1188 | |
| 251 | G | A | 0.0000 | |
| 252 | K | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | S | A | -0.1569 | |
| 255 | N | A | 0.0000 | |
| 256 | N | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | Q | A | 0.0000 | |
| 259 | T | A | 0.0000 | |
| 260 | C | A | 0.0162 | |
| 261 | I | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | P | A | 0.0000 | |
| 264 | D | A | 0.0000 | |
| 265 | H | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | H | A | -1.8836 | |
| 270 | R | A | -2.8587 | |
| 271 | C | A | -0.9725 | |
| 272 | I | A | -1.1011 | |
| 273 | A | A | 0.0000 | |
| 274 | Q | A | -2.6072 | |
| 275 | K | A | -2.7638 | |
| 276 | F | A | 0.0000 | |
| 277 | N | A | -1.7271 | |
| 278 | E | A | -2.5135 | |
| 279 | I | A | -1.9287 | |
| 280 | L | A | 0.0000 | |
| 281 | V | A | -1.2184 | |
| 282 | K | A | -2.6098 | |
| 283 | E | A | -2.0165 | |
| 284 | I | A | 0.0000 | |
| 285 | V | A | -1.5338 | |
| 286 | R | A | -2.2664 | |
| 287 | V | A | -1.0316 | |
| 288 | Y | A | 0.0000 | |
| 289 | G | A | -1.7107 | |
| 290 | K | A | -2.2786 | |
| 291 | D | A | -1.4875 | |
| 292 | F | A | -0.7745 | |
| 293 | A | A | -0.9313 | |
| 294 | A | A | -1.2930 | |
| 295 | Q | A | 0.0000 | |
| 296 | R | A | -2.0492 | |
| 297 | R | A | -2.4128 | |
| 298 | S | A | -1.6144 | |
| 299 | A | A | -1.6832 | |
| 300 | D | A | -2.2771 | |
| 301 | Y | A | 0.0000 | |
| 302 | C | A | 0.0000 | |
| 303 | R | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | N | A | -1.6301 | |
| 307 | D | A | -3.0718 | |
| 308 | Q | A | -2.7728 | |
| 309 | H | A | -2.0424 | |
| 310 | F | A | 0.0000 | |
| 311 | N | A | -2.9054 | |
| 312 | R | A | -2.1587 | |
| 313 | I | A | 0.0000 | |
| 314 | N | A | -1.8242 | |
| 315 | K | A | -2.3478 | |
| 316 | L | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | T | A | -1.4320 | |
| 319 | D | A | -1.6621 | |
| 320 | A | A | 0.0000 | |
| 321 | K | A | -2.2854 | |
| 322 | A | A | -1.4343 | |
| 323 | K | A | -2.1157 | |
| 324 | G | A | -1.9402 | |
| 325 | A | A | 0.0000 | |
| 326 | K | A | -2.2221 | |
| 327 | I | A | -0.7112 | |
| 328 | L | A | 0.0111 | |
| 329 | Q | A | -0.6546 | |
| 330 | G | A | -0.3226 | |
| 331 | G | A | -0.5518 | |
| 332 | Q | A | -0.8707 | |
| 333 | V | A | -0.5299 | |
| 334 | D | A | -0.8388 | |
| 335 | A | A | -1.0951 | |
| 336 | T | A | -0.7756 | |
| 337 | E | A | -1.3827 | |
| 338 | R | A | -1.6374 | |
| 339 | L | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | T | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | S | A | -1.2295 | |
| 347 | N | A | -2.0302 | |
| 348 | V | A | -1.2598 | |
| 349 | T | A | -0.5831 | |
| 350 | A | A | -0.2833 | |
| 351 | A | A | -0.5592 | |
| 352 | M | A | 0.0000 | |
| 353 | D | A | -1.9596 | |
| 354 | I | A | 0.0000 | |
| 355 | N | A | -1.3219 | |
| 356 | H | A | -2.1044 | |
| 357 | E | A | -2.1606 | |
| 358 | E | A | -1.3178 | |
| 359 | I | A | 0.0000 | |
| 360 | F | A | -0.0915 | |
| 361 | G | A | 0.0000 | |
| 362 | P | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | P | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | I | A | -0.6617 | |
| 368 | E | A | -2.0261 | |
| 369 | Y | A | 0.0000 | |
| 370 | D | A | -3.3424 | |
| 371 | D | A | -3.1331 | |
| 372 | I | A | -1.8912 | |
| 373 | D | A | -2.5681 | |
| 374 | S | A | -2.3672 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | K | A | -3.5462 | |
| 378 | R | A | -3.1341 | |
| 379 | V | A | 0.0000 | |
| 380 | N | A | -3.8055 | |
| 381 | D | A | -3.8345 | |
| 382 | G | A | -3.4250 | |
| 383 | D | A | -3.4430 | |
| 384 | K | A | -2.6745 | |
| 385 | P | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | Y | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | F | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | E | A | -3.0058 | |
| 394 | D | A | -3.1036 | |
| 395 | K | A | -3.3330 | |
| 396 | Q | A | -2.6906 | |
| 397 | F | A | -1.6777 | |
| 398 | V | A | 0.0000 | |
| 399 | N | A | -1.5748 | |
| 400 | N | A | -1.1812 | |
| 401 | I | A | 0.0000 | |
| 402 | V | A | 0.4367 | |
| 403 | A | A | -0.2365 | |
| 404 | R | A | -1.3289 | |
| 405 | T | A | -0.9233 | |
| 406 | S | A | -0.7922 | |
| 407 | S | A | -0.6496 | |
| 408 | G | A | -0.2586 | |
| 409 | S | A | 0.4044 | |
| 410 | V | A | 0.9880 | |
| 411 | G | A | 0.0000 | |
| 412 | V | A | 0.5415 | |
| 413 | N | A | -0.3472 | |
| 414 | L | A | 0.2695 | |
| 415 | S | A | 0.0000 | |
| 416 | V | A | 0.7500 | |
| 417 | V | A | 0.7999 | |
| 418 | H | A | 0.0000 | |
| 419 | F | A | 0.3105 | |
| 420 | L | A | 0.2848 | |
| 421 | H | A | -0.6367 | |
| 422 | P | A | -0.6803 | |
| 423 | N | A | -1.0814 | |
| 424 | L | A | -0.1536 | |
| 425 | P | A | -0.1700 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.1460 | |
| 428 | G | A | -0.2617 | |
| 429 | V | A | -0.4991 | |
| 430 | N | A | -1.5607 | |
| 431 | N | A | -2.0589 | |
| 432 | S | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | I | A | 0.5804 | |
| 435 | G | A | -0.0607 | |
| 436 | S | A | -0.0023 | |
| 437 | A | A | 0.0000 | |
| 438 | H | A | -0.2824 | |
| 439 | G | A | 0.0000 | |
| 440 | V | A | -0.1829 | |
| 441 | Y | A | -0.0702 | |
| 442 | G | A | 0.0000 | |
| 443 | F | A | 0.0000 | |
| 444 | R | A | -1.4316 | |
| 445 | A | A | -0.7787 | |
| 446 | F | A | 0.0000 | |
| 447 | S | A | 0.0000 | |
| 448 | H | A | -2.7175 | |
| 449 | E | A | -3.0506 | |
| 450 | K | A | -2.8276 | |
| 451 | P | A | -1.1474 | |
| 452 | V | A | -0.1762 | |
| 453 | L | A | 0.9983 | |
| 454 | I | A | 0.0064 | |
| 455 | D | A | -1.4780 | |
| 456 | K | A | -1.4792 | |
| 457 | F | A | 0.6804 | |
| 458 | S | A | 0.0000 | |
| 459 | I | A | 1.0206 | |
| 460 | T | A | 0.8705 | |
| 461 | H | A | 0.6956 | |
| 462 | W | A | 1.4738 | |
| 463 | L | A | 1.2035 | |
| 464 | F | A | 2.0306 | |
| 465 | P | A | 0.9543 | |
| 466 | P | A | 0.3269 | |
| 467 | Y | A | 0.5113 | |
| 468 | T | A | -1.1255 | |
| 469 | K | A | -2.9172 | |
| 470 | K | A | -2.8418 | |
| 471 | V | A | -0.9560 | |
| 472 | K | A | -2.1021 | |
| 473 | Q | A | -2.0499 | |
| 474 | L | A | -0.4733 | |
| 475 | I | A | 0.3039 | |
| 476 | G | A | 0.0304 | |
| 477 | I | A | 0.9578 | |
| 478 | T | A | 1.3366 | |
| 479 | V | A | 1.7151 | |
| 480 | K | A | 0.2574 | |
| 481 | Y | A | 1.6261 | |
| 482 | L | A | 1.6932 | |
| 483 | S | A | 0.7180 |
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