| Chain sequence(s) |
A: MLLQNFSNTIFLLCLFFTLLSATKPLNLTLPHQHPSPDSVALHVIRSVNESLARRQLSSPSSSSSSSSSSSSSSCRTGNPIDDCWRCSDADWSTNRQRLADCSIGFGHGTLGGKNGKIYVVTDSSDNNPTNPTPGTLRYGVIQEEPLWIVFSSNMLIRLKQELIINSYKTLDGRGSAVHITGNGCLTLQYVQHIIIHNLHIYDCKPSAGFEKRGRSDGDGISIFGSQKIWVDHCSMSHCTDGLIDAVMGSTAITISNNYFTHHDEVMLLGHDDNYAPDTGMQVTIAFNHFGQGLVQRMPRCRRGYIHVVNNDFTEWKMYAIGGSGNPTINSQGNRYSAPSDPSAKEVTKRVDSKDDGEWSNWNWRTEGDLMENGAFFVASGEGMSSMYSKASSVDPKAASLVDQLTRNAGVFGGPRDDQGQSGNSYSPYGGDGGGGGSSGGSSGGGMDVMGGTTRGSSSSSGDDSNVFQMIFGSDAPSRPRLTLLFSLLMISVLSLSTLLL
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 (00:04:10)
[INFO] Main: Simulation completed successfully. (00:04:13)
|
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 | 1.9129 | |
| 2 | L | A | 2.4564 | |
| 3 | L | A | 2.0432 | |
| 4 | Q | A | -0.1123 | |
| 5 | N | A | -0.0343 | |
| 6 | F | A | 2.3016 | |
| 7 | S | A | 1.3253 | |
| 8 | N | A | 0.5645 | |
| 9 | T | A | 1.9740 | |
| 10 | I | A | 4.0776 | |
| 11 | F | A | 4.6436 | |
| 12 | L | A | 4.6962 | |
| 13 | L | A | 4.7479 | |
| 14 | C | A | 4.6213 | |
| 15 | L | A | 5.0341 | |
| 16 | F | A | 5.5388 | |
| 17 | F | A | 4.7472 | |
| 18 | T | A | 3.0692 | |
| 19 | L | A | 3.3988 | |
| 20 | L | A | 2.5260 | |
| 21 | S | A | 1.2905 | |
| 22 | A | A | 1.2289 | |
| 23 | T | A | 0.3960 | |
| 24 | K | A | -1.1199 | |
| 25 | P | A | -0.4248 | |
| 26 | L | A | 0.7885 | |
| 27 | N | A | -0.2373 | |
| 28 | L | A | 1.2549 | |
| 29 | T | A | 0.2041 | |
| 30 | L | A | -0.0944 | |
| 31 | P | A | -0.6127 | |
| 32 | H | A | -1.2292 | |
| 33 | Q | A | -1.0349 | |
| 34 | H | A | -1.0557 | |
| 35 | P | A | -0.8257 | |
| 36 | S | A | -0.6845 | |
| 37 | P | A | -0.7090 | |
| 38 | D | A | -0.7958 | |
| 39 | S | A | -0.5611 | |
| 40 | V | A | -0.7545 | |
| 41 | A | A | 0.0000 | |
| 42 | L | A | -0.8150 | |
| 43 | H | A | -1.4476 | |
| 44 | V | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | R | A | -2.5340 | |
| 47 | S | A | -1.6260 | |
| 48 | V | A | 0.0000 | |
| 49 | N | A | -2.5739 | |
| 50 | E | A | -2.7714 | |
| 51 | S | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | A | A | -1.6030 | |
| 54 | R | A | -2.1949 | |
| 55 | R | A | -2.2496 | |
| 56 | Q | A | -1.6331 | |
| 57 | L | A | 0.1007 | |
| 58 | S | A | -0.6692 | |
| 59 | S | A | -0.7730 | |
| 60 | P | A | -0.4900 | |
| 61 | S | A | -0.4818 | |
| 62 | S | A | -0.5728 | |
| 63 | S | A | -0.6016 | |
| 64 | S | A | -0.6319 | |
| 65 | S | A | -0.5996 | |
| 66 | S | A | -0.6089 | |
| 67 | S | A | -0.5910 | |
| 68 | S | A | -0.5786 | |
| 69 | S | A | -0.6009 | |
| 70 | S | A | -0.6424 | |
| 71 | S | A | -0.8083 | |
| 72 | S | A | -0.9612 | |
| 73 | S | A | -0.9096 | |
| 74 | S | A | -0.6657 | |
| 75 | C | A | -0.6399 | |
| 76 | R | A | -1.4104 | |
| 77 | T | A | -1.2077 | |
| 78 | G | A | 0.0000 | |
| 79 | N | A | 0.0000 | |
| 80 | P | A | -0.7298 | |
| 81 | I | A | 0.0000 | |
| 82 | D | A | 0.0000 | |
| 83 | D | A | -0.5915 | |
| 84 | C | A | -0.3796 | |
| 85 | W | A | 0.0000 | |
| 86 | R | A | -0.8653 | |
| 87 | C | A | -0.8571 | |
| 88 | S | A | -1.3584 | |
| 89 | D | A | -2.1955 | |
| 90 | A | A | -1.8752 | |
| 91 | D | A | -2.2459 | |
| 92 | W | A | -1.1842 | |
| 93 | S | A | -1.0257 | |
| 94 | T | A | -1.0938 | |
| 95 | N | A | -1.5183 | |
| 96 | R | A | -1.2711 | |
| 97 | Q | A | -1.4067 | |
| 98 | R | A | -1.4507 | |
| 99 | L | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | D | A | -2.1168 | |
| 102 | C | A | 0.0000 | |
| 103 | S | A | 0.0000 | |
| 104 | I | A | -0.6664 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | H | A | -1.3191 | |
| 109 | G | A | -1.1651 | |
| 110 | T | A | 0.0000 | |
| 111 | L | A | -0.4443 | |
| 112 | G | A | 0.0000 | |
| 113 | G | A | 0.0000 | |
| 114 | K | A | -1.6748 | |
| 115 | N | A | -1.8646 | |
| 116 | G | A | -1.9418 | |
| 117 | K | A | -1.9250 | |
| 118 | I | A | -0.1900 | |
| 119 | Y | A | 0.4028 | |
| 120 | V | A | 0.7010 | |
| 121 | V | A | 0.0000 | |
| 122 | T | A | -0.4998 | |
| 123 | D | A | -0.8130 | |
| 124 | S | A | -1.1295 | |
| 125 | S | A | -1.4711 | |
| 126 | D | A | -2.1140 | |
| 127 | N | A | -2.4910 | |
| 128 | N | A | -2.1599 | |
| 129 | P | A | -1.5515 | |
| 130 | T | A | -1.3388 | |
| 131 | N | A | -1.7773 | |
| 132 | P | A | -1.1275 | |
| 133 | T | A | -0.9396 | |
| 134 | P | A | -0.3690 | |
| 135 | G | A | -0.2022 | |
| 136 | T | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | R | A | 0.0000 | |
| 139 | Y | A | 0.1650 | |
| 140 | G | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | I | A | 0.3510 | |
| 143 | Q | A | -1.1136 | |
| 144 | E | A | -2.6108 | |
| 145 | E | A | -2.9459 | |
| 146 | P | A | -1.9891 | |
| 147 | L | A | 0.0000 | |
| 148 | W | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | S | A | -0.5337 | |
| 153 | S | A | -0.9824 | |
| 154 | N | A | -1.4347 | |
| 155 | M | A | 0.0000 | |
| 156 | L | A | -0.4698 | |
| 157 | I | A | 0.0000 | |
| 158 | R | A | -2.4709 | |
| 159 | L | A | 0.0000 | |
| 160 | K | A | -2.4962 | |
| 161 | Q | A | -1.6386 | |
| 162 | E | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | I | A | 0.7073 | |
| 165 | I | A | 0.0000 | |
| 166 | N | A | -0.3957 | |
| 167 | S | A | -0.4665 | |
| 168 | Y | A | -0.6398 | |
| 169 | K | A | 0.0000 | |
| 170 | T | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | D | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | R | A | 0.0000 | |
| 175 | G | A | -0.7529 | |
| 176 | S | A | -0.8823 | |
| 177 | A | A | -0.6786 | |
| 178 | V | A | 0.0000 | |
| 179 | H | A | -0.5980 | |
| 180 | I | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | G | A | -1.8256 | |
| 183 | N | A | -2.1038 | |
| 184 | G | A | 0.0000 | |
| 185 | C | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | 0.6279 | |
| 190 | Y | A | 1.1723 | |
| 191 | V | A | 0.0000 | |
| 192 | Q | A | -0.1356 | |
| 193 | H | A | -0.2167 | |
| 194 | I | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | H | A | 0.0000 | |
| 198 | N | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | H | A | -0.0716 | |
| 201 | I | A | 0.0000 | |
| 202 | Y | A | -0.4766 | |
| 203 | D | A | -1.2363 | |
| 204 | C | A | 0.0000 | |
| 205 | K | A | -2.3156 | |
| 206 | P | A | -1.9379 | |
| 207 | S | A | 0.0000 | |
| 208 | A | A | -1.3881 | |
| 209 | G | A | -1.8419 | |
| 210 | F | A | -1.3434 | |
| 211 | E | A | -2.1535 | |
| 212 | K | A | -1.8862 | |
| 213 | R | A | -1.5923 | |
| 214 | G | A | -1.7308 | |
| 215 | R | A | -2.3507 | |
| 216 | S | A | -1.8543 | |
| 217 | D | A | -1.9270 | |
| 218 | G | A | 0.0000 | |
| 219 | D | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | S | A | -0.0645 | |
| 223 | I | A | 0.0000 | |
| 224 | F | A | 0.5266 | |
| 225 | G | A | 0.4316 | |
| 226 | S | A | 0.0000 | |
| 227 | Q | A | -0.3279 | |
| 228 | K | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | W | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | D | A | 0.0000 | |
| 233 | H | A | 0.0000 | |
| 234 | C | A | 0.0000 | |
| 235 | S | A | 0.0000 | |
| 236 | M | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | H | A | -0.9742 | |
| 239 | C | A | 0.0000 | |
| 240 | T | A | -1.4789 | |
| 241 | D | A | -1.8161 | |
| 242 | G | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | D | A | -0.3984 | |
| 246 | A | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | M | A | 0.0719 | |
| 249 | G | A | 0.0656 | |
| 250 | S | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | T | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | N | A | 0.0000 | |
| 258 | N | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | F | A | 0.0000 | |
| 261 | T | A | 0.0000 | |
| 262 | H | A | -1.2998 | |
| 263 | H | A | 0.0000 | |
| 264 | D | A | -1.5667 | |
| 265 | E | A | -1.2769 | |
| 266 | V | A | 0.0000 | |
| 267 | M | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | G | A | 0.0000 | |
| 271 | H | A | -1.1732 | |
| 272 | D | A | -1.5696 | |
| 273 | D | A | -1.9314 | |
| 274 | N | A | -1.7170 | |
| 275 | Y | A | -0.8553 | |
| 276 | A | A | -0.5138 | |
| 277 | P | A | -0.0799 | |
| 278 | D | A | 0.0000 | |
| 279 | T | A | -0.3910 | |
| 280 | G | A | 0.0000 | |
| 281 | M | A | 0.0000 | |
| 282 | Q | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | T | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | A | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | N | A | 0.0000 | |
| 289 | H | A | -0.7471 | |
| 290 | F | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | Q | A | -1.7416 | |
| 293 | G | A | -1.8410 | |
| 294 | L | A | 0.0000 | |
| 295 | V | A | -1.3394 | |
| 296 | Q | A | -1.0501 | |
| 297 | R | A | -0.6524 | |
| 298 | M | A | 0.0000 | |
| 299 | P | A | 0.0000 | |
| 300 | R | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | R | A | -1.2405 | |
| 303 | R | A | -1.2743 | |
| 304 | G | A | -0.5045 | |
| 305 | Y | A | -0.3410 | |
| 306 | I | A | 0.0000 | |
| 307 | H | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | N | A | 0.0000 | |
| 311 | N | A | 0.0000 | |
| 312 | D | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | T | A | -1.0067 | |
| 315 | E | A | -2.1825 | |
| 316 | W | A | 0.0000 | |
| 317 | K | A | -2.1624 | |
| 318 | M | A | -0.7798 | |
| 319 | Y | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | I | A | 0.0000 | |
| 322 | G | A | 0.0000 | |
| 323 | G | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | G | A | -1.6694 | |
| 326 | N | A | -1.8078 | |
| 327 | P | A | 0.0000 | |
| 328 | T | A | -0.5031 | |
| 329 | I | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | Q | A | 0.0000 | |
| 333 | G | A | 0.0000 | |
| 334 | N | A | 0.0000 | |
| 335 | R | A | -0.6461 | |
| 336 | Y | A | 0.0000 | |
| 337 | S | A | -0.9723 | |
| 338 | A | A | 0.0000 | |
| 339 | P | A | -1.9208 | |
| 340 | S | A | -1.6818 | |
| 341 | D | A | -2.2711 | |
| 342 | P | A | -1.4502 | |
| 343 | S | A | -1.1090 | |
| 344 | A | A | 0.0000 | |
| 345 | K | A | -1.3209 | |
| 346 | E | A | -0.4580 | |
| 347 | V | A | 0.0000 | |
| 348 | T | A | 0.0000 | |
| 349 | K | A | -1.3476 | |
| 350 | R | A | -1.7666 | |
| 351 | V | A | -1.4019 | |
| 352 | D | A | -2.6374 | |
| 353 | S | A | -3.1012 | |
| 354 | K | A | -3.6134 | |
| 355 | D | A | -4.0579 | |
| 356 | D | A | -3.6923 | |
| 357 | G | A | -3.0075 | |
| 358 | E | A | -3.5044 | |
| 359 | W | A | -2.5552 | |
| 360 | S | A | -2.3435 | |
| 361 | N | A | -2.6102 | |
| 362 | W | A | 0.0000 | |
| 363 | N | A | -1.2181 | |
| 364 | W | A | 0.0000 | |
| 365 | R | A | -0.6692 | |
| 366 | T | A | -0.6554 | |
| 367 | E | A | -1.6555 | |
| 368 | G | A | -1.4611 | |
| 369 | D | A | -0.5795 | |
| 370 | L | A | 0.0957 | |
| 371 | M | A | -0.0918 | |
| 372 | E | A | -1.2183 | |
| 373 | N | A | -1.9851 | |
| 374 | G | A | -1.2708 | |
| 375 | A | A | 0.0000 | |
| 376 | F | A | 1.0073 | |
| 377 | F | A | 0.7761 | |
| 378 | V | A | 0.6401 | |
| 379 | A | A | 0.1214 | |
| 380 | S | A | -0.8309 | |
| 381 | G | A | -1.7222 | |
| 382 | E | A | -2.3235 | |
| 383 | G | A | -1.0588 | |
| 384 | M | A | 0.0143 | |
| 385 | S | A | -0.3440 | |
| 386 | S | A | -0.1396 | |
| 387 | M | A | 0.9002 | |
| 388 | Y | A | 0.7281 | |
| 389 | S | A | -0.6338 | |
| 390 | K | A | -1.2145 | |
| 391 | A | A | -0.2966 | |
| 392 | S | A | -0.4722 | |
| 393 | S | A | -0.8172 | |
| 394 | V | A | -1.3885 | |
| 395 | D | A | -2.4734 | |
| 396 | P | A | -1.9085 | |
| 397 | K | A | -1.8859 | |
| 398 | A | A | -0.8832 | |
| 399 | A | A | 0.0000 | |
| 400 | S | A | -0.6707 | |
| 401 | L | A | -0.8760 | |
| 402 | V | A | 0.0000 | |
| 403 | D | A | -2.4770 | |
| 404 | Q | A | -1.6433 | |
| 405 | L | A | 0.0000 | |
| 406 | T | A | 0.0000 | |
| 407 | R | A | -2.6302 | |
| 408 | N | A | -1.4261 | |
| 409 | A | A | 0.0000 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | -0.0006 | |
| 412 | F | A | 0.0318 | |
| 413 | G | A | -0.6154 | |
| 414 | G | A | -0.8732 | |
| 415 | P | A | -1.4459 | |
| 416 | R | A | -2.1630 | |
| 417 | D | A | -2.2930 | |
| 418 | D | A | -2.3111 | |
| 419 | Q | A | -2.4486 | |
| 420 | G | A | -2.1033 | |
| 421 | Q | A | -2.3210 | |
| 422 | S | A | -1.5882 | |
| 423 | G | A | -1.3673 | |
| 424 | N | A | -1.7259 | |
| 425 | S | A | -0.9427 | |
| 426 | Y | A | -0.1876 | |
| 427 | S | A | -0.0239 | |
| 428 | P | A | 0.2718 | |
| 429 | Y | A | 0.6008 | |
| 430 | G | A | -0.6308 | |
| 431 | G | A | -1.3540 | |
| 432 | D | A | -2.3575 | |
| 433 | G | A | -1.9302 | |
| 434 | G | A | -1.5885 | |
| 435 | G | A | -1.3986 | |
| 436 | G | A | -1.1475 | |
| 437 | G | A | -0.9554 | |
| 438 | S | A | -0.7487 | |
| 439 | S | A | -0.7603 | |
| 440 | G | A | -0.9050 | |
| 441 | G | A | -0.9018 | |
| 442 | S | A | -0.7487 | |
| 443 | S | A | -0.7510 | |
| 444 | G | A | -0.9576 | |
| 445 | G | A | -0.7756 | |
| 446 | G | A | -0.6213 | |
| 447 | M | A | 0.2077 | |
| 448 | D | A | -0.2306 | |
| 449 | V | A | 1.4999 | |
| 450 | M | A | 1.1710 | |
| 451 | G | A | 0.2032 | |
| 452 | G | A | -0.7086 | |
| 453 | T | A | -0.9444 | |
| 454 | T | A | -1.3219 | |
| 455 | R | A | -2.2562 | |
| 456 | G | A | -1.5957 | |
| 457 | S | A | -1.1312 | |
| 458 | S | A | -0.8763 | |
| 459 | S | A | -0.6491 | |
| 460 | S | A | -0.8811 | |
| 461 | S | A | -1.0504 | |
| 462 | G | A | -1.9812 | |
| 463 | D | A | -3.1840 | |
| 464 | D | A | -2.8808 | |
| 465 | S | A | -1.2993 | |
| 466 | N | A | -0.7761 | |
| 467 | V | A | 1.5103 | |
| 468 | F | A | 2.4415 | |
| 469 | Q | A | 0.0873 | |
| 470 | M | A | 0.5290 | |
| 471 | I | A | 1.8791 | |
| 472 | F | A | 1.1285 | |
| 473 | G | A | -0.0515 | |
| 474 | S | A | -0.7834 | |
| 475 | D | A | -1.9270 | |
| 476 | A | A | -1.4278 | |
| 477 | P | A | -1.4483 | |
| 478 | S | A | -1.8646 | |
| 479 | R | A | -2.1143 | |
| 480 | P | A | -0.7788 | |
| 481 | R | A | -0.5984 | |
| 482 | L | A | 1.7543 | |
| 483 | T | A | 1.7877 | |
| 484 | L | A | 2.3482 | |
| 485 | L | A | 3.4543 | |
| 486 | F | A | 4.1858 | |
| 487 | S | A | 3.5026 | |
| 488 | L | A | 4.4374 | |
| 489 | L | A | 4.2922 | |
| 490 | M | A | 4.3778 | |
| 491 | I | A | 4.5377 | |
| 492 | S | A | 3.3145 | |
| 493 | V | A | 3.5799 | |
| 494 | L | A | 3.7754 | |
| 495 | S | A | 2.8409 | |
| 496 | L | A | 3.6100 | |
| 497 | S | A | 2.8861 | |
| 498 | T | A | 2.5268 | |
| 499 | L | A | 3.3510 | |
| 500 | L | A | 3.3144 | |
| 501 | L | A | 2.9080 |
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