| Chain sequence(s) |
A: CDTVDLGYQCSPATSHLWGQYSPFFSLEDELSVSSKLPKDCRITLVQVLSRHGARYPTSSKSKKYKKLVTAIQANATDFKGKFAFLKTYNYTLGADDLTPFGEQQLVNSGIKFYQRYKALARSVVPFIRASGSDRVIASGEKFIEGFQQAKLADPGATNRAAPAISVIIPESETFNNTLDHGVCTKFEASQLGDEVAANFTALFAPDIRARAEKHLPGVTLTDEDVVSLMDMCSFDTVARTSDASQLSPFCQLFTHNEWKKYNYLQSLGKYYGYGAGNPLGPAQGIGFTNELIARLTRSPVQDHTSTNSTLVSNPATFPLNATMYVDFSHDNSMVSIFFALGLYNGTEPLSRTSVESAKELDGYSASWVVPFGARAYFETMQCKSEKEPLVRALINDRVVPLHGCDVDKLGRCKLNDFVKGLSWARSGGNWGECF
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:11)
[INFO] Main: Simulation completed successfully. (00:05:13)
|
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 | |
| 8 | C | A | -0.5343 | |
| 9 | D | A | -0.9734 | |
| 10 | T | A | -0.5661 | |
| 11 | V | A | -0.6241 | |
| 12 | D | A | -1.5796 | |
| 13 | L | A | -0.3742 | |
| 14 | G | A | 0.0000 | |
| 15 | Y | A | 0.0000 | |
| 16 | Q | A | -0.8726 | |
| 17 | C | A | -0.4873 | |
| 18 | S | A | -0.3901 | |
| 19 | P | A | -0.5206 | |
| 20 | A | A | -0.5652 | |
| 21 | T | A | -0.5341 | |
| 22 | S | A | 0.0000 | |
| 23 | H | A | -0.4169 | |
| 24 | L | A | -0.5282 | |
| 25 | W | A | 0.0000 | |
| 26 | G | A | 0.0000 | |
| 27 | Q | A | 0.0000 | |
| 28 | Y | A | 0.0000 | |
| 29 | S | A | 0.0000 | |
| 30 | P | A | 0.0000 | |
| 31 | F | A | 0.0000 | |
| 32 | F | A | 0.0000 | |
| 33 | S | A | -0.7656 | |
| 34 | L | A | 0.0000 | |
| 35 | E | A | -1.9013 | |
| 36 | D | A | -2.1438 | |
| 37 | E | A | -1.3257 | |
| 38 | L | A | 0.0387 | |
| 39 | S | A | -0.0328 | |
| 40 | V | A | -0.2697 | |
| 41 | S | A | -0.8264 | |
| 42 | S | A | 0.0000 | |
| 43 | K | A | -1.6838 | |
| 44 | L | A | -0.8620 | |
| 45 | P | A | -1.5095 | |
| 46 | K | A | -3.0620 | |
| 47 | D | A | -3.5656 | |
| 48 | C | A | -2.8679 | |
| 49 | R | A | -2.8445 | |
| 50 | I | A | 0.0000 | |
| 51 | T | A | -0.7251 | |
| 52 | L | A | 0.0000 | |
| 53 | V | A | 0.0000 | |
| 54 | Q | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | R | A | 0.0000 | |
| 59 | H | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | A | A | 0.0000 | |
| 62 | R | A | -0.7819 | |
| 63 | Y | A | -0.5438 | |
| 64 | P | A | 0.0000 | |
| 65 | T | A | -1.1314 | |
| 66 | S | A | -1.3640 | |
| 67 | S | A | -1.5146 | |
| 68 | K | A | -2.0667 | |
| 69 | S | A | -2.1733 | |
| 70 | K | A | -3.4161 | |
| 71 | K | A | -3.3046 | |
| 72 | Y | A | 0.0000 | |
| 73 | K | A | -2.9821 | |
| 74 | K | A | -3.1401 | |
| 75 | L | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | T | A | -1.4523 | |
| 78 | A | A | -1.0845 | |
| 79 | I | A | 0.0000 | |
| 80 | Q | A | -1.4591 | |
| 81 | A | A | -1.0208 | |
| 82 | N | A | -1.6739 | |
| 83 | A | A | -1.6599 | |
| 84 | T | A | -1.2894 | |
| 85 | D | A | -1.9533 | |
| 86 | F | A | -1.9247 | |
| 87 | K | A | -2.5082 | |
| 88 | G | A | -1.9053 | |
| 89 | K | A | -2.3024 | |
| 90 | F | A | 0.0000 | |
| 91 | A | A | -1.4662 | |
| 92 | F | A | -0.8371 | |
| 93 | L | A | 0.0000 | |
| 94 | K | A | -2.0612 | |
| 95 | T | A | -1.0674 | |
| 96 | Y | A | -0.9110 | |
| 97 | N | A | -1.4976 | |
| 98 | Y | A | -0.9119 | |
| 99 | T | A | -0.5482 | |
| 100 | L | A | -0.5190 | |
| 101 | G | A | -0.6436 | |
| 102 | A | A | -1.0369 | |
| 103 | D | A | -1.5553 | |
| 104 | D | A | -2.2237 | |
| 105 | L | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | P | A | -1.2791 | |
| 108 | F | A | 0.0000 | |
| 109 | G | A | 0.0000 | |
| 110 | E | A | -1.7802 | |
| 111 | Q | A | -1.7639 | |
| 112 | Q | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | V | A | -1.3074 | |
| 115 | N | A | -0.8898 | |
| 116 | S | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | I | A | -0.8130 | |
| 119 | K | A | -0.9163 | |
| 120 | F | A | 0.0000 | |
| 121 | Y | A | 0.0000 | |
| 122 | Q | A | -1.8817 | |
| 123 | R | A | -1.4987 | |
| 124 | Y | A | 0.0000 | |
| 125 | K | A | -1.4888 | |
| 126 | A | A | -0.9421 | |
| 127 | L | A | -0.4280 | |
| 128 | A | A | 0.0000 | |
| 129 | R | A | -1.1195 | |
| 130 | S | A | -0.7535 | |
| 131 | V | A | 0.0161 | |
| 132 | V | A | 0.5452 | |
| 133 | P | A | 0.0000 | |
| 134 | F | A | 0.3076 | |
| 135 | I | A | 0.0000 | |
| 136 | R | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | G | A | -0.5420 | |
| 140 | S | A | -1.1992 | |
| 141 | D | A | -2.1290 | |
| 142 | R | A | -1.7937 | |
| 143 | V | A | 0.0000 | |
| 144 | I | A | -0.5576 | |
| 145 | A | A | -1.3866 | |
| 146 | S | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | E | A | -2.3259 | |
| 149 | K | A | -2.1862 | |
| 150 | F | A | 0.0000 | |
| 151 | I | A | -1.5600 | |
| 152 | E | A | -2.7382 | |
| 153 | G | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | Q | A | -0.8922 | |
| 156 | Q | A | -1.2013 | |
| 157 | A | A | -0.6106 | |
| 158 | K | A | 0.0000 | |
| 159 | L | A | 0.7236 | |
| 160 | A | A | 0.4056 | |
| 161 | D | A | 0.0000 | |
| 162 | P | A | -0.0854 | |
| 163 | G | A | -0.4458 | |
| 164 | A | A | 0.0000 | |
| 165 | T | A | -0.8120 | |
| 167 | N | A | -1.1653 | |
| 168 | R | A | -1.0398 | |
| 169 | A | A | -0.4078 | |
| 170 | A | A | -0.2683 | |
| 171 | P | A | 0.0000 | |
| 172 | A | A | 0.0710 | |
| 173 | I | A | 0.2773 | |
| 174 | S | A | 0.2679 | |
| 175 | V | A | 0.0000 | |
| 176 | I | A | 0.9307 | |
| 177 | I | A | 0.0000 | |
| 178 | P | A | -0.5351 | |
| 179 | E | A | -1.1980 | |
| 180 | S | A | -1.3994 | |
| 181 | E | A | -2.1709 | |
| 182 | T | A | -0.9556 | |
| 183 | F | A | -0.6113 | |
| 184 | N | A | -0.8252 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | D | A | -0.8885 | |
| 189 | H | A | -0.9059 | |
| 190 | G | A | -1.2261 | |
| 191 | V | A | -0.8541 | |
| 192 | C | A | 0.0000 | |
| 193 | T | A | -1.1716 | |
| 194 | K | A | -1.9151 | |
| 195 | F | A | 0.0000 | |
| 196 | E | A | -2.0237 | |
| 197 | A | A | -1.3401 | |
| 198 | S | A | -1.7704 | |
| 199 | Q | A | -2.1892 | |
| 200 | L | A | -1.3629 | |
| 201 | G | A | -1.6864 | |
| 202 | D | A | -2.9820 | |
| 203 | E | A | -2.8802 | |
| 204 | V | A | 0.0000 | |
| 205 | A | A | -1.6878 | |
| 206 | A | A | -1.6579 | |
| 207 | N | A | -1.8302 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | 0.0000 | |
| 210 | A | A | -0.1573 | |
| 211 | L | A | 0.7241 | |
| 212 | F | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | P | A | -0.9015 | |
| 215 | D | A | -1.9299 | |
| 216 | I | A | 0.0000 | |
| 217 | R | A | -1.7888 | |
| 218 | A | A | -1.6697 | |
| 219 | R | A | -1.7963 | |
| 220 | A | A | 0.0000 | |
| 221 | E | A | -2.0473 | |
| 222 | K | A | -2.6089 | |
| 223 | H | A | -2.4047 | |
| 224 | L | A | 0.0000 | |
| 225 | P | A | -1.6145 | |
| 226 | G | A | -1.4882 | |
| 227 | V | A | 0.0000 | |
| 228 | T | A | -0.7673 | |
| 229 | L | A | 0.0000 | |
| 230 | T | A | -0.9749 | |
| 231 | D | A | -1.3291 | |
| 232 | E | A | -2.0515 | |
| 233 | D | A | -1.4004 | |
| 234 | V | A | 0.0000 | |
| 235 | V | A | -0.5722 | |
| 236 | S | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | M | A | 0.0000 | |
| 239 | D | A | 0.0000 | |
| 240 | M | A | 0.0000 | |
| 241 | C | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | F | A | 0.0000 | |
| 244 | D | A | 0.0000 | |
| 245 | T | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | A | A | -0.8229 | |
| 248 | R | A | -1.3261 | |
| 249 | T | A | -1.3355 | |
| 250 | S | A | -1.6311 | |
| 251 | D | A | -2.3957 | |
| 252 | A | A | 0.0000 | |
| 253 | S | A | -1.3468 | |
| 254 | Q | A | -1.2767 | |
| 255 | L | A | -0.3658 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | -0.4462 | |
| 258 | F | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | Q | A | -1.1334 | |
| 261 | L | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | T | A | -1.0930 | |
| 264 | H | A | -1.5617 | |
| 265 | N | A | -2.0230 | |
| 266 | E | A | 0.0000 | |
| 267 | W | A | 0.0000 | |
| 268 | K | A | -1.7776 | |
| 269 | K | A | -1.2592 | |
| 270 | Y | A | 0.0000 | |
| 271 | N | A | -0.6879 | |
| 272 | Y | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | Q | A | 0.0000 | |
| 275 | S | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | G | A | -0.6430 | |
| 278 | K | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | Y | A | -0.6731 | |
| 281 | G | A | -0.7761 | |
| 282 | Y | A | 0.0800 | |
| 283 | G | A | 0.0000 | |
| 284 | A | A | -0.4456 | |
| 285 | G | A | -0.2820 | |
| 286 | N | A | 0.0000 | |
| 287 | P | A | -0.4364 | |
| 288 | L | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | P | A | -0.0984 | |
| 291 | A | A | 0.0000 | |
| 292 | Q | A | 0.0000 | |
| 293 | G | A | 0.0000 | |
| 294 | I | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | T | A | 0.0000 | |
| 298 | N | A | 0.0000 | |
| 299 | E | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | I | A | -0.6145 | |
| 302 | A | A | 0.0000 | |
| 303 | R | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | T | A | -1.0232 | |
| 306 | R | A | -1.8224 | |
| 307 | S | A | -1.1354 | |
| 308 | P | A | -0.7761 | |
| 309 | V | A | -0.9492 | |
| 310 | Q | A | -1.7037 | |
| 311 | D | A | -1.5846 | |
| 312 | H | A | -1.6460 | |
| 313 | T | A | 0.0000 | |
| 314 | S | A | 0.0000 | |
| 315 | T | A | -0.5844 | |
| 316 | N | A | -0.5036 | |
| 317 | S | A | -0.7264 | |
| 318 | T | A | -0.3105 | |
| 319 | L | A | -0.1639 | |
| 320 | V | A | -0.3051 | |
| 321 | S | A | -0.5465 | |
| 322 | N | A | -0.8227 | |
| 323 | P | A | -0.6519 | |
| 324 | A | A | -0.2539 | |
| 325 | T | A | -0.0807 | |
| 326 | F | A | 0.0000 | |
| 327 | P | A | -0.6865 | |
| 328 | L | A | -0.9915 | |
| 329 | N | A | -1.5457 | |
| 330 | A | A | -0.4869 | |
| 331 | T | A | -0.2946 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | D | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | S | A | 0.0000 | |
| 338 | H | A | -0.3793 | |
| 339 | D | A | -0.3615 | |
| 340 | N | A | -0.3889 | |
| 341 | S | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | S | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | F | A | 0.0000 | |
| 347 | F | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | -0.7041 | |
| 351 | L | A | 0.0000 | |
| 352 | Y | A | 0.0000 | |
| 353 | N | A | -2.1428 | |
| 354 | G | A | -1.9390 | |
| 355 | T | A | -2.3241 | |
| 356 | E | A | -2.7192 | |
| 357 | P | A | -1.4137 | |
| 358 | L | A | 0.0000 | |
| 359 | S | A | -1.2396 | |
| 360 | R | A | -1.8807 | |
| 361 | T | A | -0.8059 | |
| 362 | S | A | -0.5216 | |
| 363 | V | A | -0.3541 | |
| 364 | E | A | -1.3920 | |
| 365 | S | A | -1.7745 | |
| 366 | A | A | 0.0000 | |
| 367 | K | A | -3.0397 | |
| 368 | E | A | -3.4913 | |
| 369 | L | A | 0.0000 | |
| 370 | D | A | -3.1446 | |
| 371 | G | A | 0.0000 | |
| 372 | Y | A | 0.0000 | |
| 373 | S | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | S | A | 0.0000 | |
| 376 | W | A | 0.1073 | |
| 377 | V | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | P | A | 0.0000 | |
| 380 | F | A | 0.0000 | |
| 381 | G | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | Y | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | E | A | 0.0000 | |
| 388 | T | A | 0.0000 | |
| 389 | M | A | 0.0000 | |
| 390 | Q | A | -3.0063 | |
| 391 | C | A | 0.0000 | |
| 392 | K | A | -3.5959 | |
| 393 | S | A | -2.3490 | |
| 394 | E | A | -2.3597 | |
| 395 | K | A | -2.8549 | |
| 396 | E | A | -2.3876 | |
| 397 | P | A | -1.9629 | |
| 398 | L | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | R | A | 0.0000 | |
| 401 | A | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | N | A | 0.0000 | |
| 405 | D | A | 0.0000 | |
| 406 | R | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | P | A | -0.4093 | |
| 410 | L | A | 0.0000 | |
| 411 | H | A | -1.0705 | |
| 412 | G | A | -1.4265 | |
| 413 | C | A | -1.6667 | |
| 414 | D | A | -1.8203 | |
| 415 | V | A | -0.8688 | |
| 416 | D | A | -1.3374 | |
| 417 | K | A | -1.5173 | |
| 418 | L | A | -0.4146 | |
| 419 | G | A | 0.0000 | |
| 420 | R | A | 0.0000 | |
| 421 | C | A | 0.0000 | |
| 422 | K | A | -2.0447 | |
| 423 | L | A | 0.0000 | |
| 424 | N | A | -2.2085 | |
| 425 | D | A | -2.2941 | |
| 426 | F | A | 0.0000 | |
| 427 | V | A | -1.5704 | |
| 428 | K | A | -2.3704 | |
| 429 | G | A | -1.7893 | |
| 430 | L | A | 0.0000 | |
| 431 | S | A | -0.9000 | |
| 432 | W | A | -0.1836 | |
| 433 | A | A | 0.0000 | |
| 434 | R | A | -1.5736 | |
| 435 | S | A | -0.9709 | |
| 436 | G | A | -1.0002 | |
| 437 | G | A | -0.6576 | |
| 438 | N | A | -0.9827 | |
| 439 | W | A | 0.0000 | |
| 440 | G | A | -1.1352 | |
| 441 | E | A | -1.7230 | |
| 442 | C | A | 0.0000 | |
| 443 | F | A | 0.8325 |
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