| Chain sequence(s) |
A: CDLSCPSNKVCVIENGKQTCKCSERFVLENGVCICANDYKMEDGINCIAKNKCKRKEYENICTNPNEMCAYNEETDIVKCECKEHYYRSSRGECILNDYCKDINCKENEECSIVNFKPECVCKENLKKNNKGECIYENSCLINEGNCPKDSKCIYREYKPHECVCNKQGHVAVNGKCVLEDKCVHNKKCSENSICVNVMNKEPICVCTYNYYKKDAEAAAKAEAAAKAEAAAKAESQVRQQFSKDIEKLLNEQVNKEMQSSNLYMSMSSWCYTHSLDGAGLFLFDHAAEEYEHAKKLIIFLNENNVPVQLTSISAPEHKFEGLTQIFQKAYEHEQHISESINNIVDHAIKSKDHATFNFLQWYVAEQHEEEVLFKDILDKIELIGNENHGLYLADQYVKGIAKSRKS
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 (00:13:33)
[INFO] Main: Simulation completed successfully. (00:13:37)
|
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 | C | A | 0.5564 | |
| 2 | D | A | -0.8662 | |
| 3 | L | A | 0.3265 | |
| 4 | S | A | -0.0114 | |
| 5 | C | A | 0.1543 | |
| 6 | P | A | -0.0143 | |
| 7 | S | A | -0.0967 | |
| 8 | N | A | -0.2024 | |
| 9 | K | A | 0.1874 | |
| 10 | V | A | 1.0137 | |
| 11 | C | A | 0.8888 | |
| 12 | V | A | 0.6017 | |
| 13 | I | A | 0.3918 | |
| 14 | E | A | -1.9092 | |
| 15 | N | A | -2.2968 | |
| 16 | G | A | -1.8975 | |
| 17 | K | A | -2.1564 | |
| 18 | Q | A | -1.1126 | |
| 19 | T | A | -0.5292 | |
| 20 | C | A | 0.1701 | |
| 21 | K | A | -0.1527 | |
| 22 | C | A | -0.0668 | |
| 23 | S | A | -0.8852 | |
| 24 | E | A | -2.4146 | |
| 25 | R | A | -2.5881 | |
| 26 | F | A | -0.6664 | |
| 27 | V | A | 0.4231 | |
| 28 | L | A | 1.2605 | |
| 29 | E | A | -0.6946 | |
| 30 | N | A | -1.2454 | |
| 31 | G | A | -0.1613 | |
| 32 | V | A | 1.2842 | |
| 33 | C | A | 0.0000 | |
| 34 | I | A | 0.8772 | |
| 35 | C | A | 0.0000 | |
| 36 | A | A | -1.2747 | |
| 37 | N | A | -2.1124 | |
| 38 | D | A | -2.7243 | |
| 39 | Y | A | -1.8402 | |
| 40 | K | A | -2.0521 | |
| 41 | M | A | -1.1339 | |
| 42 | E | A | -2.6962 | |
| 43 | D | A | -2.6042 | |
| 44 | G | A | -1.3420 | |
| 45 | I | A | -0.0892 | |
| 46 | N | A | -1.6270 | |
| 47 | C | A | -1.5042 | |
| 48 | I | A | -1.3676 | |
| 49 | A | A | -2.0322 | |
| 50 | K | A | -2.2193 | |
| 51 | N | A | -1.9069 | |
| 52 | K | A | -1.8626 | |
| 53 | C | A | -1.7671 | |
| 54 | K | A | -3.0939 | |
| 55 | R | A | -2.8867 | |
| 56 | K | A | -3.8148 | |
| 57 | E | A | -3.4489 | |
| 58 | Y | A | -2.4474 | |
| 59 | E | A | -3.4433 | |
| 60 | N | A | -2.1035 | |
| 61 | I | A | -0.2696 | |
| 62 | C | A | -0.3400 | |
| 63 | T | A | -0.2232 | |
| 64 | N | A | -0.6501 | |
| 65 | P | A | -0.7588 | |
| 66 | N | A | -0.9795 | |
| 67 | E | A | -1.0773 | |
| 68 | M | A | -0.8464 | |
| 69 | C | A | -0.6867 | |
| 70 | A | A | -0.5777 | |
| 71 | Y | A | -1.0878 | |
| 72 | N | A | -1.8956 | |
| 73 | E | A | -3.1779 | |
| 74 | E | A | -2.9488 | |
| 75 | T | A | -1.5829 | |
| 76 | D | A | -1.9370 | |
| 77 | I | A | 0.3920 | |
| 78 | V | A | 0.2604 | |
| 79 | K | A | -0.3184 | |
| 80 | C | A | -0.4921 | |
| 81 | E | A | -1.5119 | |
| 82 | C | A | -1.4025 | |
| 83 | K | A | -1.8786 | |
| 84 | E | A | -2.3449 | |
| 85 | H | A | -1.2098 | |
| 86 | Y | A | -0.4087 | |
| 87 | Y | A | -0.2491 | |
| 88 | R | A | -1.5466 | |
| 89 | S | A | -1.1662 | |
| 90 | S | A | -1.5674 | |
| 91 | R | A | -2.5574 | |
| 92 | G | A | -1.8075 | |
| 93 | E | A | -1.4739 | |
| 94 | C | A | 0.0000 | |
| 95 | I | A | 0.7416 | |
| 96 | L | A | 0.7342 | |
| 97 | N | A | -0.5131 | |
| 98 | D | A | -1.6696 | |
| 99 | Y | A | -0.9253 | |
| 100 | C | A | -1.8183 | |
| 101 | K | A | -2.8412 | |
| 102 | D | A | -2.6280 | |
| 103 | I | A | -1.5957 | |
| 104 | N | A | -2.4395 | |
| 105 | C | A | -2.1855 | |
| 106 | K | A | -3.0580 | |
| 107 | E | A | -3.2834 | |
| 108 | N | A | -2.4476 | |
| 109 | E | A | 0.0000 | |
| 110 | E | A | -2.4575 | |
| 111 | C | A | -1.2832 | |
| 112 | S | A | 0.0397 | |
| 113 | I | A | 0.7165 | |
| 114 | V | A | 0.5220 | |
| 115 | N | A | -0.4045 | |
| 116 | F | A | 0.9461 | |
| 117 | K | A | -0.7737 | |
| 118 | P | A | -0.8365 | |
| 119 | E | A | -0.8660 | |
| 120 | C | A | -0.8581 | |
| 121 | V | A | -0.7700 | |
| 122 | C | A | -2.1042 | |
| 123 | K | A | -2.7668 | |
| 124 | E | A | -2.9340 | |
| 125 | N | A | -2.6697 | |
| 126 | L | A | -2.3757 | |
| 127 | K | A | -3.0652 | |
| 128 | K | A | -3.1627 | |
| 129 | N | A | -2.8956 | |
| 130 | N | A | -2.8617 | |
| 131 | K | A | -2.9450 | |
| 132 | G | A | -2.3362 | |
| 133 | E | A | -2.1912 | |
| 134 | C | A | 0.0000 | |
| 135 | I | A | -1.9474 | |
| 136 | Y | A | -2.3231 | |
| 137 | E | A | -2.3988 | |
| 138 | N | A | -0.7109 | |
| 139 | S | A | -0.5899 | |
| 140 | C | A | -0.5865 | |
| 141 | L | A | 1.3507 | |
| 142 | I | A | 1.2682 | |
| 143 | N | A | -1.1984 | |
| 144 | E | A | -2.0925 | |
| 145 | G | A | 0.0000 | |
| 146 | N | A | -2.8115 | |
| 147 | C | A | -2.8131 | |
| 148 | P | A | 0.0000 | |
| 149 | K | A | -3.0029 | |
| 150 | D | A | -2.2145 | |
| 151 | S | A | -2.5331 | |
| 152 | K | A | -2.5828 | |
| 153 | C | A | -1.8162 | |
| 154 | I | A | -0.9510 | |
| 155 | Y | A | -1.5928 | |
| 156 | R | A | -2.6931 | |
| 157 | E | A | -2.2679 | |
| 158 | Y | A | -1.3707 | |
| 159 | K | A | -2.7815 | |
| 160 | P | A | -2.1081 | |
| 161 | H | A | -2.4076 | |
| 162 | E | A | -2.3926 | |
| 163 | C | A | -1.7157 | |
| 164 | V | A | -0.7920 | |
| 165 | C | A | -1.7749 | |
| 166 | N | A | -2.4966 | |
| 167 | K | A | -2.1452 | |
| 168 | Q | A | -2.2144 | |
| 169 | G | A | -1.7953 | |
| 170 | H | A | -1.3683 | |
| 171 | V | A | -0.7022 | |
| 172 | A | A | -1.0978 | |
| 173 | V | A | -0.7071 | |
| 174 | N | A | -1.7699 | |
| 175 | G | A | -2.1334 | |
| 176 | K | A | -2.3408 | |
| 177 | C | A | -1.4170 | |
| 178 | V | A | -0.4337 | |
| 179 | L | A | -0.6776 | |
| 180 | E | A | -0.9684 | |
| 181 | D | A | -0.7150 | |
| 182 | K | A | -1.3349 | |
| 183 | C | A | -0.2607 | |
| 184 | V | A | 0.3838 | |
| 185 | H | A | -1.1905 | |
| 186 | N | A | -1.8784 | |
| 187 | K | A | -2.4699 | |
| 188 | K | A | -2.4489 | |
| 189 | C | A | -0.8525 | |
| 190 | S | A | -1.5229 | |
| 191 | E | A | -2.4766 | |
| 192 | N | A | -1.3671 | |
| 193 | S | A | 0.3201 | |
| 194 | I | A | 1.8781 | |
| 195 | C | A | 1.4571 | |
| 196 | V | A | 1.6489 | |
| 197 | N | A | 0.1481 | |
| 198 | V | A | -0.0364 | |
| 199 | M | A | -0.1621 | |
| 200 | N | A | -1.8192 | |
| 201 | K | A | -2.4927 | |
| 202 | E | A | -2.2968 | |
| 203 | P | A | -0.4922 | |
| 204 | I | A | 1.2041 | |
| 205 | C | A | 1.4304 | |
| 206 | V | A | 1.8718 | |
| 207 | C | A | 1.0472 | |
| 208 | T | A | 0.7562 | |
| 209 | Y | A | 1.4125 | |
| 210 | N | A | 0.3418 | |
| 211 | Y | A | 1.0509 | |
| 212 | Y | A | 0.2293 | |
| 213 | K | A | -2.3629 | |
| 214 | K | A | -3.2536 | |
| 215 | D | A | -3.5998 | |
| 216 | A | A | -3.0760 | |
| 217 | E | A | -2.7487 | |
| 218 | A | A | -1.7177 | |
| 219 | A | A | -1.2968 | |
| 220 | A | A | -2.1109 | |
| 221 | K | A | -3.2160 | |
| 222 | A | A | -1.8182 | |
| 223 | E | A | -2.7340 | |
| 224 | A | A | -2.2303 | |
| 225 | A | A | -2.0411 | |
| 226 | A | A | -2.1506 | |
| 227 | K | A | -2.9517 | |
| 228 | A | A | -2.0633 | |
| 229 | E | A | -3.0942 | |
| 230 | A | A | -2.2183 | |
| 231 | A | A | -2.0932 | |
| 232 | A | A | -2.2648 | |
| 233 | K | A | -3.1535 | |
| 234 | A | A | -2.1901 | |
| 235 | E | A | -3.1632 | |
| 236 | S | A | -2.6393 | |
| 237 | Q | A | -2.5306 | |
| 238 | V | A | -1.3694 | |
| 239 | R | A | -3.1413 | |
| 240 | Q | A | -2.8846 | |
| 241 | Q | A | -2.4871 | |
| 242 | F | A | -1.9313 | |
| 243 | S | A | -2.5877 | |
| 244 | K | A | -3.5550 | |
| 245 | D | A | -3.1619 | |
| 246 | I | A | 0.0000 | |
| 247 | E | A | 0.0000 | |
| 248 | K | A | -3.0206 | |
| 249 | L | A | -1.7947 | |
| 250 | L | A | 0.0000 | |
| 251 | N | A | 0.0000 | |
| 252 | E | A | -1.6601 | |
| 253 | Q | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | N | A | -0.5767 | |
| 256 | K | A | -1.3619 | |
| 257 | E | A | 0.0000 | |
| 258 | M | A | -0.1552 | |
| 259 | Q | A | -0.4366 | |
| 260 | S | A | 0.0000 | |
| 261 | S | A | -0.1700 | |
| 262 | N | A | -0.4924 | |
| 263 | L | A | 0.0000 | |
| 264 | Y | A | 0.0000 | |
| 265 | M | A | 0.4238 | |
| 266 | S | A | -0.6489 | |
| 267 | M | A | 0.0000 | |
| 268 | S | A | 0.0000 | |
| 269 | S | A | 0.0441 | |
| 270 | W | A | -0.8529 | |
| 271 | C | A | 0.0000 | |
| 272 | Y | A | -0.2380 | |
| 273 | T | A | -0.4284 | |
| 274 | H | A | -0.9336 | |
| 275 | S | A | -0.5868 | |
| 276 | L | A | 0.0000 | |
| 277 | D | A | -1.4257 | |
| 278 | G | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | L | A | 0.0885 | |
| 282 | F | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | F | A | 1.5196 | |
| 285 | D | A | -0.0235 | |
| 286 | H | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | A | A | 0.0851 | |
| 289 | E | A | -0.6282 | |
| 290 | E | A | 0.0000 | |
| 291 | Y | A | -0.1216 | |
| 292 | E | A | -1.7875 | |
| 293 | H | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | K | A | -0.8322 | |
| 296 | K | A | -0.6159 | |
| 297 | L | A | 0.0000 | |
| 298 | I | A | 0.0310 | |
| 299 | I | A | 0.7494 | |
| 300 | F | A | -0.1949 | |
| 301 | L | A | 0.0000 | |
| 302 | N | A | -1.9063 | |
| 303 | E | A | -2.4417 | |
| 304 | N | A | -2.1028 | |
| 305 | N | A | -2.5309 | |
| 306 | V | A | 0.0000 | |
| 307 | P | A | -0.8541 | |
| 308 | V | A | -0.1292 | |
| 309 | Q | A | -0.6374 | |
| 310 | L | A | 0.9247 | |
| 311 | T | A | 0.2094 | |
| 312 | S | A | 0.2719 | |
| 313 | I | A | 0.5167 | |
| 314 | S | A | -0.1445 | |
| 315 | A | A | -0.4776 | |
| 316 | P | A | -1.1807 | |
| 317 | E | A | -2.2901 | |
| 318 | H | A | -2.3593 | |
| 319 | K | A | -2.8967 | |
| 320 | F | A | 0.0000 | |
| 321 | E | A | -2.3627 | |
| 322 | G | A | -1.5137 | |
| 323 | L | A | 0.0000 | |
| 324 | T | A | -1.5672 | |
| 325 | Q | A | -1.4731 | |
| 326 | I | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | Q | A | -2.0430 | |
| 329 | K | A | -1.8328 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -2.9292 | |
| 333 | H | A | -2.0882 | |
| 334 | E | A | 0.0000 | |
| 335 | Q | A | -2.5175 | |
| 336 | H | A | -2.6107 | |
| 337 | I | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | E | A | -2.8227 | |
| 340 | S | A | -2.1619 | |
| 341 | I | A | 0.0000 | |
| 342 | N | A | -2.4095 | |
| 343 | N | A | -2.2571 | |
| 344 | I | A | 0.0000 | |
| 345 | V | A | -1.5941 | |
| 346 | D | A | -2.4454 | |
| 347 | H | A | -2.2417 | |
| 348 | A | A | 0.0000 | |
| 349 | I | A | -0.9172 | |
| 350 | K | A | -2.3177 | |
| 351 | S | A | -2.1670 | |
| 352 | K | A | -2.4792 | |
| 353 | D | A | -1.7172 | |
| 354 | H | A | -1.5657 | |
| 355 | A | A | -0.8865 | |
| 356 | T | A | 0.0000 | |
| 357 | F | A | -0.7013 | |
| 358 | N | A | -1.2210 | |
| 359 | F | A | -0.2508 | |
| 360 | L | A | 0.0000 | |
| 361 | Q | A | -0.4584 | |
| 362 | W | A | 0.2140 | |
| 363 | Y | A | 0.0000 | |
| 364 | V | A | -0.5784 | |
| 365 | A | A | -0.7043 | |
| 366 | E | A | -0.9951 | |
| 367 | Q | A | 0.0000 | |
| 368 | H | A | -1.6087 | |
| 369 | E | A | -1.9708 | |
| 370 | E | A | 0.0000 | |
| 371 | E | A | -1.3117 | |
| 372 | V | A | 0.1074 | |
| 373 | L | A | -0.3162 | |
| 374 | F | A | 0.0000 | |
| 375 | K | A | -2.0788 | |
| 376 | D | A | -1.6813 | |
| 377 | I | A | 0.0000 | |
| 378 | L | A | -1.8493 | |
| 379 | D | A | -2.6488 | |
| 380 | K | A | -1.3314 | |
| 381 | I | A | 0.0000 | |
| 382 | E | A | -1.9068 | |
| 383 | L | A | 0.1973 | |
| 384 | I | A | 0.0408 | |
| 385 | G | A | -1.4636 | |
| 386 | N | A | -2.2309 | |
| 387 | E | A | -3.1412 | |
| 388 | N | A | -2.4821 | |
| 389 | H | A | -1.3583 | |
| 390 | G | A | 0.0000 | |
| 391 | L | A | 0.1990 | |
| 392 | Y | A | 1.0589 | |
| 393 | L | A | 0.9980 | |
| 394 | A | A | 0.0000 | |
| 395 | D | A | -0.1148 | |
| 396 | Q | A | -0.7061 | |
| 397 | Y | A | 0.0127 | |
| 398 | V | A | 0.0000 | |
| 399 | K | A | -1.5676 | |
| 400 | G | A | -1.3873 | |
| 401 | I | A | -1.1757 | |
| 402 | A | A | 0.0000 | |
| 403 | K | A | -2.8743 | |
| 404 | S | A | -2.1379 | |
| 405 | R | A | -2.4158 | |
| 406 | K | A | -2.8662 | |
| 407 | S | A | -1.7775 |
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