| Chain sequence(s) |
A: MKKKNGKAKKWQLYAAIGAASVVVLGAGGILLFRQPSQTALKDEPTHLVVAKEGSVASSVLLSGTVTAKNEQYVYFDASKGDLDEILVSVGDKVSEGQALVKYSSSEAQAAYDSASRAVARADRHINELNQARNEAASAPAPQLPAPVGGEDATVQSPTPVAGNSVASIDAQLGDARDARADAAAQLSKAQSQLDATTVLSTLEGTVVEVNSNVSKSPTGASQVMVHIVSNENLQVKGELSEYNLANLSVGQEVSFTSKVYPDKKWTGKLSYISDYPKNNGEAASPAAGNNTGSKYPYTIDVTGEVGDLKQGFSVNIEVKSKTKAILVPVSSLVMDDSKNYVWIVDEQQKAKKVEVSLGNADAENQEITSGLTNGAKVISNPTSSLEEGKEVKADEATN
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] (00:00:00)
[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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | -0.1204 | |
| 2 | K | A | -2.3882 | |
| 3 | K | A | -3.5847 | |
| 4 | K | A | -3.7696 | |
| 5 | N | A | -3.0828 | |
| 6 | G | A | -2.6537 | |
| 7 | K | A | -2.7678 | |
| 8 | A | A | -2.0860 | |
| 9 | K | A | -2.6239 | |
| 10 | K | A | -1.8803 | |
| 11 | W | A | 0.1350 | |
| 12 | Q | A | -0.0829 | |
| 13 | L | A | 1.7387 | |
| 14 | Y | A | 2.3295 | |
| 15 | A | A | 1.5307 | |
| 16 | A | A | 1.6529 | |
| 17 | I | A | 2.6166 | |
| 18 | G | A | 1.5550 | |
| 19 | A | A | 1.7168 | |
| 20 | A | A | 2.1493 | |
| 21 | S | A | 2.4094 | |
| 22 | V | A | 3.6367 | |
| 23 | V | A | 3.7269 | |
| 24 | V | A | 3.6387 | |
| 25 | L | A | 3.3818 | |
| 26 | G | A | 2.5056 | |
| 27 | A | A | 2.6404 | |
| 28 | G | A | 2.3874 | |
| 29 | G | A | 2.1169 | |
| 30 | I | A | 3.2847 | |
| 31 | L | A | 2.8666 | |
| 32 | L | A | 2.8270 | |
| 33 | F | A | 2.3790 | |
| 34 | R | A | -0.3168 | |
| 35 | Q | A | -1.3459 | |
| 36 | P | A | -1.5645 | |
| 37 | S | A | -1.3953 | |
| 38 | Q | A | -1.3238 | |
| 39 | T | A | -0.5657 | |
| 40 | A | A | -0.4155 | |
| 41 | L | A | -0.3470 | |
| 42 | K | A | -2.3710 | |
| 43 | D | A | -3.3408 | |
| 44 | E | A | -3.5610 | |
| 45 | P | A | -3.0777 | |
| 46 | T | A | -2.4635 | |
| 47 | H | A | -2.3042 | |
| 48 | L | A | -1.1547 | |
| 49 | V | A | -0.0239 | |
| 50 | V | A | -0.0486 | |
| 51 | A | A | 0.0000 | |
| 52 | K | A | -3.0164 | |
| 53 | E | A | -3.4433 | |
| 54 | G | A | -2.3761 | |
| 55 | S | A | -2.0358 | |
| 56 | V | A | 0.0000 | |
| 57 | A | A | -1.1029 | |
| 58 | S | A | -0.9228 | |
| 59 | S | A | -0.2099 | |
| 60 | V | A | 0.3706 | |
| 61 | L | A | 1.0773 | |
| 62 | L | A | 0.0000 | |
| 63 | S | A | -0.7506 | |
| 64 | G | A | -1.1161 | |
| 65 | T | A | -1.1436 | |
| 66 | V | A | 0.0000 | |
| 67 | T | A | -1.6627 | |
| 68 | A | A | 0.0000 | |
| 69 | K | A | -2.9821 | |
| 70 | N | A | -2.8594 | |
| 71 | E | A | -1.8363 | |
| 72 | Q | A | -0.4210 | |
| 73 | Y | A | 0.7696 | |
| 74 | V | A | 0.0000 | |
| 75 | Y | A | 1.1777 | |
| 76 | F | A | -0.1881 | |
| 77 | D | A | -1.0366 | |
| 78 | A | A | -1.3565 | |
| 79 | S | A | -1.1000 | |
| 80 | K | A | -1.6065 | |
| 81 | G | A | -2.1773 | |
| 82 | D | A | -2.9030 | |
| 83 | L | A | -2.4235 | |
| 84 | D | A | -2.7677 | |
| 85 | E | A | -1.9859 | |
| 86 | I | A | -0.2965 | |
| 87 | L | A | 0.4509 | |
| 88 | V | A | 0.0000 | |
| 89 | S | A | 0.3545 | |
| 90 | V | A | 1.0921 | |
| 91 | G | A | -0.2957 | |
| 92 | D | A | -1.2715 | |
| 93 | K | A | -2.3730 | |
| 94 | V | A | 0.0000 | |
| 95 | S | A | -2.1531 | |
| 96 | E | A | -2.5347 | |
| 97 | G | A | -1.3268 | |
| 98 | Q | A | -1.1530 | |
| 99 | A | A | 0.0878 | |
| 100 | L | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | K | A | -1.4924 | |
| 103 | Y | A | 0.0000 | |
| 104 | S | A | -2.0876 | |
| 105 | S | A | -1.8820 | |
| 106 | S | A | -1.2667 | |
| 107 | E | A | -2.2801 | |
| 108 | A | A | -1.8482 | |
| 109 | Q | A | -1.6089 | |
| 110 | A | A | -1.0412 | |
| 111 | A | A | -1.3952 | |
| 112 | Y | A | -1.3865 | |
| 113 | D | A | -1.3980 | |
| 114 | S | A | -1.1177 | |
| 115 | A | A | -1.6555 | |
| 116 | S | A | -1.4773 | |
| 117 | R | A | -2.4878 | |
| 118 | A | A | -2.2521 | |
| 119 | V | A | -2.0545 | |
| 120 | A | A | -2.3223 | |
| 121 | R | A | -3.4819 | |
| 122 | A | A | -3.4786 | |
| 123 | D | A | -3.3518 | |
| 124 | R | A | -3.9636 | |
| 125 | H | A | -3.7969 | |
| 126 | I | A | -3.4993 | |
| 127 | N | A | -3.8234 | |
| 128 | E | A | -3.8420 | |
| 129 | L | A | 0.0000 | |
| 130 | N | A | -3.3287 | |
| 131 | Q | A | -3.5669 | |
| 132 | A | A | -2.6941 | |
| 133 | R | A | -2.9441 | |
| 134 | N | A | -3.0200 | |
| 135 | E | A | -3.0845 | |
| 136 | A | A | -1.7251 | |
| 137 | A | A | -1.4249 | |
| 138 | S | A | -1.3059 | |
| 139 | A | A | -0.6623 | |
| 140 | P | A | -0.7031 | |
| 141 | A | A | -0.1233 | |
| 142 | P | A | -0.2773 | |
| 143 | Q | A | -0.6526 | |
| 144 | L | A | 0.7172 | |
| 145 | P | A | 0.3915 | |
| 146 | A | A | 0.4748 | |
| 147 | P | A | 0.4046 | |
| 148 | V | A | 1.2973 | |
| 149 | G | A | -0.4676 | |
| 150 | G | A | -1.6687 | |
| 151 | E | A | -3.0244 | |
| 152 | D | A | -2.5937 | |
| 153 | A | A | -1.0950 | |
| 154 | T | A | -0.2022 | |
| 155 | V | A | 0.8433 | |
| 156 | Q | A | -0.5234 | |
| 157 | S | A | -0.4417 | |
| 158 | P | A | -0.0533 | |
| 159 | T | A | -0.2699 | |
| 160 | P | A | 0.0970 | |
| 161 | V | A | 1.0974 | |
| 162 | A | A | 0.1983 | |
| 163 | G | A | -0.4609 | |
| 164 | N | A | -0.9957 | |
| 165 | S | A | -0.4886 | |
| 166 | V | A | -0.8777 | |
| 167 | A | A | -0.8390 | |
| 168 | S | A | -0.9214 | |
| 169 | I | A | -1.2478 | |
| 170 | D | A | -1.4693 | |
| 171 | A | A | -1.3968 | |
| 172 | Q | A | -2.3865 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | -2.6594 | |
| 175 | D | A | -3.5751 | |
| 176 | A | A | 0.0000 | |
| 177 | R | A | -4.1313 | |
| 178 | D | A | -4.1567 | |
| 179 | A | A | -3.0085 | |
| 180 | R | A | -3.4235 | |
| 181 | A | A | -2.6158 | |
| 182 | D | A | -2.9752 | |
| 183 | A | A | -2.5842 | |
| 184 | A | A | -1.4467 | |
| 185 | A | A | -1.6847 | |
| 186 | Q | A | -2.2645 | |
| 187 | L | A | -1.6410 | |
| 188 | S | A | -1.7053 | |
| 189 | K | A | -2.6867 | |
| 190 | A | A | 0.0000 | |
| 191 | Q | A | -2.0360 | |
| 192 | S | A | -2.1433 | |
| 193 | Q | A | -2.4601 | |
| 194 | L | A | -2.0660 | |
| 195 | D | A | -2.3371 | |
| 196 | A | A | -1.2403 | |
| 197 | T | A | 0.0000 | |
| 198 | T | A | -0.7243 | |
| 199 | V | A | 0.5055 | |
| 200 | L | A | 0.3198 | |
| 201 | S | A | 0.0000 | |
| 202 | T | A | -0.9823 | |
| 203 | L | A | -2.0309 | |
| 204 | E | A | -3.3365 | |
| 205 | G | A | 0.0000 | |
| 206 | T | A | -1.2221 | |
| 207 | V | A | 0.0000 | |
| 208 | V | A | 0.7833 | |
| 209 | E | A | 0.1621 | |
| 210 | V | A | 0.3721 | |
| 211 | N | A | -0.4852 | |
| 212 | S | A | -1.1404 | |
| 213 | N | A | -1.3685 | |
| 214 | V | A | -1.1671 | |
| 215 | S | A | -1.7049 | |
| 216 | K | A | -2.3728 | |
| 217 | S | A | -1.2800 | |
| 218 | P | A | -0.9044 | |
| 219 | T | A | -0.6809 | |
| 220 | G | A | -1.0344 | |
| 221 | A | A | -0.6535 | |
| 222 | S | A | -0.4470 | |
| 223 | Q | A | -0.4033 | |
| 224 | V | A | 0.4178 | |
| 225 | M | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | H | A | 0.4658 | |
| 228 | I | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | N | A | -3.0815 | |
| 232 | E | A | -3.3339 | |
| 233 | N | A | -3.0843 | |
| 234 | L | A | 0.0000 | |
| 235 | Q | A | -1.7554 | |
| 236 | V | A | 0.0000 | |
| 237 | K | A | -1.5701 | |
| 238 | G | A | -1.3323 | |
| 239 | E | A | -1.8704 | |
| 240 | L | A | 0.0000 | |
| 241 | S | A | -0.8942 | |
| 242 | E | A | -1.1647 | |
| 243 | Y | A | 0.3517 | |
| 244 | N | A | -0.1604 | |
| 245 | L | A | -0.4089 | |
| 246 | A | A | -0.3873 | |
| 247 | N | A | -1.3143 | |
| 248 | L | A | 0.0000 | |
| 249 | S | A | 0.3520 | |
| 250 | V | A | 1.6072 | |
| 251 | G | A | -0.1749 | |
| 252 | Q | A | 0.0000 | |
| 253 | E | A | -2.7993 | |
| 254 | V | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | T | A | -1.6571 | |
| 258 | S | A | 0.0000 | |
| 259 | K | A | -1.2640 | |
| 260 | V | A | 0.4992 | |
| 261 | Y | A | -0.5998 | |
| 262 | P | A | -1.5500 | |
| 263 | D | A | -2.5801 | |
| 264 | K | A | -2.6383 | |
| 265 | K | A | -2.7292 | |
| 266 | W | A | 0.0000 | |
| 267 | T | A | -1.4266 | |
| 268 | G | A | 0.0000 | |
| 269 | K | A | -1.8026 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.3765 | |
| 272 | Y | A | 1.2089 | |
| 273 | I | A | 0.7392 | |
| 274 | S | A | 0.0000 | |
| 275 | D | A | -1.0805 | |
| 276 | Y | A | -0.2337 | |
| 277 | P | A | -1.7754 | |
| 278 | K | A | -2.9435 | |
| 279 | N | A | -3.0987 | |
| 280 | N | A | -3.0910 | |
| 281 | G | A | -2.6484 | |
| 282 | E | A | -2.5688 | |
| 283 | A | A | -1.2469 | |
| 284 | A | A | -0.9035 | |
| 285 | S | A | -0.5314 | |
| 286 | P | A | -0.5667 | |
| 287 | A | A | -0.3541 | |
| 288 | A | A | -0.7857 | |
| 289 | G | A | -1.4578 | |
| 290 | N | A | -2.1778 | |
| 291 | N | A | -2.1929 | |
| 292 | T | A | -1.4928 | |
| 293 | G | A | -1.3815 | |
| 294 | S | A | -1.6869 | |
| 295 | K | A | -2.1113 | |
| 296 | Y | A | -1.5774 | |
| 297 | P | A | -1.0866 | |
| 298 | Y | A | 0.0000 | |
| 299 | T | A | -0.3882 | |
| 300 | I | A | 0.0000 | |
| 301 | D | A | -1.4785 | |
| 302 | V | A | -1.2810 | |
| 303 | T | A | -1.2208 | |
| 304 | G | A | -1.5168 | |
| 305 | E | A | -2.2560 | |
| 306 | V | A | -1.7895 | |
| 307 | G | A | -1.6339 | |
| 308 | D | A | -1.6435 | |
| 309 | L | A | 0.0000 | |
| 310 | K | A | -2.1569 | |
| 311 | Q | A | -1.6669 | |
| 312 | G | A | -1.0428 | |
| 313 | F | A | -0.7370 | |
| 314 | S | A | -0.9170 | |
| 315 | V | A | 0.0000 | |
| 316 | N | A | -1.0807 | |
| 317 | I | A | 0.0000 | |
| 318 | E | A | -0.8508 | |
| 319 | V | A | 0.0000 | |
| 320 | K | A | -2.1737 | |
| 321 | S | A | -2.2544 | |
| 322 | K | A | -2.8447 | |
| 323 | T | A | -2.1700 | |
| 324 | K | A | -2.8939 | |
| 325 | A | A | -2.1244 | |
| 326 | I | A | 0.0000 | |
| 327 | L | A | -1.3084 | |
| 328 | V | A | 0.0000 | |
| 329 | P | A | -0.2491 | |
| 330 | V | A | 0.1115 | |
| 331 | S | A | -0.3324 | |
| 332 | S | A | 0.0000 | |
| 333 | L | A | 0.6111 | |
| 334 | V | A | 0.0535 | |
| 335 | M | A | -0.2708 | |
| 336 | D | A | -1.9690 | |
| 337 | D | A | -2.5500 | |
| 338 | S | A | -1.8227 | |
| 339 | K | A | -2.2598 | |
| 340 | N | A | -1.2577 | |
| 341 | Y | A | -0.7131 | |
| 342 | V | A | 0.0000 | |
| 343 | W | A | 0.0000 | |
| 344 | I | A | -0.8828 | |
| 345 | V | A | 0.0000 | |
| 346 | D | A | -2.8127 | |
| 347 | E | A | -3.0545 | |
| 348 | Q | A | -3.1493 | |
| 349 | Q | A | -3.5476 | |
| 350 | K | A | -4.2506 | |
| 351 | A | A | 0.0000 | |
| 352 | K | A | -3.0100 | |
| 353 | K | A | -1.8853 | |
| 354 | V | A | -1.1334 | |
| 355 | E | A | -1.8199 | |
| 356 | V | A | 0.0000 | |
| 357 | S | A | -0.6020 | |
| 358 | L | A | -0.1382 | |
| 359 | G | A | -0.2373 | |
| 360 | N | A | -0.6839 | |
| 361 | A | A | -0.7833 | |
| 362 | D | A | -1.2943 | |
| 363 | A | A | -1.0453 | |
| 364 | E | A | -1.8885 | |
| 365 | N | A | -1.1087 | |
| 366 | Q | A | 0.0000 | |
| 367 | E | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | -0.4240 | |
| 370 | S | A | -0.5528 | |
| 371 | G | A | -0.7936 | |
| 372 | L | A | -0.8377 | |
| 373 | T | A | -1.4038 | |
| 374 | N | A | -2.4195 | |
| 375 | G | A | -1.5600 | |
| 376 | A | A | -0.7850 | |
| 377 | K | A | -0.9008 | |
| 378 | V | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -1.3344 | |
| 382 | P | A | -0.9227 | |
| 383 | T | A | -0.8986 | |
| 384 | S | A | -0.6789 | |
| 385 | S | A | -0.5682 | |
| 386 | L | A | -1.8707 | |
| 387 | E | A | -3.6256 | |
| 388 | E | A | -3.9000 | |
| 389 | G | A | -3.4596 | |
| 390 | K | A | -3.6761 | |
| 391 | E | A | -4.0595 | |
| 392 | V | A | 0.0000 | |
| 393 | K | A | -3.6717 | |
| 394 | A | A | -2.7840 | |
| 395 | D | A | -3.1220 | |
| 396 | E | A | -2.9029 | |
| 397 | A | A | -1.6454 | |
| 398 | T | A | -1.1869 | |
| 399 | N | A | -1.2664 |
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