| Chain sequence(s) |
A: MNNNDIEYNAPSEIKYIDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDRAWKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHTTKEAGTARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDILDEAKSDGATAIILTADSTVSGNRDRDVKNKFVYPFGMPIVQRYLRGTAEGMSLNNIYGASKQKISPRDIEEIAAHSGLPVFVKGIQHPEDADMAIKAGASGIWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKALASGADVVALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQNVEDLKGLDLFDNPYGYEY
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 (00:04:40)
[INFO] Main: Simulation completed successfully. (00:04:42)
|
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 | -0.3088 | |
| 2 | N | A | -1.9299 | |
| 3 | N | A | -2.2643 | |
| 4 | N | A | -2.7997 | |
| 5 | D | A | -2.4208 | |
| 6 | I | A | -0.6686 | |
| 7 | E | A | -1.7855 | |
| 8 | Y | A | -0.9684 | |
| 9 | N | A | -1.3273 | |
| 10 | A | A | -0.9330 | |
| 11 | P | A | 0.0000 | |
| 12 | S | A | -0.9865 | |
| 13 | E | A | -1.3911 | |
| 14 | I | A | 0.1902 | |
| 15 | K | A | -0.6632 | |
| 16 | Y | A | 0.5066 | |
| 17 | I | A | 0.1240 | |
| 18 | D | A | -1.0014 | |
| 19 | V | A | 0.3194 | |
| 20 | V | A | 1.3283 | |
| 21 | N | A | 0.4182 | |
| 22 | T | A | 0.0000 | |
| 23 | Y | A | 0.3923 | |
| 24 | D | A | -0.9583 | |
| 25 | L | A | 0.0000 | |
| 26 | E | A | 0.0000 | |
| 27 | E | A | -2.7205 | |
| 28 | E | A | -2.4861 | |
| 29 | A | A | 0.0000 | |
| 30 | S | A | -1.8893 | |
| 31 | K | A | -2.1366 | |
| 32 | V | A | -0.5248 | |
| 33 | V | A | 0.0000 | |
| 34 | P | A | -0.7945 | |
| 35 | H | A | -1.2475 | |
| 36 | G | A | -1.1021 | |
| 37 | G | A | 0.0000 | |
| 38 | F | A | -0.4310 | |
| 39 | N | A | -0.9120 | |
| 40 | Y | A | 0.0000 | |
| 41 | I | A | 0.0000 | |
| 42 | A | A | 0.0000 | |
| 43 | G | A | 0.0000 | |
| 44 | A | A | 0.0000 | |
| 45 | S | A | 0.0000 | |
| 46 | G | A | -1.4136 | |
| 47 | D | A | -2.3753 | |
| 48 | E | A | -1.6612 | |
| 49 | W | A | -0.9305 | |
| 50 | T | A | 0.0000 | |
| 51 | K | A | -1.9229 | |
| 52 | R | A | -2.6635 | |
| 53 | A | A | -2.0964 | |
| 54 | N | A | 0.0000 | |
| 55 | D | A | -3.0413 | |
| 56 | R | A | -2.5625 | |
| 57 | A | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | K | A | -1.3662 | |
| 60 | H | A | -1.1447 | |
| 61 | K | A | -1.2452 | |
| 62 | L | A | -0.3222 | |
| 63 | L | A | 0.1970 | |
| 64 | Y | A | 0.6059 | |
| 65 | P | A | 0.1518 | |
| 66 | R | A | -0.6660 | |
| 67 | L | A | 0.4639 | |
| 68 | A | A | -0.3772 | |
| 69 | Q | A | -1.8750 | |
| 70 | D | A | -2.5225 | |
| 71 | V | A | -1.8908 | |
| 72 | E | A | -2.6948 | |
| 73 | A | A | -1.6741 | |
| 74 | P | A | -2.0837 | |
| 75 | D | A | -2.3275 | |
| 76 | T | A | 0.0000 | |
| 77 | S | A | -1.7714 | |
| 78 | T | A | -2.3188 | |
| 79 | E | A | -2.7635 | |
| 80 | I | A | 0.0000 | |
| 81 | L | A | -0.2751 | |
| 82 | G | A | -1.1458 | |
| 83 | H | A | -1.7212 | |
| 84 | K | A | -2.7887 | |
| 85 | I | A | 0.0000 | |
| 86 | K | A | -1.7901 | |
| 87 | A | A | 0.0000 | |
| 88 | P | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | M | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | P | A | 0.0986 | |
| 94 | I | A | 0.2392 | |
| 95 | A | A | 0.0957 | |
| 96 | A | A | 0.0000 | |
| 97 | H | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | H | A | 0.0000 | |
| 102 | T | A | -0.6955 | |
| 103 | T | A | -0.5368 | |
| 104 | K | A | -0.6467 | |
| 105 | E | A | 0.0000 | |
| 106 | A | A | -1.3318 | |
| 107 | G | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | R | A | -2.0217 | |
| 111 | A | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | S | A | -1.6805 | |
| 114 | E | A | -2.2991 | |
| 115 | F | A | 0.0000 | |
| 116 | G | A | -1.4414 | |
| 117 | T | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | M | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | Y | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | G | A | -0.2595 | |
| 127 | A | A | 0.0000 | |
| 128 | T | A | -1.0330 | |
| 129 | F | A | 0.0000 | |
| 130 | E | A | -2.8141 | |
| 131 | E | A | -2.4887 | |
| 132 | I | A | 0.0000 | |
| 133 | S | A | -2.5566 | |
| 134 | E | A | -3.2750 | |
| 135 | G | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | -2.5655 | |
| 138 | G | A | -1.4634 | |
| 139 | G | A | -1.4057 | |
| 140 | P | A | -0.6727 | |
| 141 | R | A | 0.0000 | |
| 142 | W | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | Q | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | Y | A | -0.2447 | |
| 147 | M | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | K | A | -3.3618 | |
| 150 | D | A | -3.2660 | |
| 151 | D | A | -3.6604 | |
| 152 | Q | A | -2.9084 | |
| 153 | Q | A | -2.7695 | |
| 154 | N | A | 0.0000 | |
| 155 | R | A | -2.4961 | |
| 156 | D | A | -2.4999 | |
| 157 | I | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | D | A | -2.5840 | |
| 160 | E | A | -1.9408 | |
| 161 | A | A | 0.0000 | |
| 162 | K | A | -2.2897 | |
| 163 | S | A | -1.6006 | |
| 164 | D | A | -1.5971 | |
| 165 | G | A | -1.2421 | |
| 166 | A | A | 0.0000 | |
| 167 | T | A | -0.4106 | |
| 168 | A | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | A | A | -0.4007 | |
| 174 | D | A | 0.0884 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | -0.1530 | |
| 177 | V | A | 0.9139 | |
| 178 | S | A | 0.0088 | |
| 179 | G | A | -0.0308 | |
| 180 | N | A | -1.0745 | |
| 181 | R | A | 0.0000 | |
| 182 | D | A | -1.8342 | |
| 183 | R | A | -1.7994 | |
| 184 | D | A | 0.0000 | |
| 185 | V | A | -0.3469 | |
| 186 | K | A | -2.0843 | |
| 187 | N | A | -2.0336 | |
| 188 | K | A | -1.8179 | |
| 189 | F | A | 0.0000 | |
| 190 | V | A | 0.0437 | |
| 191 | Y | A | 0.0000 | |
| 192 | P | A | -0.5985 | |
| 193 | F | A | -0.5668 | |
| 194 | G | A | -0.9451 | |
| 195 | M | A | 0.0000 | |
| 196 | P | A | -0.6622 | |
| 197 | I | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | Q | A | -2.0243 | |
| 200 | R | A | -2.5093 | |
| 201 | Y | A | 0.0000 | |
| 202 | L | A | -1.6851 | |
| 203 | R | A | -2.3526 | |
| 204 | G | A | -2.0398 | |
| 205 | T | A | -1.6746 | |
| 206 | A | A | 0.0000 | |
| 207 | E | A | -1.8498 | |
| 208 | G | A | -1.0780 | |
| 209 | M | A | -0.8520 | |
| 210 | S | A | -0.8268 | |
| 211 | L | A | 0.0000 | |
| 212 | N | A | -1.7279 | |
| 213 | N | A | -1.7190 | |
| 214 | I | A | 0.0000 | |
| 215 | Y | A | 0.0000 | |
| 216 | G | A | -1.3242 | |
| 217 | A | A | -1.3020 | |
| 218 | S | A | 0.0000 | |
| 219 | K | A | -2.2077 | |
| 220 | Q | A | -2.0531 | |
| 221 | K | A | -2.4353 | |
| 222 | I | A | -1.3978 | |
| 223 | S | A | -1.3176 | |
| 224 | P | A | -1.9081 | |
| 225 | R | A | -2.8284 | |
| 226 | D | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | E | A | -3.3126 | |
| 229 | E | A | -2.7722 | |
| 230 | I | A | 0.0000 | |
| 231 | A | A | -1.3816 | |
| 232 | A | A | -1.1303 | |
| 233 | H | A | -1.3126 | |
| 234 | S | A | 0.0000 | |
| 235 | G | A | -0.7260 | |
| 236 | L | A | -0.2927 | |
| 237 | P | A | -0.0198 | |
| 238 | V | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | K | A | 0.0000 | |
| 242 | G | A | -0.4863 | |
| 243 | I | A | 0.0000 | |
| 244 | Q | A | -1.3066 | |
| 245 | H | A | -2.1275 | |
| 246 | P | A | -2.5917 | |
| 247 | E | A | -3.0338 | |
| 248 | D | A | -2.7631 | |
| 249 | A | A | 0.0000 | |
| 250 | D | A | -2.3683 | |
| 251 | M | A | -1.3960 | |
| 252 | A | A | 0.0000 | |
| 253 | I | A | -1.4436 | |
| 254 | K | A | -2.0653 | |
| 255 | A | A | 0.0000 | |
| 256 | G | A | -1.7248 | |
| 257 | A | A | 0.0000 | |
| 258 | S | A | -0.3141 | |
| 259 | G | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | W | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | N | A | 0.0000 | |
| 265 | H | A | -0.0957 | |
| 266 | G | A | -0.2994 | |
| 267 | A | A | 0.0000 | |
| 268 | R | A | -0.1305 | |
| 269 | Q | A | 0.0000 | |
| 270 | L | A | 1.2853 | |
| 271 | Y | A | 0.0915 | |
| 272 | E | A | -1.2081 | |
| 273 | A | A | -0.2425 | |
| 274 | P | A | -0.6257 | |
| 275 | G | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | F | A | 0.0000 | |
| 278 | D | A | -1.6275 | |
| 279 | T | A | -0.9636 | |
| 280 | L | A | 0.0000 | |
| 281 | P | A | -1.1395 | |
| 282 | A | A | -1.8301 | |
| 283 | I | A | 0.0000 | |
| 284 | A | A | -2.4068 | |
| 285 | E | A | -3.4672 | |
| 286 | R | A | -4.1499 | |
| 287 | V | A | 0.0000 | |
| 288 | N | A | -3.7342 | |
| 289 | K | A | -3.4912 | |
| 290 | R | A | -2.5662 | |
| 291 | V | A | -1.1855 | |
| 292 | P | A | -0.8419 | |
| 293 | I | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | F | A | 0.0000 | |
| 296 | D | A | 0.0000 | |
| 297 | S | A | 0.0000 | |
| 298 | G | A | -1.2859 | |
| 299 | V | A | 0.0000 | |
| 300 | R | A | -0.7160 | |
| 301 | R | A | -0.8625 | |
| 302 | G | A | 0.0000 | |
| 303 | E | A | -0.8196 | |
| 304 | H | A | -0.7864 | |
| 305 | V | A | 0.0000 | |
| 306 | A | A | 0.0000 | |
| 307 | K | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | A | A | -1.1278 | |
| 311 | S | A | -0.9756 | |
| 312 | G | A | -1.2971 | |
| 313 | A | A | 0.0000 | |
| 314 | D | A | -1.3734 | |
| 315 | V | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | G | A | -0.2055 | |
| 320 | R | A | -0.2930 | |
| 321 | P | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | F | A | 0.0000 | |
| 325 | G | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | L | A | -0.2262 | |
| 329 | G | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | W | A | -0.3113 | |
| 332 | Q | A | -0.0722 | |
| 333 | G | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | Y | A | -0.2199 | |
| 336 | S | A | -0.1106 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | D | A | -0.8430 | |
| 340 | Y | A | 0.0000 | |
| 341 | F | A | 0.0000 | |
| 342 | Q | A | -1.6988 | |
| 343 | K | A | -2.3892 | |
| 344 | D | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | T | A | -1.9823 | |
| 347 | R | A | -2.2153 | |
| 348 | V | A | 0.0000 | |
| 349 | M | A | 0.0000 | |
| 350 | Q | A | -1.5413 | |
| 351 | L | A | 0.5060 | |
| 352 | T | A | 0.0000 | |
| 353 | G | A | -1.3068 | |
| 354 | S | A | 0.0000 | |
| 355 | Q | A | -2.4992 | |
| 356 | N | A | -2.3635 | |
| 357 | V | A | 0.0000 | |
| 358 | E | A | -2.8117 | |
| 359 | D | A | -2.2737 | |
| 360 | L | A | 0.0000 | |
| 361 | K | A | -2.0838 | |
| 362 | G | A | -1.7903 | |
| 363 | L | A | -1.1990 | |
| 364 | D | A | -1.6320 | |
| 365 | L | A | -0.6196 | |
| 366 | F | A | -0.4394 | |
| 367 | D | A | -1.8039 | |
| 368 | N | A | -0.7411 | |
| 369 | P | A | -0.1386 | |
| 370 | Y | A | 0.8042 | |
| 371 | G | A | 0.4023 | |
| 372 | Y | A | 0.3326 | |
| 373 | E | A | -0.6500 | |
| 374 | Y | A | 0.7583 |
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