| Chain sequence(s) |
A: SCSSLPSSITLTSNSKLVDLFTHFNGTKVTTKAAFACRQAELSELIQRYELGTLPGRPSTLTASFSGNTLTINCGEGGKSISFTVTITYPSSGTAPYPAIIGFGGGSIPTPDGVANINFNNDDIAKQNDISSRGQGKFYDLYGSSHSAGAMTAWAWGVSRVIDALELTPAAKIDTTKIGVTGCSRNGKGALVAGAFEKRIVLTLPQESGMGGSACWRISDYLKSQGKNIQTASEIVGEYPWFSTTFNSYVNNVSLLPFDHHSLAALIAPRGLYVIDNDIDWLGPQSCHGCMYAARRAWQALGVPDNMGYSQIGSHAHCAFPSSQQANLTAFVNKFLLGQSTNTAIFTSNFSPNESQWIDWTTPTLS
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 (00:02:33)
[INFO] Main: Simulation completed successfully. (00:02:34)
|
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 | S | A | -0.0522 | |
| 2 | C | A | 0.2336 | |
| 3 | S | A | -0.1473 | |
| 4 | S | A | -0.3342 | |
| 5 | L | A | -0.2949 | |
| 6 | P | A | -0.3122 | |
| 7 | S | A | -0.3130 | |
| 8 | S | A | -0.2031 | |
| 9 | I | A | 0.0815 | |
| 10 | T | A | 0.1306 | |
| 11 | L | A | 0.2912 | |
| 12 | T | A | -0.0994 | |
| 13 | S | A | -0.5952 | |
| 14 | N | A | -0.8504 | |
| 15 | S | A | -0.8633 | |
| 16 | K | A | -1.3600 | |
| 17 | L | A | 0.0000 | |
| 18 | V | A | -0.3935 | |
| 19 | D | A | -0.6623 | |
| 20 | L | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | T | A | -0.9861 | |
| 23 | H | A | -0.8601 | |
| 24 | F | A | -0.2086 | |
| 25 | N | A | -1.3563 | |
| 26 | G | A | -1.3206 | |
| 27 | T | A | -1.3869 | |
| 28 | K | A | -2.0109 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | -0.8660 | |
| 31 | T | A | -0.9370 | |
| 32 | K | A | -1.2996 | |
| 33 | A | A | -0.5356 | |
| 34 | A | A | -0.5915 | |
| 35 | F | A | 0.0000 | |
| 36 | A | A | -0.2086 | |
| 37 | C | A | -0.0739 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.2850 | |
| 40 | A | A | -0.2758 | |
| 41 | E | A | -0.3752 | |
| 42 | L | A | 0.0000 | |
| 43 | S | A | -0.6298 | |
| 44 | E | A | -1.1256 | |
| 45 | L | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | Q | A | -0.6751 | |
| 48 | R | A | -0.7351 | |
| 49 | Y | A | -0.4324 | |
| 50 | E | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | T | A | -0.3244 | |
| 54 | L | A | -0.2162 | |
| 55 | P | A | -0.5318 | |
| 56 | G | A | -1.3373 | |
| 57 | R | A | -2.1790 | |
| 58 | P | A | 0.0000 | |
| 59 | S | A | -1.0029 | |
| 60 | T | A | -0.9029 | |
| 61 | L | A | -0.3230 | |
| 62 | T | A | 0.0732 | |
| 63 | A | A | -0.0221 | |
| 64 | S | A | 0.0491 | |
| 65 | F | A | -0.2582 | |
| 66 | S | A | -0.5736 | |
| 67 | G | A | -0.9372 | |
| 68 | N | A | -1.1090 | |
| 69 | T | A | -0.7384 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.1932 | |
| 72 | I | A | 0.0000 | |
| 73 | N | A | -0.5418 | |
| 74 | C | A | 0.0000 | |
| 75 | G | A | -1.4647 | |
| 76 | E | A | -1.7795 | |
| 77 | G | A | -1.5262 | |
| 78 | G | A | -1.7602 | |
| 79 | K | A | -2.6716 | |
| 80 | S | A | -1.8049 | |
| 81 | I | A | 0.0000 | |
| 82 | S | A | -0.4304 | |
| 83 | F | A | 0.0000 | |
| 84 | T | A | -0.5505 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.8902 | |
| 87 | I | A | 0.0000 | |
| 88 | T | A | -0.3799 | |
| 89 | Y | A | -0.3128 | |
| 90 | P | A | -0.6415 | |
| 91 | S | A | -0.6800 | |
| 92 | S | A | -0.9011 | |
| 93 | G | A | -0.8593 | |
| 94 | T | A | -0.4945 | |
| 95 | A | A | -0.5137 | |
| 96 | P | A | -0.8168 | |
| 97 | Y | A | -0.4495 | |
| 98 | P | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | I | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | G | A | -1.4926 | |
| 105 | G | A | -1.0519 | |
| 106 | G | A | -0.5301 | |
| 107 | S | A | -0.1009 | |
| 108 | I | A | 0.1251 | |
| 109 | P | A | -0.3238 | |
| 110 | T | A | -0.5828 | |
| 111 | P | A | -1.0520 | |
| 112 | D | A | -1.9588 | |
| 113 | G | A | -1.1138 | |
| 114 | V | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | N | A | -0.4222 | |
| 117 | I | A | 0.0000 | |
| 118 | N | A | -1.5788 | |
| 119 | F | A | 0.0000 | |
| 120 | N | A | -2.3737 | |
| 121 | N | A | 0.0000 | |
| 122 | D | A | -2.7591 | |
| 123 | D | A | -2.1001 | |
| 124 | I | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | K | A | -2.4548 | |
| 127 | Q | A | -1.9979 | |
| 128 | N | A | -2.0209 | |
| 129 | D | A | -1.3243 | |
| 130 | I | A | -0.0427 | |
| 131 | S | A | -0.6249 | |
| 132 | S | A | 0.0000 | |
| 133 | R | A | -1.0283 | |
| 134 | G | A | 0.0000 | |
| 135 | Q | A | -1.9381 | |
| 136 | G | A | -1.9542 | |
| 137 | K | A | -1.7622 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | D | A | -2.4735 | |
| 141 | L | A | 0.0000 | |
| 142 | Y | A | -1.0357 | |
| 143 | G | A | -1.2103 | |
| 144 | S | A | -1.1585 | |
| 145 | S | A | -0.6329 | |
| 146 | H | A | -0.4940 | |
| 147 | S | A | -0.3758 | |
| 148 | A | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | M | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | W | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | W | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | S | A | -0.7499 | |
| 160 | R | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | D | A | -0.7616 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | E | A | -1.2422 | |
| 167 | L | A | 0.5483 | |
| 168 | T | A | 0.0000 | |
| 169 | P | A | -0.6072 | |
| 170 | A | A | -0.3615 | |
| 171 | A | A | 0.0000 | |
| 172 | K | A | -0.9969 | |
| 173 | I | A | 0.0000 | |
| 174 | D | A | -0.9991 | |
| 175 | T | A | -1.0757 | |
| 176 | T | A | -0.7085 | |
| 177 | K | A | -0.7214 | |
| 178 | I | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | C | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | R | A | -1.5635 | |
| 186 | N | A | -1.1630 | |
| 187 | G | A | 0.0000 | |
| 188 | K | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | F | A | 0.0000 | |
| 197 | E | A | 0.0000 | |
| 198 | K | A | -1.9521 | |
| 199 | R | A | -1.4810 | |
| 200 | I | A | 0.0000 | |
| 201 | V | A | -0.3990 | |
| 202 | L | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | P | A | 0.0000 | |
| 206 | Q | A | 0.0000 | |
| 207 | E | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | M | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | C | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | R | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | D | A | -2.3266 | |
| 221 | Y | A | -1.0548 | |
| 222 | L | A | -1.5632 | |
| 223 | K | A | -2.3351 | |
| 224 | S | A | -1.8001 | |
| 225 | Q | A | -2.2028 | |
| 226 | G | A | -1.9511 | |
| 227 | K | A | -2.5245 | |
| 228 | N | A | -2.1661 | |
| 229 | I | A | 0.0000 | |
| 230 | Q | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | S | A | -1.5868 | |
| 234 | E | A | -1.2751 | |
| 235 | I | A | 0.0000 | |
| 236 | V | A | -0.5743 | |
| 237 | G | A | -0.9335 | |
| 238 | E | A | -0.9876 | |
| 239 | Y | A | -0.7025 | |
| 240 | P | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | T | A | -0.5993 | |
| 245 | T | A | -0.5784 | |
| 246 | F | A | 0.0000 | |
| 247 | N | A | -1.6652 | |
| 248 | S | A | -1.1241 | |
| 249 | Y | A | -0.9377 | |
| 250 | V | A | 0.0000 | |
| 251 | N | A | -2.2119 | |
| 252 | N | A | -1.7950 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | -0.9102 | |
| 255 | L | A | -0.2276 | |
| 256 | L | A | 0.0000 | |
| 257 | P | A | 0.1551 | |
| 258 | F | A | 0.0000 | |
| 259 | D | A | 0.0000 | |
| 260 | H | A | 0.0000 | |
| 261 | H | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | P | A | -0.4665 | |
| 270 | R | A | -0.4952 | |
| 271 | G | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | Y | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | D | A | 0.0000 | |
| 277 | N | A | 0.0000 | |
| 278 | D | A | -0.7757 | |
| 279 | I | A | -0.3549 | |
| 280 | D | A | -1.1485 | |
| 281 | W | A | -0.4279 | |
| 282 | L | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | Q | A | -0.5921 | |
| 286 | S | A | 0.0000 | |
| 287 | C | A | 0.0000 | |
| 288 | H | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | C | A | 0.0000 | |
| 291 | M | A | 0.0000 | |
| 292 | Y | A | -0.0663 | |
| 293 | A | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | R | A | -0.7544 | |
| 296 | R | A | -0.8411 | |
| 297 | A | A | 0.0000 | |
| 298 | W | A | 0.0000 | |
| 299 | Q | A | -1.3656 | |
| 300 | A | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.7832 | |
| 303 | V | A | -0.4734 | |
| 304 | P | A | -0.9382 | |
| 305 | D | A | -1.2172 | |
| 306 | N | A | -0.8981 | |
| 307 | M | A | 0.0000 | |
| 308 | G | A | 0.0000 | |
| 309 | Y | A | 0.0000 | |
| 310 | S | A | 0.0000 | |
| 311 | Q | A | 0.0000 | |
| 312 | I | A | 0.0077 | |
| 313 | G | A | -0.3762 | |
| 314 | S | A | -0.3203 | |
| 315 | H | A | -0.2287 | |
| 316 | A | A | -0.1896 | |
| 317 | H | A | -0.3352 | |
| 318 | C | A | 0.0354 | |
| 319 | A | A | 0.0836 | |
| 320 | F | A | 0.1943 | |
| 321 | P | A | -0.0939 | |
| 322 | S | A | -0.4515 | |
| 323 | S | A | -0.3766 | |
| 324 | Q | A | 0.0000 | |
| 325 | Q | A | -0.6427 | |
| 326 | A | A | -0.3817 | |
| 327 | N | A | -0.5044 | |
| 328 | L | A | 0.0000 | |
| 329 | T | A | -0.5901 | |
| 330 | A | A | -0.6558 | |
| 331 | F | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | N | A | -0.9579 | |
| 334 | K | A | -0.9844 | |
| 335 | F | A | -0.3250 | |
| 336 | L | A | 0.0000 | |
| 337 | L | A | -0.4405 | |
| 338 | G | A | -0.8810 | |
| 339 | Q | A | -1.3254 | |
| 340 | S | A | -1.0690 | |
| 341 | T | A | -1.1968 | |
| 342 | N | A | -1.6479 | |
| 343 | T | A | 0.0000 | |
| 344 | A | A | -0.5107 | |
| 345 | I | A | -0.0021 | |
| 346 | F | A | 0.3340 | |
| 347 | T | A | 0.0552 | |
| 348 | S | A | -0.4881 | |
| 349 | N | A | -1.1469 | |
| 350 | F | A | -0.4301 | |
| 351 | S | A | -0.5140 | |
| 352 | P | A | -0.6766 | |
| 353 | N | A | -1.0550 | |
| 354 | E | A | -1.3694 | |
| 355 | S | A | -1.3064 | |
| 356 | Q | A | -1.2850 | |
| 357 | W | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | D | A | -2.0795 | |
| 360 | W | A | -0.9085 | |
| 361 | T | A | -0.5007 | |
| 362 | T | A | -0.4008 | |
| 363 | P | A | -0.5078 | |
| 364 | T | A | -0.5898 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6556 |
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