| Chain sequence(s) |
A: SCSPLPSSYTLTSNSKLVDLFTHFNGTKVTTKAAFACRQAELSELIQRYELGTLPGRPSTLTASFSGNTLTINCGEGGKSISFTVTITYPSSGTAPYPAIIGFGGGSLPQPDGVANINFNNDDIAKQNDISSRGQGKFYDLYGSSHSAGAMTAWAWGVSRVIDALELTPAAKIDTTKIGVTGCSRNGKGALVAGAFEKRIVLTLPQESGMGGSACWRISDYLKSQGKNIQTASEIVGEYPWFSTTFNSYVNKVELLPFDHHSLAALIAPRGLYVIDNDIDWLGPESCTGCMYAARRAWQALGVPDNMGYSQIGSHAHCAFPSSQQSNLTAFVNKFLLGQSTNTAIFSSDFSPNESQWIDWTTPTLS
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:38)
[INFO] Main: Simulation completed successfully. (00:05:41)
|
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 | -0.0945 | |
| 2 | C | A | 0.1493 | |
| 3 | S | A | -0.3433 | |
| 4 | P | A | -0.4019 | |
| 5 | L | A | -0.3967 | |
| 6 | P | A | -0.4066 | |
| 7 | S | A | -0.3466 | |
| 8 | S | A | -0.2222 | |
| 9 | Y | A | 0.0141 | |
| 10 | T | A | 0.1065 | |
| 11 | L | A | 0.0786 | |
| 12 | T | A | -0.2373 | |
| 13 | S | A | -0.8808 | |
| 14 | N | A | -1.1174 | |
| 15 | S | A | -1.1324 | |
| 16 | K | A | -1.5637 | |
| 17 | L | A | 0.0000 | |
| 18 | V | A | -0.5067 | |
| 19 | D | A | -0.7356 | |
| 20 | L | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | T | A | -1.0449 | |
| 23 | H | A | -0.9808 | |
| 24 | F | A | -0.4982 | |
| 25 | N | A | -1.5094 | |
| 26 | G | A | -1.4283 | |
| 27 | T | A | -1.4403 | |
| 28 | K | A | -2.0398 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | -0.8502 | |
| 31 | T | A | -0.8879 | |
| 32 | K | A | -1.2416 | |
| 33 | A | A | -0.4969 | |
| 34 | A | A | -0.5973 | |
| 35 | F | A | 0.0000 | |
| 36 | A | A | -0.2151 | |
| 37 | C | A | -0.0983 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.2992 | |
| 40 | A | A | -0.3170 | |
| 41 | E | A | -0.4573 | |
| 42 | L | A | 0.0000 | |
| 43 | S | A | -0.6962 | |
| 44 | E | A | -1.2546 | |
| 45 | L | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | Q | A | -0.7566 | |
| 48 | R | A | -0.8512 | |
| 49 | Y | A | -0.4702 | |
| 50 | E | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | T | A | -0.3536 | |
| 54 | L | A | -0.2271 | |
| 55 | P | A | -0.5300 | |
| 56 | G | A | -1.3378 | |
| 57 | R | A | -2.1770 | |
| 58 | P | A | 0.0000 | |
| 59 | S | A | -0.9992 | |
| 60 | T | A | -0.8952 | |
| 61 | L | A | -0.3204 | |
| 62 | T | A | 0.0729 | |
| 63 | A | A | -0.0288 | |
| 64 | S | A | 0.0382 | |
| 65 | F | A | -0.1205 | |
| 66 | S | A | -0.5795 | |
| 67 | G | A | -0.9353 | |
| 68 | N | A | -1.0996 | |
| 69 | T | A | -0.7302 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.2880 | |
| 72 | I | A | 0.0000 | |
| 73 | N | A | -0.5509 | |
| 74 | C | A | 0.0000 | |
| 75 | G | A | -1.4517 | |
| 76 | E | A | -1.7599 | |
| 77 | G | A | -1.5161 | |
| 78 | G | A | -1.7525 | |
| 79 | K | A | -2.6554 | |
| 80 | S | A | -1.7977 | |
| 81 | I | A | 0.0000 | |
| 82 | S | A | -0.4317 | |
| 83 | F | A | 0.0000 | |
| 84 | T | A | -0.5473 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.8704 | |
| 87 | I | A | 0.0000 | |
| 88 | T | A | -0.4521 | |
| 89 | Y | A | -0.3888 | |
| 90 | P | A | -0.7334 | |
| 91 | S | A | -0.6634 | |
| 92 | S | A | -0.8809 | |
| 93 | G | A | -0.8412 | |
| 94 | T | A | -0.4818 | |
| 95 | A | A | -0.5383 | |
| 96 | P | A | -0.8563 | |
| 97 | Y | A | -0.4656 | |
| 98 | P | A | -0.4344 | |
| 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 | -1.4723 | |
| 105 | G | A | -1.1340 | |
| 106 | G | A | -0.6463 | |
| 107 | S | A | -0.2394 | |
| 108 | L | A | -0.1028 | |
| 109 | P | A | -0.7018 | |
| 110 | Q | A | -1.2293 | |
| 111 | P | A | -1.3955 | |
| 112 | D | A | -2.0902 | |
| 113 | G | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | N | A | -0.5855 | |
| 117 | I | A | 0.0000 | |
| 118 | N | A | -1.5215 | |
| 119 | F | A | 0.0000 | |
| 120 | N | A | -2.2982 | |
| 121 | N | A | 0.0000 | |
| 122 | D | A | -2.5366 | |
| 123 | D | A | -1.9777 | |
| 124 | I | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | K | A | -2.3052 | |
| 127 | Q | A | 0.0000 | |
| 128 | N | A | -2.0708 | |
| 129 | D | A | -1.5834 | |
| 130 | I | A | -0.0726 | |
| 131 | S | A | -0.6676 | |
| 132 | S | A | 0.0000 | |
| 133 | R | A | -1.0082 | |
| 134 | G | A | 0.0000 | |
| 135 | Q | A | -1.9196 | |
| 136 | G | A | -1.8455 | |
| 137 | K | A | -1.7062 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | D | A | -2.4619 | |
| 141 | L | A | 0.0000 | |
| 142 | Y | A | -1.0184 | |
| 143 | G | A | -1.1855 | |
| 144 | S | A | -1.1481 | |
| 145 | S | A | -0.6229 | |
| 146 | H | A | -0.4698 | |
| 147 | S | A | -0.3653 | |
| 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 | -0.7485 | |
| 160 | R | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | D | A | -0.7633 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | E | A | -1.2646 | |
| 167 | L | A | 0.5800 | |
| 168 | T | A | 0.0000 | |
| 169 | P | A | -0.6322 | |
| 170 | A | A | -0.3641 | |
| 171 | A | A | 0.0000 | |
| 172 | K | A | -1.0360 | |
| 173 | I | A | 0.0000 | |
| 174 | D | A | -1.1044 | |
| 175 | T | A | -1.0919 | |
| 176 | T | A | -0.6780 | |
| 177 | K | A | -0.5945 | |
| 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 | -0.7248 | |
| 185 | R | A | -1.1872 | |
| 186 | N | A | -1.0006 | |
| 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 | -1.9481 | |
| 199 | R | A | -1.4328 | |
| 200 | I | A | 0.0000 | |
| 201 | V | A | -0.3982 | |
| 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 | -2.1798 | |
| 221 | Y | A | -0.9525 | |
| 222 | L | A | 0.0000 | |
| 223 | K | A | -2.1095 | |
| 224 | S | A | -1.6772 | |
| 225 | Q | A | -2.0754 | |
| 226 | G | A | -1.8930 | |
| 227 | K | A | -2.1648 | |
| 228 | N | A | -2.1372 | |
| 229 | I | A | 0.0000 | |
| 230 | Q | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | S | A | -1.4455 | |
| 234 | E | A | -1.0324 | |
| 235 | I | A | 0.0000 | |
| 236 | V | A | -0.4763 | |
| 237 | G | A | -0.8677 | |
| 238 | E | A | -0.9529 | |
| 239 | Y | A | -0.7020 | |
| 240 | P | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | T | A | -0.5912 | |
| 245 | T | A | -0.5898 | |
| 246 | F | A | 0.0000 | |
| 247 | N | A | -1.6748 | |
| 248 | S | A | -1.1435 | |
| 249 | Y | A | -1.0891 | |
| 250 | V | A | 0.0000 | |
| 251 | N | A | -2.2785 | |
| 252 | K | A | -2.0292 | |
| 253 | V | A | 0.0000 | |
| 254 | E | A | -1.5786 | |
| 255 | L | A | -0.6287 | |
| 256 | L | A | 0.0000 | |
| 257 | P | A | -0.0088 | |
| 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 | -0.3915 | |
| 270 | R | A | -0.5427 | |
| 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 | -1.6734 | |
| 279 | I | A | -1.0468 | |
| 280 | D | A | -1.9005 | |
| 281 | W | A | -0.7387 | |
| 282 | L | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | E | A | -0.9770 | |
| 286 | S | A | 0.0000 | |
| 287 | C | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | C | A | 0.0000 | |
| 291 | M | A | 0.0000 | |
| 292 | Y | A | 0.0307 | |
| 293 | A | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | R | A | -0.3610 | |
| 296 | R | A | -0.4843 | |
| 297 | A | A | 0.0000 | |
| 298 | W | A | 0.0000 | |
| 299 | Q | A | -0.8068 | |
| 300 | A | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.7413 | |
| 303 | V | A | -0.3084 | |
| 304 | P | A | -0.6187 | |
| 305 | D | A | -0.8819 | |
| 306 | N | A | -0.7338 | |
| 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 | -0.2515 | |
| 313 | G | A | -0.7550 | |
| 314 | S | A | -0.4924 | |
| 315 | H | A | -0.3674 | |
| 316 | A | A | -0.3331 | |
| 317 | H | A | -0.5661 | |
| 318 | C | A | -0.0606 | |
| 319 | A | A | 0.0227 | |
| 320 | F | A | 0.0867 | |
| 321 | P | A | -0.1098 | |
| 322 | S | A | -0.5138 | |
| 323 | S | A | -0.4320 | |
| 324 | Q | A | 0.0000 | |
| 325 | Q | A | -0.8119 | |
| 326 | S | A | -0.6631 | |
| 327 | N | A | -0.6370 | |
| 328 | L | A | 0.0000 | |
| 329 | T | A | -0.6818 | |
| 330 | A | A | -0.7622 | |
| 331 | F | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | N | A | -1.0137 | |
| 334 | K | A | -1.0517 | |
| 335 | F | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | L | A | -0.4539 | |
| 338 | G | A | -0.9462 | |
| 339 | Q | A | -1.4707 | |
| 340 | S | A | -1.1380 | |
| 341 | T | A | -1.2948 | |
| 342 | N | A | -1.6070 | |
| 343 | T | A | 0.0000 | |
| 344 | A | A | -0.3739 | |
| 345 | I | A | 0.0565 | |
| 346 | F | A | 0.4500 | |
| 347 | S | A | -0.1295 | |
| 348 | S | A | -0.8972 | |
| 349 | D | A | -1.8418 | |
| 350 | F | A | -0.9012 | |
| 351 | S | A | -0.7368 | |
| 352 | P | A | -0.7688 | |
| 353 | N | A | -0.9913 | |
| 354 | E | A | -1.4461 | |
| 355 | S | A | -1.3659 | |
| 356 | Q | A | -1.3807 | |
| 357 | W | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | D | A | -2.1279 | |
| 360 | W | A | -0.9107 | |
| 361 | T | A | -0.4896 | |
| 362 | T | A | -0.2712 | |
| 363 | P | A | -0.4752 | |
| 364 | T | A | -0.4963 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6296 |
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