| Chain sequence(s) |
A: MASSDAAAAQAATPLLKDELDIVIPTIRNLDFLEMWRPFFQPYHLIIVQDGDPKKTIRVPEGFDYELYNRDDINRILGPRASCISFKDSACRCFGYMVSKKKYIYTIDDDCFVAKDPSGKDINALEQHIKNLLNPSTPFFFNTLYDPYRDGADFVRGYPFSLREGAPTAVSHGLWLNIPDYDAPTQLVKPLERNSRYVDAVMTIPKGTLFPMCGMNLAFDRDLIGPAMYFGLMGDGQPIGRYDDMWAGWCTKVITDHLGLGVKTGLPYIWHSKASNPFVNLKKEYNGIFWQEELIPFFQSASLPKEADTVQKCYLELAKQVRAKLGKVDGYFNKLADSMVTWIEAWDQLNPPKGAVATANGTAKSK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | NS134A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.833231 kcal/mol |
| 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] FoldX: Building mutant model (00:04:46)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:38)
[INFO] Main: Simulation completed successfully. (00:07:40)
|
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 | 1.0061 | |
| 2 | A | A | 0.2227 | |
| 3 | S | A | -0.4565 | |
| 4 | S | A | -1.0726 | |
| 5 | D | A | -1.8823 | |
| 6 | A | A | -0.8710 | |
| 7 | A | A | -0.7469 | |
| 8 | A | A | -0.5148 | |
| 9 | A | A | -0.4435 | |
| 10 | Q | A | -1.1077 | |
| 11 | A | A | -0.5246 | |
| 12 | A | A | -0.1735 | |
| 13 | T | A | -0.1363 | |
| 14 | P | A | -0.3284 | |
| 15 | L | A | -0.1667 | |
| 16 | L | A | -1.0363 | |
| 17 | K | A | -1.9437 | |
| 18 | D | A | -2.8463 | |
| 19 | E | A | -2.8591 | |
| 20 | L | A | 0.0000 | |
| 21 | D | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | P | A | 0.0000 | |
| 26 | T | A | 0.0000 | |
| 27 | I | A | 0.4975 | |
| 28 | R | A | -1.0527 | |
| 29 | N | A | -1.8691 | |
| 30 | L | A | 0.0000 | |
| 31 | D | A | -1.9957 | |
| 32 | F | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | E | A | -1.6430 | |
| 35 | M | A | -0.4131 | |
| 36 | W | A | 0.0000 | |
| 37 | R | A | -1.0009 | |
| 38 | P | A | -0.8137 | |
| 39 | F | A | -0.6650 | |
| 40 | F | A | 0.0000 | |
| 41 | Q | A | -1.6863 | |
| 42 | P | A | -1.1755 | |
| 43 | Y | A | 0.0000 | |
| 44 | H | A | -1.5283 | |
| 45 | L | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | Q | A | 0.0000 | |
| 50 | D | A | 0.0000 | |
| 51 | G | A | -1.5449 | |
| 52 | D | A | -2.7055 | |
| 53 | P | A | -2.4261 | |
| 54 | K | A | -3.2413 | |
| 55 | K | A | -3.0432 | |
| 56 | T | A | -1.9073 | |
| 57 | I | A | 0.0000 | |
| 58 | R | A | -2.6167 | |
| 59 | V | A | -1.8323 | |
| 60 | P | A | 0.0000 | |
| 61 | E | A | -2.6685 | |
| 62 | G | A | -1.8536 | |
| 63 | F | A | 0.0000 | |
| 64 | D | A | -2.2227 | |
| 65 | Y | A | -0.7640 | |
| 66 | E | A | -0.9285 | |
| 67 | L | A | 0.0858 | |
| 68 | Y | A | -0.3069 | |
| 69 | N | A | -1.5254 | |
| 70 | R | A | -2.0914 | |
| 71 | D | A | -3.2101 | |
| 72 | D | A | -2.0255 | |
| 73 | I | A | 0.0000 | |
| 74 | N | A | -2.8545 | |
| 75 | R | A | -2.8868 | |
| 76 | I | A | -1.1505 | |
| 77 | L | A | 0.0000 | |
| 78 | G | A | -1.4119 | |
| 79 | P | A | -1.0789 | |
| 80 | R | A | -1.2332 | |
| 81 | A | A | 0.0000 | |
| 82 | S | A | -0.7948 | |
| 83 | C | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | S | A | 0.0000 | |
| 86 | F | A | -1.0114 | |
| 87 | K | A | -2.1048 | |
| 88 | D | A | -1.2517 | |
| 89 | S | A | -0.5075 | |
| 90 | A | A | 0.0000 | |
| 91 | C | A | 0.0000 | |
| 92 | R | A | 0.0000 | |
| 93 | C | A | 0.0000 | |
| 94 | F | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | Y | A | 0.0000 | |
| 97 | M | A | 0.0000 | |
| 98 | V | A | -0.1349 | |
| 99 | S | A | 0.0000 | |
| 100 | K | A | -2.3751 | |
| 101 | K | A | -2.6825 | |
| 102 | K | A | -2.4984 | |
| 103 | Y | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | Y | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | D | A | -0.5381 | |
| 109 | D | A | -0.6566 | |
| 110 | D | A | -0.9851 | |
| 111 | C | A | 0.0000 | |
| 112 | F | A | 0.4637 | |
| 113 | V | A | -0.3012 | |
| 114 | A | A | 0.0000 | |
| 115 | K | A | -3.0394 | |
| 116 | D | A | -2.3754 | |
| 117 | P | A | -1.6262 | |
| 118 | S | A | -1.6086 | |
| 119 | G | A | -2.3195 | |
| 120 | K | A | -3.4646 | |
| 121 | D | A | -3.3717 | |
| 122 | I | A | 0.0000 | |
| 123 | N | A | -1.3299 | |
| 124 | A | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | E | A | -1.1932 | |
| 127 | Q | A | -0.9280 | |
| 128 | H | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | K | A | -0.6247 | |
| 131 | N | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | L | A | 0.6463 | |
| 134 | S | A | 0.0000 | mutated: NS134A |
| 135 | P | A | -0.4641 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | F | A | 1.5969 | |
| 140 | F | A | 2.0135 | |
| 141 | F | A | 2.2009 | |
| 142 | N | A | 0.0000 | |
| 143 | T | A | 1.1581 | |
| 144 | L | A | 1.6754 | |
| 145 | Y | A | 1.1564 | |
| 146 | D | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | Y | A | -0.9280 | |
| 149 | R | A | -1.4499 | |
| 150 | D | A | -2.3606 | |
| 151 | G | A | -1.7486 | |
| 152 | A | A | -1.2350 | |
| 153 | D | A | -1.9079 | |
| 154 | F | A | -0.4070 | |
| 155 | V | A | -0.6841 | |
| 156 | R | A | -1.8612 | |
| 157 | G | A | -0.9752 | |
| 158 | Y | A | 0.0000 | |
| 159 | P | A | 0.6839 | |
| 160 | F | A | 1.3249 | |
| 161 | S | A | 0.4196 | |
| 162 | L | A | 0.6043 | |
| 163 | R | A | -0.5809 | |
| 164 | E | A | -1.7296 | |
| 165 | G | A | -0.8525 | |
| 166 | A | A | 0.0000 | |
| 167 | P | A | -0.3531 | |
| 168 | T | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | S | A | 0.0000 | |
| 172 | H | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | L | A | 0.5311 | |
| 175 | W | A | 0.3135 | |
| 176 | L | A | 0.0000 | |
| 177 | N | A | -1.2400 | |
| 178 | I | A | 0.0000 | |
| 179 | P | A | -1.2114 | |
| 180 | D | A | -1.2950 | |
| 181 | Y | A | -0.7330 | |
| 182 | D | A | -1.1847 | |
| 183 | A | A | 0.0000 | |
| 184 | P | A | 0.4480 | |
| 185 | T | A | -0.1479 | |
| 186 | Q | A | 0.0372 | |
| 187 | L | A | 1.0936 | |
| 188 | V | A | 1.4911 | |
| 189 | K | A | -0.0277 | |
| 190 | P | A | 0.2387 | |
| 191 | L | A | 0.7922 | |
| 192 | E | A | -0.7964 | |
| 193 | R | A | -1.6873 | |
| 194 | N | A | -1.5411 | |
| 195 | S | A | -1.3996 | |
| 196 | R | A | -1.8353 | |
| 197 | Y | A | -0.6669 | |
| 198 | V | A | 0.2244 | |
| 199 | D | A | -1.1283 | |
| 200 | A | A | 0.0807 | |
| 201 | V | A | 0.0000 | |
| 202 | M | A | 0.9489 | |
| 203 | T | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | P | A | -0.0781 | |
| 206 | K | A | -1.3494 | |
| 207 | G | A | -1.4716 | |
| 208 | T | A | -0.8848 | |
| 209 | L | A | -0.2565 | |
| 210 | F | A | 0.2453 | |
| 211 | P | A | -0.2026 | |
| 212 | M | A | 0.0000 | |
| 213 | C | A | 0.0000 | |
| 214 | G | A | 0.0000 | |
| 215 | M | A | 0.0000 | |
| 216 | N | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | D | A | 0.0000 | |
| 221 | R | A | 0.0000 | |
| 222 | D | A | -2.0895 | |
| 223 | L | A | -0.5710 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | M | A | 0.0000 | |
| 229 | Y | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | M | A | 0.0000 | |
| 234 | G | A | -1.8094 | |
| 235 | D | A | -2.3922 | |
| 236 | G | A | -1.5354 | |
| 237 | Q | A | -1.2279 | |
| 238 | P | A | -1.0848 | |
| 239 | I | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | R | A | -1.3031 | |
| 242 | Y | A | 0.0000 | |
| 243 | D | A | -0.5366 | |
| 244 | D | A | -0.4365 | |
| 245 | M | A | -0.1630 | |
| 246 | W | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | W | A | 0.0000 | |
| 250 | C | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | K | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | D | A | -0.7892 | |
| 257 | H | A | -1.2189 | |
| 258 | L | A | -0.4815 | |
| 259 | G | A | -0.2413 | |
| 260 | L | A | 0.0000 | |
| 261 | G | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | K | A | 0.0000 | |
| 264 | T | A | 0.1988 | |
| 265 | G | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | P | A | 0.0000 | |
| 268 | Y | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | W | A | 0.2757 | |
| 271 | H | A | -0.4153 | |
| 272 | S | A | -0.9225 | |
| 273 | K | A | -2.0238 | |
| 274 | A | A | -1.1454 | |
| 275 | S | A | -0.6286 | |
| 276 | N | A | -0.3446 | |
| 277 | P | A | 0.3172 | |
| 278 | F | A | 1.6736 | |
| 279 | V | A | 0.9393 | |
| 280 | N | A | 0.0000 | |
| 281 | L | A | -0.0799 | |
| 282 | K | A | -1.0661 | |
| 283 | K | A | -1.2403 | |
| 284 | E | A | 0.0000 | |
| 285 | Y | A | 0.4953 | |
| 286 | N | A | 0.2287 | |
| 287 | G | A | 0.0000 | |
| 288 | I | A | 0.8803 | |
| 289 | F | A | 1.4638 | |
| 290 | W | A | 0.0114 | |
| 291 | Q | A | -0.8200 | |
| 292 | E | A | -1.9492 | |
| 293 | E | A | -2.1456 | |
| 294 | L | A | 0.0000 | |
| 295 | I | A | -0.9598 | |
| 296 | P | A | -1.3453 | |
| 297 | F | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | Q | A | -1.3194 | |
| 300 | S | A | -0.8561 | |
| 301 | A | A | -0.5714 | |
| 302 | S | A | -0.6911 | |
| 303 | L | A | -1.2291 | |
| 304 | P | A | -2.0426 | |
| 305 | K | A | -3.1107 | |
| 306 | E | A | -3.4686 | |
| 307 | A | A | 0.0000 | |
| 308 | D | A | -3.1382 | |
| 309 | T | A | -1.6989 | |
| 310 | V | A | 0.0000 | |
| 311 | Q | A | -1.0602 | |
| 312 | K | A | -1.9667 | |
| 313 | C | A | 0.0000 | |
| 314 | Y | A | 0.0000 | |
| 315 | L | A | -0.3569 | |
| 316 | E | A | -0.8077 | |
| 317 | L | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | K | A | -2.5697 | |
| 320 | Q | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | R | A | -3.6768 | |
| 323 | A | A | -2.2665 | |
| 324 | K | A | -2.5986 | |
| 325 | L | A | 0.0000 | |
| 326 | G | A | -2.5971 | |
| 327 | K | A | -2.4724 | |
| 328 | V | A | -1.4888 | |
| 329 | D | A | -1.6126 | |
| 330 | G | A | -1.6377 | |
| 331 | Y | A | 0.0000 | |
| 332 | F | A | 0.0000 | |
| 333 | N | A | -2.7425 | |
| 334 | K | A | -2.4089 | |
| 335 | L | A | 0.0000 | |
| 336 | A | A | 0.0000 | |
| 337 | D | A | -2.4421 | |
| 338 | S | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | V | A | -0.2256 | |
| 341 | T | A | -0.6901 | |
| 342 | W | A | 0.0000 | |
| 343 | I | A | 0.0000 | |
| 344 | E | A | -1.4377 | |
| 345 | A | A | 0.0000 | |
| 346 | W | A | 0.0000 | |
| 347 | D | A | -1.5009 | |
| 348 | Q | A | -1.5064 | |
| 349 | L | A | -0.7413 | |
| 350 | N | A | -1.3143 | |
| 351 | P | A | -1.2199 | |
| 352 | P | A | -1.3343 | |
| 353 | K | A | -1.8853 | |
| 354 | G | A | -0.8853 | |
| 355 | A | A | -0.0176 | |
| 356 | V | A | 1.3887 | |
| 357 | A | A | 0.5102 | |
| 358 | T | A | 0.0651 | |
| 359 | A | A | -0.4521 | |
| 360 | N | A | -1.4949 | |
| 361 | G | A | -1.3087 | |
| 362 | T | A | -0.9967 | |
| 363 | A | A | -1.3210 | |
| 364 | K | A | -2.2999 | |
| 365 | S | A | -1.8847 | |
| 366 | K | A | -2.2470 |
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