| Chain sequence(s) |
B: SLKGCELYVQLHGIQQVLKDCIVHLCISKPERPMKFLREHFEKLEKESPTPPNPVVKARRRRGGVSAEVYTEEDAVSYVRKVIPKDYKTMTALAKAISKNVLFAHLDDNERSDIFDAMFPVTHIAGETVIQQGNEGDNFYVVDQGEVDVYVNGEWVTNISEGGSFGELALIYGTPRAATVKAKTDLKLWGIDRDSYRRILMGSTLRKRKMYEEFLSKVSILESLEKWERLTVADALEPVQFEDGEKIVVQGEPGDDFYIITEGTASVLQRRSPNEEYVEVGRLGPSDYFGEIALLLNRPRAATVVARGPLKCVKLDRPRFERVLGPCSEILKRNIQRYNSFISLT
input PDB |
| Selected Chain(s) | B |
| 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] (00:00:06)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:06)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with B chain(s) selected (00:00:06)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:06)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:06)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:15)
[INFO] Main: Simulation completed successfully. (00:11:20)
|
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 | |
| 12 | S | B | 0.0802 | |
| 13 | L | B | 0.5922 | |
| 14 | K | B | -1.0535 | |
| 15 | G | B | -0.6836 | |
| 16 | C | B | -0.0886 | |
| 17 | E | B | -0.5224 | |
| 18 | L | B | 1.6387 | |
| 19 | Y | B | 2.3431 | |
| 20 | V | B | 2.4491 | |
| 21 | Q | B | 1.0116 | |
| 22 | L | B | 1.8275 | |
| 23 | H | B | 0.4194 | |
| 24 | G | B | 0.9707 | |
| 25 | I | B | 1.1286 | |
| 26 | Q | B | -0.3092 | |
| 27 | Q | B | 0.3289 | |
| 28 | V | B | 1.9406 | |
| 29 | L | B | 1.2075 | |
| 30 | K | B | -1.1292 | |
| 31 | D | B | -1.2942 | |
| 32 | C | B | 0.7281 | |
| 33 | I | B | 2.7123 | |
| 34 | V | B | 2.7018 | |
| 35 | H | B | 1.0417 | |
| 36 | L | B | 1.3833 | |
| 37 | C | B | 0.7725 | |
| 38 | I | B | -0.4397 | |
| 39 | S | B | -1.0284 | |
| 40 | K | B | -2.2647 | |
| 41 | P | B | -2.1413 | |
| 42 | E | B | -3.0038 | |
| 43 | R | B | -2.4806 | |
| 44 | P | B | -1.3336 | |
| 45 | M | B | -0.2340 | |
| 46 | K | B | -1.9127 | |
| 47 | F | B | -0.4436 | |
| 48 | L | B | -0.1959 | |
| 49 | R | B | -1.9976 | |
| 50 | E | B | -2.8826 | |
| 51 | H | B | -1.8299 | |
| 52 | F | B | -0.0437 | |
| 53 | E | B | -2.1212 | |
| 54 | K | B | -2.2715 | |
| 55 | L | B | -0.4941 | |
| 56 | E | B | -1.4527 | |
| 57 | K | B | -2.7466 | |
| 58 | E | B | -2.3524 | |
| 81 | S | B | -0.4250 | |
| 82 | P | B | -0.4518 | |
| 83 | T | B | -0.5827 | |
| 84 | P | B | -0.8175 | |
| 85 | P | B | -1.0667 | |
| 86 | N | B | -0.9237 | |
| 87 | P | B | 0.1827 | |
| 88 | V | B | 1.8630 | |
| 89 | V | B | 1.0633 | |
| 90 | K | B | -1.7754 | |
| 91 | A | B | -1.7053 | |
| 92 | R | B | -3.6534 | |
| 93 | R | B | -4.3583 | |
| 94 | R | B | -4.3754 | |
| 95 | R | B | -3.7529 | |
| 96 | G | B | -1.8228 | |
| 97 | G | B | -0.3169 | |
| 98 | V | B | 1.3387 | |
| 99 | S | B | 0.5846 | |
| 100 | A | B | 0.1276 | |
| 101 | E | B | -0.6039 | |
| 102 | V | B | 1.0434 | |
| 103 | Y | B | -0.2067 | |
| 104 | T | B | -0.9405 | |
| 105 | E | B | -2.3308 | |
| 106 | E | B | -2.2864 | |
| 107 | D | B | -1.1572 | |
| 108 | A | B | 0.0000 | |
| 109 | V | B | 0.5181 | |
| 110 | S | B | 0.0610 | |
| 111 | Y | B | 0.7471 | |
| 112 | V | B | 1.6369 | |
| 113 | R | B | 0.1095 | |
| 114 | K | B | -0.1077 | |
| 115 | V | B | 1.1967 | |
| 116 | I | B | 0.5551 | |
| 117 | P | B | -0.0420 | |
| 118 | K | B | -0.9330 | |
| 119 | D | B | -1.8233 | |
| 120 | Y | B | -0.4083 | |
| 121 | K | B | -1.6695 | |
| 122 | T | B | -1.0371 | |
| 123 | M | B | -0.7237 | |
| 124 | T | B | -0.7349 | |
| 125 | A | B | -0.8602 | |
| 126 | L | B | 0.0000 | |
| 127 | A | B | -1.1127 | |
| 128 | K | B | -2.0872 | |
| 129 | A | B | -1.6055 | |
| 130 | I | B | 0.0000 | |
| 131 | S | B | -1.4480 | |
| 132 | K | B | -1.6756 | |
| 133 | N | B | -0.4401 | |
| 134 | V | B | 1.3289 | |
| 135 | L | B | 0.8336 | |
| 136 | F | B | 0.0000 | |
| 137 | A | B | -0.4727 | |
| 138 | H | B | -1.0519 | |
| 139 | L | B | 0.0000 | |
| 140 | D | B | -2.0249 | |
| 141 | D | B | -2.9218 | |
| 142 | N | B | -2.2169 | |
| 143 | E | B | 0.0000 | |
| 144 | R | B | -1.7766 | |
| 145 | S | B | -1.2120 | |
| 146 | D | B | -1.0353 | |
| 147 | I | B | 0.0000 | |
| 148 | F | B | 0.0000 | |
| 149 | D | B | 0.0458 | |
| 150 | A | B | 0.0000 | |
| 151 | M | B | 0.0000 | |
| 152 | F | B | 0.4375 | |
| 153 | P | B | -0.2653 | |
| 154 | V | B | -0.4186 | |
| 155 | T | B | -0.9052 | |
| 156 | H | B | -0.4690 | |
| 157 | I | B | 0.1757 | |
| 158 | A | B | -0.9369 | |
| 159 | G | B | -1.2706 | |
| 160 | E | B | -1.0408 | |
| 161 | T | B | -0.7377 | |
| 162 | V | B | -0.1143 | |
| 163 | I | B | -1.1906 | |
| 164 | Q | B | -1.6778 | |
| 165 | Q | B | -1.7165 | |
| 166 | G | B | -1.9515 | |
| 167 | N | B | -2.8108 | |
| 168 | E | B | -3.1893 | |
| 169 | G | B | 0.0000 | |
| 170 | D | B | -2.5236 | |
| 171 | N | B | -1.3155 | |
| 172 | F | B | 0.0000 | |
| 173 | Y | B | 0.0108 | |
| 174 | V | B | 0.0000 | |
| 175 | V | B | 0.0000 | |
| 176 | D | B | -2.4175 | |
| 177 | Q | B | -3.2315 | |
| 178 | G | B | -2.5729 | |
| 179 | E | B | -2.5808 | |
| 180 | V | B | 0.0000 | |
| 181 | D | B | 0.0000 | |
| 182 | V | B | 0.5462 | |
| 183 | Y | B | 0.1856 | |
| 184 | V | B | -0.0885 | |
| 185 | N | B | -1.4781 | |
| 186 | G | B | -1.4021 | |
| 187 | E | B | -1.2683 | |
| 188 | W | B | 0.8189 | |
| 189 | V | B | 1.5255 | |
| 190 | T | B | 0.8601 | |
| 191 | N | B | -0.0045 | |
| 192 | I | B | -0.4605 | |
| 193 | S | B | -1.7261 | |
| 194 | E | B | -3.0466 | |
| 195 | G | B | -2.1033 | |
| 196 | G | B | -1.0909 | |
| 197 | S | B | -0.3747 | |
| 198 | F | B | 0.3375 | |
| 199 | G | B | 0.0571 | |
| 200 | E | B | 0.5776 | |
| 201 | L | B | 1.5824 | |
| 202 | A | B | 0.0000 | |
| 203 | L | B | 0.0000 | |
| 204 | I | B | 0.6154 | |
| 205 | Y | B | 0.1055 | |
| 206 | G | B | -1.0343 | |
| 207 | T | B | -0.8266 | |
| 208 | P | B | -2.1161 | |
| 209 | R | B | 0.0000 | |
| 210 | A | B | -0.7321 | |
| 211 | A | B | -0.4759 | |
| 212 | T | B | -0.8990 | |
| 213 | V | B | 0.0000 | |
| 214 | K | B | -1.1340 | |
| 215 | A | B | 0.0000 | |
| 216 | K | B | -1.7781 | |
| 217 | T | B | -1.7799 | |
| 218 | D | B | -1.9679 | |
| 219 | L | B | 0.0000 | |
| 220 | K | B | -2.7036 | |
| 221 | L | B | 0.0000 | |
| 222 | W | B | -0.3914 | |
| 223 | G | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | D | B | -1.1524 | |
| 226 | R | B | -0.9653 | |
| 227 | D | B | -1.2698 | |
| 228 | S | B | 0.0000 | |
| 229 | Y | B | 0.0000 | |
| 230 | R | B | -0.5284 | |
| 231 | R | B | -0.2087 | |
| 232 | I | B | 0.0000 | |
| 233 | L | B | -0.0128 | |
| 234 | M | B | -0.1444 | |
| 235 | G | B | -0.6056 | |
| 236 | S | B | -0.9826 | |
| 237 | T | B | -1.2174 | |
| 238 | L | B | -1.6556 | |
| 239 | R | B | -2.6379 | |
| 240 | K | B | -3.0483 | |
| 241 | R | B | -3.4777 | |
| 242 | K | B | -3.4469 | |
| 243 | M | B | -2.2737 | |
| 244 | Y | B | 0.0000 | |
| 245 | E | B | -2.8950 | |
| 246 | E | B | -3.0039 | |
| 247 | F | B | -1.8779 | |
| 248 | L | B | 0.0000 | |
| 249 | S | B | -2.5723 | |
| 250 | K | B | -2.6866 | |
| 251 | V | B | 0.0000 | |
| 252 | S | B | -1.1609 | |
| 253 | I | B | 0.0000 | |
| 254 | L | B | 0.0000 | |
| 255 | E | B | -2.6461 | |
| 256 | S | B | -2.4795 | |
| 257 | L | B | -1.8219 | |
| 258 | E | B | -2.5716 | |
| 259 | K | B | -2.1910 | |
| 260 | W | B | -0.4254 | |
| 261 | E | B | -1.0092 | |
| 262 | R | B | -1.6839 | |
| 263 | L | B | -1.5069 | |
| 264 | T | B | -0.6260 | |
| 265 | V | B | 0.0000 | |
| 266 | A | B | 0.0000 | |
| 267 | D | B | -2.5230 | |
| 268 | A | B | -1.0806 | |
| 269 | L | B | -1.3349 | |
| 270 | E | B | -1.7115 | |
| 271 | P | B | -0.8613 | |
| 272 | V | B | -0.0384 | |
| 273 | Q | B | -1.3183 | |
| 274 | F | B | -2.1909 | |
| 275 | E | B | -3.7642 | |
| 276 | D | B | -3.8874 | |
| 277 | G | B | -2.9257 | |
| 278 | E | B | -3.1150 | |
| 279 | K | B | -2.1183 | |
| 280 | I | B | -0.5297 | |
| 281 | V | B | 0.0000 | |
| 282 | V | B | -0.2322 | |
| 283 | Q | B | -0.8895 | |
| 284 | G | B | -1.6190 | |
| 285 | E | B | -1.9998 | |
| 286 | P | B | -2.0573 | |
| 287 | G | B | 0.0000 | |
| 288 | D | B | -1.7281 | |
| 289 | D | B | -1.2358 | |
| 290 | F | B | 0.0000 | |
| 291 | Y | B | 0.0000 | |
| 292 | I | B | 0.0000 | |
| 293 | I | B | 0.0000 | |
| 294 | T | B | -1.1478 | |
| 295 | E | B | -1.8433 | |
| 296 | G | B | -1.7835 | |
| 297 | T | B | -1.7136 | |
| 298 | A | B | 0.0000 | |
| 299 | S | B | 0.0000 | |
| 300 | V | B | -0.5102 | |
| 301 | L | B | -0.4258 | |
| 302 | Q | B | -1.0548 | |
| 303 | R | B | -2.4897 | |
| 304 | R | B | -2.6247 | |
| 305 | S | B | -2.2737 | |
| 306 | P | B | -2.0823 | |
| 307 | N | B | -2.6945 | |
| 308 | E | B | -3.2047 | |
| 309 | E | B | -2.8463 | |
| 310 | Y | B | -1.2017 | |
| 311 | V | B | -0.3448 | |
| 312 | E | B | -0.7380 | |
| 313 | V | B | 0.7178 | |
| 314 | G | B | -0.5575 | |
| 315 | R | B | -2.0501 | |
| 316 | L | B | -1.1395 | |
| 317 | G | B | -1.2285 | |
| 318 | P | B | -1.1714 | |
| 319 | S | B | -1.1577 | |
| 320 | D | B | -1.3716 | |
| 321 | Y | B | -0.3452 | |
| 322 | F | B | 0.0844 | |
| 323 | G | B | -0.3280 | |
| 324 | E | B | -0.1104 | |
| 325 | I | B | 0.0751 | |
| 326 | A | B | 0.0000 | |
| 327 | L | B | 0.0000 | |
| 328 | L | B | -0.3186 | |
| 329 | L | B | -0.4341 | |
| 330 | N | B | -1.8332 | |
| 331 | R | B | -2.6860 | |
| 332 | P | B | -2.1775 | |
| 333 | R | B | -1.5693 | |
| 334 | A | B | -0.9489 | |
| 335 | A | B | -0.4815 | |
| 336 | T | B | 0.0000 | |
| 337 | V | B | 0.0000 | |
| 338 | V | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | R | B | -3.3291 | |
| 341 | G | B | 0.0000 | |
| 342 | P | B | -2.5393 | |
| 343 | L | B | 0.0000 | |
| 344 | K | B | -1.3098 | |
| 345 | C | B | 0.0000 | |
| 346 | V | B | 0.0000 | |
| 347 | K | B | -0.6856 | |
| 348 | L | B | 0.0000 | |
| 349 | D | B | -1.2218 | |
| 350 | R | B | -1.4745 | |
| 351 | P | B | -1.1968 | |
| 352 | R | B | -1.1620 | |
| 353 | F | B | 0.0000 | |
| 354 | E | B | -1.5952 | |
| 355 | R | B | -1.6732 | |
| 356 | V | B | 0.4992 | |
| 357 | L | B | -0.0073 | |
| 358 | G | B | -0.9529 | |
| 359 | P | B | -1.1530 | |
| 360 | C | B | 0.0000 | |
| 361 | S | B | -1.5351 | |
| 362 | E | B | -2.6123 | |
| 363 | I | B | 0.0000 | |
| 364 | L | B | 0.0000 | |
| 365 | K | B | -2.9234 | |
| 366 | R | B | -3.1659 | |
| 367 | N | B | -2.2692 | |
| 368 | I | B | -0.8740 | |
| 369 | Q | B | -1.4990 | |
| 370 | R | B | -1.3619 | |
| 371 | Y | B | -1.2646 | |
| 372 | N | B | -0.5355 | |
| 373 | S | B | 0.2425 | |
| 374 | F | B | 1.0038 | |
| 375 | I | B | 1.7036 | |
| 376 | S | B | 0.9637 | |
| 377 | L | B | 1.8169 | |
| 378 | T | B | 1.0267 |
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