| Chain sequence(s) |
A: AKHLFTSESVSEGHPDKIADQISDAVLDAILEQDPKARVACETYVKTGMVLVGGEITTSAWVDIEEITRNTVREIGYVHSDMGFDANSCAVLSAIGKQSPDINQGVDRADPLEQGAGDQGLMFGYATNETDVLMPAPITYAHRLVQRQAEVRKNGTLPWLRPDAKSQVTFQYDDGKIVGIDAVVLSTQHSEEIDQKSLQEAVMEEIIKPILPAEWLTSATKFFINPTGRFVIGGPMGDCGLTGRKIIVDTYGGMARHGGGAFSGKDPSKVDRSAAYAARYVAKNIVAAGLADRCEIQVSYAIGVAEPTSIMVETFGTEKVPSEQLTLLVREFFDLRPYGLIQMLDLLHPIYKETAAYGHFGREHFPWEKTDKAQLLRDAAGLKGSHHHHHH
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:18:45)
[INFO] Main: Simulation completed successfully. (00:18:51)
|
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 | A | A | -2.1932 | |
| 2 | K | A | -2.6473 | |
| 3 | H | A | -1.4078 | |
| 4 | L | A | 0.3060 | |
| 5 | F | A | 0.7410 | |
| 6 | T | A | 0.1962 | |
| 7 | S | A | 0.0000 | |
| 8 | E | A | -0.6721 | |
| 9 | S | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | S | A | 0.0000 | |
| 12 | E | A | -0.9181 | |
| 13 | G | A | 0.0000 | |
| 14 | H | A | 0.0000 | |
| 15 | P | A | 0.0000 | |
| 16 | D | A | 0.0000 | |
| 17 | K | A | 0.0000 | |
| 18 | I | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | D | A | 0.0000 | |
| 21 | Q | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | S | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | A | A | -0.0787 | |
| 26 | V | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | D | A | -0.9452 | |
| 29 | A | A | -0.9850 | |
| 30 | I | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | E | A | -2.9115 | |
| 33 | Q | A | -2.4614 | |
| 34 | D | A | -2.6758 | |
| 35 | P | A | -2.4045 | |
| 36 | K | A | -2.4858 | |
| 37 | A | A | 0.0000 | |
| 38 | R | A | -1.5929 | |
| 39 | V | A | 0.0000 | |
| 40 | A | A | -1.3309 | |
| 41 | C | A | 0.0000 | |
| 42 | E | A | -1.3559 | |
| 43 | T | A | 0.0000 | |
| 44 | Y | A | 0.8416 | |
| 45 | V | A | 0.0000 | |
| 46 | K | A | -1.5414 | |
| 47 | T | A | -1.0241 | |
| 48 | G | A | -0.5377 | |
| 49 | M | A | 0.1087 | |
| 50 | V | A | 0.0000 | |
| 51 | L | A | 0.8996 | |
| 52 | V | A | 0.0000 | |
| 53 | G | A | -0.3775 | |
| 54 | G | A | -1.5928 | |
| 55 | E | A | -2.6717 | |
| 56 | I | A | -1.4387 | |
| 57 | T | A | -1.2853 | |
| 58 | T | A | -1.0637 | |
| 59 | S | A | -0.6195 | |
| 60 | A | A | -0.4810 | |
| 61 | W | A | 0.6157 | |
| 62 | V | A | -0.4984 | |
| 63 | D | A | -1.9593 | |
| 64 | I | A | -1.2124 | |
| 65 | E | A | -2.0530 | |
| 66 | E | A | -3.0091 | |
| 67 | I | A | -1.5300 | |
| 68 | T | A | 0.0000 | |
| 69 | R | A | -2.6699 | |
| 70 | N | A | -2.7859 | |
| 71 | T | A | -2.0259 | |
| 72 | V | A | 0.0000 | |
| 73 | R | A | -3.2377 | |
| 74 | E | A | -3.2204 | |
| 75 | I | A | 0.0000 | |
| 76 | G | A | -1.9546 | |
| 77 | Y | A | 0.0000 | |
| 78 | V | A | -1.4136 | |
| 79 | H | A | -1.9508 | |
| 80 | S | A | -1.7462 | |
| 81 | D | A | -2.3567 | |
| 82 | M | A | 0.0000 | |
| 83 | G | A | -0.5522 | |
| 84 | F | A | 0.0000 | |
| 85 | D | A | -1.6000 | |
| 86 | A | A | 0.0000 | |
| 87 | N | A | -2.2432 | |
| 88 | S | A | -1.0274 | |
| 89 | C | A | 0.0000 | |
| 90 | A | A | -0.0495 | |
| 91 | V | A | 0.4389 | |
| 92 | L | A | 1.6228 | |
| 93 | S | A | 0.6545 | |
| 94 | A | A | 0.0821 | |
| 95 | I | A | -0.4795 | |
| 96 | G | A | -1.5699 | |
| 97 | K | A | -2.4773 | |
| 98 | Q | A | 0.0000 | |
| 99 | S | A | -1.5763 | |
| 100 | P | A | -1.5909 | |
| 101 | D | A | -2.2230 | |
| 102 | I | A | -1.0280 | |
| 103 | N | A | -1.7188 | |
| 104 | Q | A | -2.4128 | |
| 105 | G | A | -1.5461 | |
| 106 | V | A | 0.0000 | |
| 107 | D | A | -2.6189 | |
| 108 | R | A | -2.4553 | |
| 109 | A | A | -1.6049 | |
| 110 | D | A | -2.0590 | |
| 111 | P | A | -1.0308 | |
| 112 | L | A | -0.1610 | |
| 113 | E | A | -2.1801 | |
| 114 | Q | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | D | A | -1.5967 | |
| 119 | Q | A | -1.5470 | |
| 120 | G | A | -1.0687 | |
| 121 | L | A | -0.3043 | |
| 122 | M | A | 0.0000 | |
| 123 | F | A | -0.4625 | |
| 124 | G | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | N | A | -1.7590 | |
| 129 | E | A | -1.8852 | |
| 130 | T | A | -1.3884 | |
| 131 | D | A | -1.9325 | |
| 132 | V | A | -1.1435 | |
| 133 | L | A | 0.0000 | |
| 134 | M | A | 0.0000 | |
| 135 | P | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | P | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | T | A | -0.3874 | |
| 140 | Y | A | -0.5981 | |
| 141 | A | A | 0.0000 | |
| 142 | H | A | 0.0000 | |
| 143 | R | A | -2.1397 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | Q | A | -1.9713 | |
| 147 | R | A | -2.3897 | |
| 148 | Q | A | 0.0000 | |
| 149 | A | A | -2.1729 | |
| 150 | E | A | -2.7465 | |
| 151 | V | A | -1.8867 | |
| 152 | R | A | 0.0000 | |
| 153 | K | A | -3.2119 | |
| 154 | N | A | -2.4830 | |
| 155 | G | A | -1.4062 | |
| 156 | T | A | -0.9622 | |
| 157 | L | A | -0.6398 | |
| 158 | P | A | -0.6394 | |
| 159 | W | A | -0.4463 | |
| 160 | L | A | 0.0000 | |
| 161 | R | A | -0.8739 | |
| 162 | P | A | -0.8447 | |
| 163 | D | A | -0.4335 | |
| 164 | A | A | 0.0000 | |
| 165 | K | A | -0.8007 | |
| 166 | S | A | 0.0000 | |
| 167 | Q | A | -0.4742 | |
| 168 | V | A | 0.0000 | |
| 169 | T | A | -0.0496 | |
| 170 | F | A | 0.0000 | |
| 171 | Q | A | -0.2172 | |
| 172 | Y | A | -1.4313 | |
| 173 | D | A | -2.8790 | |
| 174 | D | A | -3.1330 | |
| 175 | G | A | -2.3265 | |
| 176 | K | A | -2.3386 | |
| 177 | I | A | -0.2673 | |
| 178 | V | A | 0.4718 | |
| 179 | G | A | 0.3172 | |
| 180 | I | A | 0.0000 | |
| 181 | D | A | -0.2818 | |
| 182 | A | A | -0.1937 | |
| 183 | V | A | 0.0000 | |
| 184 | V | A | 0.2978 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | -0.1426 | |
| 187 | T | A | 0.0000 | |
| 188 | Q | A | 0.0000 | |
| 189 | H | A | 0.0000 | |
| 190 | S | A | -1.5685 | |
| 191 | E | A | -2.8568 | |
| 192 | E | A | -2.8625 | |
| 193 | I | A | -2.3083 | |
| 194 | D | A | -3.6936 | |
| 195 | Q | A | -3.2722 | |
| 196 | K | A | -3.1723 | |
| 197 | S | A | -2.6145 | |
| 198 | L | A | 0.0000 | |
| 199 | Q | A | -2.2012 | |
| 200 | E | A | -3.2252 | |
| 201 | A | A | -2.1418 | |
| 202 | V | A | 0.0000 | |
| 203 | M | A | -1.8756 | |
| 204 | E | A | -3.0094 | |
| 205 | E | A | -2.2024 | |
| 206 | I | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | K | A | -2.0770 | |
| 209 | P | A | -1.6650 | |
| 210 | I | A | -1.0308 | |
| 211 | L | A | 0.0000 | |
| 212 | P | A | -0.8428 | |
| 213 | A | A | -1.0690 | |
| 214 | E | A | -1.5083 | |
| 215 | W | A | -0.3046 | |
| 216 | L | A | -0.6895 | |
| 217 | T | A | -0.7069 | |
| 218 | S | A | -0.4965 | |
| 219 | A | A | -0.4654 | |
| 220 | T | A | -0.6264 | |
| 221 | K | A | -1.0643 | |
| 222 | F | A | 0.6179 | |
| 223 | F | A | 1.0970 | |
| 224 | I | A | 0.0000 | |
| 225 | N | A | 0.0000 | |
| 226 | P | A | -0.1659 | |
| 227 | T | A | -0.5687 | |
| 228 | G | A | -1.4495 | |
| 229 | R | A | -1.6197 | |
| 230 | F | A | 0.4087 | |
| 231 | V | A | 0.7506 | |
| 232 | I | A | 1.8426 | |
| 233 | G | A | 0.7038 | |
| 234 | G | A | 0.0000 | |
| 235 | P | A | 0.0000 | |
| 236 | M | A | 0.2163 | |
| 237 | G | A | -0.5378 | |
| 238 | D | A | -2.0065 | |
| 239 | C | A | -0.8628 | |
| 240 | G | A | 0.0000 | |
| 241 | L | A | -0.3019 | |
| 242 | T | A | 0.0000 | |
| 243 | G | A | -1.2753 | |
| 244 | R | A | -1.8138 | |
| 245 | K | A | -0.9309 | |
| 246 | I | A | -0.4419 | |
| 247 | I | A | -0.0820 | |
| 248 | V | A | 0.0715 | |
| 249 | D | A | 0.0000 | |
| 250 | T | A | 0.0158 | |
| 251 | Y | A | 0.0000 | |
| 252 | G | A | 0.0000 | |
| 253 | G | A | -0.2247 | |
| 254 | M | A | -0.0890 | |
| 255 | A | A | 0.0000 | |
| 256 | R | A | -2.2261 | |
| 257 | H | A | -1.5941 | |
| 258 | G | A | -1.0879 | |
| 259 | G | A | -0.9460 | |
| 260 | G | A | -0.8839 | |
| 261 | A | A | -0.7876 | |
| 262 | F | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | K | A | -0.9053 | |
| 266 | D | A | 0.0000 | |
| 267 | P | A | 0.0000 | |
| 268 | S | A | -0.8660 | |
| 269 | K | A | -1.2148 | |
| 270 | V | A | 0.0000 | |
| 271 | D | A | -1.0261 | |
| 272 | R | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | A | A | -0.0841 | |
| 276 | Y | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | R | A | 0.0000 | |
| 280 | Y | A | -0.4895 | |
| 281 | V | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | K | A | 0.0000 | |
| 284 | N | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | A | A | -1.0504 | |
| 288 | A | A | 0.0000 | |
| 289 | G | A | -1.6215 | |
| 290 | L | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | D | A | -1.8819 | |
| 293 | R | A | -1.1839 | |
| 294 | C | A | 0.0000 | |
| 295 | E | A | -0.7647 | |
| 296 | I | A | 0.0000 | |
| 297 | Q | A | -0.2147 | |
| 298 | V | A | 0.0000 | |
| 299 | S | A | -0.3421 | |
| 300 | Y | A | 0.0000 | |
| 301 | A | A | -0.5541 | |
| 302 | I | A | -0.1314 | |
| 303 | G | A | 0.0000 | |
| 304 | V | A | -0.1637 | |
| 305 | A | A | -0.8579 | |
| 306 | E | A | -2.2133 | |
| 307 | P | A | -1.0465 | |
| 308 | T | A | -0.5263 | |
| 309 | S | A | -0.0621 | |
| 310 | I | A | 0.5220 | |
| 311 | M | A | 0.5976 | |
| 312 | V | A | 0.0674 | |
| 313 | E | A | -0.9121 | |
| 314 | T | A | -0.5200 | |
| 315 | F | A | 0.9537 | |
| 316 | G | A | -0.3090 | |
| 317 | T | A | -0.7472 | |
| 318 | E | A | -1.4388 | |
| 319 | K | A | -2.2118 | |
| 320 | V | A | -1.3347 | |
| 321 | P | A | -1.4704 | |
| 322 | S | A | -1.5650 | |
| 323 | E | A | -1.8976 | |
| 324 | Q | A | -1.8840 | |
| 325 | L | A | 0.0000 | |
| 326 | T | A | -0.7870 | |
| 327 | L | A | -0.3666 | |
| 328 | L | A | -0.5620 | |
| 329 | V | A | 0.0000 | |
| 330 | R | A | -2.2600 | |
| 331 | E | A | -2.1811 | |
| 332 | F | A | -0.8693 | |
| 333 | F | A | 0.0000 | |
| 334 | D | A | -2.0329 | |
| 335 | L | A | 0.0000 | |
| 336 | R | A | -1.6530 | |
| 337 | P | A | 0.0000 | |
| 338 | Y | A | -0.1339 | |
| 339 | G | A | -0.8432 | |
| 340 | L | A | 0.0000 | |
| 341 | I | A | -0.7405 | |
| 342 | Q | A | -1.5094 | |
| 343 | M | A | -0.6687 | |
| 344 | L | A | 0.0000 | |
| 345 | D | A | -2.0625 | |
| 346 | L | A | 0.0000 | |
| 347 | L | A | -1.2205 | |
| 348 | H | A | -1.3067 | |
| 349 | P | A | -0.5591 | |
| 350 | I | A | 1.0401 | |
| 351 | Y | A | 0.0000 | |
| 352 | K | A | -0.5871 | |
| 353 | E | A | -1.4139 | |
| 354 | T | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | Y | A | -0.6874 | |
| 358 | G | A | -0.2455 | |
| 359 | H | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | G | A | -1.5097 | |
| 362 | R | A | -2.5023 | |
| 363 | E | A | -3.2537 | |
| 364 | H | A | -2.6134 | |
| 365 | F | A | -1.5705 | |
| 366 | P | A | -1.5628 | |
| 367 | W | A | 0.0000 | |
| 368 | E | A | 0.0000 | |
| 369 | K | A | -3.1900 | |
| 370 | T | A | -2.4006 | |
| 371 | D | A | -2.6241 | |
| 372 | K | A | -1.7969 | |
| 373 | A | A | 0.0000 | |
| 374 | Q | A | -1.4705 | |
| 375 | L | A | -0.1307 | |
| 376 | L | A | 0.0000 | |
| 377 | R | A | 0.0000 | |
| 378 | D | A | -2.0031 | |
| 379 | A | A | -0.7359 | |
| 380 | A | A | -1.0007 | |
| 381 | G | A | -1.2657 | |
| 382 | L | A | -1.7204 | |
| 383 | K | A | -2.2879 | |
| 384 | G | A | -1.6094 | |
| 385 | S | A | -1.8982 | |
| 386 | H | A | -2.3980 | |
| 387 | H | A | -2.2814 | |
| 388 | H | A | -2.5834 | |
| 389 | H | A | -2.4949 | |
| 390 | H | A | -2.5190 | |
| 391 | H | A | -2.2484 |
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