| Chain sequence(s) |
A: SCSALPSSFTLTSNEKLVDLFTHFNGTKVTTKEEFACRQAELSELIQRYELGTLPGRPSTLTASFSGNTLTINCGENGKSISFTVTITYPSSGTAPYPAIIGFGGGSLPQPSGVALINFNNDEIAKQTSSSSRGQGKFYDLYGSSHSAGAMTAWAWGVSRVIDALELTPAANIDTTKIGVTGCSRNGKGALVAGAFEKRIVLTLPQESGMGGSACWRISDYLKSQGYNIQTASEIVGEYPWFSTTFNSYVNNVSNLPFDHHHLAALIAPRGLLVIDNVIDWLGPESCYGCMYAARRAWQALGVPDNMGYSQIGSHAHCAFPSSQQADLTAFVNKFLLGQSVNTAIFRSDFSPNESQWIDWTTPTLS
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 (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:50)
[INFO] Main: Simulation completed successfully. (00:04:53)
|
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 | -0.3218 | |
| 2 | C | A | -0.0769 | |
| 3 | S | A | -0.1837 | |
| 4 | A | A | -0.0106 | |
| 5 | L | A | -0.1983 | |
| 6 | P | A | -0.2545 | |
| 7 | S | A | -0.2674 | |
| 8 | S | A | -0.1487 | |
| 9 | F | A | 0.2284 | |
| 10 | T | A | 0.1300 | |
| 11 | L | A | 0.0757 | |
| 12 | T | A | -0.2569 | |
| 13 | S | A | -1.3286 | |
| 14 | N | A | -1.8329 | |
| 15 | E | A | -2.6578 | |
| 16 | K | A | -2.2670 | |
| 17 | L | A | 0.0000 | |
| 18 | V | A | -0.7269 | |
| 19 | D | A | -0.6506 | |
| 20 | L | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | T | A | -1.0678 | |
| 23 | H | A | -1.0191 | |
| 24 | F | A | -0.4697 | |
| 25 | N | A | -1.4855 | |
| 26 | G | A | -1.3454 | |
| 27 | T | A | -1.4649 | |
| 28 | K | A | -2.0999 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | -1.2457 | |
| 31 | T | A | -1.6893 | |
| 32 | K | A | -2.2733 | |
| 33 | E | A | -2.6542 | |
| 34 | E | A | -2.0969 | |
| 35 | F | A | 0.0000 | |
| 36 | A | A | -1.0632 | |
| 37 | C | A | -0.7493 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.5976 | |
| 40 | A | A | -0.3494 | |
| 41 | E | A | -0.3806 | |
| 42 | L | A | 0.0000 | |
| 43 | S | A | -0.6898 | |
| 44 | E | A | -1.1968 | |
| 45 | L | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | Q | A | -0.7161 | |
| 48 | R | A | -0.8073 | |
| 49 | Y | A | -0.4528 | |
| 50 | E | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | T | A | -0.3438 | |
| 54 | L | A | -0.2197 | |
| 55 | P | A | -0.5255 | |
| 56 | G | A | -1.3340 | |
| 57 | R | A | -2.1472 | |
| 58 | P | A | 0.0000 | |
| 59 | S | A | -1.0556 | |
| 60 | T | A | -0.9309 | |
| 61 | L | A | -0.2957 | |
| 62 | T | A | 0.0666 | |
| 63 | A | A | -0.0275 | |
| 64 | S | A | 0.0465 | |
| 65 | F | A | -0.0109 | |
| 66 | S | A | -0.5727 | |
| 67 | G | A | -0.9398 | |
| 68 | N | A | -1.1010 | |
| 69 | T | A | -0.7196 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.1956 | |
| 72 | I | A | 0.0000 | |
| 73 | N | A | -0.5657 | |
| 74 | C | A | 0.0000 | |
| 75 | G | A | -1.5006 | |
| 76 | E | A | -1.8954 | |
| 77 | N | A | -2.1955 | |
| 78 | G | A | -2.0533 | |
| 79 | K | A | -2.8091 | |
| 80 | S | A | -1.8516 | |
| 81 | I | A | 0.0000 | |
| 82 | S | A | -0.4267 | |
| 83 | F | A | 0.0000 | |
| 84 | T | A | -0.6446 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.7604 | |
| 87 | I | A | 0.0000 | |
| 88 | T | A | -0.2110 | |
| 89 | Y | A | -0.0095 | |
| 90 | P | A | -0.1959 | |
| 91 | S | A | -0.3500 | |
| 92 | S | A | -0.4592 | |
| 93 | G | A | -0.5125 | |
| 94 | T | A | -0.4560 | |
| 95 | A | A | -0.4759 | |
| 96 | P | A | -0.7890 | |
| 97 | Y | A | -0.3146 | |
| 98 | P | A | -0.2259 | |
| 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 | -1.4561 | |
| 105 | G | A | -0.9600 | |
| 106 | G | A | -0.5511 | |
| 107 | S | A | -0.2235 | |
| 108 | L | A | -0.0536 | |
| 109 | P | A | -0.3567 | |
| 110 | Q | A | -0.5506 | |
| 111 | P | A | -0.4802 | |
| 112 | S | A | -0.4520 | |
| 113 | G | A | -0.3271 | |
| 114 | V | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | L | A | -0.0727 | |
| 117 | I | A | 0.0000 | |
| 118 | N | A | -1.3247 | |
| 119 | F | A | 0.0000 | |
| 120 | N | A | -2.5747 | |
| 121 | N | A | 0.0000 | |
| 122 | D | A | -2.9112 | |
| 123 | E | A | -3.0672 | |
| 124 | I | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | K | A | -2.4215 | |
| 127 | Q | A | 0.0000 | |
| 128 | T | A | -0.7028 | |
| 129 | S | A | -0.6756 | |
| 130 | S | A | -0.7899 | |
| 131 | S | A | -0.8392 | |
| 132 | S | A | 0.0000 | |
| 133 | R | A | -1.1986 | |
| 134 | G | A | 0.0000 | |
| 135 | Q | A | -2.2028 | |
| 136 | G | A | -2.3241 | |
| 137 | K | A | -2.0460 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | D | A | -2.5032 | |
| 141 | L | A | 0.0000 | |
| 142 | Y | A | -1.0883 | |
| 143 | G | A | -1.2223 | |
| 144 | S | A | -1.1924 | |
| 145 | S | A | -0.6465 | |
| 146 | H | A | -0.4884 | |
| 147 | S | A | -0.3794 | |
| 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 | -0.7506 | |
| 160 | R | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | D | A | -0.7068 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | E | A | -1.2696 | |
| 167 | L | A | 0.5796 | |
| 168 | T | A | -0.0482 | |
| 169 | P | A | -0.5990 | |
| 170 | A | A | -0.3289 | |
| 171 | A | A | 0.0000 | |
| 172 | N | A | -0.9462 | |
| 173 | I | A | 0.0000 | |
| 174 | D | A | -1.0584 | |
| 175 | T | A | -1.0711 | |
| 176 | T | A | -0.6793 | |
| 177 | K | A | -0.5095 | |
| 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 | -0.5408 | |
| 185 | R | A | -0.7843 | |
| 186 | N | A | -0.8216 | |
| 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 | -1.9666 | |
| 199 | R | A | -1.4560 | |
| 200 | I | A | 0.0000 | |
| 201 | V | A | -0.3291 | |
| 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 | -2.0797 | |
| 221 | Y | A | -0.9052 | |
| 222 | L | A | 0.0000 | |
| 223 | K | A | -1.5009 | |
| 224 | S | A | -1.3484 | |
| 225 | Q | A | -1.5878 | |
| 226 | G | A | -0.9124 | |
| 227 | Y | A | -0.5321 | |
| 228 | N | A | -1.3572 | |
| 229 | I | A | 0.0000 | |
| 230 | Q | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | S | A | -1.5027 | |
| 234 | E | A | -1.0933 | |
| 235 | I | A | 0.0000 | |
| 236 | V | A | -0.6629 | |
| 237 | G | A | -1.0563 | |
| 238 | E | A | -0.9303 | |
| 239 | Y | A | -0.6094 | |
| 240 | P | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | T | A | -0.5881 | |
| 245 | T | A | -0.5811 | |
| 246 | F | A | 0.0000 | |
| 247 | N | A | -1.6760 | |
| 248 | S | A | -1.1703 | |
| 249 | Y | A | -1.1811 | |
| 250 | V | A | 0.0000 | |
| 251 | N | A | -2.4314 | |
| 252 | N | A | -2.5004 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | -1.9194 | |
| 255 | N | A | -1.2652 | |
| 256 | L | A | 0.0000 | |
| 257 | P | A | -0.0365 | |
| 258 | F | A | 0.0000 | |
| 259 | D | A | 0.0000 | |
| 260 | H | A | 0.0000 | |
| 261 | H | A | 0.0000 | |
| 262 | H | 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 | -0.4997 | |
| 270 | R | A | -0.5084 | |
| 271 | G | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | D | A | 0.0000 | |
| 277 | N | A | 0.0000 | |
| 278 | V | A | -0.0388 | |
| 279 | I | A | -0.3591 | |
| 280 | D | A | -1.2498 | |
| 281 | W | A | -0.3322 | |
| 282 | L | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | E | A | -0.6318 | |
| 286 | S | A | 0.0000 | |
| 287 | C | A | 0.0000 | |
| 288 | Y | A | -0.2628 | |
| 289 | G | A | 0.0000 | |
| 290 | C | A | 0.0000 | |
| 291 | M | A | 0.0000 | |
| 292 | Y | A | -0.0114 | |
| 293 | A | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | R | A | -0.6239 | |
| 296 | R | A | -0.7669 | |
| 297 | A | A | 0.0000 | |
| 298 | W | A | 0.0000 | |
| 299 | Q | A | -1.5246 | |
| 300 | A | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.8320 | |
| 303 | V | A | -0.4680 | |
| 304 | P | A | -0.9399 | |
| 305 | D | A | -1.2359 | |
| 306 | N | A | -0.9059 | |
| 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 | -0.1662 | |
| 313 | G | A | -0.4169 | |
| 314 | S | A | -0.1569 | |
| 315 | H | A | -0.1962 | |
| 316 | A | A | -0.1733 | |
| 317 | H | A | -0.4229 | |
| 318 | C | A | -0.0888 | |
| 319 | A | A | 0.0039 | |
| 320 | F | A | 0.0831 | |
| 321 | P | A | -0.1492 | |
| 322 | S | A | -0.4397 | |
| 323 | S | A | -0.3462 | |
| 324 | Q | A | 0.0000 | |
| 325 | Q | A | -0.5869 | |
| 326 | A | A | -0.2789 | |
| 327 | D | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | T | A | -0.2612 | |
| 330 | A | A | -0.4714 | |
| 331 | F | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | N | A | -0.6424 | |
| 334 | K | A | -0.8945 | |
| 335 | F | A | -0.2072 | |
| 336 | L | A | 0.0000 | |
| 337 | L | A | -0.0222 | |
| 338 | G | A | -0.7645 | |
| 339 | Q | A | -1.3245 | |
| 340 | S | A | -0.8816 | |
| 341 | V | A | -0.7093 | |
| 342 | N | A | -1.4269 | |
| 343 | T | A | 0.0000 | |
| 344 | A | A | -0.6631 | |
| 345 | I | A | 0.0000 | |
| 346 | F | A | -0.3451 | |
| 347 | R | A | -1.2135 | |
| 348 | S | A | -1.1605 | |
| 349 | D | A | -1.7781 | |
| 350 | F | A | -0.7649 | |
| 351 | S | A | -0.7266 | |
| 352 | P | A | -0.6570 | |
| 353 | N | A | -0.9389 | |
| 354 | E | A | -1.3581 | |
| 355 | S | A | -1.3540 | |
| 356 | Q | A | -1.5815 | |
| 357 | W | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | D | A | -2.1231 | |
| 360 | W | A | -0.9106 | |
| 361 | T | A | -0.4850 | |
| 362 | T | A | -0.4065 | |
| 363 | P | A | -0.5365 | |
| 364 | T | A | -0.6105 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.9307 |
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