| Chain sequence(s) |
A: MGSIGAASMEFCFDVFKELKVHHANENIFYCPIAIMSALAMVYLGAKDSTRTQINKVVRFDKLPGFGDSIEAQCGTSVNVHSSLRDILNQITKPNDVYSFSLASRLYAEERYPILPEYLQCVKELYRGGLEPINFQTAADQARELINSWVESQTNGIIRNVLQPSSVDSQTAMVLVNAIVFKGLWEKAFKDEDTQAMPFRVTEQESKPVQMMYQIGLFRVASMASEKMKILELPFASGTMSMLVLLPDEVSGLEQLESIINFEKLTEWTSSNVMEERKIKVYLPRMKMEEKYNLTSVLMAMGITDVFSSSANLSGISSAESLKISQAVHAAHAEINEAGREVVGSAEAGVDAASVSEEFRADHPFLFCIKHIATNAVLFFGRCVSP
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] (00:00:00)
[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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:31)
[INFO] Main: Simulation completed successfully. (00:06:34)
|
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 | 0.8490 | |
| 2 | G | A | -0.3066 | |
| 3 | S | A | -0.3225 | |
| 4 | I | A | 0.0000 | |
| 5 | G | A | 0.0000 | |
| 6 | A | A | -0.6880 | |
| 7 | A | A | 0.0000 | |
| 8 | S | A | 0.0000 | |
| 9 | M | A | 0.0000 | |
| 10 | E | A | -0.7884 | |
| 11 | F | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | F | A | 0.0000 | |
| 14 | D | A | -1.0668 | |
| 15 | V | A | 0.0000 | |
| 16 | F | A | 0.0000 | |
| 17 | K | A | -1.4824 | |
| 18 | E | A | -0.8446 | |
| 19 | L | A | 0.0000 | |
| 20 | K | A | -0.8040 | |
| 21 | V | A | 0.5861 | |
| 22 | H | A | -0.8966 | |
| 23 | H | A | -1.2643 | |
| 24 | A | A | -1.2262 | |
| 25 | N | A | -2.1597 | |
| 26 | E | A | -2.7307 | |
| 27 | N | A | -1.7201 | |
| 28 | I | A | 0.0000 | |
| 29 | F | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | C | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | M | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | M | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | Y | A | 0.0000 | |
| 44 | L | A | -0.0950 | |
| 45 | G | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | K | A | -2.5381 | |
| 48 | D | A | -2.7700 | |
| 49 | S | A | -1.6973 | |
| 50 | T | A | 0.0000 | |
| 51 | R | A | -2.0057 | |
| 52 | T | A | -1.6633 | |
| 53 | Q | A | -1.4586 | |
| 54 | I | A | 0.0000 | |
| 55 | N | A | -1.8713 | |
| 56 | K | A | -2.5072 | |
| 57 | V | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | R | A | -1.9456 | |
| 60 | F | A | 0.0000 | |
| 61 | D | A | -2.6289 | |
| 62 | K | A | -1.8857 | |
| 63 | L | A | 0.0000 | |
| 64 | P | A | -0.5674 | |
| 65 | G | A | -0.7519 | |
| 66 | F | A | -0.8911 | |
| 67 | G | A | -1.3109 | |
| 68 | D | A | -1.9390 | |
| 69 | S | A | -1.2175 | |
| 70 | I | A | -0.7351 | |
| 71 | E | A | -1.8992 | |
| 72 | A | A | -1.2124 | |
| 73 | Q | A | -1.8411 | |
| 74 | C | A | -1.3546 | |
| 75 | G | A | -0.8181 | |
| 76 | T | A | -0.9088 | |
| 77 | S | A | -0.6439 | |
| 78 | V | A | -0.4702 | |
| 79 | N | A | -0.4044 | |
| 80 | V | A | 0.0000 | |
| 81 | H | A | 0.0000 | |
| 82 | S | A | -0.9310 | |
| 83 | S | A | -0.8382 | |
| 84 | L | A | 0.0000 | |
| 85 | R | A | -2.2316 | |
| 86 | D | A | -2.3120 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | N | A | -2.7950 | |
| 90 | Q | A | -2.2665 | |
| 91 | I | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | K | A | -2.4587 | |
| 94 | P | A | -1.9373 | |
| 95 | N | A | -2.0388 | |
| 96 | D | A | -2.0971 | |
| 97 | V | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | S | A | -1.3339 | |
| 100 | F | A | 0.0000 | |
| 101 | S | A | -0.6810 | |
| 102 | L | A | -0.2158 | |
| 103 | A | A | 0.0000 | |
| 104 | S | A | 0.0000 | |
| 105 | R | A | -0.7319 | |
| 106 | L | A | 0.0000 | |
| 107 | Y | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | E | A | 0.0000 | |
| 110 | E | A | -3.0122 | |
| 111 | R | A | -2.8536 | |
| 112 | Y | A | 0.0000 | |
| 113 | P | A | -0.8480 | |
| 114 | I | A | -0.4809 | |
| 115 | L | A | -0.0979 | |
| 116 | P | A | -0.8511 | |
| 117 | E | A | -1.9963 | |
| 118 | Y | A | 0.0000 | |
| 119 | L | A | -1.2630 | |
| 120 | Q | A | -2.2328 | |
| 121 | C | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | K | A | -3.2119 | |
| 124 | E | A | -3.1721 | |
| 125 | L | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | R | A | -2.8929 | |
| 128 | G | A | -1.7140 | |
| 129 | G | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | E | A | -1.2043 | |
| 132 | P | A | -1.6921 | |
| 133 | I | A | 0.0000 | |
| 134 | N | A | -1.9016 | |
| 135 | F | A | 0.0000 | |
| 136 | Q | A | -1.8647 | |
| 137 | T | A | -1.0682 | |
| 138 | A | A | -1.3604 | |
| 139 | A | A | -2.1564 | |
| 140 | D | A | -3.0771 | |
| 141 | Q | A | -2.3143 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | 0.0000 | |
| 144 | E | A | -2.1316 | |
| 145 | L | A | -0.1352 | |
| 146 | I | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | S | A | -0.9627 | |
| 149 | W | A | -0.4480 | |
| 150 | V | A | 0.0000 | |
| 151 | E | A | -1.7423 | |
| 152 | S | A | -1.3652 | |
| 153 | Q | A | -1.1699 | |
| 154 | T | A | 0.0000 | |
| 155 | N | A | -1.8117 | |
| 156 | G | A | -1.3636 | |
| 157 | I | A | -1.0577 | |
| 158 | I | A | 0.0000 | |
| 159 | R | A | -2.7977 | |
| 160 | N | A | -2.8128 | |
| 161 | V | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | Q | A | -1.9712 | |
| 164 | P | A | -1.6135 | |
| 165 | S | A | -1.1736 | |
| 166 | S | A | -1.1110 | |
| 167 | V | A | 0.0000 | |
| 168 | D | A | -2.1103 | |
| 169 | S | A | -1.7743 | |
| 170 | Q | A | -1.7633 | |
| 171 | T | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | M | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | N | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | F | A | 0.0000 | |
| 182 | K | A | -1.5242 | |
| 183 | G | A | -1.2437 | |
| 184 | L | A | -1.1429 | |
| 185 | W | A | 0.0000 | |
| 186 | E | A | -1.9423 | |
| 187 | K | A | -1.3554 | |
| 188 | A | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | K | A | -2.1097 | |
| 191 | D | A | -3.5053 | |
| 192 | E | A | -3.2934 | |
| 193 | D | A | -2.3201 | |
| 194 | T | A | -2.3693 | |
| 195 | Q | A | -1.9270 | |
| 196 | A | A | -0.9664 | |
| 197 | M | A | -0.8133 | |
| 198 | P | A | -1.2717 | |
| 199 | F | A | 0.0000 | |
| 200 | R | A | -2.7177 | |
| 201 | V | A | -1.8565 | |
| 202 | T | A | -2.5129 | |
| 203 | E | A | -3.4035 | |
| 204 | Q | A | -3.1839 | |
| 205 | E | A | -3.4468 | |
| 206 | S | A | -2.5164 | |
| 207 | K | A | -1.3784 | |
| 208 | P | A | -1.0958 | |
| 209 | V | A | 0.0000 | |
| 210 | Q | A | -1.8879 | |
| 211 | M | A | 0.0000 | |
| 212 | M | A | 0.0000 | |
| 213 | Y | A | -1.0845 | |
| 214 | Q | A | 0.0000 | |
| 215 | I | A | -0.2010 | |
| 216 | G | A | 0.0000 | |
| 217 | L | A | -1.1557 | |
| 218 | F | A | 0.0000 | |
| 219 | R | A | -2.8641 | |
| 220 | V | A | -1.8488 | |
| 221 | A | A | 0.0000 | |
| 222 | S | A | -0.8230 | |
| 223 | M | A | -0.6393 | |
| 224 | A | A | -0.7734 | |
| 225 | S | A | -0.5922 | |
| 226 | E | A | -1.0996 | |
| 227 | K | A | -2.2183 | |
| 228 | M | A | 0.0000 | |
| 229 | K | A | -1.2009 | |
| 230 | I | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | E | A | -0.9489 | |
| 233 | L | A | 0.0000 | |
| 234 | P | A | -0.5850 | |
| 235 | F | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | S | A | -0.9707 | |
| 238 | G | A | -0.5643 | |
| 239 | T | A | -0.0083 | |
| 240 | M | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | M | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | P | A | 0.0000 | |
| 248 | D | A | -3.0503 | |
| 249 | E | A | -2.6978 | |
| 250 | V | A | -2.0631 | |
| 251 | S | A | -1.8606 | |
| 252 | G | A | -1.9946 | |
| 253 | L | A | 0.0000 | |
| 254 | E | A | -2.1925 | |
| 255 | Q | A | -1.7674 | |
| 256 | L | A | 0.0000 | |
| 257 | E | A | 0.0000 | |
| 258 | S | A | -0.9166 | |
| 259 | I | A | -0.1767 | |
| 260 | I | A | 0.0000 | |
| 261 | N | A | -1.3952 | |
| 262 | F | A | -1.4190 | |
| 263 | E | A | -2.6998 | |
| 264 | K | A | -2.2069 | |
| 265 | L | A | 0.0000 | |
| 266 | T | A | -1.9353 | |
| 267 | E | A | -2.6832 | |
| 268 | W | A | 0.0000 | |
| 269 | T | A | -1.2245 | |
| 270 | S | A | -1.2446 | |
| 271 | S | A | -1.5610 | |
| 272 | N | A | -1.6530 | |
| 273 | V | A | -0.9107 | |
| 274 | M | A | 0.0000 | |
| 275 | E | A | -3.5722 | |
| 276 | E | A | -3.8807 | |
| 277 | R | A | -3.3476 | |
| 278 | K | A | -2.1806 | |
| 279 | I | A | 0.0000 | |
| 280 | K | A | -1.0268 | |
| 281 | V | A | 0.0000 | |
| 282 | Y | A | -0.6141 | |
| 283 | L | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | R | A | -1.4682 | |
| 286 | M | A | 0.0000 | |
| 287 | K | A | -2.4190 | |
| 288 | M | A | 0.0000 | |
| 289 | E | A | -2.0886 | |
| 290 | E | A | -1.5322 | |
| 291 | K | A | -1.5108 | |
| 292 | Y | A | 0.0000 | |
| 293 | N | A | -1.1737 | |
| 294 | L | A | 0.0000 | |
| 295 | T | A | 0.0000 | |
| 296 | S | A | -0.3255 | |
| 297 | V | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | M | A | 0.3999 | |
| 300 | A | A | 0.1720 | |
| 301 | M | A | -0.3190 | |
| 302 | G | A | -0.3083 | |
| 303 | I | A | 0.0000 | |
| 304 | T | A | -0.0741 | |
| 305 | D | A | -0.5514 | |
| 306 | V | A | 0.0000 | |
| 307 | F | A | -0.1092 | |
| 308 | S | A | -0.4394 | |
| 309 | S | A | -0.8399 | |
| 310 | S | A | -0.8581 | |
| 311 | A | A | -1.4310 | |
| 312 | N | A | -2.0747 | |
| 313 | L | A | 0.0000 | |
| 314 | S | A | -1.1930 | |
| 315 | G | A | -0.6011 | |
| 316 | I | A | 0.0000 | |
| 317 | S | A | 0.0000 | |
| 318 | S | A | -0.6910 | |
| 319 | A | A | -1.4030 | |
| 320 | E | A | -2.2163 | |
| 321 | S | A | -1.3984 | |
| 322 | L | A | 0.0000 | |
| 323 | K | A | -0.9691 | |
| 324 | I | A | 0.0000 | |
| 325 | S | A | -0.5183 | |
| 326 | Q | A | -0.3897 | |
| 327 | A | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | H | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | H | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -1.8997 | |
| 335 | I | A | 0.0000 | |
| 336 | N | A | -1.5133 | |
| 337 | E | A | -1.1091 | |
| 338 | A | A | -1.0792 | |
| 339 | G | A | -1.4323 | |
| 340 | R | A | -2.5820 | |
| 341 | E | A | -2.1162 | |
| 342 | V | A | -0.0934 | |
| 343 | V | A | -0.3782 | |
| 344 | G | A | -0.6753 | |
| 345 | S | A | -0.6070 | |
| 346 | A | A | -1.1042 | |
| 347 | E | A | -1.7233 | |
| 348 | A | A | -1.0101 | |
| 349 | G | A | -1.0475 | |
| 350 | V | A | -0.6211 | |
| 351 | D | A | -1.7225 | |
| 352 | A | A | -0.7611 | |
| 353 | A | A | -0.5928 | |
| 354 | S | A | -0.7662 | |
| 355 | V | A | 0.0000 | |
| 356 | S | A | -1.0259 | |
| 357 | E | A | -1.9261 | |
| 358 | E | A | -1.4499 | |
| 359 | F | A | 0.0000 | |
| 360 | R | A | -1.5712 | |
| 361 | A | A | 0.0000 | |
| 362 | D | A | 0.0000 | |
| 363 | H | A | 0.0000 | |
| 364 | P | A | 0.0000 | |
| 365 | F | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | F | A | 0.0000 | |
| 368 | C | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | 0.0000 | |
| 371 | H | A | 0.0000 | |
| 372 | I | A | 0.3545 | |
| 373 | A | A | 0.0774 | |
| 374 | T | A | -0.2757 | |
| 375 | N | A | -0.7775 | |
| 376 | A | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | F | A | 0.0000 | |
| 381 | G | A | 0.0000 | |
| 382 | R | A | 0.0000 | |
| 383 | C | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | S | A | -0.8283 | |
| 386 | P | A | -0.7982 |
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