| Chain sequence(s) |
A: MSIIYTPVHIIGSSSGGIVFNYDAARSGGVLRRIGVWAGEWQLRGIRVWFTHTANPQTFGTANVGSYKEFEFTDGERISRLSLWGNGAGTRSGGIRFFTTRQREFFHHMTSWPLKQEYAIEVASGLCVGLRGRAGADIDALGLTFLLPISHARLTNVRYPTLQLEAASIRPISIHEFYDENLSDNLPKEWTNTGSYTKTESASWSLTAGIEYHATVSVSAGIPAIAEVSGEFGWQVSVSGTYETTWEESETYGWSRGGVIPPRTWLSFIVTTRRGSLSVPYEGTMEIVLSTGARFSYALKGQYAGVAYTRVETRTQEGSLDAASHEGTTNILRSNVVGTKRSYGSIDSNIQVVSSRRRSSDHAAPHRLLLQHNGADGNTADINELHLDPN
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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:37)
[INFO] Main: Simulation completed successfully. (00:02:40)
|
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 | 1.3219 | |
| 2 | S | A | 0.9239 | |
| 3 | I | A | 1.9710 | |
| 4 | I | A | 0.0000 | |
| 5 | Y | A | 0.7482 | |
| 6 | T | A | 0.0000 | |
| 7 | P | A | -0.1735 | |
| 8 | V | A | -0.2193 | |
| 9 | H | A | -0.3847 | |
| 10 | I | A | 0.5336 | |
| 11 | I | A | 0.0000 | |
| 12 | G | A | -0.5154 | |
| 13 | S | A | -0.5510 | |
| 14 | S | A | -0.4813 | |
| 15 | S | A | -0.2121 | |
| 16 | G | A | -0.0833 | |
| 17 | G | A | 0.5699 | |
| 18 | I | A | 2.4254 | |
| 19 | V | A | 2.0198 | |
| 20 | F | A | 0.0000 | |
| 21 | N | A | -1.1556 | |
| 22 | Y | A | -0.7934 | |
| 23 | D | A | -1.0515 | |
| 24 | A | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | R | A | -2.0117 | |
| 27 | S | A | -1.3090 | |
| 28 | G | A | 0.0000 | |
| 29 | G | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | R | A | -2.2596 | |
| 33 | R | A | -2.1394 | |
| 34 | I | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | W | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | G | A | -1.0406 | |
| 40 | E | A | -1.8619 | |
| 41 | W | A | -0.6543 | |
| 42 | Q | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | R | A | -0.7599 | |
| 45 | G | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | R | A | -0.7921 | |
| 48 | V | A | 0.0000 | |
| 49 | W | A | -1.2511 | |
| 50 | F | A | 0.0000 | |
| 51 | T | A | 0.0000 | |
| 52 | H | A | -0.7930 | |
| 53 | T | A | -0.7416 | |
| 54 | A | A | -0.7491 | |
| 55 | N | A | -1.4359 | |
| 56 | P | A | -1.0222 | |
| 57 | Q | A | -0.8182 | |
| 58 | T | A | -0.5326 | |
| 59 | F | A | 0.1351 | |
| 60 | G | A | -0.1066 | |
| 61 | T | A | -0.3971 | |
| 62 | A | A | -0.4721 | |
| 63 | N | A | -0.9015 | |
| 64 | V | A | 0.0080 | |
| 65 | G | A | -0.7838 | |
| 66 | S | A | -0.6221 | |
| 67 | Y | A | -0.2312 | |
| 68 | K | A | -0.9758 | |
| 69 | E | A | -1.6022 | |
| 70 | F | A | 0.0000 | |
| 71 | E | A | -2.6615 | |
| 72 | F | A | -2.0566 | |
| 73 | T | A | -1.7469 | |
| 74 | D | A | -2.2121 | |
| 75 | G | A | -1.2430 | |
| 76 | E | A | 0.0000 | |
| 77 | R | A | -1.3535 | |
| 78 | I | A | 0.0000 | |
| 79 | S | A | -1.9366 | |
| 80 | R | A | -2.4042 | |
| 81 | L | A | 0.0000 | |
| 82 | S | A | -1.1306 | |
| 83 | L | A | 0.0000 | |
| 84 | W | A | 0.0000 | |
| 85 | G | A | -1.0715 | |
| 86 | N | A | 0.0000 | |
| 87 | G | A | -1.2093 | |
| 88 | A | A | -0.5510 | |
| 89 | G | A | -0.7790 | |
| 90 | T | A | -0.6034 | |
| 91 | R | A | -0.7819 | |
| 92 | S | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | R | A | -1.1203 | |
| 97 | F | A | 0.0000 | |
| 98 | F | A | -1.7177 | |
| 99 | T | A | 0.0000 | |
| 100 | T | A | -1.9618 | |
| 101 | R | A | -2.8509 | |
| 102 | Q | A | -2.6166 | |
| 103 | R | A | -2.2321 | |
| 104 | E | A | -1.9328 | |
| 105 | F | A | 0.0000 | |
| 106 | F | A | -0.3841 | |
| 107 | H | A | -0.4349 | |
| 108 | H | A | -0.6623 | |
| 109 | M | A | 0.0000 | |
| 110 | T | A | -0.7717 | |
| 111 | S | A | -0.5609 | |
| 112 | W | A | -0.0952 | |
| 113 | P | A | -0.4823 | |
| 114 | L | A | -1.2619 | |
| 115 | K | A | -2.6459 | |
| 116 | Q | A | -2.8379 | |
| 117 | E | A | -2.5795 | |
| 118 | Y | A | -1.0195 | |
| 119 | A | A | -1.1339 | |
| 120 | I | A | -1.1662 | |
| 121 | E | A | -2.1169 | |
| 122 | V | A | 0.0000 | |
| 123 | A | A | -0.6748 | |
| 124 | S | A | -0.2702 | |
| 125 | G | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | C | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | G | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | R | A | -0.7072 | |
| 132 | G | A | 0.0000 | |
| 133 | R | A | 0.5317 | |
| 134 | A | A | 0.0000 | |
| 135 | G | A | 0.1332 | |
| 136 | A | A | -0.2041 | |
| 137 | D | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | D | A | 0.0000 | |
| 140 | A | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | L | A | 0.2836 | |
| 148 | P | A | -0.0468 | |
| 149 | I | A | -0.2980 | |
| 150 | S | A | -0.4692 | |
| 151 | H | A | -0.8332 | |
| 152 | A | A | 0.0000 | |
| 153 | R | A | -1.2785 | |
| 154 | L | A | 0.0000 | |
| 155 | T | A | -1.2328 | |
| 156 | N | A | -1.9155 | |
| 157 | V | A | -1.8494 | |
| 158 | R | A | -2.4251 | |
| 159 | Y | A | 0.0000 | |
| 160 | P | A | -0.8265 | |
| 161 | T | A | -0.3350 | |
| 162 | L | A | 0.0000 | |
| 163 | Q | A | -0.8360 | |
| 164 | L | A | 0.7106 | |
| 165 | E | A | -0.1389 | |
| 166 | A | A | -0.4100 | |
| 167 | A | A | -0.2196 | |
| 168 | S | A | -0.5158 | |
| 169 | I | A | -0.8995 | |
| 170 | R | A | -1.9648 | |
| 171 | P | A | -1.1614 | |
| 172 | I | A | -0.4708 | |
| 173 | S | A | -0.6789 | |
| 174 | I | A | 0.0000 | |
| 175 | H | A | -0.6510 | |
| 176 | E | A | -1.6558 | |
| 177 | F | A | -0.2553 | |
| 178 | Y | A | -0.1689 | |
| 179 | D | A | -0.3753 | |
| 180 | E | A | -0.7314 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 0.4933 | |
| 183 | S | A | -0.6617 | |
| 184 | D | A | -2.0258 | |
| 185 | N | A | -1.5289 | |
| 186 | L | A | 0.0754 | |
| 187 | P | A | -0.4757 | |
| 188 | K | A | -1.0886 | |
| 189 | E | A | -1.7551 | |
| 190 | W | A | 0.0000 | |
| 191 | T | A | -0.9133 | |
| 192 | N | A | 0.0000 | |
| 193 | T | A | -0.9326 | |
| 194 | G | A | 0.0000 | |
| 195 | S | A | -0.1598 | |
| 196 | Y | A | 0.0000 | |
| 197 | T | A | -0.2183 | |
| 198 | K | A | 0.0000 | |
| 199 | T | A | -1.2251 | |
| 200 | E | A | -1.4423 | |
| 201 | S | A | -1.2184 | |
| 202 | A | A | 0.0000 | |
| 203 | S | A | -0.4835 | |
| 204 | W | A | 0.0000 | |
| 205 | S | A | -0.6943 | |
| 206 | L | A | -0.5546 | |
| 207 | T | A | -0.6154 | |
| 208 | A | A | -0.8585 | |
| 209 | G | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | E | A | 0.0000 | |
| 212 | Y | A | -0.4847 | |
| 213 | H | A | -0.3979 | |
| 214 | A | A | -0.3100 | |
| 215 | T | A | -0.7411 | |
| 216 | V | A | 0.0000 | |
| 217 | S | A | -0.9256 | |
| 218 | V | A | 0.0000 | |
| 219 | S | A | -0.6464 | |
| 220 | A | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.5695 | |
| 223 | P | A | 0.0000 | |
| 224 | A | A | -0.0208 | |
| 225 | I | A | 0.0000 | |
| 226 | A | A | -0.9805 | |
| 227 | E | A | -1.7071 | |
| 228 | V | A | 0.1292 | |
| 229 | S | A | -0.5097 | |
| 230 | G | A | -1.3159 | |
| 231 | E | A | -1.9326 | |
| 232 | F | A | -1.2840 | |
| 233 | G | A | -0.8561 | |
| 234 | W | A | 0.0000 | |
| 235 | Q | A | -0.6628 | |
| 236 | V | A | 0.9148 | |
| 237 | S | A | 1.1300 | |
| 238 | V | A | 1.8132 | |
| 239 | S | A | 0.6888 | |
| 240 | G | A | 0.2486 | |
| 241 | T | A | -0.4434 | |
| 242 | Y | A | -0.5706 | |
| 243 | E | A | -1.8137 | |
| 244 | T | A | -0.9560 | |
| 245 | T | A | -1.3266 | |
| 246 | W | A | -2.0218 | |
| 247 | E | A | -3.0456 | |
| 248 | E | A | -3.6382 | |
| 249 | S | A | 0.0000 | |
| 250 | E | A | -1.1024 | |
| 251 | T | A | 0.0125 | |
| 252 | Y | A | 0.5177 | |
| 253 | G | A | 0.0000 | |
| 254 | W | A | 0.0000 | |
| 255 | S | A | -1.0877 | |
| 256 | R | A | -1.0591 | |
| 257 | G | A | -0.9880 | |
| 258 | G | A | -0.7077 | |
| 259 | V | A | -0.1624 | |
| 260 | I | A | 0.0000 | |
| 261 | P | A | -0.8506 | |
| 262 | P | A | -0.8982 | |
| 263 | R | A | -1.4190 | |
| 264 | T | A | -1.2389 | |
| 265 | W | A | -0.7885 | |
| 266 | L | A | 0.0000 | |
| 267 | S | A | -1.1641 | |
| 268 | F | A | 0.0000 | |
| 269 | I | A | -1.0387 | |
| 270 | V | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | R | A | -1.1233 | |
| 274 | R | A | -1.1622 | |
| 275 | G | A | 0.0000 | |
| 276 | S | A | -0.5628 | |
| 277 | L | A | 0.0000 | |
| 278 | S | A | -0.4403 | |
| 279 | V | A | 0.0000 | |
| 280 | P | A | -1.2094 | |
| 281 | Y | A | 0.0000 | |
| 282 | E | A | -2.6077 | |
| 283 | G | A | -1.9008 | |
| 284 | T | A | -1.2058 | |
| 285 | M | A | 0.0000 | |
| 286 | E | A | -0.8986 | |
| 287 | I | A | 0.0000 | |
| 288 | V | A | -0.9760 | |
| 289 | L | A | 0.0000 | |
| 290 | S | A | -0.6352 | |
| 291 | T | A | -0.3269 | |
| 292 | G | A | -0.7665 | |
| 293 | A | A | -0.4553 | |
| 294 | R | A | -1.4748 | |
| 295 | F | A | -0.7827 | |
| 296 | S | A | -1.0259 | |
| 297 | Y | A | 0.0000 | |
| 298 | A | A | -1.0071 | |
| 299 | L | A | 0.0000 | |
| 300 | K | A | -2.4246 | |
| 301 | G | A | -1.2298 | |
| 302 | Q | A | -0.9238 | |
| 303 | Y | A | 0.0000 | |
| 304 | A | A | -0.2454 | |
| 305 | G | A | -0.2044 | |
| 306 | V | A | -0.2131 | |
| 307 | A | A | 0.0000 | |
| 308 | Y | A | 0.0000 | |
| 309 | T | A | 0.0000 | |
| 310 | R | A | -1.2268 | |
| 311 | V | A | 0.0000 | |
| 312 | E | A | -0.5876 | |
| 313 | T | A | 0.0000 | |
| 314 | R | A | -1.5963 | |
| 315 | T | A | -1.5232 | |
| 316 | Q | A | -2.2587 | |
| 317 | E | A | -2.3775 | |
| 318 | G | A | -1.5165 | |
| 319 | S | A | -1.1330 | |
| 320 | L | A | -0.7511 | |
| 321 | D | A | -1.6859 | |
| 322 | A | A | -1.2612 | |
| 323 | A | A | -1.2327 | |
| 324 | S | A | -1.7379 | |
| 325 | H | A | -2.3418 | |
| 326 | E | A | -2.5966 | |
| 327 | G | A | -1.8867 | |
| 328 | T | A | -0.9375 | |
| 329 | T | A | -0.3925 | |
| 330 | N | A | -0.3964 | |
| 331 | I | A | 1.5847 | |
| 332 | L | A | 1.3339 | |
| 333 | R | A | -0.8808 | |
| 334 | S | A | -0.2938 | |
| 335 | N | A | 0.1881 | |
| 336 | V | A | 2.1420 | |
| 337 | V | A | 1.7929 | |
| 338 | G | A | 0.1800 | |
| 339 | T | A | -1.0531 | |
| 340 | K | A | -2.3605 | |
| 341 | R | A | -2.5874 | |
| 342 | S | A | -1.0763 | |
| 343 | Y | A | 0.2786 | |
| 344 | G | A | -0.2996 | |
| 345 | S | A | 0.4632 | |
| 346 | I | A | 1.2996 | |
| 347 | D | A | -0.2874 | |
| 348 | S | A | -0.6867 | |
| 349 | N | A | -1.5437 | |
| 350 | I | A | -0.6099 | |
| 351 | Q | A | -0.3348 | |
| 352 | V | A | 1.3926 | |
| 353 | V | A | 1.8738 | |
| 354 | S | A | 0.2283 | |
| 355 | S | A | -1.4357 | |
| 356 | R | A | -3.8742 | |
| 357 | R | A | -4.5313 | |
| 358 | R | A | -4.0832 | |
| 359 | S | A | -2.8164 | |
| 360 | S | A | -2.3743 | |
| 361 | D | A | -2.8028 | |
| 362 | H | A | -2.0675 | |
| 363 | A | A | -1.1446 | |
| 364 | A | A | -1.1833 | |
| 365 | P | A | -1.1195 | |
| 366 | H | A | -1.2066 | |
| 367 | R | A | -1.0730 | |
| 368 | L | A | 1.2650 | |
| 369 | L | A | 1.8027 | |
| 370 | L | A | 1.4330 | |
| 371 | Q | A | -0.6719 | |
| 372 | H | A | -1.6658 | |
| 373 | N | A | -2.4363 | |
| 374 | G | A | -2.0814 | |
| 375 | A | A | -1.7323 | |
| 376 | D | A | -2.6043 | |
| 377 | G | A | -2.0312 | |
| 378 | N | A | -2.1102 | |
| 379 | T | A | -1.1324 | |
| 380 | A | A | -0.6461 | |
| 381 | D | A | -1.0232 | |
| 382 | I | A | 0.7680 | |
| 383 | N | A | -0.6083 | |
| 384 | E | A | -1.4525 | |
| 385 | L | A | -0.4632 | |
| 386 | H | A | -1.2259 | |
| 387 | L | A | -0.7722 | |
| 388 | D | A | -2.0241 | |
| 389 | P | A | -1.6293 | |
| 390 | N | A | -1.7672 |
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