| 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 |
| Mutated residues | VT19A,IT18A,IT3A,VT353A,VT352A,VT337A,VT336A,VT238A,IT346A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.41921 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:01:12)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:18)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:30)
[INFO] Main: Simulation completed successfully. (00:02:32)
|
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 | 0.7921 | |
| 2 | S | A | -0.0840 | |
| 3 | T | A | -0.1130 | mutated: IT3A |
| 4 | I | A | 0.0000 | |
| 5 | Y | A | 0.1525 | |
| 6 | T | A | 0.0000 | |
| 7 | P | A | -0.4092 | |
| 8 | V | A | -0.2180 | |
| 9 | H | A | -0.3854 | |
| 10 | I | A | 0.5349 | |
| 11 | I | A | 0.0000 | |
| 12 | G | A | -0.5134 | |
| 13 | S | A | -0.5560 | |
| 14 | S | A | -0.4869 | |
| 15 | S | A | -0.7339 | |
| 16 | G | A | -0.8316 | |
| 17 | G | A | -0.9264 | |
| 18 | T | A | -0.5847 | mutated: IT18A |
| 19 | T | A | -0.8523 | mutated: VT19A |
| 20 | F | A | 0.0000 | |
| 21 | N | A | -1.5775 | |
| 22 | Y | A | -0.7912 | |
| 23 | D | A | -1.0443 | |
| 24 | A | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | R | A | -2.0108 | |
| 27 | S | A | -1.3050 | |
| 28 | G | A | 0.0000 | |
| 29 | G | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | R | A | -2.2137 | |
| 33 | R | A | -2.1325 | |
| 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 | -1.0325 | |
| 40 | E | A | -1.8624 | |
| 41 | W | A | -0.6549 | |
| 42 | Q | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | R | A | -0.7476 | |
| 45 | G | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | R | A | -0.8035 | |
| 48 | V | A | 0.0000 | |
| 49 | W | A | -1.2376 | |
| 50 | F | A | 0.0000 | |
| 51 | T | A | 0.0000 | |
| 52 | H | A | -0.7769 | |
| 53 | T | A | -0.7324 | |
| 54 | A | A | -0.7443 | |
| 55 | N | A | -1.4317 | |
| 56 | P | A | -1.0215 | |
| 57 | Q | A | -0.8082 | |
| 58 | T | A | -0.5252 | |
| 59 | F | A | -0.2750 | |
| 60 | G | A | -0.3434 | |
| 61 | T | A | -0.3878 | |
| 62 | A | A | -0.4637 | |
| 63 | N | A | -0.8890 | |
| 64 | V | A | 0.0359 | |
| 65 | G | A | -0.7697 | |
| 66 | S | A | -0.6173 | |
| 67 | Y | A | -0.2318 | |
| 68 | K | A | -0.9772 | |
| 69 | E | A | -1.6147 | |
| 70 | F | A | 0.0000 | |
| 71 | E | A | -2.6549 | |
| 72 | F | A | -2.0449 | |
| 73 | T | A | -1.7399 | |
| 74 | D | A | -2.2060 | |
| 75 | G | A | -1.2465 | |
| 76 | E | A | 0.0000 | |
| 77 | R | A | -1.3522 | |
| 78 | I | A | 0.0000 | |
| 79 | S | A | -1.9330 | |
| 80 | R | A | -2.4037 | |
| 81 | L | A | 0.0000 | |
| 82 | S | A | -1.1315 | |
| 83 | L | A | 0.0000 | |
| 84 | W | A | 0.0000 | |
| 85 | G | A | -1.0682 | |
| 86 | N | A | 0.0000 | |
| 87 | G | A | -1.2085 | |
| 88 | A | A | -0.5490 | |
| 89 | G | A | -0.7724 | |
| 90 | T | A | -0.5989 | |
| 91 | R | A | -0.7865 | |
| 92 | S | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | R | A | -1.1235 | |
| 97 | F | A | 0.0000 | |
| 98 | F | A | -1.7218 | |
| 99 | T | A | 0.0000 | |
| 100 | T | A | -1.9640 | |
| 101 | R | A | -2.8521 | |
| 102 | Q | A | -2.6162 | |
| 103 | R | A | -2.2308 | |
| 104 | E | A | -1.9322 | |
| 105 | F | A | 0.0000 | |
| 106 | F | A | -0.3961 | |
| 107 | H | A | -0.4429 | |
| 108 | H | A | -0.6669 | |
| 109 | M | A | 0.0000 | |
| 110 | T | A | -0.7750 | |
| 111 | S | A | -0.5666 | |
| 112 | W | A | -0.1081 | |
| 113 | P | A | -0.4874 | |
| 114 | L | A | -1.2620 | |
| 115 | K | A | -2.6462 | |
| 116 | Q | A | -2.8370 | |
| 117 | E | A | -2.5784 | |
| 118 | Y | A | -1.0194 | |
| 119 | A | A | -1.1339 | |
| 120 | I | A | -1.1655 | |
| 121 | E | A | -2.1132 | |
| 122 | V | A | 0.0000 | |
| 123 | A | A | -0.6604 | |
| 124 | S | A | 0.0000 | |
| 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 | -1.0570 | |
| 132 | G | A | 0.0000 | |
| 133 | R | A | -0.9942 | |
| 134 | A | A | 0.0000 | |
| 135 | G | A | -0.6808 | |
| 136 | A | A | -0.2116 | |
| 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 | -0.0027 | |
| 148 | P | A | -0.0166 | |
| 149 | I | A | -0.2526 | |
| 150 | S | A | -0.3932 | |
| 151 | H | A | -0.7198 | |
| 152 | A | A | 0.0000 | |
| 153 | R | A | -1.1690 | |
| 154 | L | A | 0.0000 | |
| 155 | T | A | -1.1438 | |
| 156 | N | A | -1.8172 | |
| 157 | V | A | -1.6557 | |
| 158 | R | A | -2.0100 | |
| 159 | Y | A | 0.0000 | |
| 160 | P | A | -0.7394 | |
| 161 | T | A | -0.2922 | |
| 162 | L | A | 0.0000 | |
| 163 | Q | A | -0.8463 | |
| 164 | L | A | 0.7141 | |
| 165 | E | A | -0.1289 | |
| 166 | A | A | -0.3895 | |
| 167 | A | A | -0.2098 | |
| 168 | S | A | -0.5144 | |
| 169 | I | A | -0.8964 | |
| 170 | R | A | -1.9745 | |
| 171 | P | A | -1.1842 | |
| 172 | I | A | -0.4890 | |
| 173 | S | A | -0.7078 | |
| 174 | I | A | 0.0000 | |
| 175 | H | A | -0.6837 | |
| 176 | E | A | -1.6322 | |
| 177 | F | A | -0.2945 | |
| 178 | Y | A | -0.1675 | |
| 179 | D | A | -0.3662 | |
| 180 | E | A | -0.6735 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 0.5259 | |
| 183 | S | A | -0.6188 | |
| 184 | D | A | -2.0097 | |
| 185 | N | A | -1.5076 | |
| 186 | L | A | 0.1132 | |
| 187 | P | A | -0.4034 | |
| 188 | K | A | -1.0041 | |
| 189 | E | A | -1.7158 | |
| 190 | W | A | 0.0000 | |
| 191 | T | A | -0.9125 | |
| 192 | N | A | 0.0000 | |
| 193 | T | A | -0.9404 | |
| 194 | G | A | 0.0000 | |
| 195 | S | A | -0.6120 | |
| 196 | Y | A | 0.0000 | |
| 197 | T | A | -0.6019 | |
| 198 | K | A | 0.0000 | |
| 199 | T | A | -1.2514 | |
| 200 | E | A | -1.4847 | |
| 201 | S | A | -1.2814 | |
| 202 | A | A | 0.0000 | |
| 203 | S | A | -0.5126 | |
| 204 | W | A | 0.0000 | |
| 205 | S | A | -0.6981 | |
| 206 | L | A | -0.5568 | |
| 207 | T | A | -0.6155 | |
| 208 | A | A | -0.8496 | |
| 209 | G | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | E | A | 0.0000 | |
| 212 | Y | A | -0.4835 | |
| 213 | H | A | -0.3879 | |
| 214 | A | A | -0.2742 | |
| 215 | T | A | -0.6853 | |
| 216 | V | A | 0.0000 | |
| 217 | S | A | -0.8587 | |
| 218 | V | A | 0.0000 | |
| 219 | S | A | -0.6372 | |
| 220 | A | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.2526 | |
| 223 | P | A | 0.0000 | |
| 224 | A | A | -0.0340 | |
| 225 | I | A | 0.0000 | |
| 226 | A | A | -0.9593 | |
| 227 | E | A | -1.6935 | |
| 228 | V | A | 0.1445 | |
| 229 | S | A | -0.5044 | |
| 230 | G | A | -1.3044 | |
| 231 | E | A | -1.9078 | |
| 232 | F | A | -1.2497 | |
| 233 | G | A | -0.8273 | |
| 234 | W | A | 0.0000 | |
| 235 | Q | A | -0.9209 | |
| 236 | V | A | 0.5397 | |
| 237 | S | A | 0.2243 | |
| 238 | T | A | -0.0338 | mutated: VT238A |
| 239 | S | A | -0.2090 | |
| 240 | G | A | -0.2180 | |
| 241 | T | A | -0.4402 | |
| 242 | Y | A | -0.5843 | |
| 243 | E | A | -1.7673 | |
| 244 | T | A | -0.9401 | |
| 245 | T | A | -1.3672 | |
| 246 | W | A | 0.0000 | |
| 247 | E | A | -3.1467 | |
| 248 | E | A | -3.7138 | |
| 249 | S | A | 0.0000 | |
| 250 | E | A | -1.7773 | |
| 251 | T | A | -0.9772 | |
| 252 | Y | A | -0.5211 | |
| 253 | G | A | -0.5676 | |
| 254 | W | A | 0.0000 | |
| 255 | S | A | -1.0832 | |
| 256 | R | A | -1.0610 | |
| 257 | G | A | -0.9869 | |
| 258 | G | A | -0.6934 | |
| 259 | V | A | -0.1244 | |
| 260 | I | A | 0.0000 | |
| 261 | P | A | -0.8063 | |
| 262 | P | A | -0.8574 | |
| 263 | R | A | -1.4007 | |
| 264 | T | A | -1.2211 | |
| 265 | W | A | -0.7434 | |
| 266 | L | A | 0.0000 | |
| 267 | S | A | -1.0162 | |
| 268 | F | A | 0.0000 | |
| 269 | I | A | -0.8647 | |
| 270 | V | A | 0.0000 | |
| 271 | T | A | -0.6075 | |
| 272 | T | A | 0.0000 | |
| 273 | R | A | -1.1112 | |
| 274 | R | A | -1.1551 | |
| 275 | G | A | 0.0000 | |
| 276 | S | A | -0.5598 | |
| 277 | L | A | 0.0000 | |
| 278 | S | A | -0.4397 | |
| 279 | V | A | 0.0000 | |
| 280 | P | A | -1.1610 | |
| 281 | Y | A | 0.0000 | |
| 282 | E | A | -2.5083 | |
| 283 | G | A | -1.7904 | |
| 284 | T | A | -1.1237 | |
| 285 | M | A | 0.0000 | |
| 286 | E | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | V | A | -0.9041 | |
| 289 | L | A | 0.0000 | |
| 290 | S | A | -0.6068 | |
| 291 | T | A | -0.6040 | |
| 292 | G | A | -0.9812 | |
| 293 | A | A | -0.9388 | |
| 294 | R | A | -1.7264 | |
| 295 | F | A | -0.9594 | |
| 296 | S | A | -0.9550 | |
| 297 | Y | A | 0.0000 | |
| 298 | A | A | -0.9949 | |
| 299 | L | A | 0.0000 | |
| 300 | K | A | -2.3931 | |
| 301 | G | A | -1.2402 | |
| 302 | Q | A | -0.9303 | |
| 303 | Y | A | 0.0000 | |
| 304 | A | A | -0.2461 | |
| 305 | G | A | -0.2260 | |
| 306 | V | A | -0.2176 | |
| 307 | A | A | 0.0000 | |
| 308 | Y | A | 0.0000 | |
| 309 | T | A | 0.0000 | |
| 310 | R | A | -0.9919 | |
| 311 | V | A | 0.0000 | |
| 312 | E | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | R | A | -1.3215 | |
| 315 | T | A | -1.3635 | |
| 316 | Q | A | -1.9336 | |
| 317 | E | A | -2.2803 | |
| 318 | G | A | -1.4762 | |
| 319 | S | A | -1.1443 | |
| 320 | L | A | -0.7764 | |
| 321 | D | A | -1.7189 | |
| 322 | A | A | -1.2793 | |
| 323 | A | A | -1.2481 | |
| 324 | S | A | -1.7505 | |
| 325 | H | A | -2.3459 | |
| 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 | 1.3056 | |
| 332 | L | A | 0.9988 | |
| 333 | R | A | -1.1317 | |
| 334 | S | A | -0.9484 | |
| 335 | N | A | -1.2852 | |
| 336 | T | A | -0.6093 | mutated: VT336A |
| 337 | T | A | -0.9584 | mutated: VT337A |
| 338 | G | A | -1.3389 | |
| 339 | T | A | -1.7018 | |
| 340 | K | A | -2.5656 | |
| 341 | R | A | -2.5874 | |
| 342 | S | A | -1.0763 | |
| 343 | Y | A | 0.0426 | |
| 344 | G | A | -0.6483 | |
| 345 | S | A | -0.4569 | |
| 346 | T | A | -0.6151 | mutated: IT346A |
| 347 | D | A | -1.1642 | |
| 348 | S | A | -1.1510 | |
| 349 | N | A | -1.7823 | |
| 350 | I | A | -1.2647 | |
| 351 | Q | A | -1.4617 | |
| 352 | T | A | -0.7831 | mutated: VT352A |
| 353 | T | A | -0.5832 | mutated: VT353A |
| 354 | S | A | -1.0516 | |
| 355 | S | A | -2.0680 | |
| 356 | R | A | -3.8980 | |
| 357 | R | A | -4.5739 | |
| 358 | R | A | -4.1234 | |
| 359 | S | A | -2.8312 | |
| 360 | S | A | -2.3822 | |
| 361 | D | A | -2.7955 | |
| 362 | H | A | -2.0494 | |
| 363 | A | A | -1.1438 | |
| 364 | A | A | -1.1823 | |
| 365 | P | A | -1.1211 | |
| 366 | H | A | -1.2130 | |
| 367 | R | A | -1.0841 | |
| 368 | L | A | 1.2428 | |
| 369 | L | A | 1.7913 | |
| 370 | L | A | 1.4259 | |
| 371 | Q | A | -0.6756 | |
| 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 | -2.1174 | |
| 379 | T | A | -1.1460 | |
| 380 | A | A | -0.6696 | |
| 381 | D | A | -1.0720 | |
| 382 | I | A | 0.7417 | |
| 383 | N | A | -0.6314 | |
| 384 | E | A | -1.4652 | |
| 385 | L | A | -0.4749 | |
| 386 | H | A | -1.2418 | |
| 387 | L | A | -0.7956 | |
| 388 | D | A | -2.0312 | |
| 389 | P | A | -1.6341 | |
| 390 | N | A | -1.7697 |
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