| Chain sequence(s) |
A: MSTIYTPVHIIGSSSGGTTFNYDAARSGGVLRRIGVWAGEWQLRGIRVWFTHTANPQTFGTANVGSYKEFEFTDGERISRLSLWGNGAGTRSGGIRFFTTRQREFFHHMTSWPLKQEYAIEVASGLCVGLRGRAGADIDALGLTFLLPISHARLTNVRYPTLQLEAASIRPISIHEFYDENLSDNLPKEWTNTGSYTKTESASWSLTAGIEYHATVSVSAGIPAIAEVSGEFGWQVSTSGTYETTWEESETYGWSRGGVIPPRTWLSFIVTTRRGSLSVPYEGTMEIVLSTGARFSYALKGQYAGVAYTRVETRTQEGSLDAASHEGTTNILRSNTTGTKRSYGSTDSNIQTTSSRRRSSDHAAPHRLLLQHNGADGNTADINELHLDPN
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LQ370A,LQ369A,IT331A,LE368A,LQ332A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.61602 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 (00:01:03)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:26)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:32)
[INFO] Main: Simulation completed successfully. (00:02:35)
|
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 | 0.7926 | |
| 2 | S | A | -0.0827 | |
| 3 | T | A | -0.1117 | |
| 4 | I | A | 0.0000 | |
| 5 | Y | A | 0.1550 | |
| 6 | T | A | 0.0000 | |
| 7 | P | A | -0.4095 | |
| 8 | V | A | -0.2205 | |
| 9 | H | A | -0.3852 | |
| 10 | I | A | 0.5380 | |
| 11 | I | A | 0.0000 | |
| 12 | G | A | -0.5120 | |
| 13 | S | A | -0.5549 | |
| 14 | S | A | -0.4858 | |
| 15 | S | A | -0.7332 | |
| 16 | G | A | -0.8302 | |
| 17 | G | A | -0.9257 | |
| 18 | T | A | -0.5844 | |
| 19 | T | A | -0.8533 | |
| 20 | F | A | 0.0000 | |
| 21 | N | A | -1.5819 | |
| 22 | Y | A | -0.7964 | |
| 23 | D | A | -1.0526 | |
| 24 | A | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | R | A | -2.0126 | |
| 27 | S | A | -1.3064 | |
| 28 | G | A | 0.0000 | |
| 29 | G | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | R | A | -2.0932 | |
| 33 | R | A | -2.0035 | |
| 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 | -1.0304 | |
| 40 | E | A | -1.8601 | |
| 41 | W | A | -0.6528 | |
| 42 | Q | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | R | A | -0.7360 | |
| 45 | G | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | R | A | -0.7892 | |
| 48 | V | A | 0.0000 | |
| 49 | W | A | -1.1406 | |
| 50 | F | A | 0.0000 | |
| 51 | T | A | 0.0000 | |
| 52 | H | A | -0.7700 | |
| 53 | T | A | -0.7213 | |
| 54 | A | A | -0.7360 | |
| 55 | N | A | -1.4198 | |
| 56 | P | A | -0.9950 | |
| 57 | Q | A | -0.7972 | |
| 58 | T | A | -0.5216 | |
| 59 | F | A | -0.2748 | |
| 60 | G | A | -0.3420 | |
| 61 | T | A | -0.3885 | |
| 62 | A | A | -0.4669 | |
| 63 | N | A | -0.8951 | |
| 64 | V | A | 0.0216 | |
| 65 | G | A | -0.7740 | |
| 66 | S | A | -0.6172 | |
| 67 | Y | A | -0.2234 | |
| 68 | K | A | -0.9632 | |
| 69 | E | A | -1.5646 | |
| 70 | F | A | 0.0000 | |
| 71 | E | A | -2.5302 | |
| 72 | F | A | -1.9714 | |
| 73 | T | A | -1.6979 | |
| 74 | D | A | -2.1681 | |
| 75 | G | A | -1.2361 | |
| 76 | E | A | 0.0000 | |
| 77 | R | A | -1.3437 | |
| 78 | I | A | 0.0000 | |
| 79 | S | A | -1.9360 | |
| 80 | R | A | -2.4057 | |
| 81 | L | A | 0.0000 | |
| 82 | S | A | -1.1319 | |
| 83 | L | A | 0.0000 | |
| 84 | W | A | 0.0000 | |
| 85 | G | A | -1.0676 | |
| 86 | N | A | 0.0000 | |
| 87 | G | A | -1.2085 | |
| 88 | A | A | -0.5490 | |
| 89 | G | A | -0.7724 | |
| 90 | T | A | -0.5987 | |
| 91 | R | A | -0.7844 | |
| 92 | S | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | R | A | -1.1241 | |
| 97 | F | A | 0.0000 | |
| 98 | F | A | -1.7254 | |
| 99 | T | A | 0.0000 | |
| 100 | T | A | -1.9653 | |
| 101 | R | A | -2.8532 | |
| 102 | Q | A | -2.6173 | |
| 103 | R | A | -2.2319 | |
| 104 | E | A | -1.9336 | |
| 105 | F | A | 0.0000 | |
| 106 | F | A | -0.3938 | |
| 107 | H | A | -0.4392 | |
| 108 | H | A | -0.6647 | |
| 109 | M | A | 0.0000 | |
| 110 | T | A | -0.7748 | |
| 111 | S | A | -0.5664 | |
| 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 | -1.0188 | |
| 119 | A | A | -1.1339 | |
| 120 | I | A | -1.1654 | |
| 121 | E | A | -2.1139 | |
| 122 | V | A | 0.0000 | |
| 123 | A | A | -0.6602 | |
| 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 | -1.0640 | |
| 132 | G | A | 0.0000 | |
| 133 | R | A | -0.9945 | |
| 134 | A | A | 0.0000 | |
| 135 | G | A | -0.6785 | |
| 136 | A | A | -0.2100 | |
| 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 | -0.0021 | |
| 148 | P | A | -0.0167 | |
| 149 | I | A | -0.2535 | |
| 150 | S | A | -0.3942 | |
| 151 | H | A | -0.7199 | |
| 152 | A | A | 0.0000 | |
| 153 | R | A | -1.1619 | |
| 154 | L | A | 0.0000 | |
| 155 | T | A | -1.1430 | |
| 156 | N | A | -1.8168 | |
| 157 | V | A | -1.6556 | |
| 158 | R | A | -2.0092 | |
| 159 | Y | A | 0.0000 | |
| 160 | P | A | -0.7373 | |
| 161 | T | A | -0.2911 | |
| 162 | L | A | 0.0000 | |
| 163 | Q | A | -0.8461 | |
| 164 | L | A | 0.7142 | |
| 165 | E | A | -0.1289 | |
| 166 | A | A | -0.3869 | |
| 167 | A | A | -0.2084 | |
| 168 | S | A | -0.5130 | |
| 169 | I | A | -0.8924 | |
| 170 | R | A | -1.9720 | |
| 171 | P | A | -1.1853 | |
| 172 | I | A | -0.4916 | |
| 173 | S | A | -0.7107 | |
| 174 | I | A | 0.0000 | |
| 175 | H | A | -0.6848 | |
| 176 | E | A | -1.6359 | |
| 177 | F | A | -0.3017 | |
| 178 | Y | A | -0.1755 | |
| 179 | D | A | -0.3501 | |
| 180 | E | A | -0.6335 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 0.5388 | |
| 183 | S | A | -0.6099 | |
| 184 | D | A | -2.0093 | |
| 185 | N | A | -1.5052 | |
| 186 | L | A | 0.1182 | |
| 187 | P | A | -0.3967 | |
| 188 | K | A | -0.9818 | |
| 189 | E | A | -1.7113 | |
| 190 | W | A | 0.0000 | |
| 191 | T | A | -0.9139 | |
| 192 | N | A | 0.0000 | |
| 193 | T | A | -0.9417 | |
| 194 | G | A | 0.0000 | |
| 195 | S | A | -0.6122 | |
| 196 | Y | A | 0.0000 | |
| 197 | T | A | -0.6015 | |
| 198 | K | A | 0.0000 | |
| 199 | T | A | -1.2518 | |
| 200 | E | A | -1.4835 | |
| 201 | S | A | -1.2838 | |
| 202 | A | A | 0.0000 | |
| 203 | S | A | -0.5379 | |
| 204 | W | A | 0.0000 | |
| 205 | S | A | -1.5046 | |
| 206 | L | A | -1.0754 | |
| 207 | T | A | -1.0693 | |
| 208 | A | A | -0.8365 | |
| 209 | G | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | E | A | 0.0000 | |
| 212 | Y | A | -0.4796 | |
| 213 | H | A | -0.3848 | |
| 214 | A | A | -0.2740 | |
| 215 | T | A | -0.6804 | |
| 216 | V | A | 0.0000 | |
| 217 | S | A | -0.8447 | |
| 218 | V | A | 0.0000 | |
| 219 | S | A | -0.6315 | |
| 220 | A | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.2529 | |
| 223 | P | A | 0.0000 | |
| 224 | A | A | -0.0326 | |
| 225 | I | A | 0.0000 | |
| 226 | A | A | -0.9572 | |
| 227 | E | A | -1.6889 | |
| 228 | V | A | 0.1473 | |
| 229 | S | A | -0.5028 | |
| 230 | G | A | -1.3018 | |
| 231 | E | A | -1.9024 | |
| 232 | F | A | -1.2394 | |
| 233 | G | A | -0.8219 | |
| 234 | W | A | 0.0000 | |
| 235 | Q | A | -0.9197 | |
| 236 | V | A | 0.5397 | |
| 237 | S | A | 0.2243 | |
| 238 | T | A | -0.0338 | |
| 239 | S | A | -0.2088 | |
| 240 | G | A | -0.2174 | |
| 241 | T | A | -0.4322 | |
| 242 | Y | A | -0.5663 | |
| 243 | E | A | -1.7352 | |
| 244 | T | A | -0.9238 | |
| 245 | T | A | -1.3571 | |
| 246 | W | A | 0.0000 | |
| 247 | E | A | -3.1504 | |
| 248 | E | A | -3.7199 | |
| 249 | S | A | 0.0000 | |
| 250 | E | A | -1.7748 | |
| 251 | T | A | -0.9758 | |
| 252 | Y | A | -0.5190 | |
| 253 | G | A | -0.5658 | |
| 254 | W | A | 0.0000 | |
| 255 | S | A | -1.0822 | |
| 256 | R | A | -1.0600 | |
| 257 | G | A | -0.9893 | |
| 258 | G | A | -0.6962 | |
| 259 | V | A | -0.1297 | |
| 260 | I | A | 0.0000 | |
| 261 | P | A | -0.7988 | |
| 262 | P | A | -0.8496 | |
| 263 | R | A | -1.3952 | |
| 264 | T | A | -1.2111 | |
| 265 | W | A | -0.7331 | |
| 266 | L | A | 0.0000 | |
| 267 | S | A | -1.0147 | |
| 268 | F | A | 0.0000 | |
| 269 | I | A | -0.8661 | |
| 270 | V | A | 0.0000 | |
| 271 | T | A | -0.6100 | |
| 272 | T | A | 0.0000 | |
| 273 | R | A | -1.1116 | |
| 274 | R | A | -1.1466 | |
| 275 | G | A | 0.0000 | |
| 276 | S | A | -0.5573 | |
| 277 | L | A | 0.0000 | |
| 278 | S | A | -0.4819 | |
| 279 | V | A | 0.0000 | |
| 280 | P | A | -1.2340 | |
| 281 | Y | A | 0.0000 | |
| 282 | E | A | -2.5336 | |
| 283 | G | A | -1.7900 | |
| 284 | T | A | -1.1236 | |
| 285 | M | A | 0.0000 | |
| 286 | E | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | V | A | -0.9068 | |
| 289 | L | A | 0.0000 | |
| 290 | S | A | -0.6075 | |
| 291 | T | A | -0.6044 | |
| 292 | G | A | -0.9819 | |
| 293 | A | A | -0.9389 | |
| 294 | R | A | -1.7273 | |
| 295 | F | A | -0.9598 | |
| 296 | S | A | -0.9564 | |
| 297 | Y | A | 0.0000 | |
| 298 | A | A | -0.9954 | |
| 299 | L | A | 0.0000 | |
| 300 | K | A | -2.4292 | |
| 301 | G | A | -1.7126 | |
| 302 | Q | A | -1.5944 | |
| 303 | Y | A | 0.0000 | |
| 304 | A | A | -0.2909 | |
| 305 | G | A | -0.2267 | |
| 306 | V | A | -0.2162 | |
| 307 | A | A | 0.0000 | |
| 308 | Y | A | 0.0000 | |
| 309 | T | A | 0.0000 | |
| 310 | R | A | -0.9957 | |
| 311 | V | A | 0.0000 | |
| 312 | E | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | R | A | -1.3142 | |
| 315 | T | A | -1.3585 | |
| 316 | Q | A | -1.9270 | |
| 317 | E | A | -2.2751 | |
| 318 | G | A | -1.4725 | |
| 319 | S | A | -1.1431 | |
| 320 | L | A | -0.7758 | |
| 321 | D | A | -1.7211 | |
| 322 | A | A | -1.2807 | |
| 323 | A | A | -1.2495 | |
| 324 | S | A | -1.7514 | |
| 325 | H | A | -2.3459 | |
| 326 | E | A | -2.5966 | |
| 327 | G | A | -1.8867 | |
| 328 | T | A | -1.3590 | |
| 329 | T | A | -1.3102 | |
| 330 | N | A | -2.1000 | |
| 331 | T | A | -2.1183 | mutated: IT331A |
| 332 | Q | A | -2.7643 | mutated: LQ332A |
| 333 | R | A | -3.0660 | |
| 334 | S | A | -2.2850 | |
| 335 | N | A | -2.1331 | |
| 336 | T | A | -1.4239 | |
| 337 | T | A | -0.9584 | |
| 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 | 0.0437 | |
| 344 | G | A | -0.6449 | |
| 345 | S | A | -0.4540 | |
| 346 | T | A | -0.6093 | |
| 347 | D | A | -1.1587 | |
| 348 | S | A | -1.1473 | |
| 349 | N | A | -1.7781 | |
| 350 | I | A | -1.2577 | |
| 351 | Q | A | -1.4579 | |
| 352 | T | A | -0.7799 | |
| 353 | T | A | -0.5808 | |
| 354 | S | A | -1.0501 | |
| 355 | S | A | -2.0675 | |
| 356 | R | A | -3.8996 | |
| 357 | R | A | -4.5769 | |
| 358 | R | A | -4.1269 | |
| 359 | S | A | -2.8274 | |
| 360 | S | A | -2.3784 | |
| 361 | D | A | -2.7917 | |
| 362 | H | A | -2.0455 | |
| 363 | A | A | -1.1438 | |
| 364 | A | A | -1.1793 | |
| 365 | P | A | -1.5561 | |
| 366 | H | A | -2.5546 | |
| 367 | R | A | -3.8903 | |
| 368 | E | A | -4.2736 | mutated: LE368A |
| 369 | Q | A | -3.9200 | mutated: LQ369A |
| 370 | Q | A | -3.6779 | mutated: LQ370A |
| 371 | Q | A | -3.4664 | |
| 372 | H | A | -2.8637 | |
| 373 | N | A | -2.8564 | |
| 374 | G | A | -2.0814 | |
| 375 | A | A | -1.7323 | |
| 376 | D | A | -2.6043 | |
| 377 | G | A | -2.0312 | |
| 378 | N | A | -2.1223 | |
| 379 | T | A | -1.1553 | |
| 380 | A | A | -0.6855 | |
| 381 | D | A | -1.1051 | |
| 382 | I | A | 0.7241 | |
| 383 | N | A | -0.6464 | |
| 384 | E | A | -1.4724 | |
| 385 | L | A | -0.4772 | |
| 386 | H | A | -1.2446 | |
| 387 | L | A | -0.8001 | |
| 388 | D | A | -2.0334 | |
| 389 | P | A | -1.6353 | |
| 390 | N | A | -1.7703 |
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