| Chain sequence(s) |
A: MLSRAVCGTSRQLAPALGYLGSRQPARALLPRRMGHRTLASTPALWASIPCPRSELRLDLVLPSGQSFRWREQSPAHWSGVLADQVWTLTQTEEQLHCTVYRGDKSQASRPTPDELEAVRKYFQLDVTLAQLYHHWGSVDSHFQEVAQKFQGVRLLRQDPIECLFSFICSSNNNIARITGMVERLCQAFGPRLIQLDDVTYHGFPSLQALAGPEVEAHLRKLGLGYRARYVSASARAILEEQGGLAWLQQLRESSYEEAHKALCILPGVGTKVADCICLMALDKPQAVPVDVHMWHIAQRDYSWHPTTSQAKGPSPQTNKELGNFFRSLWGPYAGWAQAVLFSADLRQSRHAQEPYPYDVPDYAHGLASTLTRWAHYNALIRAF
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LT371A,LS367A,IT265A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.48723 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] (00:00:01)
[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 (00:00:01)
[INFO] FoldX: Building mutant model (00:02:12)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:21)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:17)
[INFO] Main: Simulation completed successfully. (00:04:20)
|
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 | 1.7486 | |
| 2 | L | A | 1.5170 | |
| 3 | S | A | -0.0800 | |
| 4 | R | A | -1.1690 | |
| 5 | A | A | 0.1418 | |
| 6 | V | A | 1.6431 | |
| 7 | C | A | 1.3606 | |
| 8 | G | A | -0.0338 | |
| 9 | T | A | -0.6968 | |
| 10 | S | A | -1.3816 | |
| 11 | R | A | -2.2029 | |
| 12 | Q | A | -1.4106 | |
| 13 | L | A | 0.4548 | |
| 14 | A | A | 0.4021 | |
| 15 | P | A | 0.3622 | |
| 16 | A | A | 0.9244 | |
| 17 | L | A | 1.8472 | |
| 18 | G | A | 1.2654 | |
| 19 | Y | A | 2.0878 | |
| 20 | L | A | 1.7164 | |
| 21 | G | A | -0.1620 | |
| 22 | S | A | -1.1107 | |
| 23 | R | A | -2.5035 | |
| 24 | Q | A | -2.6307 | |
| 25 | P | A | -1.8621 | |
| 26 | A | A | -1.3278 | |
| 27 | R | A | -1.3879 | |
| 28 | A | A | 0.3008 | |
| 29 | L | A | 1.4106 | |
| 30 | L | A | 1.1265 | |
| 31 | P | A | -0.4173 | |
| 32 | R | A | -2.0927 | |
| 33 | R | A | -2.9091 | |
| 34 | M | A | -1.8633 | |
| 35 | G | A | -1.2980 | |
| 36 | H | A | -0.8085 | |
| 37 | R | A | 0.0000 | |
| 38 | T | A | -0.0843 | |
| 39 | L | A | 0.2187 | |
| 40 | A | A | 0.0395 | |
| 41 | S | A | -0.1517 | |
| 42 | T | A | -0.0684 | |
| 43 | P | A | -0.3068 | |
| 44 | A | A | -0.3416 | |
| 45 | L | A | -0.5923 | |
| 46 | W | A | 0.0000 | |
| 47 | A | A | -0.6177 | |
| 48 | S | A | -0.7555 | |
| 49 | I | A | 0.0000 | |
| 50 | P | A | -1.2352 | |
| 51 | C | A | 0.0000 | |
| 52 | P | A | -2.2852 | |
| 53 | R | A | -2.3278 | |
| 54 | S | A | -1.3632 | |
| 55 | E | A | -1.0655 | |
| 56 | L | A | 0.0000 | |
| 57 | R | A | -1.2365 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -0.8346 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | P | A | -0.5218 | |
| 64 | S | A | -0.0876 | |
| 65 | G | A | 0.0071 | |
| 66 | Q | A | 0.0000 | |
| 67 | S | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | R | A | -0.6332 | |
| 70 | W | A | 0.0000 | |
| 71 | R | A | -1.8766 | |
| 72 | E | A | -2.2432 | |
| 73 | Q | A | -1.4510 | |
| 74 | S | A | -0.9902 | |
| 75 | P | A | -0.7196 | |
| 76 | A | A | -0.7349 | |
| 77 | H | A | -0.9305 | |
| 78 | W | A | 0.0000 | |
| 79 | S | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | A | A | -1.1243 | |
| 84 | D | A | -2.0722 | |
| 85 | Q | A | -1.1963 | |
| 86 | V | A | 0.0000 | |
| 87 | W | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | T | A | 0.0000 | |
| 91 | Q | A | -1.3381 | |
| 92 | T | A | -1.9149 | |
| 93 | E | A | -3.2638 | |
| 94 | E | A | -3.3978 | |
| 95 | Q | A | -2.3575 | |
| 96 | L | A | 0.0000 | |
| 97 | H | A | 0.0000 | |
| 98 | C | A | 0.0000 | |
| 99 | T | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | R | A | -1.5335 | |
| 103 | G | A | -1.8892 | |
| 104 | D | A | -2.9169 | |
| 105 | K | A | -2.9565 | |
| 106 | S | A | -2.1617 | |
| 107 | Q | A | -2.0067 | |
| 108 | A | A | -1.4462 | |
| 109 | S | A | -1.2816 | |
| 110 | R | A | -1.8709 | |
| 111 | P | A | 0.0000 | |
| 112 | T | A | -1.4387 | |
| 113 | P | A | -1.7222 | |
| 114 | D | A | -2.6002 | |
| 115 | E | A | -1.9131 | |
| 116 | L | A | -1.9917 | |
| 117 | E | A | -2.9458 | |
| 118 | A | A | -2.0774 | |
| 119 | V | A | 0.0000 | |
| 120 | R | A | -2.9422 | |
| 121 | K | A | -2.9916 | |
| 122 | Y | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | Q | A | -1.6831 | |
| 125 | L | A | -1.5677 | |
| 126 | D | A | -2.0563 | |
| 127 | V | A | -0.8650 | |
| 128 | T | A | -0.7244 | |
| 129 | L | A | 0.0000 | |
| 130 | A | A | -0.9744 | |
| 131 | Q | A | -1.5769 | |
| 132 | L | A | -0.8134 | |
| 133 | Y | A | 0.0000 | |
| 134 | H | A | -1.6209 | |
| 135 | H | A | -1.1161 | |
| 136 | W | A | 0.0000 | |
| 137 | G | A | -1.2059 | |
| 138 | S | A | -0.2626 | |
| 139 | V | A | 0.7295 | |
| 140 | D | A | 0.0000 | |
| 141 | S | A | -0.7798 | |
| 142 | H | A | -1.0135 | |
| 143 | F | A | 0.0000 | |
| 144 | Q | A | -2.2647 | |
| 145 | E | A | -2.8366 | |
| 146 | V | A | -1.8809 | |
| 147 | A | A | 0.0000 | |
| 148 | Q | A | -2.7442 | |
| 149 | K | A | -2.6574 | |
| 150 | F | A | -1.5168 | |
| 151 | Q | A | -1.4970 | |
| 152 | G | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | R | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -1.8490 | |
| 158 | Q | A | 0.0000 | |
| 159 | D | A | -1.8770 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | E | A | -0.6608 | |
| 163 | C | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | F | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | S | A | -0.7701 | |
| 171 | S | A | -0.7775 | |
| 172 | N | A | -1.1798 | |
| 173 | N | A | -1.5074 | |
| 174 | N | A | -1.6288 | |
| 175 | I | A | -0.4137 | |
| 176 | A | A | -0.8716 | |
| 177 | R | A | -2.1517 | |
| 178 | I | A | 0.0000 | |
| 179 | T | A | -1.0680 | |
| 180 | G | A | -1.1482 | |
| 181 | M | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | -1.7820 | |
| 184 | R | A | -1.6329 | |
| 185 | L | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | Q | A | -2.0072 | |
| 188 | A | A | -1.0275 | |
| 189 | F | A | -0.5728 | |
| 190 | G | A | -0.9049 | |
| 191 | P | A | -1.4377 | |
| 192 | R | A | -2.3956 | |
| 193 | L | A | -1.4092 | |
| 194 | I | A | 0.0000 | |
| 195 | Q | A | -2.0583 | |
| 196 | L | A | 0.0000 | |
| 197 | D | A | -2.0191 | |
| 198 | D | A | -2.2906 | |
| 199 | V | A | -1.0954 | |
| 200 | T | A | -1.3907 | |
| 201 | Y | A | 0.0000 | |
| 202 | H | A | -1.7565 | |
| 203 | G | A | 0.0000 | |
| 204 | F | A | -0.8303 | |
| 205 | P | A | 0.0000 | |
| 206 | S | A | -0.3377 | |
| 207 | L | A | 0.0000 | |
| 208 | Q | A | -1.2468 | |
| 209 | A | A | -0.5731 | |
| 210 | L | A | 0.0000 | |
| 211 | A | A | -1.1399 | |
| 212 | G | A | -1.0534 | |
| 213 | P | A | -1.4136 | |
| 214 | E | A | -2.2243 | |
| 215 | V | A | 0.0000 | |
| 216 | E | A | -2.2031 | |
| 217 | A | A | -2.3329 | |
| 218 | H | A | -2.2606 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -3.0775 | |
| 221 | K | A | -2.8719 | |
| 222 | L | A | -1.7721 | |
| 223 | G | A | -1.8198 | |
| 224 | L | A | 0.0000 | |
| 225 | G | A | -0.9267 | |
| 226 | Y | A | 0.3270 | |
| 227 | R | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | R | A | -1.4352 | |
| 230 | Y | A | -0.3548 | |
| 231 | V | A | 0.0000 | |
| 232 | S | A | 0.0000 | |
| 233 | A | A | -0.5858 | |
| 234 | S | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | R | A | -1.5016 | |
| 237 | A | A | -1.5189 | |
| 238 | I | A | 0.0000 | |
| 239 | L | A | -1.2928 | |
| 240 | E | A | -2.8317 | |
| 241 | E | A | -2.9636 | |
| 242 | Q | A | -1.6713 | |
| 243 | G | A | -1.1423 | |
| 244 | G | A | -0.6117 | |
| 245 | L | A | 0.6333 | |
| 246 | A | A | -0.1258 | |
| 247 | W | A | -0.3767 | |
| 248 | L | A | 0.0000 | |
| 249 | Q | A | -1.7198 | |
| 250 | Q | A | -2.0969 | |
| 251 | L | A | 0.0000 | |
| 252 | R | A | -2.0745 | |
| 253 | E | A | -2.8358 | |
| 254 | S | A | -2.2929 | |
| 255 | S | A | -2.0296 | |
| 256 | Y | A | -2.1256 | |
| 257 | E | A | -3.1923 | |
| 258 | E | A | -3.5284 | |
| 259 | A | A | 0.0000 | |
| 260 | H | A | -2.1790 | |
| 261 | K | A | -2.8410 | |
| 262 | A | A | -1.5710 | |
| 263 | L | A | 0.0000 | |
| 264 | C | A | -0.5622 | |
| 265 | T | A | -0.4096 | mutated: IT265A |
| 266 | L | A | 0.0000 | |
| 267 | P | A | -0.3348 | |
| 268 | G | A | -0.1872 | |
| 269 | V | A | 0.0000 | |
| 270 | G | A | -0.7728 | |
| 271 | T | A | -1.0634 | |
| 272 | K | A | -1.0469 | |
| 273 | V | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | D | A | 0.0000 | |
| 276 | C | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | C | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | M | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | D | A | -1.4113 | |
| 284 | K | A | 0.0000 | |
| 285 | P | A | -0.4097 | |
| 286 | Q | A | -0.7067 | |
| 287 | A | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | D | A | -0.6007 | |
| 292 | V | A | -0.0969 | |
| 293 | H | A | -0.5979 | |
| 294 | M | A | 0.0000 | |
| 295 | W | A | 0.0000 | |
| 296 | H | A | -1.9195 | |
| 297 | I | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | Q | A | -2.3043 | |
| 300 | R | A | -2.7217 | |
| 301 | D | A | -1.7500 | |
| 302 | Y | A | -1.0475 | |
| 303 | S | A | -1.3184 | |
| 304 | W | A | -1.0329 | |
| 305 | H | A | -1.3438 | |
| 306 | P | A | 0.0000 | |
| 307 | T | A | -0.7613 | |
| 308 | T | A | -0.6926 | |
| 309 | S | A | -1.4000 | |
| 310 | Q | A | -1.8163 | |
| 311 | A | A | -1.7538 | |
| 312 | K | A | -2.2813 | |
| 313 | G | A | -1.3865 | |
| 314 | P | A | -0.7094 | |
| 315 | S | A | -0.9997 | |
| 316 | P | A | -1.5375 | |
| 317 | Q | A | -2.2311 | |
| 318 | T | A | 0.0000 | |
| 319 | N | A | -1.8981 | |
| 320 | K | A | -2.7691 | |
| 321 | E | A | -1.9813 | |
| 322 | L | A | 0.0000 | |
| 323 | G | A | 0.0000 | |
| 324 | N | A | -1.8472 | |
| 325 | F | A | -0.6497 | |
| 326 | F | A | 0.0000 | |
| 327 | R | A | -0.8855 | |
| 328 | S | A | -0.5771 | |
| 329 | L | A | 0.1961 | |
| 330 | W | A | 0.0000 | |
| 331 | G | A | -0.3493 | |
| 332 | P | A | -0.3707 | |
| 333 | Y | A | 0.0100 | |
| 334 | A | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | W | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | Q | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | F | A | 0.1037 | |
| 343 | S | A | 0.0000 | |
| 344 | A | A | -0.6419 | |
| 345 | D | A | -1.0603 | |
| 346 | L | A | -1.1967 | |
| 347 | R | A | -2.1740 | |
| 348 | Q | A | -2.6695 | |
| 349 | S | A | -2.5625 | |
| 350 | R | A | -3.7889 | |
| 351 | H | A | -3.2964 | |
| 352 | A | A | -2.4476 | |
| 353 | Q | A | -3.0627 | |
| 354 | E | A | -2.9598 | |
| 355 | P | A | -1.1269 | |
| 356 | Y | A | 0.4373 | |
| 357 | P | A | 0.4811 | |
| 358 | Y | A | 1.1726 | |
| 359 | D | A | -0.3535 | |
| 360 | V | A | 0.9545 | |
| 361 | P | A | -0.3709 | |
| 362 | D | A | -1.1508 | |
| 363 | Y | A | 0.3416 | |
| 364 | A | A | -0.3260 | |
| 365 | H | A | -1.1350 | |
| 366 | G | A | -0.9335 | |
| 367 | S | A | -0.7154 | mutated: LS367A |
| 368 | A | A | -0.6496 | |
| 369 | S | A | -0.6563 | |
| 370 | T | A | -0.5951 | |
| 371 | T | A | -0.4874 | mutated: LT371A |
| 372 | T | A | -0.7062 | |
| 373 | R | A | -1.3788 | |
| 374 | W | A | 0.3430 | |
| 375 | A | A | -0.0501 | |
| 376 | H | A | -0.4669 | |
| 377 | Y | A | 0.7363 | |
| 378 | N | A | 0.0821 | |
| 379 | A | A | 0.1930 | |
| 380 | L | A | 0.6655 | |
| 381 | I | A | 0.3388 | |
| 382 | R | A | -0.8411 | |
| 383 | A | A | 0.3706 | |
| 384 | F | A | 1.4191 |
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