| Chain sequence(s) |
A: MADSAQAQKLVYLVTGGCGFLGEHVVRMLLQREPRLGELRVFDQHLGPWLEELKTGPVRVTAIQGDVTQAHEVAAAVAGAHVVIHTAGLVDVFGRASPKTIHEVNVQGTRNVIEACVQTGTRFLVYTSSMEVVGPNTKGHPFYRGNEDTPYEAVHRHPYPCSKALAEWLVLEANGRKVRGGLPLVTCALRPTGIYGEGHQIMRDFYRQGLRLGGWLFRAIPASVEHGRVYVGNVAWMHVLAARELEQRATLMGGQVYFCYDGSPYRSYEDFNMEFLGPCGLRLVGARPLLPYWLLVFLAALNALLQWLLRPLVLYAPLLNPYTLAVANTTFTVSTDKAQRHFGYEPLFSWEDSRTRTILWVQAATGSAQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | EK147A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.19722 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 (00:01:41)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:04)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:36)
[INFO] Main: Simulation completed successfully. (00:03:38)
|
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 | 0.6108 | |
| 2 | A | A | -0.2679 | |
| 3 | D | A | -1.7863 | |
| 4 | S | A | -1.2616 | |
| 5 | A | A | -1.3300 | |
| 6 | Q | A | -2.1494 | |
| 7 | A | A | -1.6816 | |
| 8 | Q | A | -2.3836 | |
| 9 | K | A | -2.6352 | |
| 10 | L | A | 0.0000 | |
| 11 | V | A | -0.8100 | |
| 12 | Y | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | T | A | 0.0000 | |
| 16 | G | A | 0.0000 | |
| 17 | G | A | 0.0000 | |
| 18 | C | A | -0.2161 | |
| 19 | G | A | -0.3016 | |
| 20 | F | A | -0.1579 | |
| 21 | L | A | 0.0000 | |
| 22 | G | A | 0.0000 | |
| 23 | E | A | -0.9527 | |
| 24 | H | A | -0.9309 | |
| 25 | V | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | R | A | -2.1144 | |
| 28 | M | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | L | A | -1.3695 | |
| 31 | Q | A | -2.0215 | |
| 32 | R | A | -1.8982 | |
| 33 | E | A | 0.0000 | |
| 34 | P | A | -1.1170 | |
| 35 | R | A | -1.5592 | |
| 36 | L | A | 0.0000 | |
| 37 | G | A | -1.4277 | |
| 38 | E | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | R | A | -0.3753 | |
| 41 | V | A | 0.0000 | |
| 42 | F | A | 0.0000 | |
| 43 | D | A | 0.0000 | |
| 44 | Q | A | -1.2554 | |
| 45 | H | A | -1.1970 | |
| 46 | L | A | -0.3413 | |
| 47 | G | A | -0.3919 | |
| 48 | P | A | -0.9116 | |
| 49 | W | A | -1.1856 | |
| 50 | L | A | 0.0000 | |
| 51 | E | A | -3.1397 | |
| 52 | E | A | -3.1797 | |
| 53 | L | A | -2.6469 | |
| 54 | K | A | -3.3229 | |
| 55 | T | A | -2.1091 | |
| 56 | G | A | -1.5142 | |
| 57 | P | A | -1.0021 | |
| 58 | V | A | -1.4386 | |
| 59 | R | A | -2.2961 | |
| 60 | V | A | 0.0000 | |
| 61 | T | A | -1.0452 | |
| 62 | A | A | -0.4474 | |
| 63 | I | A | -0.3913 | |
| 64 | Q | A | -1.3792 | |
| 65 | G | A | -1.3882 | |
| 66 | D | A | -1.4317 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -1.2131 | |
| 69 | Q | A | -1.3531 | |
| 70 | A | A | -1.2904 | |
| 71 | H | A | -1.4676 | |
| 72 | E | A | -1.4576 | |
| 73 | V | A | 0.0000 | |
| 74 | A | A | -0.8700 | |
| 75 | A | A | -0.4088 | |
| 76 | A | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.4159 | |
| 79 | G | A | -0.5087 | |
| 80 | A | A | 0.0000 | |
| 81 | H | A | -0.6629 | |
| 82 | V | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | T | A | -0.0762 | |
| 87 | A | A | 0.0000 | |
| 88 | G | A | 0.3074 | |
| 89 | L | A | 0.9852 | |
| 90 | V | A | 1.7914 | |
| 91 | D | A | 0.0000 | |
| 92 | V | A | 0.5939 | |
| 93 | F | A | 0.3603 | |
| 94 | G | A | -0.1653 | |
| 95 | R | A | -1.0793 | |
| 96 | A | A | -0.6219 | |
| 97 | S | A | -1.2907 | |
| 98 | P | A | -1.5265 | |
| 99 | K | A | -2.2188 | |
| 100 | T | A | -1.3663 | |
| 101 | I | A | 0.0000 | |
| 102 | H | A | -1.5041 | |
| 103 | E | A | -1.9607 | |
| 104 | V | A | -0.8514 | |
| 105 | N | A | 0.0000 | |
| 106 | V | A | -0.6132 | |
| 107 | Q | A | -1.5437 | |
| 108 | G | A | 0.0000 | |
| 109 | T | A | 0.0000 | |
| 110 | R | A | -1.5464 | |
| 111 | N | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | E | A | -1.1296 | |
| 115 | A | A | 0.0000 | |
| 116 | C | A | 0.0000 | |
| 117 | V | A | -1.5837 | |
| 118 | Q | A | -2.0907 | |
| 119 | T | A | -1.4182 | |
| 120 | G | A | -1.6759 | |
| 121 | T | A | 0.0000 | |
| 122 | R | A | -0.8372 | |
| 123 | F | A | -0.2568 | |
| 124 | L | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | S | A | 0.0000 | |
| 129 | S | A | 0.0710 | |
| 130 | M | A | 0.0000 | |
| 131 | E | A | -0.1334 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | -0.1933 | |
| 134 | G | A | 0.0000 | |
| 135 | P | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | T | A | -1.3971 | |
| 138 | K | A | -2.3622 | |
| 139 | G | A | -1.7175 | |
| 140 | H | A | -1.8882 | |
| 141 | P | A | -0.7920 | |
| 142 | F | A | 0.0000 | |
| 143 | Y | A | 0.3303 | |
| 144 | R | A | -1.0171 | |
| 145 | G | A | 0.0000 | |
| 146 | N | A | -1.9321 | |
| 147 | K | A | -2.3705 | mutated: EK147A |
| 148 | D | A | -2.4938 | |
| 149 | T | A | -1.6179 | |
| 150 | P | A | -1.2445 | |
| 151 | Y | A | -1.2576 | |
| 152 | E | A | -1.9807 | |
| 153 | A | A | -0.8671 | |
| 154 | V | A | -0.7562 | |
| 155 | H | A | -1.1703 | |
| 156 | R | A | -1.8188 | |
| 157 | H | A | -0.9791 | |
| 158 | P | A | -0.7077 | |
| 159 | Y | A | 0.0000 | |
| 160 | P | A | 0.0000 | |
| 161 | C | A | -0.1541 | |
| 162 | S | A | 0.0000 | |
| 163 | K | A | 0.0000 | |
| 164 | A | A | 0.6738 | |
| 165 | L | A | 0.9644 | |
| 166 | A | A | 0.0000 | |
| 167 | E | A | 0.0000 | |
| 168 | W | A | 0.9286 | |
| 169 | L | A | -0.0409 | |
| 170 | V | A | 0.0000 | |
| 171 | L | A | -0.4611 | |
| 172 | E | A | -1.6428 | |
| 173 | A | A | 0.0000 | |
| 174 | N | A | -1.6665 | |
| 175 | G | A | -1.5549 | |
| 176 | R | A | -2.1087 | |
| 177 | K | A | -2.4975 | |
| 178 | V | A | 0.0000 | |
| 179 | R | A | -2.7444 | |
| 180 | G | A | -1.5777 | |
| 181 | G | A | -1.0915 | |
| 182 | L | A | 0.0166 | |
| 183 | P | A | -0.9539 | |
| 184 | L | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | R | A | -0.3238 | |
| 191 | P | A | 0.0000 | |
| 192 | T | A | 0.0000 | |
| 193 | G | A | 0.0706 | |
| 194 | I | A | 0.3199 | |
| 195 | Y | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | E | A | -0.6564 | |
| 198 | G | A | -0.8380 | |
| 199 | H | A | -1.0664 | |
| 200 | Q | A | -1.7820 | |
| 201 | I | A | -0.9365 | |
| 202 | M | A | 0.0000 | |
| 203 | R | A | -2.4411 | |
| 204 | D | A | -2.4694 | |
| 205 | F | A | -1.2009 | |
| 206 | Y | A | 0.0000 | |
| 207 | R | A | -1.4594 | |
| 208 | Q | A | -1.4384 | |
| 209 | G | A | 0.0000 | |
| 210 | L | A | -0.2319 | |
| 211 | R | A | -1.2804 | |
| 212 | L | A | 0.3499 | |
| 213 | G | A | -0.3662 | |
| 214 | G | A | -0.2328 | |
| 215 | W | A | 0.8591 | |
| 216 | L | A | 1.1348 | |
| 217 | F | A | 2.0158 | |
| 218 | R | A | 0.0000 | |
| 219 | A | A | 0.7378 | |
| 220 | I | A | 0.0000 | |
| 221 | P | A | -0.5115 | |
| 222 | A | A | -0.7984 | |
| 223 | S | A | -0.6708 | |
| 224 | V | A | 0.0000 | |
| 225 | E | A | -0.6390 | |
| 226 | H | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | R | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | Y | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | G | A | 0.0000 | |
| 233 | N | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | W | A | -0.3057 | |
| 237 | M | A | 0.0000 | |
| 238 | H | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | L | A | -0.3986 | |
| 241 | A | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | R | A | -0.8386 | |
| 244 | E | A | -1.1178 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -1.4284 | |
| 247 | Q | A | -1.8859 | |
| 248 | R | A | -1.5440 | |
| 249 | A | A | -0.9209 | |
| 250 | T | A | -0.3825 | |
| 251 | L | A | 0.0264 | |
| 252 | M | A | 0.0000 | |
| 253 | G | A | -0.3826 | |
| 254 | G | A | -0.5546 | |
| 255 | Q | A | -0.4106 | |
| 256 | V | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | Y | A | 0.0000 | |
| 261 | D | A | -0.6928 | |
| 262 | G | A | -0.7393 | |
| 263 | S | A | 0.0000 | |
| 264 | P | A | -0.3297 | |
| 265 | Y | A | -0.4840 | |
| 266 | R | A | -0.8578 | |
| 267 | S | A | 0.0000 | |
| 268 | Y | A | -0.0554 | |
| 269 | E | A | 0.0390 | |
| 270 | D | A | -0.4504 | |
| 271 | F | A | 0.0000 | |
| 272 | N | A | 0.0000 | |
| 273 | M | A | -0.4031 | |
| 274 | E | A | -0.5071 | |
| 275 | F | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | G | A | -0.6044 | |
| 278 | P | A | -0.4541 | |
| 279 | C | A | -0.3502 | |
| 280 | G | A | -0.7787 | |
| 281 | L | A | 0.0000 | |
| 282 | R | A | -0.9101 | |
| 283 | L | A | 0.5209 | |
| 284 | V | A | 1.0930 | |
| 285 | G | A | 0.2122 | |
| 286 | A | A | -0.3763 | |
| 287 | R | A | -1.2633 | |
| 288 | P | A | 0.3742 | |
| 289 | L | A | 1.5757 | |
| 290 | L | A | 1.5504 | |
| 291 | P | A | 1.4338 | |
| 292 | Y | A | 2.6828 | |
| 293 | W | A | 2.8588 | |
| 294 | L | A | 2.4505 | |
| 295 | L | A | 0.0000 | |
| 296 | V | A | 2.8303 | |
| 297 | F | A | 3.1900 | |
| 298 | L | A | 2.2802 | |
| 299 | A | A | 0.0000 | |
| 300 | A | A | 1.5944 | |
| 301 | L | A | 1.8504 | |
| 302 | N | A | 1.5132 | |
| 303 | A | A | 1.4826 | |
| 304 | L | A | 1.9152 | |
| 305 | L | A | 1.7048 | |
| 306 | Q | A | 1.5718 | |
| 307 | W | A | 1.9032 | |
| 308 | L | A | 2.1838 | |
| 309 | L | A | 2.3123 | |
| 310 | R | A | 1.1972 | |
| 311 | P | A | 1.1851 | |
| 312 | L | A | 2.5104 | |
| 313 | V | A | 3.0210 | |
| 314 | L | A | 2.1948 | |
| 315 | Y | A | 1.7799 | |
| 316 | A | A | 0.5858 | |
| 317 | P | A | 0.7181 | |
| 318 | L | A | 1.2911 | |
| 319 | L | A | 1.0602 | |
| 320 | N | A | 0.0000 | |
| 321 | P | A | 0.5804 | |
| 322 | Y | A | 0.0000 | |
| 323 | T | A | 0.2629 | |
| 324 | L | A | 0.0000 | |
| 325 | A | A | -0.5018 | |
| 326 | V | A | 0.0000 | |
| 327 | A | A | -0.1737 | |
| 328 | N | A | -0.4585 | |
| 329 | T | A | 0.0000 | |
| 330 | T | A | 0.0000 | |
| 331 | F | A | 0.0000 | |
| 332 | T | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | S | A | -1.3132 | |
| 335 | T | A | -2.0229 | |
| 336 | D | A | -2.8274 | |
| 337 | K | A | -2.4686 | |
| 338 | A | A | 0.0000 | |
| 339 | Q | A | -3.2861 | |
| 340 | R | A | -2.9867 | |
| 341 | H | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | G | A | -2.1638 | |
| 344 | Y | A | 0.0000 | |
| 345 | E | A | -2.3281 | |
| 346 | P | A | -0.9172 | |
| 347 | L | A | -0.0974 | |
| 348 | F | A | -0.7037 | |
| 349 | S | A | -1.3518 | |
| 350 | W | A | -1.5774 | |
| 351 | E | A | -2.9088 | |
| 352 | D | A | -2.9225 | |
| 353 | S | A | 0.0000 | |
| 354 | R | A | -1.8296 | |
| 355 | T | A | -1.5277 | |
| 356 | R | A | -1.5887 | |
| 357 | T | A | 0.0000 | |
| 358 | I | A | -0.0320 | |
| 359 | L | A | 0.9067 | |
| 360 | W | A | 0.0978 | |
| 361 | V | A | 0.0000 | |
| 362 | Q | A | -0.5067 | |
| 363 | A | A | 0.0033 | |
| 364 | A | A | -0.4347 | |
| 365 | T | A | -0.6502 | |
| 366 | G | A | -1.0273 | |
| 367 | S | A | -0.8392 | |
| 368 | A | A | -0.7995 | |
| 369 | Q | A | -1.3628 |
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