| 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 |
| 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] Analysis: Starting Aggrescan3D on folded.pdb (00:03:39)
[INFO] Main: Simulation completed successfully. (00:03:41)
|
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 | -2.1487 | |
| 7 | A | A | -1.6802 | |
| 8 | Q | A | -2.3822 | |
| 9 | K | A | -2.6326 | |
| 10 | L | A | 0.0000 | |
| 11 | V | A | -0.8084 | |
| 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 | -0.2249 | |
| 19 | G | A | -0.3051 | |
| 20 | F | A | -0.1656 | |
| 21 | L | A | 0.0000 | |
| 22 | G | A | 0.0000 | |
| 23 | E | A | -0.9147 | |
| 24 | H | A | -0.9022 | |
| 25 | V | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | R | A | -1.9358 | |
| 28 | M | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | L | A | -1.3064 | |
| 31 | Q | A | -1.9688 | |
| 32 | R | A | -1.8613 | |
| 33 | E | A | 0.0000 | |
| 34 | P | A | -1.1109 | |
| 35 | R | A | -1.5511 | |
| 36 | L | A | 0.0000 | |
| 37 | G | A | -1.4264 | |
| 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 | -1.2497 | |
| 45 | H | A | -1.1972 | |
| 46 | L | A | -0.3477 | |
| 47 | G | A | -0.3980 | |
| 48 | P | A | -0.9201 | |
| 49 | W | A | -1.1998 | |
| 50 | L | A | 0.0000 | |
| 51 | E | A | -3.1470 | |
| 52 | E | A | -3.1882 | |
| 53 | L | A | -2.6331 | |
| 54 | K | A | -3.3284 | |
| 55 | T | A | -2.1117 | |
| 56 | G | A | -1.5163 | |
| 57 | P | A | -1.0022 | |
| 58 | V | A | -1.4367 | |
| 59 | R | A | -2.2964 | |
| 60 | V | A | 0.0000 | |
| 61 | T | A | -1.0459 | |
| 62 | A | A | -0.4502 | |
| 63 | I | A | -0.3934 | |
| 64 | Q | A | -1.3805 | |
| 65 | G | A | -1.3881 | |
| 66 | D | A | -1.4249 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -1.2165 | |
| 69 | Q | A | -1.3539 | |
| 70 | A | A | -1.2888 | |
| 71 | H | A | -1.4744 | |
| 72 | E | A | -1.4754 | |
| 73 | V | A | 0.0000 | |
| 74 | A | A | -0.8839 | |
| 75 | A | A | -0.4171 | |
| 76 | A | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.4158 | |
| 79 | G | A | -0.5081 | |
| 80 | A | A | 0.0000 | |
| 81 | H | A | -0.6608 | |
| 82 | V | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | T | A | -0.0732 | |
| 87 | A | A | 0.0000 | |
| 88 | G | A | 0.3094 | |
| 89 | L | A | 0.9834 | |
| 90 | V | A | 1.7948 | |
| 91 | D | A | 0.0000 | |
| 92 | V | A | 0.5911 | |
| 93 | F | A | 0.3564 | |
| 94 | G | A | -0.1598 | |
| 95 | R | A | -1.0620 | |
| 96 | A | A | -0.6156 | |
| 97 | S | A | -1.2917 | |
| 98 | P | A | -1.5241 | |
| 99 | K | A | -2.2272 | |
| 100 | T | A | -1.3875 | |
| 101 | I | A | 0.0000 | |
| 102 | H | A | -1.4985 | |
| 103 | E | A | -2.0113 | |
| 104 | V | A | -0.8656 | |
| 105 | N | A | 0.0000 | |
| 106 | V | A | -0.5957 | |
| 107 | Q | A | -1.5369 | |
| 108 | G | A | 0.0000 | |
| 109 | T | A | 0.0000 | |
| 110 | R | A | -1.4974 | |
| 111 | N | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | E | A | -1.1629 | |
| 115 | A | A | 0.0000 | |
| 116 | C | A | 0.0000 | |
| 117 | V | A | -1.6119 | |
| 118 | Q | A | -2.1039 | |
| 119 | T | A | -1.4241 | |
| 120 | G | A | -1.6805 | |
| 121 | T | A | 0.0000 | |
| 122 | R | A | -0.8430 | |
| 123 | F | A | -0.2556 | |
| 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 | 0.0701 | |
| 130 | M | A | 0.0000 | |
| 131 | E | A | -0.1382 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | -0.1227 | |
| 134 | G | A | 0.0000 | |
| 135 | P | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | T | A | -1.3877 | |
| 138 | K | A | -2.3582 | |
| 139 | G | A | -1.6935 | |
| 140 | H | A | -1.8850 | |
| 141 | P | A | -0.7928 | |
| 142 | F | A | 0.0000 | |
| 143 | Y | A | 0.3792 | |
| 144 | R | A | -0.9056 | |
| 145 | G | A | 0.0000 | |
| 146 | N | A | -1.5555 | |
| 147 | E | A | -1.5981 | |
| 148 | D | A | -2.1325 | |
| 149 | T | A | -1.3745 | |
| 150 | P | A | -1.1264 | |
| 151 | Y | A | -1.1789 | |
| 152 | E | A | -1.9859 | |
| 153 | A | A | -0.8748 | |
| 154 | V | A | -0.7628 | |
| 155 | H | A | -1.1762 | |
| 156 | R | A | -1.8221 | |
| 157 | H | A | -0.9836 | |
| 158 | P | A | -0.7013 | |
| 159 | Y | A | 0.0000 | |
| 160 | P | A | 0.0000 | |
| 161 | C | A | -0.1528 | |
| 162 | S | A | 0.0000 | |
| 163 | K | A | 0.0000 | |
| 164 | A | A | 0.6876 | |
| 165 | L | A | 0.9886 | |
| 166 | A | A | 0.0000 | |
| 167 | E | A | 0.0000 | |
| 168 | W | A | 1.0012 | |
| 169 | L | A | 0.0169 | |
| 170 | V | A | 0.0000 | |
| 171 | L | A | -0.4094 | |
| 172 | E | A | -1.6248 | |
| 173 | A | A | 0.0000 | |
| 174 | N | A | -1.6812 | |
| 175 | G | A | -1.5770 | |
| 176 | R | A | -2.1588 | |
| 177 | K | A | -2.5229 | |
| 178 | V | A | 0.0000 | |
| 179 | R | A | -2.7508 | |
| 180 | G | A | -1.5809 | |
| 181 | G | A | -1.1030 | |
| 182 | L | A | -0.0050 | |
| 183 | P | A | -0.9757 | |
| 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 | -0.2038 | |
| 191 | P | A | 0.0000 | |
| 192 | T | A | 0.0000 | |
| 193 | G | A | 0.0703 | |
| 194 | I | A | 0.3214 | |
| 195 | Y | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | E | A | -0.6813 | |
| 198 | G | A | -0.8974 | |
| 199 | H | A | -1.1119 | |
| 200 | Q | A | -1.8362 | |
| 201 | I | A | -0.9890 | |
| 202 | M | A | 0.0000 | |
| 203 | R | A | -2.5322 | |
| 204 | D | A | -2.5260 | |
| 205 | F | A | -1.2603 | |
| 206 | Y | A | 0.0000 | |
| 207 | R | A | -1.5120 | |
| 208 | Q | A | -1.4998 | |
| 209 | G | A | 0.0000 | |
| 210 | L | A | -0.2701 | |
| 211 | R | A | -1.3377 | |
| 212 | L | A | 0.2391 | |
| 213 | G | A | -0.4079 | |
| 214 | G | A | -0.2455 | |
| 215 | W | A | 0.8672 | |
| 216 | L | A | 1.1303 | |
| 217 | F | A | 2.0339 | |
| 218 | R | A | 0.0000 | |
| 219 | A | A | 0.7821 | |
| 220 | I | A | 0.0000 | |
| 221 | P | A | -0.4825 | |
| 222 | A | A | -0.7956 | |
| 223 | S | A | -0.6672 | |
| 224 | V | A | 0.0000 | |
| 225 | E | A | -0.6303 | |
| 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 | -0.3122 | |
| 237 | M | A | 0.0000 | |
| 238 | H | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | L | A | -0.4020 | |
| 241 | A | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | R | A | -0.8397 | |
| 244 | E | A | -1.1224 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -1.4334 | |
| 247 | Q | A | -1.8904 | |
| 248 | R | A | -1.5502 | |
| 249 | A | A | -0.9289 | |
| 250 | T | A | -0.3889 | |
| 251 | L | A | 0.0171 | |
| 252 | M | A | 0.0000 | |
| 253 | G | A | -0.3697 | |
| 254 | G | A | -0.5227 | |
| 255 | Q | A | -0.2689 | |
| 256 | V | A | -0.0725 | |
| 257 | Y | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | Y | A | 0.0000 | |
| 261 | D | A | -0.7002 | |
| 262 | G | A | -0.7401 | |
| 263 | S | A | 0.0000 | |
| 264 | P | A | -0.3352 | |
| 265 | Y | A | -0.4794 | |
| 266 | R | A | -0.8787 | |
| 267 | S | A | 0.0000 | |
| 268 | Y | A | -0.0594 | |
| 269 | E | A | 0.0273 | |
| 270 | D | A | -0.4423 | |
| 271 | F | A | 0.0000 | |
| 272 | N | A | 0.0000 | |
| 273 | M | A | -0.3929 | |
| 274 | E | A | -0.5030 | |
| 275 | F | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | G | A | -0.5928 | |
| 278 | P | A | -0.4594 | |
| 279 | C | A | -0.3543 | |
| 280 | G | A | -0.7693 | |
| 281 | L | A | 0.0000 | |
| 282 | R | A | -0.8482 | |
| 283 | L | A | 0.5757 | |
| 284 | V | A | 1.1972 | |
| 285 | G | A | 0.2821 | |
| 286 | A | A | -0.3425 | |
| 287 | R | A | -1.2146 | |
| 288 | P | A | 0.4563 | |
| 289 | L | A | 1.7498 | |
| 290 | L | A | 1.6266 | |
| 291 | P | A | 1.4786 | |
| 292 | Y | A | 2.7236 | |
| 293 | W | A | 2.8913 | |
| 294 | L | A | 2.4880 | |
| 295 | L | A | 0.0000 | |
| 296 | V | A | 2.9212 | |
| 297 | F | A | 3.2714 | |
| 298 | L | A | 2.3323 | |
| 299 | A | A | 0.0000 | |
| 300 | A | A | 1.6552 | |
| 301 | L | A | 1.9129 | |
| 302 | N | A | 1.5642 | |
| 303 | A | A | 1.5426 | |
| 304 | L | A | 2.0270 | |
| 305 | L | A | 1.7779 | |
| 306 | Q | A | 1.6277 | |
| 307 | W | A | 1.9712 | |
| 308 | L | A | 2.2801 | |
| 309 | L | A | 2.3614 | |
| 310 | R | A | 1.2337 | |
| 311 | P | A | 1.2008 | |
| 312 | L | A | 2.5216 | |
| 313 | V | A | 3.0297 | |
| 314 | L | A | 2.1982 | |
| 315 | Y | A | 1.7860 | |
| 316 | A | A | 0.5833 | |
| 317 | P | A | 0.7045 | |
| 318 | L | A | 1.2584 | |
| 319 | L | A | 1.0522 | |
| 320 | N | A | 0.0000 | |
| 321 | P | A | 0.5964 | |
| 322 | Y | A | 0.0000 | |
| 323 | T | A | 0.2643 | |
| 324 | L | A | 0.0000 | |
| 325 | A | A | -0.4681 | |
| 326 | V | A | 0.0000 | |
| 327 | A | A | -0.1434 | |
| 328 | N | A | -0.3952 | |
| 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 | -1.2012 | |
| 335 | T | A | -1.9615 | |
| 336 | D | A | -2.8577 | |
| 337 | K | A | -2.3821 | |
| 338 | A | A | 0.0000 | |
| 339 | Q | A | -3.3354 | |
| 340 | R | A | -3.0246 | |
| 341 | H | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | G | A | -2.1828 | |
| 344 | Y | A | 0.0000 | |
| 345 | E | A | -2.3616 | |
| 346 | P | A | -0.9585 | |
| 347 | L | A | -0.1373 | |
| 348 | F | A | -0.6870 | |
| 349 | S | A | -1.3216 | |
| 350 | W | A | -1.5313 | |
| 351 | E | A | -2.8310 | |
| 352 | D | A | -2.7886 | |
| 353 | S | A | 0.0000 | |
| 354 | R | A | -1.7255 | |
| 355 | T | A | -1.4366 | |
| 356 | R | A | -1.4815 | |
| 357 | T | A | 0.0000 | |
| 358 | I | A | -0.0013 | |
| 359 | L | A | 0.9272 | |
| 360 | W | A | 0.0975 | |
| 361 | V | A | 0.0000 | |
| 362 | Q | A | -0.5210 | |
| 363 | A | A | -0.0030 | |
| 364 | A | A | -0.4564 | |
| 365 | T | A | -0.6613 | |
| 366 | G | A | -1.0293 | |
| 367 | S | A | -0.8396 | |
| 368 | A | A | -0.7980 | |
| 369 | Q | A | -1.3618 |
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