| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:23)
[INFO] Main: Simulation completed successfully. (00:03:25)
|
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 | 0.2880 | |
| 2 | A | A | -0.6583 | |
| 3 | D | A | -2.0813 | |
| 4 | S | A | -1.4381 | |
| 5 | A | A | -1.3578 | |
| 6 | Q | A | -2.3154 | |
| 7 | A | A | -2.1283 | |
| 8 | Q | A | -2.5815 | |
| 9 | K | A | -2.6406 | |
| 10 | L | A | 0.0000 | |
| 11 | V | A | -0.8123 | |
| 12 | Y | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | T | A | 0.0000 | |
| 16 | G | A | -0.3933 | |
| 17 | G | A | 0.0000 | |
| 18 | C | A | -0.2764 | |
| 19 | G | A | -0.3381 | |
| 20 | F | A | -0.1471 | |
| 21 | L | A | 0.0000 | |
| 22 | G | A | 0.0000 | |
| 23 | E | A | -0.6215 | |
| 24 | H | A | -0.5831 | |
| 25 | V | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | R | A | -1.4111 | |
| 28 | M | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | L | A | -1.3332 | |
| 31 | Q | A | -2.0889 | |
| 32 | R | A | -2.2604 | |
| 33 | E | A | 0.0000 | |
| 34 | P | A | -1.1963 | |
| 35 | R | A | -1.5707 | |
| 36 | L | A | 0.0000 | |
| 37 | G | A | -1.2853 | |
| 38 | E | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | R | A | -0.3376 | |
| 41 | V | A | 0.0000 | |
| 42 | F | A | 0.0000 | |
| 43 | D | A | -1.0573 | |
| 44 | Q | A | -1.4346 | |
| 45 | H | A | -1.3464 | |
| 46 | L | A | -0.3099 | |
| 47 | G | A | -0.4604 | |
| 48 | P | A | -0.9618 | |
| 49 | W | A | -1.2248 | |
| 50 | L | A | 0.0000 | |
| 51 | E | A | -3.1826 | |
| 52 | E | A | -3.1726 | |
| 53 | L | A | -2.5073 | |
| 54 | K | A | -3.2207 | |
| 55 | T | A | -2.0426 | |
| 56 | G | A | -1.5265 | |
| 57 | P | A | -1.0264 | |
| 58 | V | A | -1.2280 | |
| 59 | R | A | -2.1961 | |
| 60 | V | A | -1.6576 | |
| 61 | T | A | -0.9011 | |
| 62 | A | A | -0.5727 | |
| 63 | I | A | -0.4074 | |
| 64 | Q | A | -1.4537 | |
| 65 | G | A | 0.0000 | |
| 66 | D | A | -1.4664 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -1.2964 | |
| 69 | Q | A | -1.3457 | |
| 70 | A | A | -1.4552 | |
| 71 | H | A | -1.4841 | |
| 72 | E | A | -1.4766 | |
| 73 | V | A | 0.0000 | |
| 74 | A | A | -0.9984 | |
| 75 | A | A | -0.4172 | |
| 76 | A | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.4287 | |
| 79 | G | A | -0.5401 | |
| 80 | A | A | 0.0000 | |
| 81 | H | A | -0.8124 | |
| 82 | V | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | T | A | -0.0847 | |
| 87 | A | A | 0.0062 | |
| 88 | G | A | 0.3267 | |
| 89 | L | A | 1.0526 | |
| 90 | V | A | 1.8028 | |
| 91 | D | A | 0.0000 | |
| 92 | V | A | 0.5569 | |
| 93 | F | A | 0.0000 | |
| 94 | G | A | -0.2337 | |
| 95 | R | A | -1.1160 | |
| 96 | A | A | -0.6531 | |
| 97 | S | A | -1.2839 | |
| 98 | P | A | -1.5023 | |
| 99 | K | A | -2.2005 | |
| 100 | T | A | -1.3611 | |
| 101 | I | A | 0.0000 | |
| 102 | H | A | -1.4375 | |
| 103 | E | A | -1.9956 | |
| 104 | V | A | -0.9091 | |
| 105 | N | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | Q | A | -1.6947 | |
| 108 | G | A | 0.0000 | |
| 109 | T | A | 0.0000 | |
| 110 | R | A | -2.1890 | |
| 111 | N | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | E | A | -1.8745 | |
| 115 | A | A | 0.0000 | |
| 116 | C | A | 0.0000 | |
| 117 | V | A | -1.9066 | |
| 118 | Q | A | -2.2811 | |
| 119 | T | A | -1.5266 | |
| 120 | G | A | -1.8036 | |
| 121 | T | A | 0.0000 | |
| 122 | R | A | -0.9193 | |
| 123 | F | A | -0.3148 | |
| 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 | 0.0000 | |
| 130 | M | A | 0.0000 | |
| 131 | E | A | -0.1717 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | -0.2108 | |
| 134 | G | A | 0.0000 | |
| 135 | P | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | T | A | -1.4130 | |
| 138 | K | A | -2.3970 | |
| 139 | G | A | -1.7482 | |
| 140 | H | A | -1.8737 | |
| 141 | P | A | -0.7009 | |
| 142 | F | A | 0.0000 | |
| 143 | Y | A | 0.6623 | |
| 144 | R | A | -0.2951 | |
| 145 | G | A | 0.0000 | |
| 146 | N | A | -1.6216 | |
| 147 | E | A | -1.6379 | |
| 148 | D | A | -2.1851 | |
| 149 | T | A | -1.3679 | |
| 150 | P | A | -1.1351 | |
| 151 | Y | A | -1.1481 | |
| 152 | E | A | -2.0329 | |
| 153 | A | A | -1.1526 | |
| 154 | V | A | -0.8812 | |
| 155 | H | A | -1.2020 | |
| 156 | R | A | -1.8214 | |
| 157 | H | A | -0.9463 | |
| 158 | P | A | -0.6697 | |
| 159 | Y | A | 0.0000 | |
| 160 | P | A | 0.0000 | |
| 161 | C | A | -0.0587 | |
| 162 | S | A | 0.0000 | |
| 163 | K | A | 0.0000 | |
| 164 | A | A | 0.8097 | |
| 165 | L | A | 1.2964 | |
| 166 | A | A | 0.0000 | |
| 167 | E | A | 0.0000 | |
| 168 | W | A | 1.1093 | |
| 169 | L | A | 0.0395 | |
| 170 | V | A | 0.0000 | |
| 171 | L | A | -0.3033 | |
| 172 | E | A | -1.6239 | |
| 173 | A | A | 0.0000 | |
| 174 | N | A | -1.6555 | |
| 175 | G | A | -1.4247 | |
| 176 | R | A | -2.1759 | |
| 177 | K | A | -2.6139 | |
| 178 | V | A | 0.0000 | |
| 179 | R | A | -2.8418 | |
| 180 | G | A | -1.6905 | |
| 181 | G | A | -1.3326 | |
| 182 | L | A | -0.1848 | |
| 183 | P | A | -1.0077 | |
| 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 | 0.0000 | |
| 191 | P | A | 0.0000 | |
| 192 | T | A | 0.0000 | |
| 193 | G | A | 0.0514 | |
| 194 | I | A | 0.2822 | |
| 195 | Y | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | E | A | -0.5188 | |
| 198 | G | A | -0.7460 | |
| 199 | H | A | -0.8124 | |
| 200 | Q | A | -1.2385 | |
| 201 | I | A | -0.2284 | |
| 202 | M | A | 0.0000 | |
| 203 | R | A | -2.2280 | |
| 204 | D | A | -2.2256 | |
| 205 | F | A | -0.9562 | |
| 206 | Y | A | 0.0000 | |
| 207 | R | A | -2.3365 | |
| 208 | Q | A | -1.7810 | |
| 209 | G | A | 0.0000 | |
| 210 | L | A | -0.8849 | |
| 211 | R | A | -1.6388 | |
| 212 | L | A | -0.0277 | |
| 213 | G | A | -0.5100 | |
| 214 | G | A | -0.4764 | |
| 215 | W | A | 0.6407 | |
| 216 | L | A | 0.0000 | |
| 217 | F | A | 1.8313 | |
| 218 | R | A | 0.0000 | |
| 219 | A | A | 0.7062 | |
| 220 | I | A | 0.0000 | |
| 221 | P | A | -0.4481 | |
| 222 | A | A | -0.6659 | |
| 223 | S | A | -0.5841 | |
| 224 | V | A | 0.0000 | |
| 225 | E | A | -0.3458 | |
| 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 | -0.2399 | |
| 237 | M | A | 0.0000 | |
| 238 | H | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | R | A | -0.9725 | |
| 244 | E | A | -1.3361 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -1.5801 | |
| 247 | Q | A | -2.1335 | |
| 248 | R | A | -2.0597 | |
| 249 | A | A | -1.0950 | |
| 250 | T | A | -0.5296 | |
| 251 | L | A | -0.2230 | |
| 252 | M | A | 0.0000 | |
| 253 | G | A | -0.4688 | |
| 254 | G | A | -0.5125 | |
| 255 | Q | A | -0.2760 | |
| 256 | V | A | -0.2423 | |
| 257 | Y | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | Y | A | -0.4226 | |
| 261 | D | A | -0.6229 | |
| 262 | G | A | -0.8665 | |
| 263 | S | A | 0.0000 | |
| 264 | P | A | -0.1001 | |
| 265 | Y | A | 0.0200 | |
| 266 | R | A | -0.3948 | |
| 267 | S | A | 0.0000 | |
| 268 | Y | A | 0.2023 | |
| 269 | E | A | 0.0000 | |
| 270 | D | A | -0.3176 | |
| 271 | F | A | 0.0000 | |
| 272 | N | A | -0.1335 | |
| 273 | M | A | -0.5547 | |
| 274 | E | A | -0.5897 | |
| 275 | F | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | G | A | -0.8767 | |
| 278 | P | A | -0.5115 | |
| 279 | C | A | -0.4011 | |
| 280 | G | A | -0.8548 | |
| 281 | L | A | 0.0000 | |
| 282 | R | A | -1.1395 | |
| 283 | L | A | 0.3211 | |
| 284 | V | A | 1.0146 | |
| 285 | G | A | 0.0628 | |
| 286 | A | A | -0.4033 | |
| 287 | R | A | -1.2591 | |
| 288 | P | A | 0.3714 | |
| 289 | L | A | 1.6632 | |
| 290 | L | A | 1.5590 | |
| 291 | P | A | 1.3675 | |
| 292 | Y | A | 2.5260 | |
| 293 | W | A | 2.8061 | |
| 294 | L | A | 2.4488 | |
| 295 | L | A | 0.0000 | |
| 296 | V | A | 2.9066 | |
| 297 | F | A | 3.3174 | |
| 298 | L | A | 2.3765 | |
| 299 | A | A | 0.0000 | |
| 300 | A | A | 1.7819 | |
| 301 | L | A | 2.0652 | |
| 302 | N | A | 1.7093 | |
| 303 | A | A | 1.6534 | |
| 304 | L | A | 2.2305 | |
| 305 | L | A | 1.8942 | |
| 306 | Q | A | 1.7025 | |
| 307 | W | A | 2.2937 | |
| 308 | L | A | 2.5203 | |
| 309 | L | A | 2.3836 | |
| 310 | R | A | 1.3723 | |
| 311 | P | A | 1.1982 | |
| 312 | L | A | 2.4881 | |
| 313 | V | A | 2.9141 | |
| 314 | L | A | 2.2608 | |
| 315 | Y | A | 1.6481 | |
| 316 | A | A | 0.6437 | |
| 317 | P | A | 0.8108 | |
| 318 | L | A | 1.6793 | |
| 319 | L | A | 1.2503 | |
| 320 | N | A | 0.0000 | |
| 321 | P | A | 0.7246 | |
| 322 | Y | A | 0.0180 | |
| 323 | T | A | 0.3701 | |
| 324 | L | A | 0.0000 | |
| 325 | A | A | -0.4204 | |
| 326 | V | A | 0.0000 | |
| 327 | A | A | -0.0774 | |
| 328 | N | A | -0.4118 | |
| 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 | -0.7038 | |
| 335 | T | A | -1.6205 | |
| 336 | D | A | -2.4561 | |
| 337 | K | A | -2.1175 | |
| 338 | A | A | 0.0000 | |
| 339 | Q | A | -2.9580 | |
| 340 | R | A | -2.8659 | |
| 341 | H | A | -1.7440 | |
| 342 | F | A | 0.0000 | |
| 343 | G | A | -2.0626 | |
| 344 | Y | A | 0.0000 | |
| 345 | E | A | -2.1501 | |
| 346 | P | A | -0.6970 | |
| 347 | L | A | 0.2185 | |
| 348 | F | A | -0.6244 | |
| 349 | S | A | -1.3565 | |
| 350 | W | A | -1.5738 | |
| 351 | E | A | -2.8463 | |
| 352 | D | A | -2.8202 | |
| 353 | S | A | 0.0000 | |
| 354 | R | A | -1.7212 | |
| 355 | T | A | -1.2813 | |
| 356 | R | A | -1.0913 | |
| 357 | T | A | 0.0000 | |
| 358 | I | A | 0.1892 | |
| 359 | L | A | 1.1655 | |
| 360 | W | A | 0.4113 | |
| 361 | V | A | 0.0000 | |
| 362 | Q | A | -0.2187 | |
| 363 | A | A | 0.0788 | |
| 364 | A | A | -0.4236 | |
| 365 | T | A | -0.8893 | |
| 366 | G | A | -1.0546 | |
| 367 | S | A | -0.8443 | |
| 368 | A | A | -0.7620 | |
| 369 | Q | A | -1.3794 |
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