| Chain sequence(s) |
A: MSHHHHHHSGMTPVGMFARAMAKFFISTPKWLKDNKFPEPVVAFFEGLSVESKEYEAGKGSEDPAEAKPFIKKMWSKLSNYVNSMTDLTNIGRIMEWFMRIMYYMVKYLFNSPVYQEHKAPHGAAVKVELPAPVKSVLEDMQQFSSDFMKDVTATVAQNVTEKERKGWWNDVVAVMFYYLERVVKVTEGDPQFVAVFLKMIKEHFQIYNEIMDSNDASIATWMAVIDELIEAAKAGQIDNVLFFSTGDRSTDHYYYWPPYSEKDQMYYGIDKARKILVKGGYVINPGTQAFFEGYDEDPRQFYKAQKDGNMTEIITAKDPDGKTMVVIFNFSKGANS
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 (00:11:00)
[INFO] Main: Simulation completed successfully. (00:11:03)
|
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 | 0.5421 | |
| 2 | S | A | -0.6269 | |
| 3 | H | A | -1.7491 | |
| 4 | H | A | -2.3515 | |
| 5 | H | A | -2.7817 | |
| 6 | H | A | -2.7769 | |
| 7 | H | A | -2.5936 | |
| 8 | H | A | -2.1657 | |
| 9 | S | A | -1.7085 | |
| 10 | G | A | -1.2223 | |
| 11 | M | A | -0.7755 | |
| 12 | T | A | -0.5066 | |
| 13 | P | A | 0.0000 | |
| 14 | V | A | -0.6821 | |
| 15 | G | A | 0.0000 | |
| 16 | M | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | R | A | -0.9433 | |
| 20 | A | A | 0.0000 | |
| 21 | M | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | K | A | -1.1817 | |
| 24 | F | A | 0.0000 | |
| 25 | F | A | 0.0000 | |
| 26 | I | A | -0.5052 | |
| 27 | S | A | -0.7502 | |
| 28 | T | A | 0.0000 | |
| 29 | P | A | 0.0000 | |
| 30 | K | A | -2.9911 | |
| 31 | W | A | -2.0564 | |
| 32 | L | A | 0.0000 | |
| 33 | K | A | -3.9495 | |
| 34 | D | A | -3.5835 | |
| 35 | N | A | -2.6970 | |
| 36 | K | A | -3.3540 | |
| 37 | F | A | 0.0000 | |
| 38 | P | A | -1.7243 | |
| 39 | E | A | -2.3951 | |
| 40 | P | A | -1.1750 | |
| 41 | V | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | A | A | -0.9335 | |
| 44 | F | A | -0.5151 | |
| 45 | F | A | 0.0000 | |
| 46 | E | A | -1.1425 | |
| 47 | G | A | -0.2913 | |
| 48 | L | A | 0.0000 | |
| 49 | S | A | 0.0000 | |
| 50 | V | A | 0.2344 | |
| 51 | E | A | -1.0177 | |
| 52 | S | A | 0.0000 | |
| 53 | K | A | -2.1009 | |
| 54 | E | A | -2.3691 | |
| 55 | Y | A | 0.0000 | |
| 56 | E | A | -1.9516 | |
| 57 | A | A | -1.6919 | |
| 58 | G | A | -2.2630 | |
| 59 | K | A | -2.4650 | |
| 60 | G | A | -2.2878 | |
| 61 | S | A | 0.0000 | |
| 62 | E | A | -2.3771 | |
| 63 | D | A | -2.6633 | |
| 64 | P | A | -1.5462 | |
| 65 | A | A | -1.4607 | |
| 66 | E | A | -2.5198 | |
| 67 | A | A | 0.0000 | |
| 68 | K | A | -1.9609 | |
| 69 | P | A | -1.8110 | |
| 70 | F | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | K | A | -2.4774 | |
| 73 | K | A | -2.1635 | |
| 74 | M | A | 0.0000 | |
| 75 | W | A | -1.2466 | |
| 76 | S | A | -1.4414 | |
| 77 | K | A | -1.5958 | |
| 78 | L | A | 0.0000 | |
| 79 | S | A | -1.4010 | |
| 80 | N | A | -1.9351 | |
| 81 | Y | A | -0.9884 | |
| 82 | V | A | 0.0000 | |
| 83 | N | A | -1.8734 | |
| 84 | S | A | -1.2768 | |
| 85 | M | A | -1.2020 | |
| 86 | T | A | -1.2962 | |
| 87 | D | A | -1.9463 | |
| 88 | L | A | -1.0411 | |
| 89 | T | A | -0.7267 | |
| 90 | N | A | -0.7837 | |
| 91 | I | A | 0.0000 | |
| 92 | G | A | -0.6872 | |
| 93 | R | A | -0.9338 | |
| 94 | I | A | 0.0000 | |
| 95 | M | A | 0.0000 | |
| 96 | E | A | -0.6551 | |
| 97 | W | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | M | A | 0.0000 | |
| 100 | R | A | -0.3762 | |
| 101 | I | A | 0.0000 | |
| 102 | M | A | 0.0000 | |
| 103 | Y | A | -0.0079 | |
| 104 | Y | A | 0.1627 | |
| 105 | M | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | K | A | -0.6348 | |
| 108 | Y | A | -0.1875 | |
| 109 | L | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | N | A | -1.6370 | |
| 112 | S | A | 0.0000 | |
| 113 | P | A | -1.3441 | |
| 114 | V | A | -1.1425 | |
| 115 | Y | A | 0.0000 | |
| 116 | Q | A | -2.4741 | |
| 117 | E | A | -2.9068 | |
| 118 | H | A | -2.5136 | |
| 119 | K | A | -1.8687 | |
| 120 | A | A | -1.2264 | |
| 121 | P | A | -0.8620 | |
| 122 | H | A | -1.3831 | |
| 123 | G | A | -0.7776 | |
| 124 | A | A | -0.1688 | |
| 125 | A | A | -0.0012 | |
| 126 | V | A | 0.5887 | |
| 127 | K | A | -1.4119 | |
| 128 | V | A | -1.1388 | |
| 129 | E | A | -2.2318 | |
| 130 | L | A | 0.0000 | |
| 131 | P | A | -1.1056 | |
| 132 | A | A | -0.6244 | |
| 133 | P | A | -0.4979 | |
| 134 | V | A | 0.0000 | |
| 135 | K | A | -1.6705 | |
| 136 | S | A | -1.2393 | |
| 137 | V | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | E | A | -2.6463 | |
| 140 | D | A | -1.9483 | |
| 141 | M | A | 0.0000 | |
| 142 | Q | A | -1.7810 | |
| 143 | Q | A | -2.0726 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | S | A | -1.3311 | |
| 147 | D | A | -1.2145 | |
| 148 | F | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | K | A | -1.7000 | |
| 151 | D | A | -1.4404 | |
| 152 | V | A | 0.0000 | |
| 153 | T | A | 0.0000 | |
| 154 | A | A | -1.0950 | |
| 155 | T | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | A | A | -1.4889 | |
| 158 | Q | A | -1.7266 | |
| 159 | N | A | -2.3348 | |
| 160 | V | A | -2.0540 | |
| 161 | T | A | -2.6959 | |
| 162 | E | A | -3.7844 | |
| 163 | K | A | -4.0720 | |
| 164 | E | A | -4.0163 | |
| 165 | R | A | -3.2942 | |
| 166 | K | A | -3.3757 | |
| 167 | G | A | -2.7676 | |
| 168 | W | A | 0.0000 | |
| 169 | W | A | 0.0000 | |
| 170 | N | A | -1.2517 | |
| 171 | D | A | -1.0441 | |
| 172 | V | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | A | A | -0.1664 | |
| 175 | V | A | 0.0000 | |
| 176 | M | A | 0.0000 | |
| 177 | F | A | 0.0000 | |
| 178 | Y | A | -0.1568 | |
| 179 | Y | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | E | A | -1.2057 | |
| 182 | R | A | -1.8627 | |
| 183 | V | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | K | A | -2.8037 | |
| 186 | V | A | -1.5728 | |
| 187 | T | A | 0.0000 | |
| 188 | E | A | -2.6963 | |
| 189 | G | A | -2.1380 | |
| 190 | D | A | 0.0000 | |
| 191 | P | A | -1.7793 | |
| 192 | Q | A | -1.3183 | |
| 193 | F | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -1.2682 | |
| 200 | M | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | K | A | -1.3192 | |
| 203 | E | A | -1.5728 | |
| 204 | H | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | Q | A | -1.5678 | |
| 207 | I | A | 0.0000 | |
| 208 | Y | A | 0.0000 | |
| 209 | N | A | -2.1295 | |
| 210 | E | A | -2.6663 | |
| 211 | I | A | -1.1583 | |
| 212 | M | A | -1.8572 | |
| 213 | D | A | -2.6371 | |
| 214 | S | A | -2.3451 | |
| 215 | N | A | -2.1876 | |
| 216 | D | A | -1.5179 | |
| 217 | A | A | -0.5839 | |
| 218 | S | A | -0.5951 | |
| 219 | I | A | 0.0000 | |
| 220 | A | A | -0.2690 | |
| 221 | T | A | -0.0856 | |
| 222 | W | A | 0.0000 | |
| 223 | M | A | -0.5506 | |
| 224 | A | A | -0.6109 | |
| 225 | V | A | -0.7596 | |
| 226 | I | A | 0.0000 | |
| 227 | D | A | -2.2871 | |
| 228 | E | A | -2.7106 | |
| 229 | L | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | E | A | -3.3900 | |
| 232 | A | A | -2.3847 | |
| 233 | A | A | 0.0000 | |
| 234 | K | A | -2.8966 | |
| 235 | A | A | -1.9347 | |
| 236 | G | A | -1.8830 | |
| 237 | Q | A | -2.0606 | |
| 238 | I | A | 0.0000 | |
| 239 | D | A | -2.1493 | |
| 240 | N | A | -1.6656 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | 0.0554 | |
| 243 | F | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | G | A | -1.5011 | |
| 248 | D | A | -2.1451 | |
| 249 | R | A | -2.7601 | |
| 250 | S | A | -2.0464 | |
| 251 | T | A | -1.6947 | |
| 252 | D | A | -2.0993 | |
| 253 | H | A | -1.4661 | |
| 254 | Y | A | -0.1960 | |
| 255 | Y | A | 0.1305 | |
| 256 | Y | A | 0.6727 | |
| 257 | W | A | 0.0413 | |
| 258 | P | A | 0.0006 | |
| 259 | P | A | -0.4731 | |
| 260 | Y | A | -0.0042 | |
| 261 | S | A | -0.8274 | |
| 262 | E | A | -1.4986 | |
| 263 | K | A | -1.9112 | |
| 264 | D | A | -1.0076 | |
| 265 | Q | A | 0.0000 | |
| 266 | M | A | 0.0000 | |
| 267 | Y | A | -0.5397 | |
| 268 | Y | A | -0.2298 | |
| 269 | G | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | D | A | -1.4655 | |
| 272 | K | A | -1.3118 | |
| 273 | A | A | 0.0000 | |
| 274 | R | A | -1.3100 | |
| 275 | K | A | -2.0159 | |
| 276 | I | A | -0.9943 | |
| 277 | L | A | 0.0000 | |
| 278 | V | A | 0.4893 | |
| 279 | K | A | -1.4767 | |
| 280 | G | A | -0.8434 | |
| 281 | G | A | -0.4056 | |
| 282 | Y | A | 0.1353 | |
| 283 | V | A | 1.5112 | |
| 284 | I | A | 0.7240 | |
| 285 | N | A | -0.4150 | |
| 286 | P | A | -0.7144 | |
| 287 | G | A | -1.0890 | |
| 288 | T | A | 0.0000 | |
| 289 | Q | A | -1.4944 | |
| 290 | A | A | -1.5261 | |
| 291 | F | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | E | A | -3.2882 | |
| 294 | G | A | -2.4747 | |
| 295 | Y | A | 0.0000 | |
| 296 | D | A | -3.4836 | |
| 297 | E | A | -3.5994 | |
| 298 | D | A | -2.9795 | |
| 299 | P | A | -2.6048 | |
| 300 | R | A | -3.3837 | |
| 301 | Q | A | -3.2207 | |
| 302 | F | A | -2.4620 | |
| 303 | Y | A | -2.5723 | |
| 304 | K | A | -3.6020 | |
| 305 | A | A | -2.2114 | |
| 306 | Q | A | -2.2679 | |
| 307 | K | A | -3.2099 | |
| 308 | D | A | -3.4637 | |
| 309 | G | A | 0.0000 | |
| 310 | N | A | -2.7457 | |
| 311 | M | A | 0.0000 | |
| 312 | T | A | -0.5228 | |
| 313 | E | A | -0.5971 | |
| 314 | I | A | -0.1856 | |
| 315 | I | A | 0.0000 | |
| 316 | T | A | -0.2296 | |
| 317 | A | A | 0.0000 | |
| 318 | K | A | -1.5214 | |
| 319 | D | A | -1.2396 | |
| 320 | P | A | -1.4591 | |
| 321 | D | A | -2.6166 | |
| 322 | G | A | -2.0099 | |
| 323 | K | A | -2.4525 | |
| 324 | T | A | 0.0000 | |
| 325 | M | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | F | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | F | A | 0.0000 | |
| 332 | S | A | -1.8512 | |
| 333 | K | A | -2.6717 | |
| 334 | G | A | -1.7999 | |
| 335 | A | A | -1.7149 | |
| 336 | N | A | -1.4882 | |
| 337 | S | A | -0.8925 |
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