| Chain sequence(s) |
A: MTVKMGFIGFGKSANRYHLPYVMIRETLEVKTIFDLHVNEKAAAPFKEKGVNFTADLNELLTDPEIELITICTPAHTHYDLAKQAILAGKSVIVEKPFCDTLEHAEELFALGQEKGVVVMPYQNRRFDGDYLAMKQVVEQGFLGEINEVETHIDYYRPGSITEQGPKENGSFYGLGIHLMDRMIALFGRPDQVTYDIRNNEVSEAVDNYFDVDLHYGSKLKVKVKTNHSVASPYPRFIVHGSNGSFIKYGEDQQENDLKAGIMPDAPGFGEDSPMYYGEVTYRNGNGDWIKKQIKTPVGDYGRYYDAVYETLKNGAPQLVTKEQALTNIEILEAGFLNPSPSVYHLKE
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] (00:00:00)
[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] Analysis: Starting Aggrescan3D on folded.pdb (00:05:08)
[INFO] Main: Simulation completed successfully. (00:05:10)
|
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 | 0.5369 | |
| 2 | T | A | -0.2458 | |
| 3 | V | A | 0.0000 | |
| 4 | K | A | -1.6615 | |
| 5 | M | A | 0.0000 | |
| 6 | G | A | 0.0000 | |
| 7 | F | A | 0.0000 | |
| 8 | I | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | F | A | 0.0000 | |
| 11 | G | A | -1.5177 | |
| 12 | K | A | -2.1319 | |
| 13 | S | A | -1.2942 | |
| 14 | A | A | 0.0000 | |
| 15 | N | A | -1.3541 | |
| 16 | R | A | -1.6431 | |
| 17 | Y | A | -0.5227 | |
| 18 | H | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | P | A | -0.0282 | |
| 21 | Y | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | M | A | -0.2471 | |
| 24 | I | A | -0.0231 | |
| 25 | R | A | -1.0473 | |
| 26 | E | A | -1.7530 | |
| 27 | T | A | -0.9263 | |
| 28 | L | A | 0.0000 | |
| 29 | E | A | -1.5130 | |
| 30 | V | A | 0.0000 | |
| 31 | K | A | -1.6229 | |
| 32 | T | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | F | A | 0.0000 | |
| 35 | D | A | -0.0603 | |
| 36 | L | A | 0.6727 | |
| 37 | H | A | -0.5603 | |
| 38 | V | A | -0.8194 | |
| 39 | N | A | -2.3840 | |
| 40 | E | A | -3.3631 | |
| 41 | K | A | -3.0008 | |
| 42 | A | A | -1.8793 | |
| 43 | A | A | 0.0000 | |
| 44 | A | A | -2.6223 | |
| 45 | P | A | -2.1810 | |
| 46 | F | A | -2.4431 | |
| 47 | K | A | -3.8102 | |
| 48 | E | A | -3.6490 | |
| 49 | K | A | -3.4011 | |
| 50 | G | A | -2.8190 | |
| 51 | V | A | 0.0000 | |
| 52 | N | A | -1.9423 | |
| 53 | F | A | -1.3425 | |
| 54 | T | A | -0.9129 | |
| 55 | A | A | -0.7293 | |
| 56 | D | A | -2.3046 | |
| 57 | L | A | -1.6102 | |
| 58 | N | A | -2.6181 | |
| 59 | E | A | -2.9889 | |
| 60 | L | A | 0.0000 | |
| 61 | L | A | -1.4875 | |
| 62 | T | A | -1.4251 | |
| 63 | D | A | -1.9550 | |
| 64 | P | A | -1.8430 | |
| 65 | E | A | -2.5666 | |
| 66 | I | A | 0.0000 | |
| 67 | E | A | -2.1163 | |
| 68 | L | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | T | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | C | A | 0.0000 | |
| 73 | T | A | -0.7021 | |
| 74 | P | A | -0.7383 | |
| 75 | A | A | -1.4538 | |
| 76 | H | A | -1.6487 | |
| 77 | T | A | -1.0295 | |
| 78 | H | A | 0.0000 | |
| 79 | Y | A | -1.3173 | |
| 80 | D | A | -1.7621 | |
| 81 | L | A | -0.7161 | |
| 82 | A | A | 0.0000 | |
| 83 | K | A | -0.9298 | |
| 84 | Q | A | -0.7237 | |
| 85 | A | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | L | A | 0.8102 | |
| 88 | A | A | -0.0575 | |
| 89 | G | A | -0.2888 | |
| 90 | K | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | E | A | -0.7821 | |
| 96 | K | A | -1.6959 | |
| 97 | P | A | -1.5390 | |
| 98 | F | A | 0.0000 | |
| 99 | C | A | 0.0000 | |
| 100 | D | A | -2.7294 | |
| 101 | T | A | -1.7655 | |
| 102 | L | A | -1.5349 | |
| 103 | E | A | -2.6269 | |
| 104 | H | A | -2.2309 | |
| 105 | A | A | 0.0000 | |
| 106 | E | A | -2.4826 | |
| 107 | E | A | -1.6118 | |
| 108 | L | A | 0.0000 | |
| 109 | F | A | -1.4809 | |
| 110 | A | A | -1.4887 | |
| 111 | L | A | -1.2771 | |
| 112 | G | A | -1.4917 | |
| 113 | Q | A | -2.2450 | |
| 114 | E | A | -2.5689 | |
| 115 | K | A | -1.6994 | |
| 116 | G | A | -1.5574 | |
| 117 | V | A | -0.6920 | |
| 118 | V | A | -0.1896 | |
| 119 | V | A | 0.0000 | |
| 120 | M | A | 0.0000 | |
| 121 | P | A | 0.0000 | |
| 122 | Y | A | 0.0000 | |
| 123 | Q | A | 0.0000 | |
| 124 | N | A | 0.0000 | |
| 125 | R | A | -0.2007 | |
| 126 | R | A | 0.0000 | |
| 127 | F | A | 0.0825 | |
| 128 | D | A | 0.0000 | |
| 129 | G | A | 0.0000 | |
| 130 | D | A | 0.0000 | |
| 131 | Y | A | 0.0000 | |
| 132 | L | A | -0.1377 | |
| 133 | A | A | 0.0000 | |
| 134 | M | A | 0.0000 | |
| 135 | K | A | -1.5820 | |
| 136 | Q | A | -2.2956 | |
| 137 | V | A | 0.0000 | |
| 138 | V | A | -1.8168 | |
| 139 | E | A | -2.8675 | |
| 140 | Q | A | -2.4671 | |
| 141 | G | A | -1.8254 | |
| 142 | F | A | -0.9374 | |
| 143 | L | A | 0.0000 | |
| 144 | G | A | -1.6685 | |
| 145 | E | A | -2.5943 | |
| 146 | I | A | -2.0013 | |
| 147 | N | A | -2.4638 | |
| 148 | E | A | -2.4814 | |
| 149 | V | A | 0.0000 | |
| 150 | E | A | -0.7038 | |
| 151 | T | A | 0.0000 | |
| 152 | H | A | 0.0000 | |
| 153 | I | A | -0.0813 | |
| 154 | D | A | -0.0384 | |
| 155 | Y | A | 0.2606 | |
| 156 | Y | A | 0.4110 | |
| 157 | R | A | -1.2040 | |
| 158 | P | A | -1.1314 | |
| 159 | G | A | -1.2925 | |
| 160 | S | A | -1.0272 | |
| 161 | I | A | -1.0470 | |
| 162 | T | A | -1.7126 | |
| 163 | E | A | -2.7630 | |
| 164 | Q | A | -2.9355 | |
| 165 | G | A | -2.4803 | |
| 166 | P | A | -1.8399 | |
| 167 | K | A | -2.0297 | |
| 168 | E | A | -3.0828 | |
| 169 | N | A | -2.5446 | |
| 170 | G | A | 0.0000 | |
| 171 | S | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | Y | A | -0.9998 | |
| 174 | G | A | -0.7667 | |
| 175 | L | A | 0.1995 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | H | A | -0.2247 | |
| 179 | L | A | 0.0000 | |
| 180 | M | A | 0.0000 | |
| 181 | D | A | 0.0000 | |
| 182 | R | A | 0.0000 | |
| 183 | M | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 185 | A | A | -0.1981 | |
| 186 | L | A | -0.0616 | |
| 187 | F | A | 0.1496 | |
| 188 | G | A | -0.7479 | |
| 189 | R | A | -1.7129 | |
| 190 | P | A | 0.0000 | |
| 191 | D | A | -2.2942 | |
| 192 | Q | A | -1.5909 | |
| 193 | V | A | 0.0000 | |
| 194 | T | A | 0.2457 | |
| 195 | Y | A | 0.0000 | |
| 196 | D | A | -0.6218 | |
| 197 | I | A | 0.0000 | |
| 198 | R | A | -1.6920 | |
| 199 | N | A | 0.0000 | |
| 200 | N | A | -2.1401 | |
| 201 | E | A | -1.8104 | |
| 202 | V | A | -1.5600 | |
| 203 | S | A | -1.9011 | |
| 204 | E | A | -2.8539 | |
| 205 | A | A | 0.0000 | |
| 206 | V | A | -2.0291 | |
| 207 | D | A | 0.0000 | |
| 208 | N | A | 0.0000 | |
| 209 | Y | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | D | A | -0.7225 | |
| 212 | V | A | 0.0000 | |
| 213 | D | A | -0.6651 | |
| 214 | L | A | 0.0000 | |
| 215 | H | A | -1.6678 | |
| 216 | Y | A | -1.5144 | |
| 217 | G | A | -1.4323 | |
| 218 | S | A | -1.5240 | |
| 219 | K | A | -2.6785 | |
| 220 | L | A | 0.0000 | |
| 221 | K | A | -1.7464 | |
| 222 | V | A | 0.0000 | |
| 223 | K | A | -0.9305 | |
| 224 | V | A | 0.0000 | |
| 225 | K | A | -0.5052 | |
| 226 | T | A | 0.0000 | |
| 227 | N | A | -0.5533 | |
| 228 | H | A | 0.0000 | |
| 229 | S | A | -0.4821 | |
| 230 | V | A | 0.2669 | |
| 231 | A | A | 0.2001 | |
| 232 | S | A | 0.0458 | |
| 233 | P | A | 0.2711 | |
| 234 | Y | A | 0.5788 | |
| 235 | P | A | 0.5117 | |
| 236 | R | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | I | A | -0.0229 | |
| 239 | V | A | 0.0000 | |
| 240 | H | A | -1.3591 | |
| 241 | G | A | -1.7629 | |
| 242 | S | A | -1.3350 | |
| 243 | N | A | -1.3811 | |
| 244 | G | A | -0.8818 | |
| 245 | S | A | -0.7873 | |
| 246 | F | A | 0.0000 | |
| 247 | I | A | 0.0628 | |
| 248 | K | A | 0.0000 | |
| 249 | Y | A | 0.8152 | |
| 250 | G | A | -0.1239 | |
| 251 | E | A | -1.6662 | |
| 252 | D | A | -1.8160 | |
| 253 | Q | A | -2.4204 | |
| 254 | Q | A | 0.0000 | |
| 255 | E | A | -2.1120 | |
| 256 | N | A | -2.6249 | |
| 257 | D | A | -1.8465 | |
| 258 | L | A | 0.0000 | |
| 259 | K | A | -2.5157 | |
| 260 | A | A | -1.2392 | |
| 261 | G | A | -0.8017 | |
| 262 | I | A | -0.3353 | |
| 263 | M | A | -0.1744 | |
| 264 | P | A | -0.5495 | |
| 265 | D | A | -1.4587 | |
| 266 | A | A | -0.8287 | |
| 267 | P | A | -0.9978 | |
| 268 | G | A | -1.2445 | |
| 269 | F | A | 0.0000 | |
| 270 | G | A | -1.3929 | |
| 271 | E | A | -2.2412 | |
| 272 | D | A | -1.4277 | |
| 273 | S | A | -0.4984 | |
| 274 | P | A | -0.1249 | |
| 275 | M | A | 1.3030 | |
| 276 | Y | A | 0.7209 | |
| 277 | Y | A | -0.3171 | |
| 278 | G | A | 0.0000 | |
| 279 | E | A | -2.2407 | |
| 280 | V | A | 0.0000 | |
| 281 | T | A | -1.2400 | |
| 282 | Y | A | -1.0455 | |
| 283 | R | A | -1.9179 | |
| 284 | N | A | -2.0114 | |
| 285 | G | A | -1.9683 | |
| 286 | N | A | -2.4057 | |
| 287 | G | A | -2.1511 | |
| 288 | D | A | -1.9552 | |
| 289 | W | A | -0.6095 | |
| 290 | I | A | -0.8382 | |
| 291 | K | A | -2.3826 | |
| 292 | K | A | -2.8910 | |
| 293 | Q | A | -2.6874 | |
| 294 | I | A | -1.9935 | |
| 295 | K | A | -2.2199 | |
| 296 | T | A | 0.0000 | |
| 297 | P | A | -0.5222 | |
| 298 | V | A | -0.1155 | |
| 299 | G | A | 0.0000 | |
| 300 | D | A | -0.4228 | |
| 301 | Y | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | R | A | -0.8984 | |
| 304 | Y | A | 0.0000 | |
| 305 | Y | A | 0.0000 | |
| 306 | D | A | -1.0529 | |
| 307 | A | A | -1.0273 | |
| 308 | V | A | 0.0000 | |
| 309 | Y | A | -1.0966 | |
| 310 | E | A | -2.2191 | |
| 311 | T | A | -1.4635 | |
| 312 | L | A | -1.2056 | |
| 313 | K | A | -1.6196 | |
| 314 | N | A | -2.2131 | |
| 315 | G | A | -1.6827 | |
| 316 | A | A | -1.2883 | |
| 317 | P | A | -0.8091 | |
| 318 | Q | A | -0.6790 | |
| 319 | L | A | -0.2955 | |
| 320 | V | A | 0.0000 | |
| 321 | T | A | -1.3742 | |
| 322 | K | A | -2.4664 | |
| 323 | E | A | -2.7942 | |
| 324 | Q | A | -1.5437 | |
| 325 | A | A | 0.0000 | |
| 326 | L | A | -1.3488 | |
| 327 | T | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | I | A | -0.4045 | |
| 330 | E | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | E | A | -0.4377 | |
| 334 | A | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | F | A | 0.7323 | |
| 337 | L | A | 1.2683 | |
| 338 | N | A | 0.2481 | |
| 339 | P | A | -0.2301 | |
| 340 | S | A | -0.3008 | |
| 341 | P | A | -0.4264 | |
| 342 | S | A | 0.6359 | |
| 343 | V | A | 1.2921 | |
| 344 | Y | A | 0.2140 | |
| 345 | H | A | -1.5679 | |
| 346 | L | A | 0.0000 | |
| 347 | K | A | -2.9420 | |
| 348 | E | A | -3.1131 |
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