| Chain sequence(s) |
A: MVLEADYILVGGGTAACVLANRLSADGANRVLVLEAGAGPLTVTRAPAAITRLFRSPLDWTAEHQGIYMARGRLLGGSSATNATLYHRNGRDITATVRVLDFRGEKLTVITGTVHIAATPAPPTVMQDKGLNTVSVSPAATVLPAAVTKVNIDEGTVETEGLLVRGKRVILCAGAVHTPFLLKHSGVTGGNGTGDDLQVRFVPATGTTYLDFVVGVANGALTGSGANQAAVLAANAADFAAIANPSADPFAREENVRLYATLLYAKVQGASFANPGAWSIYANMRVNLGPEVKIHSSNAITGTGAGVDASVVPHATVGQTGAPVVMIAERAAALLTGEEYVEVD
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 (00:03:49)
[INFO] Main: Simulation completed successfully. (00:03:52)
|
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 | 1.9104 | |
| 2 | V | A | 2.0472 | |
| 3 | L | A | 0.5620 | |
| 4 | E | A | -1.6864 | |
| 5 | A | A | 0.0000 | |
| 6 | D | A | -1.8260 | |
| 7 | Y | A | 0.0000 | |
| 8 | I | A | 0.0000 | |
| 9 | L | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | G | A | -0.0148 | |
| 12 | G | A | 0.0000 | |
| 13 | G | A | 0.0000 | |
| 14 | T | A | -0.0911 | |
| 15 | A | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | C | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | N | A | -1.1158 | |
| 22 | R | A | -1.6997 | |
| 23 | L | A | 0.0000 | |
| 24 | S | A | 0.0000 | |
| 25 | A | A | -1.3542 | |
| 26 | D | A | -2.3195 | |
| 27 | G | A | -1.6091 | |
| 28 | A | A | -1.2429 | |
| 29 | N | A | -1.7161 | |
| 30 | R | A | -2.5919 | |
| 31 | V | A | 0.0000 | |
| 32 | L | A | -0.3209 | |
| 33 | V | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | E | A | 0.0000 | |
| 36 | A | A | -0.0608 | |
| 37 | G | A | 0.0000 | |
| 38 | A | A | -0.2855 | |
| 39 | G | A | -0.3579 | |
| 40 | P | A | -0.1240 | |
| 41 | L | A | 0.5169 | |
| 42 | T | A | 0.2533 | |
| 43 | V | A | 0.3763 | |
| 44 | T | A | 0.0000 | |
| 45 | R | A | -0.9257 | |
| 46 | A | A | -0.4977 | |
| 47 | P | A | -0.6668 | |
| 48 | A | A | -0.6350 | |
| 49 | A | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | T | A | -1.3364 | |
| 52 | R | A | -1.9238 | |
| 53 | L | A | 0.0000 | |
| 54 | F | A | -1.0471 | |
| 55 | R | A | -1.6525 | |
| 56 | S | A | -1.1258 | |
| 57 | P | A | -0.5510 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | 0.0000 | |
| 60 | W | A | -0.2700 | |
| 61 | T | A | -0.7991 | |
| 62 | A | A | -1.1107 | |
| 63 | E | A | -2.1286 | |
| 64 | H | A | -1.6610 | |
| 65 | Q | A | -1.4767 | |
| 66 | G | A | -1.2668 | |
| 67 | I | A | 0.0000 | |
| 68 | Y | A | 0.0000 | |
| 69 | M | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | R | A | -0.4313 | |
| 72 | G | A | 0.0000 | |
| 73 | R | A | -0.4714 | |
| 74 | L | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | G | A | 0.0000 | |
| 77 | G | A | 0.0000 | |
| 78 | S | A | -0.3941 | |
| 79 | S | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | T | A | -0.6119 | |
| 82 | N | A | -0.6729 | |
| 83 | A | A | 0.0000 | |
| 84 | T | A | -0.4693 | |
| 85 | L | A | 0.4110 | |
| 86 | Y | A | 0.2637 | |
| 87 | H | A | 0.0000 | |
| 88 | R | A | -0.5964 | |
| 89 | N | A | 0.0000 | |
| 90 | G | A | -1.4721 | |
| 91 | R | A | -2.1301 | |
| 92 | D | A | -2.2877 | |
| 93 | I | A | 0.0000 | |
| 94 | T | A | -0.9893 | |
| 95 | A | A | 0.0000 | |
| 96 | T | A | -0.3490 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | D | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | R | A | -2.8751 | |
| 104 | G | A | -2.7287 | |
| 105 | E | A | -3.1432 | |
| 106 | K | A | -3.1996 | |
| 107 | L | A | -1.5564 | |
| 108 | T | A | -0.5127 | |
| 109 | V | A | 0.3933 | |
| 110 | I | A | 0.8981 | |
| 111 | T | A | 0.3183 | |
| 112 | G | A | 0.3060 | |
| 113 | T | A | -0.1860 | |
| 114 | V | A | 0.0000 | |
| 115 | H | A | -1.3027 | |
| 116 | I | A | 0.0000 | |
| 117 | A | A | -1.0910 | |
| 118 | A | A | -1.3069 | |
| 119 | T | A | -0.9139 | |
| 120 | P | A | -0.6903 | |
| 121 | A | A | -0.6452 | |
| 122 | P | A | -0.2323 | |
| 123 | P | A | 0.0287 | |
| 124 | T | A | 0.5795 | |
| 125 | V | A | 1.1311 | |
| 126 | M | A | 0.6291 | |
| 127 | Q | A | -1.0079 | |
| 128 | D | A | -1.9203 | |
| 129 | K | A | 0.0000 | |
| 130 | G | A | -0.5615 | |
| 131 | L | A | 0.8455 | |
| 132 | N | A | -0.1449 | |
| 133 | T | A | 0.0963 | |
| 134 | V | A | 0.0000 | |
| 135 | S | A | 0.2249 | |
| 136 | V | A | 0.1548 | |
| 137 | S | A | -0.1341 | |
| 138 | P | A | -0.1570 | |
| 139 | A | A | -0.6353 | |
| 140 | A | A | 0.0000 | |
| 141 | T | A | 0.0139 | |
| 142 | V | A | 0.6202 | |
| 143 | L | A | 0.4790 | |
| 144 | P | A | -0.0006 | |
| 145 | A | A | -0.3727 | |
| 146 | A | A | -0.4795 | |
| 147 | V | A | -0.3962 | |
| 148 | T | A | -0.9206 | |
| 149 | K | A | -1.4202 | |
| 150 | V | A | 0.0000 | |
| 151 | N | A | -1.4392 | |
| 152 | I | A | -1.1057 | |
| 153 | D | A | -2.5396 | |
| 154 | E | A | -2.5588 | |
| 155 | G | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | E | A | -1.1029 | |
| 159 | T | A | 0.0000 | |
| 160 | E | A | -2.0280 | |
| 161 | G | A | -1.0739 | |
| 162 | L | A | 0.2196 | |
| 163 | L | A | 0.4857 | |
| 164 | V | A | 0.0000 | |
| 165 | R | A | -1.2080 | |
| 166 | G | A | 0.0000 | |
| 167 | K | A | -1.9317 | |
| 168 | R | A | -0.7734 | |
| 169 | V | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | C | A | 0.0000 | |
| 173 | A | A | 0.0370 | |
| 174 | G | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | H | A | 0.0649 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | F | A | -0.0589 | |
| 181 | L | A | -0.6222 | |
| 182 | L | A | 0.0000 | |
| 183 | K | A | -2.1657 | |
| 184 | H | A | -1.8924 | |
| 185 | S | A | -1.4276 | |
| 186 | G | A | -1.4513 | |
| 187 | V | A | 0.0000 | |
| 188 | T | A | -1.1352 | |
| 189 | G | A | -1.1965 | |
| 190 | G | A | -1.2697 | |
| 191 | N | A | -1.9001 | |
| 192 | G | A | -1.6431 | |
| 193 | T | A | -1.3384 | |
| 194 | G | A | -1.7549 | |
| 195 | D | A | -2.5907 | |
| 196 | D | A | -1.7538 | |
| 197 | L | A | 0.0000 | |
| 198 | Q | A | -1.7168 | |
| 199 | V | A | 0.0000 | |
| 200 | R | A | -0.8293 | |
| 201 | F | A | -0.1327 | |
| 202 | V | A | 0.0672 | |
| 203 | P | A | 0.0000 | |
| 204 | A | A | 0.0000 | |
| 205 | T | A | 0.0000 | |
| 206 | G | A | -0.2773 | |
| 207 | T | A | 0.0000 | |
| 208 | T | A | -0.1154 | |
| 209 | Y | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | D | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | V | A | 0.1130 | |
| 217 | A | A | 0.0000 | |
| 218 | N | A | -0.6597 | |
| 219 | G | A | -0.5989 | |
| 220 | A | A | -0.7369 | |
| 221 | L | A | -0.5355 | |
| 222 | T | A | -0.7381 | |
| 223 | G | A | -0.4964 | |
| 224 | S | A | -0.1632 | |
| 225 | G | A | 0.0000 | |
| 226 | A | A | 0.0170 | |
| 227 | N | A | -0.1387 | |
| 228 | Q | A | 0.0000 | |
| 229 | A | A | 0.1829 | |
| 230 | A | A | 0.1586 | |
| 231 | V | A | 0.0000 | |
| 232 | L | A | 0.2662 | |
| 233 | A | A | 0.2671 | |
| 234 | A | A | -0.0078 | |
| 235 | N | A | -0.3332 | |
| 236 | A | A | -0.1416 | |
| 237 | A | A | -0.3330 | |
| 238 | D | A | -0.8428 | |
| 239 | F | A | 0.0000 | |
| 240 | A | A | -0.2898 | |
| 241 | A | A | -0.2698 | |
| 242 | I | A | -0.0911 | |
| 243 | A | A | -0.4859 | |
| 244 | N | A | -1.4055 | |
| 245 | P | A | -1.0589 | |
| 246 | S | A | -0.8073 | |
| 247 | A | A | -0.5323 | |
| 248 | D | A | -0.6895 | |
| 249 | P | A | -0.5018 | |
| 250 | F | A | 0.8205 | |
| 251 | A | A | -0.3445 | |
| 252 | R | A | -1.1379 | |
| 253 | E | A | -1.0729 | |
| 254 | E | A | -0.7276 | |
| 255 | N | A | 0.0000 | |
| 256 | V | A | -0.5647 | |
| 257 | R | A | -0.7512 | |
| 258 | L | A | 0.3003 | |
| 259 | Y | A | 0.1696 | |
| 260 | A | A | 0.0000 | |
| 261 | T | A | 0.0828 | |
| 262 | L | A | 0.1171 | |
| 263 | L | A | 0.0000 | |
| 264 | Y | A | 0.0000 | |
| 265 | A | A | -0.3816 | |
| 266 | K | A | -0.6193 | |
| 267 | V | A | 0.0000 | |
| 268 | Q | A | -0.9367 | |
| 269 | G | A | -0.8059 | |
| 270 | A | A | -0.6369 | |
| 271 | S | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | A | A | -1.0184 | |
| 274 | N | A | -1.4294 | |
| 275 | P | A | 0.0000 | |
| 276 | G | A | -0.7367 | |
| 277 | A | A | -0.6465 | |
| 278 | W | A | 0.0000 | |
| 279 | S | A | 0.2520 | |
| 280 | I | A | 0.0000 | |
| 281 | Y | A | 0.4733 | |
| 282 | A | A | 0.0000 | |
| 283 | N | A | -1.3998 | |
| 284 | M | A | 0.0000 | |
| 285 | R | A | -1.8239 | |
| 286 | V | A | 0.0000 | |
| 287 | N | A | -1.7040 | |
| 288 | L | A | 0.0000 | |
| 289 | G | A | -1.2455 | |
| 290 | P | A | -1.4480 | |
| 291 | E | A | -2.0828 | |
| 292 | V | A | 0.0000 | |
| 293 | K | A | -1.3493 | |
| 294 | I | A | 0.0000 | |
| 295 | H | A | 0.0000 | |
| 296 | S | A | 0.0000 | |
| 297 | S | A | -0.1128 | |
| 298 | N | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | T | A | -0.4456 | |
| 302 | G | A | -0.6963 | |
| 303 | T | A | -0.9415 | |
| 304 | G | A | 0.0000 | |
| 305 | A | A | 0.0000 | |
| 306 | G | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | A | A | -0.0114 | |
| 310 | S | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | P | A | -0.2600 | |
| 314 | H | A | -0.8034 | |
| 315 | A | A | 0.0000 | |
| 316 | T | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | Q | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | G | A | -0.1474 | |
| 322 | A | A | 0.0259 | |
| 323 | P | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | V | A | 0.1951 | |
| 326 | M | A | -0.2025 | |
| 327 | I | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | E | A | -0.2867 | |
| 330 | R | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | A | A | -0.4312 | |
| 334 | L | A | 0.8833 | |
| 335 | L | A | 0.5012 | |
| 336 | T | A | -0.9091 | |
| 337 | G | A | -1.1691 | |
| 338 | E | A | -2.2406 | |
| 339 | E | A | -2.1329 | |
| 340 | Y | A | -0.3032 | |
| 341 | V | A | 0.6097 | |
| 342 | E | A | -0.6243 | |
| 343 | V | A | 0.6137 | |
| 344 | D | A | -1.1748 |
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