| Chain sequence(s) |
A: PRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGDLEGGGGSAAADLGKKLLEAARAGQDDEVRILMANGADVNAHDTFGFTPLHLAALYGHLEIVEVLLKNGADVNADDSYGRTPLHLAAMRGHLEIVEVLLKYGADVNAADEEGRTPLHLAAKRGHLEIVEVLLKNGADVNAQDKFGKTAFDISIDNGNEDLAEILQK
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 (00:10:00)
[INFO] Main: Simulation completed successfully. (00:10:02)
|
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 | P | A | -1.6205 | |
| 2 | R | A | -3.1681 | |
| 3 | R | A | -3.6128 | |
| 4 | A | A | -2.8327 | |
| 5 | E | A | -3.7882 | |
| 6 | N | A | -3.3820 | |
| 7 | W | A | -2.6053 | |
| 8 | D | A | -3.3220 | |
| 9 | E | A | -3.1840 | |
| 10 | A | A | 0.0000 | |
| 11 | E | A | -2.1734 | |
| 12 | V | A | -1.0019 | |
| 13 | G | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | E | A | -2.6829 | |
| 16 | E | A | -2.3926 | |
| 17 | A | A | -1.5491 | |
| 18 | G | A | -1.6597 | |
| 19 | V | A | -1.7306 | |
| 20 | E | A | -2.2556 | |
| 21 | E | A | -2.5235 | |
| 22 | Y | A | -1.3149 | |
| 23 | G | A | -1.5174 | |
| 24 | P | A | -1.8295 | |
| 25 | E | A | -3.0502 | |
| 26 | E | A | -3.3029 | |
| 27 | D | A | -3.0300 | |
| 28 | G | A | -2.5463 | |
| 29 | G | A | -2.9512 | |
| 30 | E | A | -3.5448 | |
| 31 | E | A | -3.5965 | |
| 32 | S | A | -2.0784 | |
| 33 | G | A | -1.4795 | |
| 34 | A | A | -1.0642 | |
| 35 | E | A | -1.4589 | |
| 36 | E | A | -2.1286 | |
| 37 | S | A | 0.0000 | |
| 38 | G | A | -0.9331 | |
| 39 | P | A | -0.5821 | |
| 40 | E | A | 0.0000 | |
| 41 | E | A | 0.0000 | |
| 42 | S | A | -1.1371 | |
| 43 | G | A | -0.9250 | |
| 44 | P | A | -0.9857 | |
| 45 | E | A | -2.0304 | |
| 46 | E | A | -2.2965 | |
| 47 | L | A | -1.2975 | |
| 48 | G | A | -1.3628 | |
| 49 | A | A | -2.3952 | |
| 50 | E | A | -2.4598 | |
| 51 | E | A | -3.0694 | |
| 52 | E | A | -2.3829 | |
| 53 | M | A | 0.0000 | |
| 54 | E | A | -2.8215 | |
| 55 | A | A | -2.1654 | |
| 56 | G | A | -2.3067 | |
| 57 | R | A | -2.7716 | |
| 58 | P | A | -1.6154 | |
| 59 | R | A | 0.0000 | |
| 60 | P | A | -0.4293 | |
| 61 | V | A | 0.3099 | |
| 62 | L | A | 0.0000 | |
| 63 | R | A | -0.5374 | |
| 64 | S | A | 0.0000 | |
| 65 | V | A | -0.4917 | |
| 66 | N | A | -1.2112 | |
| 67 | S | A | -1.5474 | |
| 68 | R | A | -2.6309 | |
| 69 | E | A | -2.4277 | |
| 70 | P | A | -1.6764 | |
| 71 | S | A | 0.0000 | |
| 72 | Q | A | -1.1269 | |
| 73 | V | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | C | A | 0.0000 | |
| 77 | N | A | 0.0000 | |
| 78 | R | A | -1.0169 | |
| 79 | S | A | 0.0000 | |
| 80 | P | A | -0.4379 | |
| 81 | R | A | -0.2038 | |
| 82 | V | A | 0.5176 | |
| 83 | V | A | 0.0000 | |
| 84 | L | A | 0.0130 | |
| 85 | P | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | W | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | N | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | D | A | -1.5546 | |
| 92 | G | A | -1.2194 | |
| 93 | E | A | -2.3642 | |
| 94 | P | A | -1.4624 | |
| 95 | Q | A | -1.7256 | |
| 96 | P | A | -0.8724 | |
| 97 | Y | A | 0.0000 | |
| 98 | P | A | -0.2356 | |
| 99 | T | A | 0.1331 | |
| 100 | L | A | 0.0000 | |
| 101 | P | A | -0.0853 | |
| 102 | P | A | -0.4880 | |
| 103 | G | A | -0.9674 | |
| 104 | T | A | -0.9739 | |
| 105 | G | A | 0.0000 | |
| 106 | R | A | 0.0000 | |
| 107 | R | A | -1.8340 | |
| 108 | I | A | 0.0000 | |
| 109 | H | A | -1.1399 | |
| 110 | S | A | 0.0000 | |
| 111 | Y | A | -1.3031 | |
| 112 | R | A | -1.4841 | |
| 113 | G | A | -0.4401 | |
| 114 | H | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | W | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | R | A | -0.4152 | |
| 120 | D | A | 0.0000 | |
| 121 | A | A | -0.2360 | |
| 122 | G | A | -0.6253 | |
| 123 | T | A | -0.2480 | |
| 124 | H | A | -1.1926 | |
| 125 | D | A | 0.0000 | |
| 126 | G | A | -0.5396 | |
| 127 | L | A | 0.0000 | |
| 128 | L | A | -0.2511 | |
| 129 | V | A | 0.0000 | |
| 130 | N | A | -1.4779 | |
| 131 | Q | A | -1.5693 | |
| 132 | T | A | -1.0832 | |
| 133 | E | A | -0.9356 | |
| 134 | L | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | V | A | 1.2992 | |
| 137 | P | A | 0.0000 | |
| 138 | S | A | 0.1878 | |
| 139 | L | A | 0.1036 | |
| 140 | N | A | -0.2627 | |
| 141 | V | A | 0.5679 | |
| 142 | D | A | -1.4291 | |
| 143 | G | A | -1.2171 | |
| 144 | Q | A | -1.1730 | |
| 145 | P | A | -0.6179 | |
| 146 | I | A | 0.1861 | |
| 147 | F | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | N | A | -0.8844 | |
| 150 | I | A | 0.0000 | |
| 151 | T | A | -0.2862 | |
| 152 | L | A | 0.5068 | |
| 153 | P | A | 0.8959 | |
| 154 | V | A | 1.8019 | |
| 155 | Y | A | 0.4906 | |
| 156 | T | A | -0.0629 | |
| 157 | L | A | 0.1795 | |
| 158 | K | A | -1.7257 | |
| 159 | E | A | -1.7089 | |
| 160 | R | A | -1.3735 | |
| 161 | C | A | -0.2248 | |
| 162 | L | A | 0.0000 | |
| 163 | Q | A | 0.0000 | |
| 164 | V | A | 1.8057 | |
| 165 | V | A | 1.2873 | |
| 166 | R | A | 0.1088 | |
| 167 | S | A | 0.8120 | |
| 168 | L | A | 1.7181 | |
| 169 | V | A | -0.1434 | |
| 170 | K | A | -2.0627 | |
| 171 | P | A | -2.4963 | |
| 172 | E | A | -3.3717 | |
| 173 | N | A | -3.0094 | |
| 174 | Y | A | 0.0000 | |
| 175 | R | A | -3.6737 | |
| 176 | R | A | -3.2757 | |
| 177 | L | A | -1.6740 | |
| 178 | D | A | -1.8168 | |
| 179 | I | A | 0.0399 | |
| 180 | V | A | 0.8608 | |
| 181 | R | A | -1.6145 | |
| 182 | S | A | -0.8922 | |
| 183 | L | A | -1.1992 | |
| 184 | Y | A | -2.2410 | |
| 185 | E | A | -3.5910 | |
| 186 | D | A | -3.3102 | |
| 187 | L | A | 0.0000 | |
| 188 | E | A | -3.2200 | |
| 189 | D | A | -3.4538 | |
| 190 | H | A | -2.5942 | |
| 191 | P | A | -1.7815 | |
| 192 | N | A | -1.8207 | |
| 193 | V | A | 0.0000 | |
| 194 | Q | A | -2.1654 | |
| 195 | K | A | -2.9558 | |
| 196 | D | A | 0.0000 | |
| 197 | L | A | -1.8820 | |
| 198 | E | A | -3.4026 | |
| 199 | R | A | -3.0273 | |
| 200 | L | A | -1.8601 | |
| 201 | T | A | -2.6260 | |
| 202 | Q | A | -2.9111 | |
| 203 | E | A | -3.0262 | |
| 204 | R | A | -2.7501 | |
| 205 | I | A | -2.1584 | |
| 206 | A | A | -1.8607 | |
| 207 | H | A | -2.2155 | |
| 208 | Q | A | -2.1843 | |
| 209 | R | A | -1.9571 | |
| 210 | M | A | -0.8884 | |
| 211 | G | A | -1.8732 | |
| 212 | D | A | -2.6242 | |
| 213 | L | A | -0.6610 | |
| 214 | E | A | -2.1775 | |
| 215 | G | A | -2.1260 | |
| 216 | G | A | -2.2112 | |
| 217 | G | A | -1.7590 | |
| 218 | G | A | -1.5379 | |
| 219 | S | A | -0.8754 | |
| 220 | A | A | -0.9376 | |
| 221 | A | A | -1.3823 | |
| 222 | A | A | -1.6726 | |
| 223 | D | A | -2.6850 | |
| 224 | L | A | -2.2971 | |
| 225 | G | A | 0.0000 | |
| 226 | K | A | -3.7538 | |
| 227 | K | A | -3.3082 | |
| 228 | L | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -2.2983 | |
| 231 | A | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | R | A | -0.8443 | |
| 234 | A | A | -0.6574 | |
| 235 | G | A | 0.0000 | |
| 236 | Q | A | -1.3300 | |
| 237 | D | A | -1.5400 | |
| 238 | D | A | -1.9290 | |
| 239 | E | A | -1.9482 | |
| 240 | V | A | 0.0000 | |
| 241 | R | A | -2.1046 | |
| 242 | I | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | M | A | -1.1915 | |
| 245 | A | A | -0.8830 | |
| 246 | N | A | -1.4666 | |
| 247 | G | A | -0.8970 | |
| 248 | A | A | 0.0000 | |
| 249 | D | A | -2.4391 | |
| 250 | V | A | -1.5597 | |
| 251 | N | A | -1.8404 | |
| 252 | A | A | -1.8616 | |
| 253 | H | A | -1.6418 | |
| 254 | D | A | -1.0778 | |
| 255 | T | A | 0.0346 | |
| 256 | F | A | 0.5667 | |
| 257 | G | A | -0.4620 | |
| 258 | F | A | 0.0000 | |
| 259 | T | A | 0.0000 | |
| 260 | P | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | H | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | Y | A | 0.0000 | |
| 268 | G | A | 0.0000 | |
| 269 | H | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | E | A | -1.2231 | |
| 272 | I | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | E | A | -1.4670 | |
| 275 | V | A | -1.3813 | |
| 276 | L | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | K | A | -2.3958 | |
| 279 | N | A | -2.5915 | |
| 280 | G | A | -2.0471 | |
| 281 | A | A | -1.8632 | |
| 282 | D | A | -2.0134 | |
| 283 | V | A | -1.3052 | |
| 284 | N | A | -1.8194 | |
| 285 | A | A | -1.8005 | |
| 286 | D | A | -2.0106 | |
| 287 | D | A | 0.0000 | |
| 288 | S | A | -0.3957 | |
| 289 | Y | A | -0.7069 | |
| 290 | G | A | -1.4390 | |
| 291 | R | A | 0.0000 | |
| 292 | T | A | 0.0000 | |
| 293 | P | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | H | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | M | A | 0.0000 | |
| 300 | R | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | H | A | 0.0000 | |
| 303 | L | A | -1.5167 | |
| 304 | E | A | -1.5248 | |
| 305 | I | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | E | A | -1.9132 | |
| 308 | V | A | -1.2902 | |
| 309 | L | A | 0.0000 | |
| 310 | L | A | -1.5752 | |
| 311 | K | A | -1.9533 | |
| 312 | Y | A | -1.3146 | |
| 313 | G | A | -1.2595 | |
| 314 | A | A | 0.0000 | |
| 315 | D | A | -1.9307 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -1.5634 | |
| 318 | A | A | -1.0706 | |
| 319 | A | A | -1.1437 | |
| 320 | D | A | 0.0000 | |
| 321 | E | A | -2.2500 | |
| 322 | E | A | -1.8819 | |
| 323 | G | A | -1.6273 | |
| 324 | R | A | 0.0000 | |
| 325 | T | A | 0.0000 | |
| 326 | P | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | H | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | K | A | -1.2115 | |
| 333 | R | A | -0.9510 | |
| 334 | G | A | -1.1919 | |
| 335 | H | A | -1.0212 | |
| 336 | L | A | -1.3113 | |
| 337 | E | A | -2.0968 | |
| 338 | I | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | E | A | -2.1987 | |
| 341 | V | A | -1.9352 | |
| 342 | L | A | 0.0000 | |
| 343 | L | A | -1.7300 | |
| 344 | K | A | -2.5296 | |
| 345 | N | A | -2.9618 | |
| 346 | G | A | -1.9809 | |
| 347 | A | A | -1.9436 | |
| 348 | D | A | -2.0225 | |
| 349 | V | A | -1.3367 | |
| 350 | N | A | -2.0486 | |
| 351 | A | A | -1.9275 | |
| 352 | Q | A | -2.2026 | |
| 353 | D | A | -1.7861 | |
| 354 | K | A | -1.7694 | |
| 355 | F | A | 0.3790 | |
| 356 | G | A | -0.8329 | |
| 357 | K | A | -1.5748 | |
| 358 | T | A | -1.1749 | |
| 359 | A | A | 0.0000 | |
| 360 | F | A | -1.0610 | |
| 361 | D | A | -1.1514 | |
| 362 | I | A | -0.7499 | |
| 363 | S | A | 0.0000 | |
| 364 | I | A | -0.3272 | |
| 365 | D | A | -1.8288 | |
| 366 | N | A | -1.8342 | |
| 367 | G | A | -1.6616 | |
| 368 | N | A | -2.2702 | |
| 369 | E | A | -3.2176 | |
| 370 | D | A | -3.2249 | |
| 371 | L | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | E | A | -3.3250 | |
| 374 | I | A | -2.1633 | |
| 375 | L | A | 0.0000 | |
| 376 | Q | A | -2.7737 | |
| 377 | K | A | -2.5029 |
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