| Chain sequence(s) |
A: MKKSVYIIGSKGIPAKYGGFETFVEKLTAFQQDKAIQYYVACMRENSAKSGTTEDVFEHNGAICYNVDVPNFGPARAIAYDIAAINRAIEIAKENKAEDPIFYILACRIGPFIHGIKKKIQEIGGTLLVNPDGHEWLRAKWSAPVRRYWKISEGLMVKHADLLVCDSKNIEKYIQEDYKQYQPKTTYIAYGTDTTRSVLKSSDEKVRSWFKEKNVSENEYYLVVGRFVPENNYESMIRGFLASNSKKDFVLITNVEQNKFYNQLLAKTGFDKDPRVKFVGTVYEQELLKYIRENAFAYFHGHEVGGTNPSLLEALASTKLNLLLDVGFNREVAEDGAIYWKKDNLHEIIETSEQKTQKEIDEKDILSIKQVTERFSWELIVNEYEKLFLCEK
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:49)
[INFO] Main: Simulation completed successfully. (00:09:51)
|
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 | -0.0242 | |
| 2 | K | A | -1.6589 | |
| 3 | K | A | -1.2077 | |
| 4 | S | A | 0.0000 | |
| 5 | V | A | 0.0000 | |
| 6 | Y | A | 0.0000 | |
| 7 | I | A | 0.0000 | |
| 8 | I | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | S | A | 0.0000 | |
| 11 | K | A | -1.0360 | |
| 12 | G | A | 0.0000 | |
| 13 | I | A | 0.0000 | |
| 14 | P | A | -0.7285 | |
| 15 | A | A | -0.6578 | |
| 16 | K | A | -1.2238 | |
| 17 | Y | A | -0.0902 | |
| 18 | G | A | -0.4520 | |
| 19 | G | A | -0.5148 | |
| 20 | F | A | -0.2527 | |
| 21 | E | A | 0.0000 | |
| 22 | T | A | -0.3867 | |
| 23 | F | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | E | A | -0.6040 | |
| 26 | K | A | -0.6277 | |
| 27 | L | A | 0.0000 | |
| 28 | T | A | 0.0000 | |
| 29 | A | A | -0.3746 | |
| 30 | F | A | -0.5205 | |
| 31 | Q | A | -1.4595 | |
| 32 | Q | A | -2.0004 | |
| 33 | D | A | -2.3768 | |
| 34 | K | A | -2.6913 | |
| 35 | A | A | -1.5104 | |
| 36 | I | A | 0.0000 | |
| 37 | Q | A | -0.8813 | |
| 38 | Y | A | 0.0000 | |
| 39 | Y | A | 0.0000 | |
| 40 | V | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | C | A | 0.0000 | |
| 43 | M | A | -1.2772 | |
| 44 | R | A | -2.5438 | |
| 45 | E | A | -2.7829 | |
| 46 | N | A | 0.0000 | |
| 47 | S | A | 0.0000 | |
| 48 | A | A | -1.9471 | |
| 49 | K | A | -2.5085 | |
| 50 | S | A | -1.5102 | |
| 51 | G | A | -1.4319 | |
| 52 | T | A | -1.4017 | |
| 53 | T | A | -1.7198 | |
| 54 | E | A | -2.1839 | |
| 55 | D | A | -2.0324 | |
| 56 | V | A | 0.2028 | |
| 57 | F | A | -0.5641 | |
| 58 | E | A | -1.4053 | |
| 59 | H | A | -1.2763 | |
| 60 | N | A | -1.1376 | |
| 61 | G | A | -1.3126 | |
| 62 | A | A | 0.0000 | |
| 63 | I | A | 0.2564 | |
| 64 | C | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | N | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | D | A | -2.4624 | |
| 69 | V | A | -1.1405 | |
| 70 | P | A | -0.7989 | |
| 71 | N | A | -0.8904 | |
| 72 | F | A | 0.8263 | |
| 73 | G | A | -0.0470 | |
| 74 | P | A | -0.2069 | |
| 75 | A | A | 0.0215 | |
| 76 | R | A | -0.0846 | |
| 77 | A | A | -0.0207 | |
| 78 | I | A | 0.4540 | |
| 79 | A | A | 0.0764 | |
| 80 | Y | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | I | A | 0.4679 | |
| 83 | A | A | -0.3259 | |
| 84 | A | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | N | A | -1.1938 | |
| 87 | R | A | -1.7263 | |
| 88 | A | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | E | A | -3.5149 | |
| 91 | I | A | -2.5547 | |
| 92 | A | A | 0.0000 | |
| 93 | K | A | -4.0198 | |
| 94 | E | A | -3.9846 | |
| 95 | N | A | -3.7978 | |
| 96 | K | A | -3.9500 | |
| 97 | A | A | -2.8807 | |
| 98 | E | A | -2.8311 | |
| 99 | D | A | -1.9111 | |
| 100 | P | A | 0.0000 | |
| 101 | I | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | C | A | 0.0000 | |
| 108 | R | A | 0.2751 | |
| 109 | I | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | P | A | 0.7336 | |
| 112 | F | A | 0.9358 | |
| 113 | I | A | 0.0000 | |
| 114 | H | A | -1.3556 | |
| 115 | G | A | -1.2528 | |
| 116 | I | A | 0.0000 | |
| 117 | K | A | -2.2051 | |
| 118 | K | A | -3.5196 | |
| 119 | K | A | -3.3600 | |
| 120 | I | A | 0.0000 | |
| 121 | Q | A | -3.1463 | |
| 122 | E | A | -3.1964 | |
| 123 | I | A | -2.4388 | |
| 124 | G | A | -2.0626 | |
| 125 | G | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | N | A | 0.0000 | |
| 131 | P | A | 0.0000 | |
| 132 | D | A | -1.3787 | |
| 133 | G | A | -0.7383 | |
| 134 | H | A | -0.3549 | |
| 135 | E | A | -0.6423 | |
| 136 | W | A | -0.2724 | |
| 137 | L | A | 0.0745 | |
| 138 | R | A | -0.5992 | |
| 139 | A | A | -0.8154 | |
| 140 | K | A | -1.6360 | |
| 141 | W | A | -0.8463 | |
| 142 | S | A | -0.7130 | |
| 143 | A | A | -0.6387 | |
| 144 | P | A | -0.7238 | |
| 145 | V | A | -0.2651 | |
| 146 | R | A | -1.0289 | |
| 147 | R | A | -1.3216 | |
| 148 | Y | A | -0.0216 | |
| 149 | W | A | 0.0951 | |
| 150 | K | A | 0.0501 | |
| 151 | I | A | 1.5159 | |
| 152 | S | A | 0.0000 | |
| 153 | E | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | L | A | 0.3920 | |
| 156 | M | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | K | A | -1.9791 | |
| 159 | H | A | -1.1082 | |
| 160 | A | A | -0.8993 | |
| 161 | D | A | -0.9347 | |
| 162 | L | A | -0.7600 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | C | A | 0.0000 | |
| 166 | D | A | -0.7857 | |
| 167 | S | A | 0.0000 | |
| 168 | K | A | -1.7590 | |
| 169 | N | A | -1.3683 | |
| 170 | I | A | 0.0000 | |
| 171 | E | A | 0.0000 | |
| 172 | K | A | -2.2352 | |
| 173 | Y | A | -1.9821 | |
| 174 | I | A | 0.0000 | |
| 175 | Q | A | -3.4598 | |
| 176 | E | A | -3.8408 | |
| 177 | D | A | -2.9875 | |
| 178 | Y | A | 0.0000 | |
| 179 | K | A | -4.0596 | |
| 180 | Q | A | -2.8762 | |
| 181 | Y | A | -2.1001 | |
| 182 | Q | A | -2.9590 | |
| 183 | P | A | -2.6243 | |
| 184 | K | A | -2.4086 | |
| 185 | T | A | -1.3059 | |
| 186 | T | A | -0.3461 | |
| 187 | Y | A | -0.3075 | |
| 188 | I | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | Y | A | 0.0000 | |
| 191 | G | A | 0.0000 | |
| 192 | T | A | 0.0000 | |
| 193 | D | A | -1.0771 | |
| 194 | T | A | -0.6722 | |
| 195 | T | A | -0.7467 | |
| 196 | R | A | -1.0915 | |
| 197 | S | A | -0.3606 | |
| 198 | V | A | 1.0327 | |
| 199 | L | A | -0.6847 | |
| 200 | K | A | -2.0075 | |
| 201 | S | A | -1.8830 | |
| 202 | S | A | -1.9175 | |
| 203 | D | A | -2.7736 | |
| 204 | E | A | -3.3288 | |
| 205 | K | A | -3.0995 | |
| 206 | V | A | 0.0000 | |
| 207 | R | A | -2.9963 | |
| 208 | S | A | -2.8132 | |
| 209 | W | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | K | A | -3.5969 | |
| 212 | E | A | -3.4174 | |
| 213 | K | A | -2.6853 | |
| 214 | N | A | -2.8453 | |
| 215 | V | A | 0.0000 | |
| 216 | S | A | -1.9724 | |
| 217 | E | A | -1.6861 | |
| 218 | N | A | -2.3327 | |
| 219 | E | A | -2.7405 | |
| 220 | Y | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | V | A | -0.3499 | |
| 225 | G | A | -1.0138 | |
| 226 | R | A | -1.9520 | |
| 227 | F | A | 0.0000 | |
| 228 | V | A | -0.6945 | |
| 229 | P | A | -0.8789 | |
| 230 | E | A | -1.0225 | |
| 231 | N | A | 0.0000 | |
| 232 | N | A | -0.7662 | |
| 233 | Y | A | 0.0000 | |
| 234 | E | A | -1.4036 | |
| 235 | S | A | 0.0000 | |
| 236 | M | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | R | A | -1.8194 | |
| 239 | G | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | L | A | -0.3711 | |
| 242 | A | A | -0.7600 | |
| 243 | S | A | 0.0000 | |
| 244 | N | A | -2.1204 | |
| 245 | S | A | 0.0000 | |
| 246 | K | A | -2.4697 | |
| 247 | K | A | -2.1923 | |
| 248 | D | A | -1.6301 | |
| 249 | F | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | N | A | -1.4284 | |
| 255 | V | A | -1.2396 | |
| 256 | E | A | -2.7443 | |
| 257 | Q | A | -2.7645 | |
| 258 | N | A | -2.6960 | |
| 259 | K | A | -2.9392 | |
| 260 | F | A | -1.8171 | |
| 261 | Y | A | -2.1591 | |
| 262 | N | A | -2.9136 | |
| 263 | Q | A | -2.5274 | |
| 264 | L | A | 0.0000 | |
| 265 | L | A | -1.6662 | |
| 266 | A | A | -1.4166 | |
| 267 | K | A | -2.0762 | |
| 268 | T | A | -1.6594 | |
| 269 | G | A | -1.8315 | |
| 270 | F | A | 0.0000 | |
| 271 | D | A | -2.7014 | |
| 272 | K | A | -2.7724 | |
| 273 | D | A | -1.8388 | |
| 274 | P | A | -1.3668 | |
| 275 | R | A | -1.2858 | |
| 276 | V | A | -0.7895 | |
| 277 | K | A | -0.7254 | |
| 278 | F | A | -0.0199 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | -0.2122 | |
| 281 | T | A | -0.1072 | |
| 282 | V | A | 0.0868 | |
| 283 | Y | A | 0.3379 | |
| 284 | E | A | -1.4497 | |
| 285 | Q | A | -1.4712 | |
| 286 | E | A | -0.7798 | |
| 287 | L | A | -0.7740 | |
| 288 | L | A | -0.5179 | |
| 289 | K | A | -0.9664 | |
| 290 | Y | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | R | A | 0.0000 | |
| 293 | E | A | -1.0364 | |
| 294 | N | A | -1.2861 | |
| 295 | A | A | 0.0000 | |
| 296 | F | A | -1.2017 | |
| 297 | A | A | 0.0000 | |
| 298 | Y | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | H | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | H | A | -0.7016 | |
| 303 | E | A | -0.7847 | |
| 304 | V | A | -0.0523 | |
| 305 | G | A | -0.4109 | |
| 306 | G | A | -0.8106 | |
| 307 | T | A | 0.0000 | |
| 308 | N | A | -0.4092 | |
| 309 | P | A | -0.5309 | |
| 310 | S | A | -0.4004 | |
| 311 | L | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | E | A | -0.8833 | |
| 314 | A | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | S | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | K | A | -0.7639 | |
| 320 | L | A | 0.0000 | |
| 321 | N | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | D | A | -1.0900 | |
| 326 | V | A | -0.6516 | |
| 327 | G | A | -0.9822 | |
| 328 | F | A | -0.7663 | |
| 329 | N | A | 0.0000 | |
| 330 | R | A | -2.0658 | |
| 331 | E | A | -1.6584 | |
| 332 | V | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -2.5810 | |
| 335 | D | A | -2.7247 | |
| 336 | G | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | I | A | -0.3657 | |
| 339 | Y | A | -0.6214 | |
| 340 | W | A | 0.0000 | |
| 341 | K | A | -2.6419 | |
| 342 | K | A | -2.9951 | |
| 343 | D | A | -3.3769 | |
| 344 | N | A | -2.7597 | |
| 345 | L | A | 0.0000 | |
| 346 | H | A | -2.3652 | |
| 347 | E | A | -2.6249 | |
| 348 | I | A | -1.3095 | |
| 349 | I | A | 0.0000 | |
| 350 | E | A | -2.1441 | |
| 351 | T | A | -1.5378 | |
| 352 | S | A | 0.0000 | |
| 353 | E | A | -1.7261 | |
| 354 | Q | A | -2.1372 | |
| 355 | K | A | -2.0795 | |
| 356 | T | A | -2.1066 | |
| 357 | Q | A | -2.8985 | |
| 358 | K | A | -3.4072 | |
| 359 | E | A | -3.0501 | |
| 360 | I | A | -2.1313 | |
| 361 | D | A | -2.1657 | |
| 362 | E | A | -2.5730 | |
| 363 | K | A | -1.5925 | |
| 364 | D | A | 0.0000 | |
| 365 | I | A | 0.9679 | |
| 366 | L | A | -0.2912 | |
| 367 | S | A | 0.0000 | |
| 368 | I | A | 0.0466 | |
| 369 | K | A | -1.1657 | |
| 370 | Q | A | -1.4474 | |
| 371 | V | A | 0.0000 | |
| 372 | T | A | -1.5750 | |
| 373 | E | A | -2.3765 | |
| 374 | R | A | -1.7217 | |
| 375 | F | A | 0.0000 | |
| 376 | S | A | -1.0631 | |
| 377 | W | A | 0.0000 | |
| 378 | E | A | -1.7890 | |
| 379 | L | A | -1.0898 | |
| 380 | I | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | N | A | -1.8537 | |
| 383 | E | A | -1.8692 | |
| 384 | Y | A | 0.0000 | |
| 385 | E | A | 0.0000 | |
| 386 | K | A | -1.9466 | |
| 387 | L | A | -0.9160 | |
| 388 | F | A | 0.0000 | |
| 389 | L | A | -0.5574 | |
| 390 | C | A | -0.7211 | |
| 391 | E | A | -2.3293 | |
| 392 | K | A | -2.2950 |
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