| Chain sequence(s) |
A: MKKSVYIIGSKGIPAKYGGFETFVEKLTAFQQDKAIQYYVACMRENSAKSGTTEDVFEHNGAICYNVDVPNFGPARAIAYDIAAINRAIEIAKENKDEDPIFYILACRIGPFIHGIKKKIQEIGGTLLVNPDGHEWLRAKWSAPVRRYWKISEGLMVKHADLLVCDSKNIEKYIQEDYKQYQPKTTYIAYGTDTTRSVLKSSDEKVRSWFKEKNVSENEYYLVVGRFVPENNYESMIRGFLASNSKKDFVLITNVEQNKFYNQLLAKTGFAKDPRVKFVGTVYEQELLKYIRENAFAYFHGHEVGGTNPSLLEALASTKLNLLLDVGFNREVAEDGAIYWKKDNLHEIIETSEQKTQKEIDEKDILSIKQVTERFSWELIVNEYEKLFLCEK
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 (00:08:56)
[INFO] Main: Simulation completed successfully. (00:08:58)
|
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 | -0.1493 | |
| 2 | K | A | -1.8710 | |
| 3 | K | A | -1.3882 | |
| 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 | -1.0358 | |
| 12 | G | A | 0.0000 | |
| 13 | I | A | 0.0000 | |
| 14 | P | A | -0.7284 | |
| 15 | A | A | -0.6582 | |
| 16 | K | A | -1.2243 | |
| 17 | Y | A | -0.0911 | |
| 18 | G | A | -0.4542 | |
| 19 | G | A | -0.5213 | |
| 20 | F | A | -0.2562 | |
| 21 | E | A | 0.0000 | |
| 22 | T | A | -0.3876 | |
| 23 | F | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | E | A | -0.6042 | |
| 26 | K | A | -0.6308 | |
| 27 | L | A | 0.0000 | |
| 28 | T | A | 0.0000 | |
| 29 | A | A | -0.3753 | |
| 30 | F | A | -0.5374 | |
| 31 | Q | A | -1.4762 | |
| 32 | Q | A | -2.0206 | |
| 33 | D | A | -2.3803 | |
| 34 | K | A | -2.7273 | |
| 35 | A | A | -1.5811 | |
| 36 | I | A | 0.0000 | |
| 37 | Q | A | -0.9663 | |
| 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 | -1.4009 | |
| 53 | T | A | -1.7192 | |
| 54 | E | A | -2.1827 | |
| 55 | D | A | -2.0314 | |
| 56 | V | A | 0.1756 | |
| 57 | F | A | -0.5969 | |
| 58 | E | A | -1.4538 | |
| 59 | H | A | -1.3067 | |
| 60 | N | A | -1.1574 | |
| 61 | G | A | -1.3448 | |
| 62 | A | A | 0.0000 | |
| 63 | I | A | 0.1203 | |
| 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 | -1.1961 | |
| 87 | R | A | -1.7309 | |
| 88 | A | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | E | A | -3.4802 | |
| 91 | I | A | -2.5244 | |
| 92 | A | A | 0.0000 | |
| 93 | K | A | -3.9907 | |
| 94 | E | A | -3.8875 | |
| 95 | N | A | -3.5839 | |
| 96 | K | A | -3.9357 | |
| 97 | D | A | -3.0780 | |
| 98 | E | A | -2.9602 | |
| 99 | D | A | -2.0101 | |
| 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 | 0.2732 | |
| 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 | -2.2053 | |
| 118 | K | A | -3.5183 | |
| 119 | K | A | -3.3586 | |
| 120 | I | A | 0.0000 | |
| 121 | Q | A | -3.1446 | |
| 122 | E | A | -3.1931 | |
| 123 | I | A | -2.4797 | |
| 124 | G | A | -2.0901 | |
| 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 | -1.4022 | |
| 133 | G | A | -0.7528 | |
| 134 | H | A | -0.3665 | |
| 135 | E | A | -0.6622 | |
| 136 | W | A | -0.2805 | |
| 137 | L | A | 0.0696 | |
| 138 | R | A | -0.6043 | |
| 139 | A | A | -0.8175 | |
| 140 | K | A | -1.6378 | |
| 141 | W | A | -0.8486 | |
| 142 | S | A | -0.7130 | |
| 143 | A | A | -0.6387 | |
| 144 | P | A | -0.7238 | |
| 145 | V | A | -0.2669 | |
| 146 | R | A | -1.0319 | |
| 147 | R | A | -1.3216 | |
| 148 | Y | A | -0.0216 | |
| 149 | W | A | 0.0913 | |
| 150 | K | A | 0.0474 | |
| 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 | -1.9794 | |
| 159 | H | A | -1.1087 | |
| 160 | A | A | -0.9003 | |
| 161 | D | A | -0.9368 | |
| 162 | L | A | -0.7610 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | C | A | 0.0000 | |
| 166 | D | A | -0.8002 | |
| 167 | S | A | 0.0000 | |
| 168 | K | A | -1.7361 | |
| 169 | N | A | -1.3573 | |
| 170 | I | A | 0.0000 | |
| 171 | E | A | 0.0000 | |
| 172 | K | A | -2.2331 | |
| 173 | Y | A | -1.9779 | |
| 174 | I | A | 0.0000 | |
| 175 | Q | A | -3.4574 | |
| 176 | E | A | -3.8402 | |
| 177 | D | A | -2.9871 | |
| 178 | Y | A | 0.0000 | |
| 179 | K | A | -4.0583 | |
| 180 | Q | A | -2.8757 | |
| 181 | Y | A | -2.0995 | |
| 182 | Q | A | -2.9582 | |
| 183 | P | A | -2.6236 | |
| 184 | K | A | -2.4084 | |
| 185 | T | A | -1.3110 | |
| 186 | T | A | -0.3612 | |
| 187 | Y | A | -0.3072 | |
| 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 | -1.0860 | |
| 194 | T | A | -0.6792 | |
| 195 | T | A | -0.7606 | |
| 196 | R | A | -1.1171 | |
| 197 | S | A | -0.3713 | |
| 198 | V | A | 1.0282 | |
| 199 | L | A | -0.6857 | |
| 200 | K | A | -2.0115 | |
| 201 | S | A | -1.8871 | |
| 202 | S | A | -1.9281 | |
| 203 | D | A | -2.7944 | |
| 204 | E | A | -3.3192 | |
| 205 | K | A | -3.0522 | |
| 206 | V | A | 0.0000 | |
| 207 | R | A | -2.9883 | |
| 208 | S | A | -2.7981 | |
| 209 | W | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | K | A | -3.5908 | |
| 212 | E | A | -3.4174 | |
| 213 | K | A | -2.6858 | |
| 214 | N | A | -2.8455 | |
| 215 | V | A | 0.0000 | |
| 216 | S | A | -1.9724 | |
| 217 | E | A | -1.6851 | |
| 218 | N | A | -2.3316 | |
| 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 | -0.3455 | |
| 225 | G | A | -1.0115 | |
| 226 | R | A | -1.9514 | |
| 227 | F | A | 0.0000 | |
| 228 | V | A | -0.6901 | |
| 229 | P | A | -0.8756 | |
| 230 | E | A | -1.0225 | |
| 231 | N | A | 0.0000 | |
| 232 | N | A | -0.7659 | |
| 233 | Y | A | 0.0000 | |
| 234 | E | A | -1.3875 | |
| 235 | S | A | 0.0000 | |
| 236 | M | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | R | A | -1.7898 | |
| 239 | G | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | L | A | -0.3306 | |
| 242 | A | A | -0.7191 | |
| 243 | S | A | 0.0000 | |
| 244 | N | A | -2.0893 | |
| 245 | S | A | 0.0000 | |
| 246 | K | A | -2.4699 | |
| 247 | K | A | -2.1927 | |
| 248 | D | A | -1.6304 | |
| 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 | -1.4313 | |
| 255 | V | A | -1.2363 | |
| 256 | E | A | -2.7389 | |
| 257 | Q | A | -2.7561 | |
| 258 | N | A | -2.6868 | |
| 259 | K | A | -2.9198 | |
| 260 | F | A | -1.7880 | |
| 261 | Y | A | -2.1019 | |
| 262 | N | A | -2.8542 | |
| 263 | Q | A | -2.4759 | |
| 264 | L | A | 0.0000 | |
| 265 | L | A | -1.1337 | |
| 266 | A | A | -1.1360 | |
| 267 | K | A | -2.0174 | |
| 268 | T | A | -1.3090 | |
| 269 | G | A | -1.1266 | |
| 270 | F | A | 0.0000 | |
| 271 | A | A | -0.8032 | |
| 272 | K | A | -1.8419 | |
| 273 | D | A | -1.2450 | |
| 274 | P | A | -0.9720 | |
| 275 | R | A | -1.0584 | |
| 276 | V | A | -0.4181 | |
| 277 | K | A | -0.4721 | |
| 278 | F | A | 0.1800 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | -0.2135 | |
| 281 | T | A | -0.0876 | |
| 282 | V | A | 0.1374 | |
| 283 | Y | A | 0.4200 | |
| 284 | E | A | -1.2802 | |
| 285 | Q | A | -1.3894 | |
| 286 | E | A | -0.7333 | |
| 287 | L | A | -0.7092 | |
| 288 | L | A | -0.4722 | |
| 289 | K | A | -0.9477 | |
| 290 | Y | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | R | A | 0.0000 | |
| 293 | E | A | -1.0295 | |
| 294 | N | A | -1.2797 | |
| 295 | A | A | 0.0000 | |
| 296 | F | A | -1.1962 | |
| 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 | -0.6991 | |
| 303 | E | A | -0.7830 | |
| 304 | V | A | -0.0519 | |
| 305 | G | A | -0.4167 | |
| 306 | G | A | -0.8100 | |
| 307 | T | A | 0.0000 | |
| 308 | N | A | -0.4109 | |
| 309 | P | A | -0.5318 | |
| 310 | S | A | -0.3989 | |
| 311 | L | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | E | A | -0.8831 | |
| 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 | -0.7849 | |
| 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 | -1.0886 | |
| 326 | V | A | -0.6492 | |
| 327 | G | A | -0.9756 | |
| 328 | F | A | -0.7586 | |
| 329 | N | A | 0.0000 | |
| 330 | R | A | -2.0832 | |
| 331 | E | A | -1.6654 | |
| 332 | V | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -2.6558 | |
| 335 | D | A | -2.7693 | |
| 336 | G | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | I | A | -0.3688 | |
| 339 | Y | A | -0.6293 | |
| 340 | W | A | 0.0000 | |
| 341 | K | A | -2.6410 | |
| 342 | K | A | -2.9946 | |
| 343 | D | A | -3.3799 | |
| 344 | N | A | -2.7628 | |
| 345 | L | A | 0.0000 | |
| 346 | H | A | -2.2117 | |
| 347 | E | A | -2.5471 | |
| 348 | I | A | -1.2366 | |
| 349 | I | A | 0.0000 | |
| 350 | E | A | -2.0768 | |
| 351 | T | A | -1.4997 | |
| 352 | S | A | 0.0000 | |
| 353 | E | A | -1.7160 | |
| 354 | Q | A | -2.1391 | |
| 355 | K | A | -2.0902 | |
| 356 | T | A | -2.1174 | |
| 357 | Q | A | -2.9040 | |
| 358 | K | A | -3.4188 | |
| 359 | E | A | -3.0871 | |
| 360 | I | A | -2.1739 | |
| 361 | D | A | -2.2274 | |
| 362 | E | A | -2.6787 | |
| 363 | K | A | -1.6678 | |
| 364 | D | A | 0.0000 | |
| 365 | I | A | 0.7460 | |
| 366 | L | A | -0.3922 | |
| 367 | S | A | 0.0000 | |
| 368 | I | A | 0.0626 | |
| 369 | K | A | -1.0170 | |
| 370 | Q | A | -1.3969 | |
| 371 | V | A | 0.0000 | |
| 372 | T | A | -1.5053 | |
| 373 | E | A | -2.3140 | |
| 374 | R | A | -1.7011 | |
| 375 | F | A | 0.0000 | |
| 376 | S | A | -1.0780 | |
| 377 | W | A | 0.0000 | |
| 378 | E | A | -1.7957 | |
| 379 | L | A | -1.0575 | |
| 380 | I | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | N | A | -1.7398 | |
| 383 | E | A | -1.5558 | |
| 384 | Y | A | 0.0000 | |
| 385 | E | A | 0.0000 | |
| 386 | K | A | -1.6926 | |
| 387 | L | A | -0.7609 | |
| 388 | F | A | 0.0000 | |
| 389 | L | A | -0.5078 | |
| 390 | C | A | -0.6632 | |
| 391 | E | A | -2.3083 | |
| 392 | K | A | -2.2921 |
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