| Chain sequence(s) |
A: MKKSVYIIGSKGIPAKYGGFETFVEKLTAFQQDKAIQYYVACMRENSAKSGTTEDVFEHNGAICYNVDVPNFGPARAIAYDIAAINRAIEIAKENKDEAPIFYILACRIGPFIHGIKKKIQEIGGTLLVNPDGHEWLRAKWSAPVRRYWKISEGLMVKHADLLVCDSKNIEKYIQEDYKQYQPKTTYIAYGTDTTRSVLKSSDEKVRSWFKEKNVSENEYYLVVGRFVPENNYESMIRGFLASNSKKDFVLITNVEQNKFYNQLLAKTGFDKDPRVKFVGTVYEQELLKYIRENAFAYFHGHEVGGTNPSLLEALASTKLNLLLDVGFNREVAEDGAIYWKKDNLHEIIETSEQKTQKEIDEKDILSIKQVTERFSWELIVNEYEKLFLCEK
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:48)
[INFO] Main: Simulation completed successfully. (00:06:50)
|
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 | -0.1579 | |
| 2 | K | A | -1.8942 | |
| 3 | K | A | -1.3516 | |
| 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 | -0.7352 | |
| 15 | A | A | -0.6666 | |
| 16 | K | A | -1.2243 | |
| 17 | Y | A | -0.0911 | |
| 18 | G | A | -0.4542 | |
| 19 | G | A | -0.5216 | |
| 20 | F | A | -0.2633 | |
| 21 | E | A | 0.0000 | |
| 22 | T | A | -0.4061 | |
| 23 | F | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | E | A | -0.6366 | |
| 26 | K | A | -0.7196 | |
| 27 | L | A | 0.0000 | |
| 28 | T | A | 0.0000 | |
| 29 | A | A | -0.3992 | |
| 30 | F | A | -0.5412 | |
| 31 | Q | A | -1.4703 | |
| 32 | Q | A | -2.0004 | |
| 33 | D | A | -2.3897 | |
| 34 | K | A | -2.7306 | |
| 35 | A | A | -1.5991 | |
| 36 | I | A | 0.0000 | |
| 37 | Q | A | -0.9766 | |
| 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 | -1.1657 | |
| 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 | -3.9899 | |
| 94 | E | A | -3.8875 | |
| 95 | N | A | -3.5839 | |
| 96 | K | A | -3.8836 | |
| 97 | D | A | -2.9667 | |
| 98 | E | A | -2.7408 | |
| 99 | A | A | -1.5500 | |
| 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 | 0.2711 | |
| 109 | I | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | P | A | 0.7234 | |
| 112 | F | A | 0.9206 | |
| 113 | I | A | 0.0000 | |
| 114 | H | A | -1.4190 | |
| 115 | G | A | -1.2712 | |
| 116 | I | A | 0.0000 | |
| 117 | K | A | -2.2598 | |
| 118 | K | A | -3.5208 | |
| 119 | K | A | -3.3581 | |
| 120 | I | A | 0.0000 | |
| 121 | Q | A | -3.0808 | |
| 122 | E | A | -3.1825 | |
| 123 | I | A | -2.3751 | |
| 124 | G | A | -1.9057 | |
| 125 | G | A | 0.0000 | |
| 126 | T | A | -0.4857 | |
| 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 | -1.4057 | |
| 133 | G | A | -0.7613 | |
| 134 | H | A | -0.3764 | |
| 135 | E | A | -0.6817 | |
| 136 | W | A | -0.2894 | |
| 137 | L | A | 0.0585 | |
| 138 | R | A | -0.6192 | |
| 139 | A | A | -0.8213 | |
| 140 | K | A | -1.6400 | |
| 141 | W | A | -0.8518 | |
| 142 | S | A | -0.7134 | |
| 143 | A | A | -0.6382 | |
| 144 | P | A | -0.7234 | |
| 145 | V | A | -0.2679 | |
| 146 | R | A | -1.0355 | |
| 147 | R | A | -1.3212 | |
| 148 | Y | A | -0.0214 | |
| 149 | W | A | 0.0879 | |
| 150 | K | A | 0.0448 | |
| 151 | I | A | 1.5149 | |
| 152 | S | A | 0.0000 | |
| 153 | E | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | L | A | 0.3423 | |
| 156 | M | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | K | A | -2.1526 | |
| 159 | H | A | -1.2701 | |
| 160 | A | A | -1.1513 | |
| 161 | D | A | -1.3509 | |
| 162 | L | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | C | A | 0.0000 | |
| 166 | D | A | -0.7987 | |
| 167 | S | A | 0.0000 | |
| 168 | K | A | -1.8958 | |
| 169 | N | A | -1.5320 | |
| 170 | I | A | 0.0000 | |
| 171 | E | A | 0.0000 | |
| 172 | K | A | -2.7391 | |
| 173 | Y | A | -2.2116 | |
| 174 | I | A | 0.0000 | |
| 175 | Q | A | -3.6349 | |
| 176 | E | A | -3.9808 | |
| 177 | D | A | -3.0678 | |
| 178 | Y | A | 0.0000 | |
| 179 | K | A | -4.0654 | |
| 180 | Q | A | -2.8813 | |
| 181 | Y | A | -2.1113 | |
| 182 | Q | A | -2.9649 | |
| 183 | P | A | -2.7334 | |
| 184 | K | A | -2.5605 | |
| 185 | T | A | -1.4792 | |
| 186 | T | A | -0.3934 | |
| 187 | Y | A | -0.3721 | |
| 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 | -1.2269 | |
| 194 | T | A | -0.7066 | |
| 195 | T | A | -0.7674 | |
| 196 | R | A | -1.0962 | |
| 197 | S | A | -0.2859 | |
| 198 | V | A | 1.0394 | |
| 199 | L | A | -0.6798 | |
| 200 | K | A | -2.0180 | |
| 201 | S | A | -1.8938 | |
| 202 | S | A | -1.9385 | |
| 203 | D | A | -2.8131 | |
| 204 | E | A | -3.3208 | |
| 205 | K | A | -3.0343 | |
| 206 | V | A | 0.0000 | |
| 207 | R | A | -2.9921 | |
| 208 | S | A | -2.7909 | |
| 209 | W | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | K | A | -3.5797 | |
| 212 | E | A | -3.4015 | |
| 213 | K | A | -2.6508 | |
| 214 | N | A | -2.8286 | |
| 215 | V | A | 0.0000 | |
| 216 | S | A | -1.9424 | |
| 217 | E | A | -1.6613 | |
| 218 | N | A | -2.2916 | |
| 219 | E | A | -2.6526 | |
| 220 | Y | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | V | A | -0.3189 | |
| 225 | G | A | -1.0106 | |
| 226 | R | A | -1.9484 | |
| 227 | F | A | 0.0000 | |
| 228 | V | A | -0.6836 | |
| 229 | P | A | -0.8710 | |
| 230 | E | A | -1.0194 | |
| 231 | N | A | 0.0000 | |
| 232 | N | A | -0.7596 | |
| 233 | Y | A | 0.0000 | |
| 234 | E | A | -1.3905 | |
| 235 | S | A | 0.0000 | |
| 236 | M | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | R | A | -1.8158 | |
| 239 | G | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | L | A | -0.3512 | |
| 242 | A | A | -0.7328 | |
| 243 | S | A | 0.0000 | |
| 244 | N | A | -2.0998 | |
| 245 | S | A | 0.0000 | |
| 246 | K | A | -2.4575 | |
| 247 | K | A | -2.1594 | |
| 248 | D | A | -1.6126 | |
| 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 | -1.4301 | |
| 255 | V | A | -1.2397 | |
| 256 | E | A | -2.7443 | |
| 257 | Q | A | -2.7636 | |
| 258 | N | A | -2.6934 | |
| 259 | K | A | -2.9376 | |
| 260 | F | A | -1.8134 | |
| 261 | Y | A | -2.1530 | |
| 262 | N | A | -2.9094 | |
| 263 | Q | A | -2.5190 | |
| 264 | L | A | 0.0000 | |
| 265 | L | A | -1.6573 | |
| 266 | A | A | -1.4056 | |
| 267 | K | A | -2.0537 | |
| 268 | T | A | -1.6461 | |
| 269 | G | A | -1.8205 | |
| 270 | F | A | 0.0000 | |
| 271 | D | A | -2.6927 | |
| 272 | K | A | -2.7567 | |
| 273 | D | A | -1.8080 | |
| 274 | P | A | -1.3615 | |
| 275 | R | A | -1.3001 | |
| 276 | V | A | -0.7917 | |
| 277 | K | A | -0.7228 | |
| 278 | F | A | -0.0192 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | -0.2091 | |
| 281 | T | A | -0.0770 | |
| 282 | V | A | 0.2329 | |
| 283 | Y | A | 0.5527 | |
| 284 | E | A | -1.0075 | |
| 285 | Q | A | -1.0077 | |
| 286 | E | A | -0.5643 | |
| 287 | L | A | -0.5635 | |
| 288 | L | A | -0.2728 | |
| 289 | K | A | 0.0000 | |
| 290 | Y | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | R | A | 0.0000 | |
| 293 | E | A | -0.9947 | |
| 294 | N | A | -1.2488 | |
| 295 | A | A | 0.0000 | |
| 296 | F | A | -1.1752 | |
| 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 | -0.7051 | |
| 303 | E | A | -0.7973 | |
| 304 | V | A | -0.0731 | |
| 305 | G | A | -0.4280 | |
| 306 | G | A | -0.8182 | |
| 307 | T | A | 0.0000 | |
| 308 | N | A | -0.3741 | |
| 309 | P | A | -0.4787 | |
| 310 | S | A | -0.2940 | |
| 311 | L | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | E | A | -0.6104 | |
| 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 | -0.8192 | |
| 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 | -1.0959 | |
| 326 | V | A | -0.6560 | |
| 327 | G | A | -0.9802 | |
| 328 | F | A | -0.7654 | |
| 329 | N | A | 0.0000 | |
| 330 | R | A | -2.0881 | |
| 331 | E | A | -1.6727 | |
| 332 | V | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -2.6669 | |
| 335 | D | A | -2.7715 | |
| 336 | G | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | I | A | -0.3718 | |
| 339 | Y | A | -0.6349 | |
| 340 | W | A | 0.0000 | |
| 341 | K | A | -2.6589 | |
| 342 | K | A | -3.0049 | |
| 343 | D | A | -3.3905 | |
| 344 | N | A | -2.7767 | |
| 345 | L | A | 0.0000 | |
| 346 | H | A | -2.2532 | |
| 347 | E | A | -2.5726 | |
| 348 | I | A | -1.2594 | |
| 349 | I | A | 0.0000 | |
| 350 | E | A | -2.1146 | |
| 351 | T | A | -1.5175 | |
| 352 | S | A | 0.0000 | |
| 353 | E | A | -1.7191 | |
| 354 | Q | A | -2.1438 | |
| 355 | K | A | -2.0954 | |
| 356 | T | A | -2.1245 | |
| 357 | Q | A | -2.9166 | |
| 358 | K | A | -3.4352 | |
| 359 | E | A | -3.1082 | |
| 360 | I | A | -2.2080 | |
| 361 | D | A | -2.2806 | |
| 362 | E | A | -2.7175 | |
| 363 | K | A | -1.7258 | |
| 364 | D | A | 0.0000 | |
| 365 | I | A | 0.6122 | |
| 366 | L | A | -0.4975 | |
| 367 | S | A | 0.0000 | |
| 368 | I | A | -0.0415 | |
| 369 | K | A | -1.2649 | |
| 370 | Q | A | -1.5167 | |
| 371 | V | A | 0.0000 | |
| 372 | T | A | -1.6098 | |
| 373 | E | A | -2.3818 | |
| 374 | R | A | -1.7354 | |
| 375 | F | A | 0.0000 | |
| 376 | S | A | -1.1259 | |
| 377 | W | A | 0.0000 | |
| 378 | E | A | -1.8285 | |
| 379 | L | A | -1.1005 | |
| 380 | I | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | N | A | -1.8423 | |
| 383 | E | A | -1.8521 | |
| 384 | Y | A | 0.0000 | |
| 385 | E | A | 0.0000 | |
| 386 | K | A | -1.9114 | |
| 387 | L | A | -0.9027 | |
| 388 | F | A | 0.0000 | |
| 389 | L | A | -0.6098 | |
| 390 | C | A | -0.7233 | |
| 391 | E | A | -2.2893 | |
| 392 | K | A | -2.2987 |
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