| Chain sequence(s) |
A: MGLLSVMNQTKRAEAATGKLLKPKMASLGYKEDWLGTTKITGPIKRVKESDHGFNKALRGLLGPEVKEQRMRFIGKHPMGGALSTNLGHLGGEHVVDGEPAEEKLDIPDPERMSQHIKDTARFFRADEVGIGLLPEHAVYSHRGLDDNPFECNHKYAIGILIDQDLKTTLGSTGYDGISGAQSMMAYLNSAVVACSLAAYIRNLGYSARAHHARNYGILLPPTLVSAGLGEHARPGEVTIHPKLGFRTKAAVVTTDLPLVPDGPIDAGVKDFCAVCKKCAEHCPSGAISFDTNQKSYNGYERWVGDSDKCTEFRSANRDGSSCGRCMKVCPWHNKADNWSHSLGTFMGSRSKQGAKLLTDLDDMFGYGTEIVKKNQWWLEWPELY
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 (00:09:25)
[INFO] Main: Simulation completed successfully. (00:09:28)
|
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 | 1.7902 | |
| 2 | G | A | 1.7044 | |
| 3 | L | A | 2.9114 | |
| 4 | L | A | 2.7251 | |
| 5 | S | A | 1.5357 | |
| 6 | V | A | 1.6317 | |
| 7 | M | A | 0.8346 | |
| 8 | N | A | -1.0552 | |
| 9 | Q | A | -2.0651 | |
| 10 | T | A | -2.1148 | |
| 11 | K | A | -3.4081 | |
| 12 | R | A | -3.5590 | |
| 13 | A | A | -2.7998 | |
| 14 | E | A | -3.3276 | |
| 15 | A | A | -2.3886 | |
| 16 | A | A | -1.5115 | |
| 17 | T | A | -1.1491 | |
| 18 | G | A | -1.5815 | |
| 19 | K | A | -1.8057 | |
| 20 | L | A | -0.0028 | |
| 21 | L | A | -0.7751 | |
| 22 | K | A | -2.0628 | |
| 23 | P | A | -1.5510 | |
| 24 | K | A | -1.9459 | |
| 25 | M | A | -0.6805 | |
| 26 | A | A | 0.0029 | |
| 27 | S | A | 0.2496 | |
| 28 | L | A | 0.9222 | |
| 29 | G | A | 0.0846 | |
| 30 | Y | A | -0.4803 | |
| 31 | K | A | -2.5010 | |
| 32 | E | A | -3.6050 | |
| 33 | D | A | -2.9062 | |
| 34 | W | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | G | A | -0.3779 | |
| 37 | T | A | -0.9357 | |
| 38 | T | A | 0.0000 | |
| 39 | K | A | -1.8456 | |
| 40 | I | A | -0.6560 | |
| 41 | T | A | -0.5431 | |
| 42 | G | A | -0.5243 | |
| 43 | P | A | -0.8009 | |
| 44 | I | A | -1.0686 | |
| 45 | K | A | -2.0939 | |
| 46 | R | A | -1.4485 | |
| 47 | V | A | -0.9744 | |
| 48 | K | A | -1.8039 | |
| 49 | E | A | -1.6404 | |
| 50 | S | A | 0.0000 | |
| 51 | D | A | -2.3955 | |
| 52 | H | A | -1.3810 | |
| 53 | G | A | -1.0617 | |
| 54 | F | A | -0.4454 | |
| 55 | N | A | -0.8468 | |
| 56 | K | A | -0.9181 | |
| 57 | A | A | 0.0000 | |
| 58 | L | A | -0.6162 | |
| 59 | R | A | -1.3295 | |
| 60 | G | A | -0.9164 | |
| 61 | L | A | 0.7885 | |
| 62 | L | A | -0.3935 | |
| 63 | G | A | -0.9413 | |
| 64 | P | A | -1.7657 | |
| 65 | E | A | -2.9076 | |
| 66 | V | A | 0.0000 | |
| 67 | K | A | -2.2906 | |
| 68 | E | A | -2.7717 | |
| 69 | Q | A | -2.2719 | |
| 70 | R | A | -1.6038 | |
| 71 | M | A | -0.6391 | |
| 72 | R | A | -2.0272 | |
| 73 | F | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | G | A | -0.8733 | |
| 76 | K | A | 0.0000 | |
| 77 | H | A | 0.0000 | |
| 78 | P | A | 0.0805 | |
| 79 | M | A | 0.3503 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | -0.6445 | |
| 82 | A | A | -0.2504 | |
| 83 | L | A | -0.1902 | |
| 84 | S | A | -0.6587 | |
| 85 | T | A | -0.9174 | |
| 86 | N | A | -1.5189 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | -1.4979 | |
| 89 | H | A | -1.5718 | |
| 90 | L | A | -0.7734 | |
| 91 | G | A | -1.4023 | |
| 92 | G | A | -1.3873 | |
| 93 | E | A | -1.6239 | |
| 94 | H | A | -1.6772 | |
| 95 | V | A | -0.5131 | |
| 96 | V | A | 0.0000 | |
| 97 | D | A | -1.4416 | |
| 98 | G | A | -1.7144 | |
| 99 | E | A | -2.6188 | |
| 100 | P | A | -2.3586 | |
| 101 | A | A | -2.6563 | |
| 102 | E | A | -3.4947 | |
| 103 | E | A | -3.7396 | |
| 104 | K | A | -3.3359 | |
| 105 | L | A | -1.8887 | |
| 106 | D | A | -2.1218 | |
| 107 | I | A | -1.3502 | |
| 108 | P | A | -1.2469 | |
| 109 | D | A | -1.8658 | |
| 110 | P | A | -1.8246 | |
| 111 | E | A | -3.0904 | |
| 112 | R | A | -3.3742 | |
| 113 | M | A | -2.1393 | |
| 114 | S | A | 0.0000 | |
| 115 | Q | A | -2.7546 | |
| 116 | H | A | -2.3343 | |
| 117 | I | A | 0.0000 | |
| 118 | K | A | -1.4017 | |
| 119 | D | A | -1.3690 | |
| 120 | T | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | R | A | -1.4203 | |
| 123 | F | A | 0.7377 | |
| 124 | F | A | 0.2439 | |
| 125 | R | A | -1.6622 | |
| 126 | A | A | 0.0000 | |
| 127 | D | A | -1.7416 | |
| 128 | E | A | -1.5347 | |
| 129 | V | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | I | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | L | A | -1.2822 | |
| 134 | L | A | 0.0000 | |
| 135 | P | A | 0.0000 | |
| 136 | E | A | -3.2659 | |
| 137 | H | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | S | A | -1.4795 | |
| 142 | H | A | -2.0078 | |
| 143 | R | A | -1.8640 | |
| 144 | G | A | -1.5085 | |
| 145 | L | A | -1.5285 | |
| 146 | D | A | -2.3224 | |
| 147 | D | A | -2.4345 | |
| 148 | N | A | -2.3386 | |
| 149 | P | A | -1.7548 | |
| 150 | F | A | -1.4426 | |
| 151 | E | A | -2.3304 | |
| 152 | C | A | -1.8966 | |
| 153 | N | A | -2.6585 | |
| 154 | H | A | -2.4086 | |
| 155 | K | A | -2.8763 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | D | A | -1.0339 | |
| 164 | Q | A | 0.0000 | |
| 165 | D | A | -1.6433 | |
| 166 | L | A | -1.4781 | |
| 167 | K | A | -2.0016 | |
| 168 | T | A | 0.0000 | |
| 169 | T | A | 0.0000 | |
| 170 | L | A | -0.7555 | |
| 171 | G | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | T | A | 0.0485 | |
| 174 | G | A | 0.0000 | |
| 175 | Y | A | -0.3550 | |
| 176 | D | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | Q | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | M | A | 0.1982 | |
| 185 | M | A | 0.0928 | |
| 186 | A | A | 0.0000 | |
| 187 | Y | A | 0.1298 | |
| 188 | L | A | -0.0503 | |
| 189 | N | A | -0.2706 | |
| 190 | S | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | V | A | 1.1420 | |
| 193 | V | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | C | A | 0.0000 | |
| 196 | S | A | 0.6142 | |
| 197 | L | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | A | A | -0.4012 | |
| 200 | Y | A | -0.0915 | |
| 201 | I | A | 0.0000 | |
| 202 | R | A | 0.0000 | |
| 203 | N | A | -2.0018 | |
| 204 | L | A | -1.4732 | |
| 205 | G | A | 0.0000 | |
| 206 | Y | A | 0.0000 | |
| 207 | S | A | -1.1608 | |
| 208 | A | A | 0.0000 | |
| 209 | R | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | H | A | 0.0000 | |
| 212 | H | A | 0.0000 | |
| 213 | A | A | -0.6031 | |
| 214 | R | A | -1.6110 | |
| 215 | N | A | 0.0000 | |
| 216 | Y | A | -0.2017 | |
| 217 | G | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | L | A | 0.1774 | |
| 220 | L | A | 0.1510 | |
| 221 | P | A | -0.0944 | |
| 222 | P | A | 0.0000 | |
| 223 | T | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | S | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | G | A | -0.3245 | |
| 229 | L | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | E | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | R | A | 0.0000 | |
| 235 | P | A | -0.2318 | |
| 236 | G | A | 0.0000 | |
| 237 | E | A | -1.0432 | |
| 238 | V | A | -0.2716 | |
| 239 | T | A | 0.0000 | |
| 240 | I | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | P | A | -0.8753 | |
| 243 | K | A | -1.8140 | |
| 244 | L | A | -1.1623 | |
| 245 | G | A | 0.0000 | |
| 246 | F | A | 0.0356 | |
| 247 | R | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | K | A | -0.2107 | |
| 250 | A | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | T | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | D | A | -2.2064 | |
| 257 | L | A | 0.0000 | |
| 258 | P | A | -0.8578 | |
| 259 | L | A | 0.0000 | |
| 260 | V | A | -0.6623 | |
| 261 | P | A | -0.3830 | |
| 262 | D | A | -0.8572 | |
| 263 | G | A | 0.0000 | |
| 264 | P | A | 0.0000 | |
| 265 | I | A | -0.7275 | |
| 266 | D | A | -1.1303 | |
| 267 | A | A | -1.1469 | |
| 268 | G | A | -1.4631 | |
| 269 | V | A | 0.0000 | |
| 270 | K | A | -1.7718 | |
| 271 | D | A | -2.8832 | |
| 272 | F | A | 0.0000 | |
| 273 | C | A | 0.0000 | |
| 274 | A | A | -1.4493 | |
| 275 | V | A | -1.2492 | |
| 276 | C | A | 0.0000 | |
| 277 | K | A | -0.6522 | |
| 278 | K | A | 0.0000 | |
| 279 | C | A | -0.5798 | |
| 280 | A | A | 0.0000 | |
| 281 | E | A | -1.9266 | |
| 282 | H | A | -1.3112 | |
| 283 | C | A | -0.7349 | |
| 284 | P | A | -0.6267 | |
| 285 | S | A | -0.8507 | |
| 286 | G | A | -1.0043 | |
| 287 | A | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | S | A | -0.1803 | |
| 290 | F | A | 0.3573 | |
| 291 | D | A | -0.8491 | |
| 292 | T | A | -1.1289 | |
| 293 | N | A | -2.1458 | |
| 294 | Q | A | -1.9854 | |
| 295 | K | A | -2.0953 | |
| 296 | S | A | -0.9560 | |
| 297 | Y | A | 0.1571 | |
| 298 | N | A | -0.6636 | |
| 299 | G | A | -0.7293 | |
| 300 | Y | A | -0.6748 | |
| 301 | E | A | -1.5549 | |
| 302 | R | A | -1.3310 | |
| 303 | W | A | 0.0000 | |
| 304 | V | A | -0.1519 | |
| 305 | G | A | -0.6602 | |
| 306 | D | A | -1.2550 | |
| 307 | S | A | -1.2830 | |
| 308 | D | A | -1.3696 | |
| 309 | K | A | -2.0533 | |
| 310 | C | A | -1.0838 | |
| 311 | T | A | 0.0000 | |
| 312 | E | A | -1.7055 | |
| 313 | F | A | -0.8590 | |
| 314 | R | A | -0.8708 | |
| 315 | S | A | 0.0000 | |
| 316 | A | A | -1.9100 | |
| 317 | N | A | 0.0000 | |
| 318 | R | A | -2.7125 | |
| 319 | D | A | -2.6946 | |
| 320 | G | A | 0.0000 | |
| 321 | S | A | 0.0000 | |
| 322 | S | A | 0.0000 | |
| 323 | C | A | -0.0226 | |
| 324 | G | A | 0.0608 | |
| 325 | R | A | 0.0000 | |
| 326 | C | A | -0.1066 | |
| 327 | M | A | 0.0000 | |
| 328 | K | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | P | A | 0.0000 | |
| 332 | W | A | 0.0000 | |
| 333 | H | A | 0.0000 | |
| 334 | N | A | 0.0000 | |
| 335 | K | A | 0.0000 | |
| 336 | A | A | -1.1842 | |
| 337 | D | A | -2.1785 | |
| 338 | N | A | -1.2034 | |
| 339 | W | A | 0.2429 | |
| 340 | S | A | -0.1131 | |
| 341 | H | A | -0.3230 | |
| 342 | S | A | -0.1909 | |
| 343 | L | A | 0.9135 | |
| 344 | G | A | 0.9001 | |
| 345 | T | A | 0.2523 | |
| 346 | F | A | 0.9046 | |
| 347 | M | A | 0.7291 | |
| 348 | G | A | 0.0000 | |
| 349 | S | A | -1.4650 | |
| 350 | R | A | -2.2806 | |
| 351 | S | A | -2.3357 | |
| 352 | K | A | -3.1481 | |
| 353 | Q | A | -2.2322 | |
| 354 | G | A | -1.2940 | |
| 355 | A | A | 0.0000 | |
| 356 | K | A | -1.5941 | |
| 357 | L | A | 0.0627 | |
| 358 | L | A | 0.0160 | |
| 359 | T | A | -0.6829 | |
| 360 | D | A | -0.7142 | |
| 361 | L | A | 0.7609 | |
| 362 | D | A | 0.0000 | |
| 363 | D | A | -0.6089 | |
| 364 | M | A | 1.1035 | |
| 365 | F | A | 1.8783 | |
| 366 | G | A | 0.5541 | |
| 367 | Y | A | 0.6550 | |
| 368 | G | A | 0.0000 | |
| 369 | T | A | -0.0782 | |
| 370 | E | A | 0.0284 | |
| 371 | I | A | -0.0010 | |
| 372 | V | A | -1.0296 | |
| 373 | K | A | -2.1430 | |
| 374 | K | A | -2.4054 | |
| 375 | N | A | 0.0000 | |
| 376 | Q | A | -0.7836 | |
| 377 | W | A | 0.4869 | |
| 378 | W | A | 1.1694 | |
| 379 | L | A | 1.5376 | |
| 380 | E | A | 0.2122 | |
| 381 | W | A | -0.0141 | |
| 382 | P | A | -1.2438 | |
| 383 | E | A | -1.7824 | |
| 384 | L | A | -0.3766 | |
| 385 | Y | A | -1.3648 |
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