| Chain sequence(s) |
A: HKLLVTPPKALLKPLSIPNQLLLGPGPSNLPPRIMAAGGLQMIGSMSKDMYQIMDEIKEGIQYVFQTRNPLTLVISGSGHCALEAALVNVLEPGDSFLVGANGIWGQRAVDIGERIGVHPMTKDPGGHYTLQEVEEGLAQHKPVLLFLTHGESSTGVLQPLDGFGELCHRYKCLLLVDSVASLGGTPLYMDRQGIDILYSGSQKALNAPPGTSLISFSDKAKKKMYSRKTKPFSFYLDIKWLANFWGCDDQPRMYHHTIPVISLYSLRESLALIAEQGLENSWRQHREAAAYLHGRLQALGLQLFVKDPALRLPTVTTVAVPAGYDWRDIVSYVIDHFDIEIMGGLGPSTGKVLRIGLLGCNATRENVDRVTEALRAALQHCPKK
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 (00:04:46)
[INFO] Main: Simulation completed successfully. (00:04:49)
|
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 | |
| 4 | H | A | -1.2787 | |
| 5 | K | A | -0.7940 | |
| 6 | L | A | 1.7774 | |
| 7 | L | A | 2.5781 | |
| 8 | V | A | 2.6406 | |
| 9 | T | A | 1.0445 | |
| 10 | P | A | 0.1250 | |
| 11 | P | A | -0.2682 | |
| 12 | K | A | -1.1953 | |
| 13 | A | A | -0.0033 | |
| 14 | L | A | 1.2820 | |
| 15 | L | A | 0.9456 | |
| 16 | K | A | -0.5483 | |
| 17 | P | A | 0.4993 | |
| 18 | L | A | 1.8349 | |
| 19 | S | A | 1.0365 | |
| 20 | I | A | 1.7568 | |
| 21 | P | A | -0.3014 | |
| 22 | N | A | -1.4306 | |
| 23 | Q | A | -1.2517 | |
| 24 | L | A | -0.8554 | |
| 25 | L | A | -0.4036 | |
| 26 | L | A | 0.0000 | |
| 27 | G | A | 0.0000 | |
| 28 | P | A | 0.0000 | |
| 29 | G | A | -0.3147 | |
| 30 | P | A | -0.3089 | |
| 31 | S | A | 0.0000 | |
| 32 | N | A | 0.0089 | |
| 33 | L | A | 0.4219 | |
| 34 | P | A | 0.1428 | |
| 35 | P | A | -0.1963 | |
| 36 | R | A | -0.4582 | |
| 37 | I | A | 0.0000 | |
| 38 | M | A | 0.7731 | |
| 39 | A | A | 0.3510 | |
| 40 | A | A | 0.0000 | |
| 41 | G | A | 0.1267 | |
| 42 | G | A | 0.3033 | |
| 43 | L | A | 1.1045 | |
| 44 | Q | A | 0.0586 | |
| 45 | M | A | 0.9717 | |
| 46 | I | A | 0.3871 | |
| 47 | G | A | -0.3428 | |
| 48 | S | A | -0.0828 | |
| 49 | M | A | -0.0920 | |
| 50 | S | A | -1.4261 | |
| 51 | K | A | -2.6811 | |
| 52 | D | A | -2.8838 | |
| 53 | M | A | 0.0000 | |
| 54 | Y | A | -1.7981 | |
| 55 | Q | A | -2.3830 | |
| 56 | I | A | -1.6554 | |
| 57 | M | A | 0.0000 | |
| 58 | D | A | -2.1354 | |
| 59 | E | A | -1.9506 | |
| 60 | I | A | 0.0000 | |
| 61 | K | A | -1.9666 | |
| 62 | E | A | -2.6588 | |
| 63 | G | A | -1.3899 | |
| 64 | I | A | 0.0000 | |
| 65 | Q | A | -1.4885 | |
| 66 | Y | A | -0.5860 | |
| 67 | V | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | Q | A | -1.2033 | |
| 70 | T | A | 0.0000 | |
| 71 | R | A | -2.4168 | |
| 72 | N | A | -1.7545 | |
| 73 | P | A | -1.4981 | |
| 74 | L | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | S | A | -0.0413 | |
| 80 | G | A | -0.2737 | |
| 81 | S | A | -0.3964 | |
| 82 | G | A | -0.4223 | |
| 83 | H | A | -0.7191 | |
| 84 | C | A | -0.4843 | |
| 85 | A | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | E | A | -0.9909 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | E | A | -0.8323 | |
| 96 | P | A | -0.9508 | |
| 97 | G | A | -1.0415 | |
| 98 | D | A | -0.8149 | |
| 99 | S | A | -0.8083 | |
| 100 | F | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | A | A | -0.9191 | |
| 105 | N | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | W | A | -0.5639 | |
| 109 | G | A | 0.0000 | |
| 110 | Q | A | -1.5591 | |
| 111 | R | A | -1.7556 | |
| 112 | A | A | 0.0000 | |
| 113 | V | A | -1.4864 | |
| 114 | D | A | -2.1891 | |
| 115 | I | A | 0.0000 | |
| 116 | G | A | 0.0000 | |
| 117 | E | A | -3.0267 | |
| 118 | R | A | -2.8902 | |
| 119 | I | A | -1.4226 | |
| 120 | G | A | -1.7390 | |
| 123 | V | A | -0.4577 | |
| 124 | H | A | -0.4509 | |
| 125 | P | A | -0.3831 | |
| 126 | M | A | -0.4504 | |
| 127 | T | A | -1.0210 | |
| 128 | K | A | -1.7727 | |
| 129 | D | A | -2.3210 | |
| 130 | P | A | -1.3971 | |
| 131 | G | A | -1.0270 | |
| 132 | G | A | -1.0049 | |
| 133 | H | A | -0.6824 | |
| 134 | Y | A | 0.0000 | |
| 135 | T | A | -0.7743 | |
| 136 | L | A | -0.8928 | |
| 137 | Q | A | -1.9028 | |
| 138 | E | A | -1.9899 | |
| 139 | V | A | 0.0000 | |
| 140 | E | A | -2.7950 | |
| 141 | E | A | -3.2000 | |
| 142 | G | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | A | A | -2.1633 | |
| 145 | Q | A | -2.3654 | |
| 146 | H | A | -1.8614 | |
| 147 | K | A | -2.6244 | |
| 148 | P | A | 0.0000 | |
| 149 | V | A | -0.5429 | |
| 150 | L | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | H | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | E | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | L | A | 0.0334 | |
| 164 | Q | A | 0.0000 | |
| 165 | P | A | -0.5386 | |
| 166 | L | A | 0.0000 | |
| 167 | D | A | -2.3274 | |
| 168 | G | A | -1.7217 | |
| 169 | F | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | E | A | -2.9034 | |
| 172 | L | A | -2.0713 | |
| 173 | C | A | 0.0000 | |
| 174 | H | A | -2.5050 | |
| 175 | R | A | -2.9918 | |
| 176 | Y | A | -2.1930 | |
| 177 | K | A | -2.6263 | |
| 178 | C | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | D | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | V | A | 0.0831 | |
| 186 | A | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | T | A | 0.0000 | |
| 192 | P | A | -0.5541 | |
| 193 | L | A | 0.0000 | |
| 194 | Y | A | -0.8200 | |
| 195 | M | A | 0.0000 | |
| 196 | D | A | -1.7834 | |
| 197 | R | A | -2.3958 | |
| 198 | Q | A | -2.0207 | |
| 199 | G | A | -1.5873 | |
| 200 | I | A | 0.0000 | |
| 201 | D | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | Y | A | 0.0000 | |
| 205 | S | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | S | A | 0.0000 | |
| 208 | Q | A | -0.4065 | |
| 209 | K | A | -0.3759 | |
| 210 | A | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | N | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | P | A | -0.1705 | |
| 215 | P | A | -0.5024 | |
| 216 | G | A | -0.4500 | |
| 217 | T | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | S | A | -2.1694 | |
| 224 | D | A | -3.2353 | |
| 225 | K | A | -3.1326 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -2.5547 | |
| 228 | K | A | -2.8779 | |
| 229 | K | A | -1.7703 | |
| 230 | M | A | 0.0000 | |
| 231 | Y | A | -0.7355 | |
| 232 | S | A | -1.1904 | |
| 233 | R | A | -1.6519 | |
| 234 | K | A | -2.2066 | |
| 235 | T | A | -1.5601 | |
| 236 | K | A | -1.5835 | |
| 237 | P | A | 0.0000 | |
| 238 | F | A | 2.0375 | |
| 239 | S | A | 1.7718 | |
| 240 | F | A | 2.5005 | |
| 241 | Y | A | 2.1145 | |
| 242 | L | A | 0.0000 | |
| 243 | D | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | K | A | -1.0058 | |
| 246 | W | A | 0.5297 | |
| 247 | L | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | N | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 252 | G | A | -1.1628 | |
| 253 | C | A | -1.3398 | |
| 254 | D | A | -2.3917 | |
| 255 | D | A | -2.8395 | |
| 256 | Q | A | -2.2946 | |
| 257 | P | A | -1.1804 | |
| 258 | R | A | -0.4075 | |
| 259 | M | A | 0.9624 | |
| 260 | Y | A | 1.6032 | |
| 261 | H | A | 0.0000 | |
| 262 | H | A | 0.7132 | |
| 263 | T | A | 0.0880 | |
| 264 | I | A | 0.0000 | |
| 265 | P | A | -0.0444 | |
| 266 | V | A | 0.0000 | |
| 267 | I | A | 0.6478 | |
| 268 | S | A | -0.0780 | |
| 269 | L | A | 0.0000 | |
| 270 | Y | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | R | A | -1.0288 | |
| 274 | E | A | -0.5298 | |
| 275 | S | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | A | A | -0.6921 | |
| 278 | L | A | -0.6492 | |
| 279 | I | A | 0.0000 | |
| 280 | A | A | -0.8642 | |
| 281 | E | A | -2.1000 | |
| 282 | Q | A | -1.9916 | |
| 283 | G | A | -1.7338 | |
| 284 | L | A | 0.0000 | |
| 285 | E | A | -3.0742 | |
| 286 | N | A | -3.3959 | |
| 287 | S | A | 0.0000 | |
| 288 | W | A | 0.0000 | |
| 289 | R | A | -3.8324 | |
| 290 | Q | A | -2.9343 | |
| 291 | H | A | 0.0000 | |
| 292 | R | A | -2.8382 | |
| 293 | E | A | -3.1661 | |
| 294 | A | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | A | A | -1.2760 | |
| 297 | Y | A | -1.1489 | |
| 298 | L | A | 0.0000 | |
| 299 | H | A | -1.0303 | |
| 300 | G | A | -0.9717 | |
| 301 | R | A | -1.2932 | |
| 302 | L | A | 0.0000 | |
| 303 | Q | A | -1.8955 | |
| 304 | A | A | -1.2185 | |
| 305 | L | A | -1.3886 | |
| 306 | G | A | -1.3064 | |
| 307 | L | A | 0.0000 | |
| 308 | Q | A | -1.6162 | |
| 309 | L | A | -1.0423 | |
| 310 | F | A | -0.5072 | |
| 311 | V | A | 0.0000 | |
| 312 | K | A | -2.1310 | |
| 313 | D | A | -1.5766 | |
| 314 | P | A | -0.9682 | |
| 315 | A | A | -0.4703 | |
| 316 | L | A | -0.4936 | |
| 317 | R | A | -0.6813 | |
| 318 | L | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | A | A | -0.3296 | |
| 326 | V | A | -0.2476 | |
| 327 | P | A | -0.4864 | |
| 328 | A | A | -0.5273 | |
| 329 | G | A | -1.4748 | |
| 330 | Y | A | -1.4831 | |
| 331 | D | A | -1.8261 | |
| 332 | W | A | -1.1902 | |
| 333 | R | A | -2.1135 | |
| 334 | D | A | -1.8148 | |
| 335 | I | A | 0.0000 | |
| 336 | V | A | -0.7181 | |
| 337 | S | A | -1.1947 | |
| 338 | Y | A | -1.1408 | |
| 339 | V | A | 0.0000 | |
| 340 | I | A | -1.0860 | |
| 341 | D | A | -2.2781 | |
| 342 | H | A | -1.6805 | |
| 343 | F | A | -1.3523 | |
| 344 | D | A | -2.3764 | |
| 345 | I | A | 0.0000 | |
| 346 | E | A | -0.8239 | |
| 347 | I | A | 0.0000 | |
| 348 | M | A | -0.0135 | |
| 349 | G | A | 0.0000 | |
| 350 | G | A | -0.3401 | |
| 351 | L | A | -0.0215 | |
| 352 | G | A | -0.4425 | |
| 353 | P | A | -0.8786 | |
| 354 | S | A | 0.0000 | |
| 355 | T | A | -0.6169 | |
| 356 | G | A | -1.1499 | |
| 357 | K | A | -1.2986 | |
| 358 | V | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | R | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | G | A | 0.0675 | |
| 366 | C | A | 0.3134 | |
| 367 | N | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | T | A | -1.8560 | |
| 370 | R | A | -3.4271 | |
| 371 | E | A | -3.4153 | |
| 372 | N | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | D | A | -3.2135 | |
| 375 | R | A | -3.5014 | |
| 376 | V | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | E | A | -3.1454 | |
| 379 | A | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | R | A | -3.0297 | |
| 382 | A | A | -1.9559 | |
| 383 | A | A | 0.0000 | |
| 384 | L | A | -1.8751 | |
| 385 | Q | A | -2.2940 | |
| 386 | H | A | -2.0856 | |
| 387 | C | A | 0.0000 | |
| 388 | P | A | -2.0692 | |
| 389 | K | A | -3.0242 | |
| 390 | K | A | -2.6720 |
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