| Chain sequence(s) |
A: MLSRAVCGTSRQLAPALGYLGSRQASIPCPRSELRLDLVLPSGQSFRWREQSPAHWSGVLADQVWTLTQTEEQLHCTVYRGDKSQASRPTPDELEAVRKYFQLDVTLAQLYHHWGSVDSHFQEVAQKFQGVRLLRQDPIECLFSFICSSNNNIARITGMVERLCQAFGPRLIQLDDVTYHGFPSLQALAGPEVEAHLRKLGLGYRARYVSASARAILEEQGGLAWLQQLRESSYEEAHKALCILPGVGTKVADCICLMALDKPQAVPVDVHMWHIAQRDYSWHPTTSQAKGPSPQTNKELGNFFRSLWGPYAGWAQAVLFSADLRQSRHAQEPDLGYPYDVPDYAGSDEEHGLASTLTRWAHYNALIRAF
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 (00:07:17)
[INFO] Main: Simulation completed successfully. (00:07:20)
|
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 | 1.5387 | |
| 2 | L | A | 1.4701 | |
| 3 | S | A | 0.1738 | |
| 4 | R | A | -0.8183 | |
| 5 | A | A | 0.3166 | |
| 6 | V | A | 1.4950 | |
| 7 | C | A | 1.1005 | |
| 8 | G | A | 0.0428 | |
| 9 | T | A | -0.6568 | |
| 10 | S | A | -1.3192 | |
| 11 | R | A | -2.1815 | |
| 12 | Q | A | -1.4461 | |
| 13 | L | A | 0.4019 | |
| 14 | A | A | 0.3523 | |
| 15 | P | A | 0.3604 | |
| 16 | A | A | 0.9700 | |
| 17 | L | A | 1.6106 | |
| 18 | G | A | 0.8592 | |
| 19 | Y | A | 1.2790 | |
| 20 | L | A | 0.3871 | |
| 21 | G | A | -0.3839 | |
| 22 | S | A | -0.8331 | |
| 23 | R | A | -1.6139 | |
| 24 | Q | A | -1.2106 | |
| 25 | A | A | -0.9521 | |
| 26 | S | A | -0.7209 | |
| 27 | I | A | 0.0000 | |
| 28 | P | A | -1.1708 | |
| 29 | C | A | 0.0000 | |
| 30 | P | A | -2.4522 | |
| 31 | R | A | -2.6412 | |
| 32 | S | A | -1.6218 | |
| 33 | E | A | -1.0348 | |
| 34 | L | A | 0.0000 | |
| 35 | R | A | -1.1152 | |
| 36 | L | A | 0.0000 | |
| 37 | D | A | -0.7925 | |
| 38 | L | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | P | A | -0.4172 | |
| 42 | S | A | 0.0000 | |
| 43 | G | A | -0.0482 | |
| 44 | Q | A | 0.0000 | |
| 45 | S | A | 0.0000 | |
| 46 | F | A | 0.0000 | |
| 47 | R | A | -0.3601 | |
| 48 | W | A | 0.0000 | |
| 49 | R | A | -1.3713 | |
| 50 | E | A | -1.9572 | |
| 51 | Q | A | -1.8777 | |
| 52 | S | A | -1.0347 | |
| 53 | P | A | -0.6679 | |
| 54 | A | A | -0.7547 | |
| 55 | H | A | -1.0745 | |
| 56 | W | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | V | A | -0.3002 | |
| 60 | L | A | -0.5956 | |
| 61 | A | A | -0.9945 | |
| 62 | D | A | -1.8983 | |
| 63 | Q | A | -1.1446 | |
| 64 | V | A | 0.0000 | |
| 65 | W | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | -0.3952 | |
| 69 | Q | A | 0.0000 | |
| 70 | T | A | -1.9300 | |
| 71 | E | A | -3.3200 | |
| 72 | E | A | -3.4077 | |
| 73 | Q | A | -2.2063 | |
| 74 | L | A | 0.0000 | |
| 75 | H | A | -0.6745 | |
| 76 | C | A | 0.0000 | |
| 77 | T | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | R | A | -2.1728 | |
| 81 | G | A | -2.5466 | |
| 82 | D | A | -3.4017 | |
| 83 | K | A | -3.4895 | |
| 84 | S | A | -2.8503 | |
| 85 | Q | A | -2.6623 | |
| 86 | A | A | -1.5755 | |
| 87 | S | A | -1.5708 | |
| 88 | R | A | -2.2266 | |
| 89 | P | A | 0.0000 | |
| 90 | T | A | -1.2524 | |
| 91 | P | A | -1.5768 | |
| 92 | D | A | -2.5248 | |
| 93 | E | A | -1.9770 | |
| 94 | L | A | -1.8583 | |
| 95 | E | A | -2.7912 | |
| 96 | A | A | -2.0720 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -3.0442 | |
| 99 | K | A | -2.9499 | |
| 100 | Y | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | Q | A | 0.0000 | |
| 103 | L | A | -1.6160 | |
| 104 | D | A | -2.1372 | |
| 105 | V | A | -0.8974 | |
| 106 | T | A | -0.6986 | |
| 107 | L | A | 0.0000 | |
| 108 | A | A | -0.9693 | |
| 109 | Q | A | -1.6034 | |
| 110 | L | A | -0.8786 | |
| 111 | Y | A | 0.0000 | |
| 112 | H | A | -1.7780 | |
| 113 | H | A | -1.3633 | |
| 114 | W | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | S | A | -0.4860 | |
| 117 | V | A | 0.4571 | |
| 118 | D | A | 0.0000 | |
| 119 | S | A | -1.0060 | |
| 120 | H | A | -1.2821 | |
| 121 | F | A | 0.0000 | |
| 122 | Q | A | -2.8129 | |
| 123 | E | A | -3.1702 | |
| 124 | V | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | Q | A | -2.8876 | |
| 127 | K | A | -2.7203 | |
| 128 | F | A | -1.4677 | |
| 129 | Q | A | -1.3189 | |
| 130 | G | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | R | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | R | A | -1.5149 | |
| 136 | Q | A | -1.2425 | |
| 137 | D | A | -1.3869 | |
| 138 | P | A | -0.6642 | |
| 139 | I | A | 0.0181 | |
| 140 | E | A | 0.0000 | |
| 141 | C | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | S | A | 0.0000 | |
| 149 | S | A | -1.0256 | |
| 150 | N | A | -1.8593 | |
| 151 | N | A | -1.7599 | |
| 152 | N | A | -1.7213 | |
| 153 | I | A | -0.3903 | |
| 154 | A | A | -0.6526 | |
| 155 | R | A | -1.4723 | |
| 156 | I | A | 0.0000 | |
| 157 | T | A | -0.7690 | |
| 158 | G | A | -0.7570 | |
| 159 | M | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | E | A | -1.2917 | |
| 162 | R | A | -1.2222 | |
| 163 | L | A | 0.0000 | |
| 164 | C | A | 0.0000 | |
| 165 | Q | A | -1.1627 | |
| 166 | A | A | -0.5913 | |
| 167 | F | A | -0.3383 | |
| 168 | G | A | 0.0000 | |
| 169 | P | A | -1.2444 | |
| 170 | R | A | -2.1705 | |
| 171 | L | A | -1.7042 | |
| 172 | I | A | 0.0000 | |
| 173 | Q | A | -2.6678 | |
| 174 | L | A | -2.1777 | |
| 175 | D | A | -2.7317 | |
| 176 | D | A | -2.6025 | |
| 177 | V | A | -1.1791 | |
| 178 | T | A | -1.2470 | |
| 179 | Y | A | -1.0123 | |
| 180 | H | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | F | A | -0.5552 | |
| 183 | P | A | 0.0000 | |
| 184 | S | A | -0.2772 | |
| 185 | L | A | 0.0000 | |
| 186 | Q | A | -1.2265 | |
| 187 | A | A | -0.5613 | |
| 188 | L | A | 0.0000 | |
| 189 | A | A | -1.0851 | |
| 190 | G | A | -1.1137 | |
| 191 | P | A | -1.2858 | |
| 192 | E | A | -2.1265 | |
| 193 | V | A | 0.0000 | |
| 194 | E | A | -2.0023 | |
| 195 | A | A | -2.1839 | |
| 196 | H | A | -2.1173 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | -3.0981 | |
| 199 | K | A | -2.8521 | |
| 200 | L | A | -1.7725 | |
| 201 | G | A | -1.5509 | |
| 202 | L | A | 0.0000 | |
| 203 | G | A | -1.1173 | |
| 204 | Y | A | 0.1581 | |
| 205 | R | A | -0.5834 | |
| 206 | A | A | 0.0000 | |
| 207 | R | A | -1.6181 | |
| 208 | Y | A | -0.3995 | |
| 209 | V | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | A | A | -0.5726 | |
| 212 | S | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | R | A | -1.3694 | |
| 215 | A | A | -1.1808 | |
| 216 | I | A | 0.0000 | |
| 217 | L | A | -1.2564 | |
| 218 | E | A | -2.8241 | |
| 219 | E | A | -2.9222 | |
| 220 | Q | A | -1.5522 | |
| 221 | G | A | -1.0630 | |
| 222 | G | A | 0.0000 | |
| 223 | L | A | 1.1559 | |
| 224 | A | A | 0.0941 | |
| 225 | W | A | -0.5070 | |
| 226 | L | A | 0.0000 | |
| 227 | Q | A | -1.6402 | |
| 228 | Q | A | -2.1602 | |
| 229 | L | A | 0.0000 | |
| 230 | R | A | -2.4803 | |
| 231 | E | A | -2.9853 | |
| 232 | S | A | -2.3460 | |
| 233 | S | A | -1.9874 | |
| 234 | Y | A | -2.0834 | |
| 235 | E | A | -3.1259 | |
| 236 | E | A | -3.5246 | |
| 237 | A | A | 0.0000 | |
| 238 | H | A | -1.8871 | |
| 239 | K | A | -2.3325 | |
| 240 | A | A | -0.9333 | |
| 241 | L | A | 0.0000 | |
| 242 | C | A | 0.4630 | |
| 243 | I | A | 1.6955 | |
| 244 | L | A | 0.0000 | |
| 245 | P | A | 0.1362 | |
| 246 | G | A | 0.0327 | |
| 247 | V | A | 0.0000 | |
| 248 | G | A | -0.2789 | |
| 249 | T | A | -1.0188 | |
| 250 | K | A | -0.9648 | |
| 251 | V | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | D | A | 0.0000 | |
| 254 | C | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | C | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | D | A | -1.4952 | |
| 262 | K | A | 0.0000 | |
| 263 | P | A | -0.4238 | |
| 264 | Q | A | -0.6349 | |
| 265 | A | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | P | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | D | A | 0.2271 | |
| 270 | V | A | 1.2211 | |
| 271 | H | A | 0.1462 | |
| 272 | M | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | H | A | -1.3988 | |
| 275 | I | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | Q | A | -2.0657 | |
| 278 | R | A | -2.6824 | |
| 279 | D | A | -1.6933 | |
| 280 | Y | A | -1.0293 | |
| 281 | S | A | -1.2498 | |
| 282 | W | A | -1.0262 | |
| 283 | H | A | -1.4720 | |
| 284 | P | A | 0.0000 | |
| 285 | T | A | -0.6261 | |
| 286 | T | A | -0.6130 | |
| 287 | S | A | -1.1772 | |
| 288 | Q | A | -1.8045 | |
| 289 | A | A | -1.5039 | |
| 290 | K | A | -2.0890 | |
| 291 | G | A | -0.9568 | |
| 292 | P | A | -0.6117 | |
| 293 | S | A | -0.9615 | |
| 294 | P | A | -1.1951 | |
| 295 | Q | A | -1.3646 | |
| 296 | T | A | 0.0000 | |
| 297 | N | A | -1.5731 | |
| 298 | K | A | -2.3772 | |
| 299 | E | A | -1.6629 | |
| 300 | L | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | N | A | -1.5200 | |
| 303 | F | A | -0.4486 | |
| 304 | F | A | 0.0000 | |
| 305 | R | A | -0.7057 | |
| 306 | S | A | -0.4632 | |
| 307 | L | A | 0.2236 | |
| 308 | W | A | 0.0000 | |
| 309 | G | A | -0.3861 | |
| 310 | P | A | -0.3313 | |
| 311 | Y | A | 0.0586 | |
| 312 | A | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | W | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | Q | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | F | A | -0.0035 | |
| 321 | S | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | D | A | -1.2577 | |
| 324 | L | A | -1.4322 | |
| 325 | R | A | -2.6725 | |
| 326 | Q | A | -2.8712 | |
| 327 | S | A | -2.7738 | |
| 328 | R | A | -3.9702 | |
| 329 | H | A | -3.3783 | |
| 330 | A | A | -2.6089 | |
| 331 | Q | A | -3.2620 | |
| 332 | E | A | -3.6221 | |
| 333 | P | A | -2.0235 | |
| 334 | D | A | -1.8229 | |
| 335 | L | A | 0.2088 | |
| 336 | G | A | 0.4960 | |
| 337 | Y | A | 1.3016 | |
| 338 | P | A | 0.7652 | |
| 339 | Y | A | 1.1440 | |
| 340 | D | A | -0.8089 | |
| 341 | V | A | 0.3825 | |
| 342 | P | A | -0.3812 | |
| 343 | D | A | -1.0900 | |
| 344 | Y | A | 0.3797 | |
| 345 | A | A | -0.6430 | |
| 346 | G | A | -1.0506 | |
| 347 | S | A | -1.8578 | |
| 348 | D | A | -3.5056 | |
| 349 | E | A | -3.8875 | |
| 350 | E | A | -3.5789 | |
| 351 | H | A | -2.3344 | |
| 352 | G | A | -0.6258 | |
| 353 | L | A | 1.1015 | |
| 354 | A | A | 0.6035 | |
| 355 | S | A | 0.2595 | |
| 356 | T | A | 0.4645 | |
| 357 | L | A | 0.9894 | |
| 358 | T | A | -0.3568 | |
| 359 | R | A | -1.5170 | |
| 360 | W | A | -0.2519 | |
| 361 | A | A | -0.2146 | |
| 362 | H | A | -1.0714 | |
| 363 | Y | A | -0.1795 | |
| 364 | N | A | -0.4003 | |
| 365 | A | A | -0.2544 | |
| 366 | L | A | 0.7428 | |
| 367 | I | A | 0.6958 | |
| 368 | R | A | -0.7661 | |
| 369 | A | A | 0.6966 | |
| 370 | F | A | 1.8010 |
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