| Chain sequence(s) |
A: DIQMTQSPSTLSASVGDRVTITCRASQSISSWLAWYQQKPGKAPKFLIYKASKLERGTPSRFSGSGDGTEFSLTISSLQPDDFATYYCLEYSSYIRTFGQGTKVEIKGGGGSGGGGSGGGGSEVQLVESGGGLVQPGRSLRLSCAASGFTFHDYAMHWVRQVPGKGLEWVSGISWRGDIGGYVKSVKGRFTISRDNAKNSLYLQMNSLRAEDTALYYCVKSYGSGSFYNAFDSWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYTCNVDHKPSNTKVDKRVESKYGP
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 (00:09:25)
[INFO] Main: Simulation completed successfully. (00:09:29)
|
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 | D | A | -2.1019 | |
| 2 | I | A | -1.5840 | |
| 3 | Q | A | -1.9838 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.1908 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.5828 | |
| 8 | P | A | -0.4305 | |
| 9 | S | A | -0.6178 | |
| 10 | T | A | -0.4820 | |
| 11 | L | A | -0.4484 | |
| 12 | S | A | -0.8841 | |
| 13 | A | A | -1.1721 | |
| 14 | S | A | -1.0777 | |
| 15 | V | A | -0.3837 | |
| 16 | G | A | -0.8136 | |
| 17 | D | A | -1.7248 | |
| 18 | R | A | -2.3305 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.5962 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.6975 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.2119 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.8337 | |
| 27 | Q | A | -2.0668 | |
| 28 | S | A | -1.4778 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -1.1894 | |
| 31 | S | A | -1.1806 | |
| 32 | W | A | -0.0304 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.9432 | |
| 40 | P | A | -1.1782 | |
| 41 | G | A | -1.6766 | |
| 42 | K | A | -2.7258 | |
| 43 | A | A | -1.8644 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -2.1247 | |
| 46 | F | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.0000 | |
| 50 | K | A | -1.6869 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -1.5490 | |
| 53 | K | A | -2.1434 | |
| 54 | L | A | -1.1854 | |
| 55 | E | A | -1.6343 | |
| 56 | R | A | -2.2335 | |
| 57 | G | A | -1.3701 | |
| 58 | T | A | -1.2549 | |
| 59 | P | A | -0.6709 | |
| 60 | S | A | -0.5019 | |
| 61 | R | A | -0.9294 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.5911 | |
| 64 | G | A | 0.0000 | |
| 65 | S | A | -1.3725 | |
| 66 | G | A | -1.9800 | |
| 67 | D | A | -2.7076 | |
| 68 | G | A | -1.9043 | |
| 69 | T | A | -2.1923 | |
| 70 | E | A | -2.8915 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | -0.9182 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6046 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.3987 | |
| 77 | S | A | -1.2130 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.9733 | |
| 80 | P | A | -1.5706 | |
| 81 | D | A | -2.0674 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | -0.7262 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.5796 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | E | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | S | A | 0.5778 | |
| 93 | S | A | 0.5009 | |
| 94 | Y | A | 1.1508 | |
| 95 | I | A | 0.6334 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -0.5261 | |
| 98 | F | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.7855 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -0.8513 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.1889 | |
| 106 | I | A | -1.4583 | |
| 107 | K | A | -2.0268 | |
| 108 | G | A | -1.5711 | |
| 109 | G | A | -1.4276 | |
| 110 | G | A | -1.3003 | |
| 111 | G | A | -1.4219 | |
| 112 | S | A | -1.3879 | |
| 113 | G | A | -1.7056 | |
| 114 | G | A | -1.4632 | |
| 115 | G | A | -1.2153 | |
| 116 | G | A | -1.1680 | |
| 117 | S | A | -1.0135 | |
| 118 | G | A | -1.1562 | |
| 119 | G | A | -1.4110 | |
| 120 | G | A | -1.4270 | |
| 121 | G | A | -1.5713 | |
| 122 | S | A | -1.6502 | |
| 123 | E | A | -2.3886 | |
| 124 | V | A | -1.0246 | |
| 125 | Q | A | -1.2268 | |
| 126 | L | A | 0.0000 | |
| 127 | V | A | 1.2177 | |
| 128 | E | A | 0.0000 | |
| 129 | S | A | -0.1642 | |
| 130 | G | A | -0.8208 | |
| 131 | G | A | -0.3726 | |
| 132 | G | A | -0.0654 | |
| 133 | L | A | 0.2963 | |
| 134 | V | A | -0.7530 | |
| 135 | Q | A | -1.6878 | |
| 136 | P | A | -2.1917 | |
| 137 | G | A | -2.2824 | |
| 138 | R | A | -2.8058 | |
| 139 | S | A | -2.1488 | |
| 140 | L | A | -1.4873 | |
| 141 | R | A | -2.0983 | |
| 142 | L | A | 0.0000 | |
| 143 | S | A | -0.3491 | |
| 144 | C | A | 0.0000 | |
| 145 | A | A | -0.0662 | |
| 146 | A | A | 0.0000 | |
| 147 | S | A | -0.8909 | |
| 148 | G | A | -1.1544 | |
| 149 | F | A | -0.4444 | |
| 150 | T | A | -0.3514 | |
| 151 | F | A | 0.0000 | |
| 152 | H | A | -1.3141 | |
| 153 | D | A | -0.8686 | |
| 154 | Y | A | -0.2942 | |
| 155 | A | A | 0.0000 | |
| 156 | M | A | 0.0000 | |
| 157 | H | A | 0.0000 | |
| 158 | W | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | R | A | 0.0000 | |
| 161 | Q | A | -0.4434 | |
| 162 | V | A | -0.9060 | |
| 163 | P | A | -0.8878 | |
| 164 | G | A | -1.5162 | |
| 165 | K | A | -2.2752 | |
| 166 | G | A | -1.4257 | |
| 167 | L | A | 0.0000 | |
| 168 | E | A | -0.6333 | |
| 169 | W | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | S | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | W | A | -1.2445 | |
| 176 | R | A | -2.4212 | |
| 177 | G | A | -1.9142 | |
| 178 | D | A | -1.9470 | |
| 179 | I | A | -0.0843 | |
| 180 | G | A | 0.0000 | |
| 181 | G | A | -0.1829 | |
| 182 | Y | A | -0.7019 | |
| 183 | V | A | 0.0000 | |
| 184 | K | A | -2.3934 | |
| 185 | S | A | -1.8080 | |
| 186 | V | A | 0.0000 | |
| 187 | K | A | -2.6218 | |
| 188 | G | A | -1.7895 | |
| 189 | R | A | -1.4023 | |
| 190 | F | A | 0.0000 | |
| 191 | T | A | -0.7550 | |
| 192 | I | A | 0.0000 | |
| 193 | S | A | -0.4896 | |
| 194 | R | A | -1.4512 | |
| 195 | D | A | -1.7675 | |
| 196 | N | A | -2.0283 | |
| 197 | A | A | -1.4831 | |
| 198 | K | A | -2.3651 | |
| 199 | N | A | -1.7807 | |
| 200 | S | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | Y | A | -0.6240 | |
| 203 | L | A | 0.0000 | |
| 204 | Q | A | -1.2568 | |
| 205 | M | A | 0.0000 | |
| 206 | N | A | -2.0251 | |
| 207 | S | A | -1.9978 | |
| 208 | L | A | 0.0000 | |
| 209 | R | A | -3.1070 | |
| 210 | A | A | -1.9564 | |
| 211 | E | A | -2.4260 | |
| 212 | D | A | 0.0000 | |
| 213 | T | A | -0.7438 | |
| 214 | A | A | 0.0000 | |
| 215 | L | A | 0.2859 | |
| 216 | Y | A | 0.0000 | |
| 217 | Y | A | 0.0000 | |
| 218 | C | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | K | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | 0.2144 | |
| 223 | G | A | -0.1050 | |
| 224 | S | A | -0.3875 | |
| 225 | G | A | -0.3614 | |
| 226 | S | A | -0.1657 | |
| 227 | F | A | 0.0000 | |
| 228 | Y | A | 1.3782 | |
| 229 | N | A | 0.3377 | |
| 230 | A | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | D | A | -0.5434 | |
| 233 | S | A | -0.7525 | |
| 234 | W | A | -0.6390 | |
| 235 | G | A | 0.0000 | |
| 236 | Q | A | -1.2549 | |
| 237 | G | A | 0.0000 | |
| 238 | T | A | 0.1281 | |
| 239 | L | A | 0.2630 | |
| 240 | V | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | S | A | -0.7634 | |
| 244 | S | A | -0.4521 | |
| 245 | A | A | -0.4155 | |
| 246 | S | A | -0.6118 | |
| 247 | T | A | -0.9271 | |
| 248 | K | A | -1.5889 | |
| 249 | G | A | -1.8250 | |
| 250 | P | A | 0.0000 | |
| 251 | S | A | -0.2605 | |
| 252 | V | A | 0.0000 | |
| 253 | F | A | 1.6516 | |
| 254 | P | A | 0.4446 | |
| 255 | L | A | 0.7124 | |
| 256 | A | A | 0.0099 | |
| 257 | P | A | -0.1212 | |
| 258 | C | A | 0.4444 | |
| 259 | S | A | -0.2692 | |
| 260 | R | A | -0.9821 | |
| 261 | S | A | -1.1356 | |
| 262 | T | A | -1.0980 | |
| 263 | S | A | -1.3900 | |
| 264 | E | A | -2.2698 | |
| 265 | S | A | -1.3003 | |
| 266 | T | A | -1.0273 | |
| 267 | A | A | -0.6617 | |
| 268 | A | A | 0.1638 | |
| 269 | L | A | 0.0000 | |
| 270 | G | A | 0.0000 | |
| 271 | C | A | 0.0000 | |
| 272 | L | A | 0.8832 | |
| 273 | V | A | 0.0000 | |
| 274 | K | A | -0.4804 | |
| 275 | D | A | -0.6452 | |
| 276 | Y | A | 0.0000 | |
| 277 | F | A | 0.0000 | |
| 278 | P | A | 0.0000 | |
| 279 | E | A | -0.1706 | |
| 280 | P | A | -0.7536 | |
| 281 | V | A | -0.8970 | |
| 282 | T | A | -0.8848 | |
| 283 | V | A | -0.3749 | |
| 284 | S | A | -0.6665 | |
| 285 | W | A | 0.0000 | |
| 286 | N | A | -1.1576 | |
| 287 | S | A | -0.8294 | |
| 288 | G | A | -0.6231 | |
| 289 | A | A | -0.3021 | |
| 290 | L | A | -0.1044 | |
| 291 | T | A | -0.3095 | |
| 292 | S | A | -0.4109 | |
| 293 | G | A | -0.5665 | |
| 294 | V | A | -0.0122 | |
| 295 | H | A | -0.5032 | |
| 296 | T | A | 0.1778 | |
| 297 | F | A | 0.9430 | |
| 298 | P | A | 0.6515 | |
| 299 | A | A | 1.2295 | |
| 300 | V | A | 2.3675 | |
| 301 | L | A | 2.0931 | |
| 302 | Q | A | 0.5402 | |
| 303 | S | A | 0.0194 | |
| 304 | S | A | -0.2715 | |
| 305 | G | A | 0.1604 | |
| 306 | L | A | 0.1547 | |
| 307 | Y | A | 0.7140 | |
| 308 | S | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | S | A | 0.7382 | |
| 311 | S | A | 0.0000 | |
| 312 | V | A | 0.4400 | |
| 313 | V | A | 0.0000 | |
| 314 | T | A | -0.2198 | |
| 315 | V | A | 0.0000 | |
| 316 | P | A | -0.6036 | |
| 317 | S | A | -0.8085 | |
| 318 | S | A | -0.5665 | |
| 319 | S | A | -0.6315 | |
| 320 | L | A | -0.9037 | |
| 321 | G | A | -1.3552 | |
| 322 | T | A | -0.9562 | |
| 323 | Q | A | -1.6066 | |
| 324 | T | A | -1.5291 | |
| 325 | Y | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | N | A | -1.8031 | |
| 329 | V | A | 0.0000 | |
| 330 | D | A | -2.6952 | |
| 331 | H | A | 0.0000 | |
| 332 | K | A | -2.9593 | |
| 333 | P | A | -1.6965 | |
| 334 | S | A | -2.0271 | |
| 335 | N | A | -2.7931 | |
| 336 | T | A | -2.3637 | |
| 337 | K | A | -2.9925 | |
| 338 | V | A | -1.8553 | |
| 339 | D | A | -2.6292 | |
| 340 | K | A | -2.0708 | |
| 341 | R | A | -2.6500 | |
| 342 | V | A | 0.0000 | |
| 343 | E | A | -2.8358 | |
| 344 | S | A | -1.5921 | |
| 345 | K | A | -1.6715 | |
| 346 | Y | A | -0.1385 | |
| 347 | G | A | -0.6788 | |
| 348 | P | A | -0.4386 |
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