| Chain sequence(s) |
A: MMKILLIGMGGTIASVKGENGYEASLSVKEVLDIAGIKDCEDCDFLDLKNVDSTLIQPEDWVDLAETLYKNVKKYDGIIVTHGTDTLAYTSSMISFMLRNPPIPIVFTGSMIPATEENSDAPLNLQTAIKFATSGIRGVYVAFNGKVMLGVRTSKVRTMSRDAFESINYPIIAELRGEDLVVNFIPKFNNGEVTLDLRHDPKVLVIKLIPGLSGDIFRAAVELGYRGIVIEGYGAGGIPYRGSDLLQTIEELSKEIPIVMTTQAMYDGVDLTRYKVGRLALRAGVIPAGDMTKEATVTKLMWILGHTNNVEEIKVLMRKNLVGELRD
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 (00:03:21)
[INFO] Main: Simulation completed successfully. (00:03:22)
|
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 | |
| 0 | M | A | 0.5418 | |
| 1 | M | A | -0.1816 | |
| 2 | K | A | -1.8484 | |
| 3 | I | A | 0.0000 | |
| 4 | L | A | 0.0000 | |
| 5 | L | A | 0.0000 | |
| 6 | I | A | 0.0000 | |
| 7 | G | A | 0.0000 | |
| 8 | M | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | T | A | -0.4986 | |
| 12 | I | A | 0.0000 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | 0.0000 | |
| 15 | V | A | -0.9063 | |
| 16 | K | A | -2.2442 | |
| 17 | G | A | -2.3613 | |
| 18 | E | A | -2.9775 | |
| 19 | N | A | -2.6788 | |
| 20 | G | A | -1.8328 | |
| 21 | Y | A | -1.3598 | |
| 22 | E | A | -2.3737 | |
| 23 | A | A | 0.0000 | |
| 24 | S | A | -0.7672 | |
| 25 | L | A | -0.7228 | |
| 26 | S | A | -1.3645 | |
| 27 | V | A | 0.0000 | |
| 28 | K | A | -2.7469 | |
| 29 | E | A | -2.3737 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | D | A | -2.4672 | |
| 33 | I | A | -0.6000 | |
| 34 | A | A | 0.0000 | |
| 35 | G | A | -1.2398 | |
| 36 | I | A | 0.0000 | |
| 37 | K | A | -3.3111 | |
| 38 | D | A | -3.3451 | |
| 39 | C | A | -2.9291 | |
| 40 | E | A | -3.5448 | |
| 41 | D | A | -3.0987 | |
| 42 | C | A | -2.4593 | |
| 43 | D | A | -1.7490 | |
| 44 | F | A | -0.5920 | |
| 45 | L | A | -0.5708 | |
| 46 | D | A | -1.7046 | |
| 47 | L | A | -0.9278 | |
| 48 | K | A | -1.1666 | |
| 49 | N | A | -1.1076 | |
| 50 | V | A | -0.4314 | |
| 51 | D | A | -1.0493 | |
| 52 | S | A | 0.0000 | |
| 53 | T | A | -0.2138 | |
| 54 | L | A | 0.7314 | |
| 55 | I | A | -0.3859 | |
| 56 | Q | A | -1.3080 | |
| 57 | P | A | -1.8205 | |
| 58 | E | A | -2.5861 | |
| 59 | D | A | -1.9000 | |
| 60 | W | A | 0.0000 | |
| 61 | V | A | -1.8645 | |
| 62 | D | A | -2.4368 | |
| 63 | L | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | E | A | -1.6879 | |
| 66 | T | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | Y | A | -1.0325 | |
| 69 | K | A | -2.3279 | |
| 70 | N | A | -2.1349 | |
| 71 | V | A | 0.0000 | |
| 72 | K | A | -2.9742 | |
| 73 | K | A | -3.0787 | |
| 74 | Y | A | -2.0618 | |
| 75 | D | A | -1.8848 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | T | A | 0.0000 | |
| 81 | H | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | T | A | 0.0000 | |
| 84 | D | A | -1.7654 | |
| 85 | T | A | -0.8339 | |
| 86 | L | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | Y | A | -0.0464 | |
| 89 | T | A | 0.0000 | |
| 90 | S | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | M | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | M | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | R | A | -0.7546 | |
| 99 | N | A | -1.5948 | |
| 100 | P | A | 0.0000 | |
| 101 | P | A | -1.4491 | |
| 102 | I | A | 0.0000 | |
| 103 | P | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | S | A | 0.0000 | |
| 110 | M | A | -0.2032 | |
| 111 | I | A | -0.3276 | |
| 112 | P | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | T | A | -0.9844 | |
| 115 | E | A | -2.1005 | |
| 116 | E | A | -2.8232 | |
| 117 | N | A | -2.4468 | |
| 118 | S | A | -1.4826 | |
| 119 | D | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | P | A | -0.0571 | |
| 122 | L | A | 0.4818 | |
| 123 | N | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | Q | A | -0.6211 | |
| 126 | T | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | I | A | -0.3453 | |
| 129 | K | A | -0.9702 | |
| 130 | F | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | T | A | -0.5110 | |
| 133 | S | A | -0.5686 | |
| 134 | G | A | -0.9030 | |
| 135 | I | A | -0.3632 | |
| 136 | R | A | -1.3118 | |
| 137 | G | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | N | A | -0.9668 | |
| 144 | G | A | -0.9666 | |
| 145 | K | A | -0.5476 | |
| 146 | V | A | 0.0000 | |
| 147 | M | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | R | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | K | A | -0.8467 | |
| 155 | V | A | -0.1725 | |
| 156 | R | A | -0.7622 | |
| 157 | T | A | -0.4011 | |
| 158 | M | A | 0.5448 | |
| 159 | S | A | -0.4988 | |
| 160 | R | A | -1.4573 | |
| 161 | D | A | -1.3250 | |
| 162 | A | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | E | A | -0.5192 | |
| 165 | S | A | -0.0558 | |
| 166 | I | A | 0.0000 | |
| 167 | N | A | -0.6761 | |
| 168 | Y | A | -0.3751 | |
| 169 | P | A | 0.0423 | |
| 170 | I | A | 0.0958 | |
| 171 | I | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | E | A | -1.3734 | |
| 174 | L | A | -1.8227 | |
| 175 | R | A | -3.0441 | |
| 176 | G | A | -2.7130 | |
| 177 | E | A | -3.4015 | |
| 178 | D | A | -3.0339 | |
| 179 | L | A | -1.3557 | |
| 180 | V | A | -0.0362 | |
| 181 | V | A | 1.2687 | |
| 182 | N | A | 0.0154 | |
| 183 | F | A | 0.7675 | |
| 184 | I | A | 0.9915 | |
| 185 | P | A | 0.0000 | |
| 186 | K | A | -1.3241 | |
| 187 | F | A | -0.9707 | |
| 188 | N | A | -2.1451 | |
| 189 | N | A | -2.6585 | |
| 190 | G | A | -2.1313 | |
| 191 | E | A | -2.3879 | |
| 192 | V | A | -0.9924 | |
| 193 | T | A | -0.4616 | |
| 194 | L | A | -0.4222 | |
| 195 | D | A | -0.7393 | |
| 196 | L | A | -1.2228 | |
| 197 | R | A | -1.9911 | |
| 198 | H | A | -1.6780 | |
| 199 | D | A | -1.6649 | |
| 200 | P | A | -1.5739 | |
| 201 | K | A | -1.3815 | |
| 202 | V | A | -0.4946 | |
| 203 | L | A | 0.4888 | |
| 204 | V | A | 0.7014 | |
| 205 | I | A | 0.2003 | |
| 206 | K | A | -0.9395 | |
| 207 | L | A | 0.0000 | |
| 208 | I | A | 0.3889 | |
| 209 | P | A | -0.0900 | |
| 210 | G | A | -0.7546 | |
| 211 | L | A | -0.3338 | |
| 212 | S | A | -0.7609 | |
| 213 | G | A | 0.0000 | |
| 214 | D | A | -1.4500 | |
| 215 | I | A | -0.1926 | |
| 216 | F | A | 0.0000 | |
| 217 | R | A | -1.2215 | |
| 218 | A | A | -0.4930 | |
| 219 | A | A | 0.0000 | |
| 220 | V | A | -0.5919 | |
| 221 | E | A | -1.1033 | |
| 222 | L | A | 0.4262 | |
| 223 | G | A | -0.3016 | |
| 224 | Y | A | -0.6439 | |
| 225 | R | A | -2.0875 | |
| 226 | G | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | E | A | -0.4900 | |
| 231 | G | A | 0.0000 | |
| 232 | Y | A | 0.4826 | |
| 233 | G | A | -0.2184 | |
| 234 | A | A | -0.5767 | |
| 235 | G | A | 0.0000 | |
| 236 | G | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | P | A | -0.4229 | |
| 239 | Y | A | -0.4609 | |
| 240 | R | A | -1.9260 | |
| 241 | G | A | -1.5167 | |
| 242 | S | A | -1.4429 | |
| 243 | D | A | -1.6747 | |
| 244 | L | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | Q | A | -2.1425 | |
| 247 | T | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | E | A | -3.5695 | |
| 250 | E | A | -3.5782 | |
| 251 | L | A | -2.5807 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -3.6500 | |
| 254 | E | A | -3.5291 | |
| 255 | I | A | 0.0000 | |
| 256 | P | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | M | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | T | A | 0.0000 | |
| 262 | Q | A | -0.2685 | |
| 263 | A | A | 0.0286 | |
| 264 | M | A | 0.3177 | |
| 265 | Y | A | 0.0649 | |
| 266 | D | A | -1.5137 | |
| 267 | G | A | -1.0159 | |
| 268 | V | A | 0.0000 | |
| 269 | D | A | -1.4860 | |
| 270 | L | A | 0.0000 | |
| 271 | T | A | -1.5266 | |
| 272 | R | A | -2.0412 | |
| 273 | Y | A | -0.7413 | |
| 274 | K | A | -1.6862 | |
| 275 | V | A | -0.5357 | |
| 276 | G | A | 0.0000 | |
| 277 | R | A | -2.5855 | |
| 278 | L | A | -1.2882 | |
| 279 | A | A | 0.0000 | |
| 280 | L | A | -1.4813 | |
| 281 | R | A | -2.3111 | |
| 282 | A | A | 0.0000 | |
| 283 | G | A | -2.1046 | |
| 284 | V | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | P | A | -0.4146 | |
| 287 | A | A | 0.0000 | |
| 288 | G | A | -1.2763 | |
| 289 | D | A | -1.3965 | |
| 290 | M | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | K | A | -0.4758 | |
| 293 | E | A | -0.3398 | |
| 294 | A | A | 0.0000 | |
| 295 | T | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | T | A | 0.0000 | |
| 298 | K | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | M | A | 0.0000 | |
| 301 | W | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | L | A | -1.4645 | |
| 304 | G | A | -1.4244 | |
| 305 | H | A | -1.5723 | |
| 306 | T | A | -1.6404 | |
| 307 | N | A | -2.8495 | |
| 308 | N | A | -3.2750 | |
| 309 | V | A | -2.8299 | |
| 310 | E | A | -3.0668 | |
| 311 | E | A | -2.5427 | |
| 312 | I | A | 0.0000 | |
| 313 | K | A | -1.5503 | |
| 314 | V | A | 0.0032 | |
| 315 | L | A | -0.4221 | |
| 316 | M | A | 0.0000 | |
| 317 | R | A | -1.5522 | |
| 318 | K | A | -1.9876 | |
| 319 | N | A | -2.0869 | |
| 320 | L | A | -0.7072 | |
| 321 | V | A | -0.3182 | |
| 322 | G | A | -0.9043 | |
| 323 | E | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | R | A | -3.1733 | |
| 326 | D | A | -3.2656 |
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