| Chain sequence(s) |
A: DYVNYDIIVRHYNYTGKLNISADKENSIKLTSTTYIQTCCYIIQENIYVQQTIWKTKKFHRPMYYFIGNLAQSDLQAGVAYTANLLLSGATTYKLTPAQWFQREGSMFTALSASVFSLLAIAIERYITMQKMKLHNGSNNYRLYQLISACWTTSQTLGGLPIMGWNCISALSSCSTVLPLYHKHYIQFCTTVFTQLLQSITTLYCRIYSLVRTRSRRLTFRKNISKASRSSEKSQALLKTVTTVQSVFIACWAPLFTLLQLDVGCKVKTCDILFRAEYFLTLAVQNSGTNPIIYTQTNKEMRRAFI
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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:57)
[INFO] Main: Simulation completed successfully. (00:10:00)
|
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 | -1.2497 | |
| 2 | Y | A | 0.3943 | |
| 3 | V | A | 1.0841 | |
| 4 | N | A | -0.1217 | |
| 5 | Y | A | -0.0445 | |
| 6 | D | A | -1.5965 | |
| 7 | I | A | -1.0125 | |
| 8 | I | A | 0.0000 | |
| 9 | V | A | -1.0185 | |
| 10 | R | A | -2.0649 | |
| 11 | H | A | 0.0000 | |
| 12 | Y | A | 0.0000 | |
| 13 | N | A | -1.6165 | |
| 14 | Y | A | -0.7906 | |
| 15 | T | A | 0.0000 | |
| 16 | G | A | -1.0334 | |
| 17 | K | A | -0.6295 | |
| 18 | L | A | -0.2330 | |
| 19 | N | A | -0.2694 | |
| 20 | I | A | 1.2511 | |
| 21 | S | A | 0.2803 | |
| 22 | A | A | 0.2524 | |
| 23 | D | A | 0.1350 | |
| 24 | K | A | -0.0104 | |
| 25 | E | A | -0.7769 | |
| 26 | N | A | -0.3725 | |
| 27 | S | A | 0.1623 | |
| 28 | I | A | 0.7701 | |
| 29 | K | A | 0.1953 | |
| 30 | L | A | 1.3138 | |
| 31 | T | A | 0.5536 | |
| 32 | S | A | 0.0000 | |
| 33 | T | A | 0.3197 | |
| 34 | T | A | -0.0705 | |
| 35 | Y | A | 0.2363 | |
| 36 | I | A | 0.3208 | |
| 37 | Q | A | -0.5156 | |
| 38 | T | A | -0.0844 | |
| 39 | C | A | 0.0000 | |
| 40 | C | A | 0.7532 | |
| 41 | Y | A | 1.1452 | |
| 42 | I | A | 0.0000 | |
| 43 | I | A | 0.9308 | |
| 44 | Q | A | 0.4972 | |
| 45 | E | A | 0.4945 | |
| 46 | N | A | 0.0000 | |
| 47 | I | A | 0.9523 | |
| 48 | Y | A | 0.7613 | |
| 49 | V | A | 0.0000 | |
| 50 | Q | A | -0.4176 | |
| 51 | Q | A | -0.4597 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | W | A | -0.1369 | |
| 55 | K | A | -1.0823 | |
| 56 | T | A | -1.5512 | |
| 57 | K | A | -2.9982 | |
| 58 | K | A | -3.1137 | |
| 59 | F | A | 0.0000 | |
| 60 | H | A | -2.4271 | |
| 61 | R | A | -2.7969 | |
| 62 | P | A | -0.9752 | |
| 63 | M | A | -0.1098 | |
| 64 | Y | A | 0.0000 | |
| 65 | Y | A | 1.0379 | |
| 66 | F | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | G | A | 0.1566 | |
| 69 | N | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | Q | A | -0.8176 | |
| 73 | S | A | 0.0000 | |
| 74 | D | A | 0.0000 | |
| 75 | L | A | 0.4031 | |
| 76 | Q | A | -0.0732 | |
| 77 | A | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | V | A | 1.3462 | |
| 80 | A | A | 0.0000 | |
| 81 | Y | A | 0.0000 | |
| 82 | T | A | 0.6370 | |
| 83 | A | A | 0.7178 | |
| 84 | N | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | L | A | 0.9200 | |
| 87 | L | A | 0.3718 | |
| 88 | S | A | 0.0715 | |
| 89 | G | A | -0.2079 | |
| 90 | A | A | 0.0136 | |
| 91 | T | A | -0.4304 | |
| 92 | T | A | 0.0000 | |
| 93 | Y | A | -0.2746 | |
| 94 | K | A | -1.4109 | |
| 95 | L | A | 0.0000 | |
| 96 | T | A | -0.1858 | |
| 97 | P | A | 0.0000 | |
| 98 | A | A | -0.3070 | |
| 99 | Q | A | -1.1155 | |
| 100 | W | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | Q | A | -1.4676 | |
| 103 | R | A | -0.8765 | |
| 104 | E | A | 0.0000 | |
| 105 | G | A | 0.0000 | |
| 106 | S | A | -0.4036 | |
| 107 | M | A | 0.0000 | |
| 108 | F | A | -0.0526 | |
| 109 | T | A | -0.2741 | |
| 110 | A | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | S | A | 0.0531 | |
| 113 | A | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.4274 | |
| 117 | S | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | L | A | 0.3160 | |
| 120 | A | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | I | A | 0.6494 | |
| 124 | E | A | 0.0000 | |
| 125 | R | A | -0.0258 | |
| 126 | Y | A | -0.0997 | |
| 127 | I | A | 0.0865 | |
| 128 | T | A | -0.7612 | |
| 129 | M | A | -0.5764 | |
| 130 | Q | A | -1.3336 | |
| 131 | K | A | -1.6676 | |
| 132 | M | A | -0.6581 | |
| 133 | K | A | -1.6880 | |
| 134 | L | A | -0.0619 | |
| 135 | H | A | -1.3961 | |
| 136 | N | A | -2.5535 | |
| 137 | G | A | -2.1849 | |
| 138 | S | A | -2.0144 | |
| 139 | N | A | -1.6811 | |
| 140 | N | A | -0.7828 | |
| 141 | Y | A | 0.5750 | |
| 142 | R | A | -0.1365 | |
| 143 | L | A | 0.0000 | |
| 144 | Y | A | 1.0039 | |
| 145 | Q | A | -0.1792 | |
| 146 | L | A | 0.3346 | |
| 147 | I | A | 0.5613 | |
| 148 | S | A | 0.0805 | |
| 149 | A | A | -0.0260 | |
| 150 | C | A | 0.0000 | |
| 151 | W | A | 0.0700 | |
| 152 | T | A | -0.3150 | |
| 153 | T | A | -0.3327 | |
| 154 | S | A | 0.0000 | |
| 155 | Q | A | -1.0989 | |
| 156 | T | A | -0.5576 | |
| 157 | L | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | G | A | -0.0452 | |
| 160 | L | A | 0.6768 | |
| 161 | P | A | 0.0000 | |
| 162 | I | A | 0.9385 | |
| 163 | M | A | 1.4448 | |
| 164 | G | A | 0.8148 | |
| 165 | W | A | 0.4388 | |
| 166 | N | A | 0.1158 | |
| 167 | C | A | 0.0000 | |
| 168 | I | A | -0.1741 | |
| 169 | S | A | -0.2144 | |
| 170 | A | A | 0.0991 | |
| 171 | L | A | 0.1252 | |
| 172 | S | A | -0.2436 | |
| 173 | S | A | -0.5932 | |
| 174 | C | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | V | A | 0.1619 | |
| 178 | L | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | H | A | -0.7504 | |
| 183 | K | A | -1.4204 | |
| 184 | H | A | -1.3728 | |
| 185 | Y | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | Q | A | -0.9619 | |
| 188 | F | A | 0.0980 | |
| 189 | C | A | 0.1143 | |
| 190 | T | A | 0.0000 | |
| 191 | T | A | -0.0957 | |
| 192 | V | A | 0.0860 | |
| 193 | F | A | -0.0602 | |
| 194 | T | A | -0.5502 | |
| 195 | Q | A | -1.4005 | |
| 196 | L | A | 0.0000 | |
| 197 | L | A | -0.5049 | |
| 198 | Q | A | -1.4765 | |
| 199 | S | A | -0.6936 | |
| 200 | I | A | 0.0000 | |
| 201 | T | A | -0.2461 | |
| 202 | T | A | -0.3663 | |
| 203 | L | A | -0.0592 | |
| 204 | Y | A | 0.0000 | |
| 205 | C | A | 0.2433 | |
| 206 | R | A | -1.0078 | |
| 207 | I | A | 0.0000 | |
| 208 | Y | A | -0.0078 | |
| 209 | S | A | -0.4100 | |
| 210 | L | A | -0.4268 | |
| 211 | V | A | 0.0000 | |
| 212 | R | A | -1.9233 | |
| 213 | T | A | -1.3517 | |
| 214 | R | A | -1.5160 | |
| 215 | S | A | -1.9095 | |
| 216 | R | A | -3.3403 | |
| 217 | R | A | -2.4815 | |
| 218 | L | A | -0.4643 | |
| 219 | T | A | -0.2443 | |
| 220 | F | A | 0.4559 | |
| 221 | R | A | -1.4027 | |
| 222 | K | A | -1.5865 | |
| 223 | N | A | -0.3408 | |
| 224 | I | A | 0.9421 | |
| 225 | S | A | -0.3655 | |
| 226 | K | A | -1.7823 | |
| 227 | A | A | -1.7055 | |
| 228 | S | A | -1.9617 | |
| 229 | R | A | -2.6000 | |
| 230 | S | A | -2.4234 | |
| 231 | S | A | -2.6921 | |
| 232 | E | A | -2.9769 | |
| 233 | K | A | -2.8851 | |
| 234 | S | A | 0.0000 | |
| 235 | Q | A | -2.3591 | |
| 236 | A | A | -1.7073 | |
| 237 | L | A | -0.9547 | |
| 238 | L | A | -0.7721 | |
| 239 | K | A | -1.5166 | |
| 240 | T | A | -0.6835 | |
| 241 | V | A | -0.0783 | |
| 242 | T | A | -0.3197 | |
| 243 | T | A | -0.2277 | |
| 244 | V | A | 0.0554 | |
| 245 | Q | A | 0.2508 | |
| 246 | S | A | 0.2550 | |
| 247 | V | A | 0.5049 | |
| 248 | F | A | 0.0000 | |
| 249 | I | A | 0.9664 | |
| 250 | A | A | 0.6738 | |
| 251 | C | A | 0.6371 | |
| 252 | W | A | 0.0000 | |
| 253 | A | A | 0.5944 | |
| 254 | P | A | 0.6172 | |
| 255 | L | A | 0.7532 | |
| 256 | F | A | 0.4482 | |
| 257 | T | A | 0.0643 | |
| 258 | L | A | 0.0000 | |
| 259 | L | A | -0.0882 | |
| 260 | Q | A | -0.6828 | |
| 261 | L | A | 0.2145 | |
| 262 | D | A | 0.0000 | |
| 263 | V | A | -0.7894 | |
| 264 | G | A | -0.6838 | |
| 265 | C | A | -0.8118 | |
| 266 | K | A | -1.8165 | |
| 267 | V | A | -1.4574 | |
| 268 | K | A | -2.1233 | |
| 269 | T | A | -1.4727 | |
| 270 | C | A | -1.0090 | |
| 271 | D | A | -1.5646 | |
| 272 | I | A | 0.0496 | |
| 273 | L | A | 0.0000 | |
| 274 | F | A | -0.3242 | |
| 275 | R | A | -0.4448 | |
| 276 | A | A | 0.3612 | |
| 277 | E | A | 0.4141 | |
| 278 | Y | A | 1.3376 | |
| 279 | F | A | 1.0896 | |
| 280 | L | A | 0.8779 | |
| 281 | T | A | 0.8047 | |
| 282 | L | A | 1.0700 | |
| 283 | A | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | Q | A | -0.5072 | |
| 286 | N | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | G | A | 0.0000 | |
| 289 | T | A | 0.0180 | |
| 290 | N | A | 0.0000 | |
| 291 | P | A | 0.0000 | |
| 292 | I | A | 0.3590 | |
| 293 | I | A | 0.0000 | |
| 294 | Y | A | 0.0000 | |
| 295 | T | A | -1.2464 | |
| 296 | Q | A | -2.1228 | |
| 297 | T | A | -1.7360 | |
| 298 | N | A | -2.5142 | |
| 299 | K | A | -3.6522 | |
| 300 | E | A | -2.9674 | |
| 301 | M | A | 0.0000 | |
| 302 | R | A | -3.2698 | |
| 303 | R | A | -2.5290 | |
| 304 | A | A | -1.1258 | |
| 305 | F | A | 0.3724 | |
| 306 | I | A | 1.4591 |
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