| Chain sequence(s) |
A: KVEQAVETEPEPELRQQTEWQSGQRWELALGRFWDYLRWVQTLSEQVQEELLSSQVTQELRALMDETMKELKAYKSELEEQLTPVAEETRARLSKELQAAQARLGADMEDVCGRLVQYRGEVQAMLGQSTEELRVRLASHLRKLRKRLLRDADDLQKRLAVYQAGAREGAERGLSAIRERLGPLVEQGRVRAATVGSLAGQPLQERAQAWGERLRARMEEMGSRTRDRLDEVKEQVAEVRAKLEEQAQQIRLQAEAFQARLKSWFEPLVEDMQRQWAGLVEKVQAAVGTSAAPVPSDNH
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 (00:10:31)
[INFO] Main: Simulation completed successfully. (00:10:34)
|
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 | |
| 19 | K | A | 0.0900 | |
| 20 | V | A | 1.0218 | |
| 21 | E | A | -0.3219 | |
| 22 | Q | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | V | A | -0.4842 | |
| 25 | E | A | -1.6046 | |
| 26 | T | A | -1.9250 | |
| 27 | E | A | -2.6481 | |
| 28 | P | A | -1.6836 | |
| 29 | E | A | -2.1081 | |
| 30 | P | A | -2.3062 | |
| 31 | E | A | -2.4290 | |
| 32 | L | A | 0.0000 | |
| 33 | R | A | -3.3470 | |
| 34 | Q | A | -2.6294 | |
| 35 | Q | A | -1.7543 | |
| 36 | T | A | 0.0000 | |
| 37 | E | A | -2.9660 | |
| 38 | W | A | -0.9887 | |
| 39 | Q | A | -1.5326 | |
| 40 | S | A | -1.7019 | |
| 41 | G | A | -2.0034 | |
| 42 | Q | A | -2.5943 | |
| 43 | R | A | -2.7473 | |
| 44 | W | A | -1.9030 | |
| 45 | E | A | -2.0865 | |
| 46 | L | A | -1.1052 | |
| 47 | A | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | G | A | -1.4899 | |
| 50 | R | A | -1.2679 | |
| 51 | F | A | 0.0000 | |
| 52 | W | A | 0.0000 | |
| 53 | D | A | -1.9342 | |
| 54 | Y | A | -0.8119 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -0.9636 | |
| 57 | W | A | -0.1306 | |
| 58 | V | A | 0.0000 | |
| 59 | Q | A | 0.0000 | |
| 60 | T | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | E | A | -2.1830 | |
| 64 | Q | A | -1.5642 | |
| 65 | V | A | 0.0000 | |
| 66 | Q | A | -0.9752 | |
| 67 | E | A | -0.8700 | |
| 68 | E | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | L | A | -0.3201 | |
| 71 | S | A | -0.3600 | |
| 72 | S | A | 0.0000 | |
| 73 | Q | A | -0.2721 | |
| 74 | V | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | Q | A | -0.5574 | |
| 77 | E | A | -1.2986 | |
| 78 | L | A | 0.0000 | |
| 79 | R | A | -1.1030 | |
| 80 | A | A | -0.6635 | |
| 81 | L | A | -0.6539 | |
| 82 | M | A | 0.0000 | |
| 83 | D | A | -1.1105 | |
| 84 | E | A | -1.2955 | |
| 85 | T | A | 0.0000 | |
| 86 | M | A | 0.0000 | |
| 87 | K | A | -2.0721 | |
| 88 | E | A | -1.6275 | |
| 89 | L | A | 0.0000 | |
| 90 | K | A | 0.0000 | |
| 91 | A | A | -0.8232 | |
| 92 | Y | A | -0.5403 | |
| 93 | K | A | 0.0000 | |
| 94 | S | A | -1.0380 | |
| 95 | E | A | -2.3105 | |
| 96 | L | A | 0.0000 | |
| 97 | E | A | 0.0000 | |
| 98 | E | A | -3.1131 | |
| 99 | Q | A | -2.8889 | |
| 100 | L | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | P | A | -1.0109 | |
| 103 | V | A | -1.3887 | |
| 104 | A | A | 0.0000 | |
| 105 | E | A | -3.3554 | |
| 106 | E | A | -2.9967 | |
| 107 | T | A | 0.0000 | |
| 108 | R | A | -2.1299 | |
| 109 | A | A | -1.2875 | |
| 110 | R | A | -1.2814 | |
| 111 | L | A | 0.0000 | |
| 112 | S | A | 0.0000 | |
| 113 | K | A | -1.1933 | |
| 114 | E | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | Q | A | 0.0000 | |
| 120 | A | A | -0.1477 | |
| 121 | R | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | G | A | 0.0000 | |
| 124 | A | A | -0.7182 | |
| 125 | D | A | 0.0000 | |
| 126 | M | A | 0.0000 | |
| 127 | E | A | -2.1073 | |
| 128 | D | A | -1.0149 | |
| 129 | V | A | 0.0000 | |
| 130 | C | A | 0.0000 | |
| 131 | G | A | -0.7611 | |
| 132 | R | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | V | A | -0.1398 | |
| 135 | Q | A | -0.7732 | |
| 136 | Y | A | 0.0000 | |
| 137 | R | A | -0.7244 | |
| 138 | G | A | -0.7651 | |
| 139 | E | A | -0.6720 | |
| 140 | V | A | 0.0000 | |
| 141 | Q | A | -0.2098 | |
| 142 | A | A | 0.2238 | |
| 143 | M | A | 0.7933 | |
| 144 | L | A | 1.2305 | |
| 145 | G | A | 0.1376 | |
| 146 | Q | A | -0.3935 | |
| 147 | S | A | -0.9085 | |
| 148 | T | A | -1.1798 | |
| 149 | E | A | -1.6901 | |
| 150 | E | A | -1.9002 | |
| 151 | L | A | 0.0000 | |
| 152 | R | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | R | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | S | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | R | A | 0.0000 | |
| 161 | K | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | R | A | 0.0000 | |
| 164 | K | A | 0.0000 | |
| 165 | R | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -0.3819 | |
| 169 | D | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | D | A | 0.0000 | |
| 172 | D | A | -0.0525 | |
| 173 | L | A | 0.0000 | |
| 174 | Q | A | 0.0000 | |
| 175 | K | A | 0.0000 | |
| 176 | R | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | A | A | -0.5222 | |
| 179 | V | A | 0.0000 | |
| 180 | Y | A | 0.0000 | |
| 181 | Q | A | -1.5432 | |
| 182 | A | A | -0.6796 | |
| 183 | G | A | -1.2553 | |
| 184 | A | A | 0.0000 | |
| 185 | R | A | -3.6499 | |
| 186 | E | A | -4.0084 | |
| 187 | G | A | 0.0000 | |
| 188 | A | A | -3.0238 | |
| 189 | E | A | -3.2317 | |
| 190 | R | A | -2.4132 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | -1.5147 | |
| 193 | S | A | -1.7577 | |
| 194 | A | A | 0.0000 | |
| 195 | I | A | -1.3812 | |
| 196 | R | A | -2.7647 | |
| 197 | E | A | -2.8748 | |
| 198 | R | A | -1.9786 | |
| 199 | L | A | -1.2392 | |
| 200 | G | A | -1.2584 | |
| 201 | P | A | -0.2394 | |
| 202 | L | A | 0.1833 | |
| 203 | V | A | -0.3270 | |
| 204 | E | A | -0.8655 | |
| 205 | Q | A | -0.9393 | |
| 206 | G | A | -1.2313 | |
| 207 | R | A | -2.0956 | |
| 208 | V | A | -1.4021 | |
| 209 | R | A | -1.1691 | |
| 210 | A | A | -0.4032 | |
| 211 | A | A | -0.1853 | |
| 212 | T | A | 0.5000 | |
| 213 | V | A | 1.9811 | |
| 214 | G | A | 1.1284 | |
| 215 | S | A | 0.0000 | |
| 216 | L | A | 1.9124 | |
| 217 | A | A | 1.0210 | |
| 218 | G | A | 0.0000 | |
| 219 | Q | A | -0.3754 | |
| 220 | P | A | -0.7868 | |
| 221 | L | A | -0.2039 | |
| 222 | Q | A | -1.8498 | |
| 223 | E | A | -2.8205 | |
| 224 | R | A | -2.3198 | |
| 225 | A | A | -1.4109 | |
| 226 | Q | A | -1.2410 | |
| 227 | A | A | -1.0180 | |
| 228 | W | A | -0.1975 | |
| 229 | G | A | -0.8918 | |
| 230 | E | A | -1.5591 | |
| 231 | R | A | -1.4605 | |
| 232 | L | A | -1.1025 | |
| 233 | R | A | -2.5201 | |
| 234 | A | A | -2.1341 | |
| 235 | R | A | 0.0000 | |
| 236 | M | A | -1.1494 | |
| 237 | E | A | -2.8550 | |
| 238 | E | A | -2.8289 | |
| 239 | M | A | -1.6619 | |
| 240 | G | A | -1.7839 | |
| 241 | S | A | -2.2593 | |
| 242 | R | A | -3.0319 | |
| 243 | T | A | -2.5735 | |
| 244 | R | A | -2.9464 | |
| 245 | D | A | 0.0000 | |
| 246 | R | A | -2.2968 | |
| 247 | L | A | 0.0000 | |
| 248 | D | A | -3.3929 | |
| 249 | E | A | -3.1146 | |
| 250 | V | A | -1.9772 | |
| 251 | K | A | -2.6157 | |
| 252 | E | A | -1.7201 | |
| 253 | Q | A | -1.0468 | |
| 254 | V | A | -0.9363 | |
| 255 | A | A | -0.6571 | |
| 256 | E | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | R | A | -1.7387 | |
| 259 | A | A | -1.1523 | |
| 260 | K | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | E | A | -2.5240 | |
| 263 | E | A | 0.0000 | |
| 264 | Q | A | -0.8069 | |
| 265 | A | A | -0.8392 | |
| 266 | Q | A | -1.2697 | |
| 267 | Q | A | 0.0000 | |
| 268 | I | A | 0.5876 | |
| 269 | R | A | -0.7487 | |
| 270 | L | A | 0.0000 | |
| 271 | Q | A | -0.3474 | |
| 272 | A | A | -0.1643 | |
| 273 | E | A | -0.8531 | |
| 274 | A | A | -0.0764 | |
| 275 | F | A | 0.6972 | |
| 276 | Q | A | -0.8733 | |
| 277 | A | A | 0.0000 | |
| 278 | R | A | 0.0000 | |
| 279 | L | A | 0.3071 | |
| 280 | K | A | -0.5075 | |
| 281 | S | A | 0.0000 | |
| 282 | W | A | 0.0000 | |
| 283 | F | A | 1.4290 | |
| 284 | E | A | 0.0965 | |
| 285 | P | A | 0.1883 | |
| 286 | L | A | 0.8453 | |
| 287 | V | A | 0.6660 | |
| 288 | E | A | -0.8717 | |
| 289 | D | A | 0.0000 | |
| 290 | M | A | -0.1189 | |
| 291 | Q | A | -1.7953 | |
| 292 | R | A | -2.1752 | |
| 293 | Q | A | 0.0000 | |
| 294 | W | A | -0.1254 | |
| 295 | A | A | -0.4549 | |
| 296 | G | A | 0.0000 | |
| 297 | L | A | -0.8122 | |
| 298 | V | A | 0.0000 | |
| 299 | E | A | -1.1707 | |
| 300 | K | A | -1.4494 | |
| 301 | V | A | -0.7068 | |
| 302 | Q | A | -1.4013 | |
| 303 | A | A | -0.5521 | |
| 304 | A | A | -0.2556 | |
| 305 | V | A | 0.0000 | |
| 306 | G | A | -0.2428 | |
| 307 | T | A | -0.4511 | |
| 308 | S | A | -1.2269 | |
| 309 | A | A | 0.0000 | |
| 310 | A | A | -0.5033 | |
| 311 | P | A | -0.4320 | |
| 312 | V | A | -0.9321 | |
| 313 | P | A | -1.5103 | |
| 314 | S | A | -2.3259 | |
| 315 | D | A | -3.1400 | |
| 316 | N | A | -2.7419 | |
| 317 | H | A | -2.0858 |
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