| Chain sequence(s) |
A: MKVLWAALLVTFLAGCQAKVEQAVETEPEPELRQQTEWQSGQRWELALGRFWDYLRWVQTLSEQVQEELLSSQVTQELRALMDETMKELKAYKSELEEQLTPVAEETRARLSKELQAAQARLGADMEDVCGRLVQYRGEVQAMLGQSTEELRVRLASHLRKLRKRLLRDADDLQKRLAVYQAGAREGAERGLSAIRERLGPLVEQGRVRAATVGSLAGQPLQERAQAWGERLRARMEEMGSRTRDRLDEVKEQVAEVRAKLEEQAQQIRLQAEAFQARLKSWFEPLVEDMQRQWAGLVEKVQAAVGTSAAPVPSDNH
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:02)
[INFO] Main: Simulation completed successfully. (00:00:05)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.3988 | |
| 2 | K | A | 0.4393 | |
| 3 | V | A | 2.5684 | |
| 4 | L | A | 3.2902 | |
| 5 | W | A | 3.2792 | |
| 6 | A | A | 2.6733 | |
| 7 | A | A | 3.2243 | |
| 8 | L | A | 4.3450 | |
| 9 | L | A | 4.5578 | |
| 10 | V | A | 4.1619 | |
| 11 | T | A | 3.0787 | |
| 12 | F | A | 4.0517 | |
| 13 | L | A | 3.4227 | |
| 14 | A | A | 1.6694 | |
| 15 | G | A | 0.6356 | |
| 16 | C | A | 0.5834 | |
| 17 | Q | A | -0.8046 | |
| 18 | A | A | -1.0863 | |
| 19 | K | A | -1.7983 | |
| 20 | V | A | -0.3955 | |
| 21 | E | A | -1.7242 | |
| 22 | Q | A | -1.7359 | |
| 23 | A | A | -0.5471 | |
| 24 | V | A | -0.0656 | |
| 25 | E | A | -1.7301 | |
| 26 | T | A | -1.6427 | |
| 27 | E | A | -2.8673 | |
| 28 | P | A | -2.5493 | |
| 29 | E | A | -2.9499 | |
| 30 | P | A | -2.2539 | |
| 31 | E | A | -2.0236 | |
| 32 | L | A | -1.8275 | |
| 33 | R | A | -3.2396 | |
| 34 | Q | A | -3.0260 | |
| 35 | Q | A | -1.9852 | |
| 36 | T | A | -1.9511 | |
| 37 | E | A | -2.9061 | |
| 38 | W | A | 0.0000 | |
| 39 | Q | A | -1.4996 | |
| 40 | S | A | -1.3206 | |
| 41 | G | A | -1.0915 | |
| 42 | Q | A | -1.4137 | |
| 43 | R | A | -2.1420 | |
| 44 | W | A | 0.0000 | |
| 45 | E | A | 0.0000 | |
| 46 | L | A | -0.1044 | |
| 47 | A | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | R | A | -1.3692 | |
| 51 | F | A | 0.0000 | |
| 52 | W | A | 0.0000 | |
| 53 | D | A | -2.1109 | |
| 54 | Y | A | -1.2238 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -1.9578 | |
| 57 | W | A | -0.6596 | |
| 58 | V | A | 0.0000 | |
| 59 | Q | A | -1.1049 | |
| 60 | T | A | -0.6730 | |
| 61 | L | A | -0.8673 | |
| 62 | S | A | -1.6103 | |
| 63 | E | A | -2.9787 | |
| 64 | Q | A | -2.8361 | |
| 65 | V | A | 0.0000 | |
| 66 | Q | A | -1.9474 | |
| 67 | E | A | -2.6372 | |
| 68 | E | A | -1.7053 | |
| 69 | L | A | 0.0000 | |
| 70 | L | A | 0.1055 | |
| 71 | S | A | -0.4681 | |
| 72 | S | A | -0.9429 | |
| 73 | Q | A | -1.9502 | |
| 74 | V | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | Q | A | -2.5597 | |
| 77 | E | A | -2.4673 | |
| 78 | L | A | 0.0000 | |
| 79 | R | A | -3.1813 | |
| 80 | A | A | -2.0525 | |
| 81 | L | A | -1.8296 | |
| 82 | M | A | -2.3380 | |
| 83 | D | A | -3.0072 | |
| 84 | E | A | -2.8129 | |
| 85 | T | A | 0.0000 | |
| 86 | M | A | -2.0180 | |
| 87 | K | A | -3.2336 | |
| 88 | E | A | -2.4963 | |
| 89 | L | A | 0.0000 | |
| 90 | K | A | -2.8546 | |
| 91 | A | A | -2.0698 | |
| 92 | Y | A | -1.8539 | |
| 93 | K | A | -1.9178 | |
| 94 | S | A | -2.2535 | |
| 95 | E | A | -3.0159 | |
| 96 | L | A | 0.0000 | |
| 97 | E | A | -2.4622 | |
| 98 | E | A | -3.2090 | |
| 99 | Q | A | -2.9882 | |
| 100 | L | A | -1.9974 | |
| 101 | T | A | -1.5507 | |
| 102 | P | A | -0.4856 | |
| 103 | V | A | -0.5383 | |
| 104 | A | A | -1.3142 | |
| 105 | E | A | -3.0635 | |
| 106 | E | A | -3.2571 | |
| 107 | T | A | -2.3626 | |
| 108 | R | A | -2.6323 | |
| 109 | A | A | -2.6785 | |
| 110 | R | A | -3.4749 | |
| 111 | L | A | -1.7348 | |
| 112 | S | A | -2.2609 | |
| 113 | K | A | -3.0282 | |
| 114 | E | A | -2.2959 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -2.6166 | |
| 117 | A | A | -1.6582 | |
| 118 | A | A | 0.0000 | |
| 119 | Q | A | -1.7186 | |
| 120 | A | A | -1.2619 | |
| 121 | R | A | -2.3073 | |
| 122 | L | A | 0.0000 | |
| 123 | G | A | -1.4726 | |
| 124 | A | A | -1.5921 | |
| 125 | D | A | 0.0000 | |
| 126 | M | A | 0.0000 | |
| 127 | E | A | -2.9315 | |
| 128 | D | A | -2.1175 | |
| 129 | V | A | 0.0000 | |
| 130 | C | A | 0.0000 | |
| 131 | G | A | -1.4267 | |
| 132 | R | A | -1.2679 | |
| 133 | L | A | 0.0000 | |
| 134 | V | A | -0.2331 | |
| 135 | Q | A | -1.2135 | |
| 136 | Y | A | 0.0000 | |
| 137 | R | A | -0.6847 | |
| 138 | G | A | -1.0058 | |
| 139 | E | A | -0.8733 | |
| 140 | V | A | -0.6513 | |
| 141 | Q | A | -0.8899 | |
| 142 | A | A | -0.3110 | |
| 143 | M | A | 0.0292 | |
| 144 | L | A | 0.7607 | |
| 145 | G | A | -0.4284 | |
| 146 | Q | A | -1.2937 | |
| 147 | S | A | -1.5750 | |
| 148 | T | A | -1.7356 | |
| 149 | E | A | -2.8161 | |
| 150 | E | A | -2.6060 | |
| 151 | L | A | 0.0000 | |
| 152 | R | A | -1.3669 | |
| 153 | V | A | -0.2210 | |
| 154 | R | A | -1.3794 | |
| 155 | L | A | 0.0000 | |
| 156 | A | A | -1.0087 | |
| 157 | S | A | -1.3702 | |
| 158 | H | A | -2.0209 | |
| 159 | L | A | 0.0000 | |
| 160 | R | A | -3.2808 | |
| 161 | K | A | -3.2463 | |
| 162 | L | A | -2.1823 | |
| 163 | R | A | 0.0000 | |
| 164 | K | A | -3.1562 | |
| 165 | R | A | -2.7036 | |
| 166 | L | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -2.9714 | |
| 169 | D | A | -2.5233 | |
| 170 | A | A | 0.0000 | |
| 171 | D | A | -2.5628 | |
| 172 | D | A | -2.3219 | |
| 173 | L | A | 0.0000 | |
| 174 | Q | A | -1.7984 | |
| 175 | K | A | -1.9504 | |
| 176 | R | A | -1.0501 | |
| 177 | L | A | 0.0000 | |
| 178 | A | A | -0.0666 | |
| 179 | V | A | 1.1046 | |
| 180 | Y | A | 0.0000 | |
| 181 | Q | A | -1.0376 | |
| 182 | A | A | -0.5642 | |
| 183 | G | A | -0.9183 | |
| 184 | A | A | 0.0000 | |
| 185 | R | A | -3.5812 | |
| 186 | E | A | -3.4980 | |
| 187 | G | A | -2.4631 | |
| 188 | A | A | -2.4120 | |
| 189 | E | A | -3.0640 | |
| 190 | R | A | -2.9303 | |
| 191 | G | A | -1.3004 | |
| 192 | L | A | 0.1290 | |
| 193 | S | A | -1.2637 | |
| 194 | A | A | -0.9718 | |
| 195 | I | A | 0.2480 | |
| 196 | R | A | -1.8534 | |
| 197 | E | A | -2.3641 | |
| 198 | R | A | -1.6201 | |
| 199 | L | A | 0.2062 | |
| 200 | G | A | -0.7418 | |
| 201 | P | A | -0.9540 | |
| 202 | L | A | 0.8969 | |
| 203 | V | A | 0.6757 | |
| 204 | E | A | -1.5952 | |
| 205 | Q | A | -1.5862 | |
| 206 | G | A | -1.4791 | |
| 207 | R | A | -2.1100 | |
| 208 | V | A | -0.3929 | |
| 209 | R | A | -1.6823 | |
| 210 | A | A | -0.9405 | |
| 211 | A | A | -0.2299 | |
| 212 | T | A | 0.4637 | |
| 213 | V | A | 1.7305 | |
| 214 | G | A | 0.6567 | |
| 215 | S | A | 0.7816 | |
| 216 | L | A | 1.6925 | |
| 217 | A | A | 0.3968 | |
| 218 | G | A | -0.9085 | |
| 219 | Q | A | -2.1789 | |
| 220 | P | A | -1.9294 | |
| 221 | L | A | -1.8668 | |
| 222 | Q | A | -3.0311 | |
| 223 | E | A | -3.6258 | |
| 224 | R | A | -3.3322 | |
| 225 | A | A | -2.3651 | |
| 226 | Q | A | -2.9239 | |
| 227 | A | A | -2.3633 | |
| 228 | W | A | -1.2376 | |
| 229 | G | A | -2.1034 | |
| 230 | E | A | -3.2194 | |
| 231 | R | A | -2.8723 | |
| 232 | L | A | -1.4356 | |
| 233 | R | A | -3.0055 | |
| 234 | A | A | -2.8497 | |
| 235 | R | A | -2.9776 | |
| 236 | M | A | -1.6972 | |
| 237 | E | A | -3.0400 | |
| 238 | E | A | -2.9132 | |
| 239 | M | A | -1.6890 | |
| 240 | G | A | -2.4704 | |
| 241 | S | A | -3.0403 | |
| 242 | R | A | -3.7655 | |
| 243 | T | A | -3.2240 | |
| 244 | R | A | -3.9259 | |
| 245 | D | A | -4.6691 | |
| 246 | R | A | -4.2328 | |
| 247 | L | A | -2.4688 | |
| 248 | D | A | -4.1892 | |
| 249 | E | A | -3.9323 | |
| 250 | V | A | -1.5675 | |
| 251 | K | A | -2.7484 | |
| 252 | E | A | -3.5536 | |
| 253 | Q | A | -2.0961 | |
| 254 | V | A | -0.5610 | |
| 255 | A | A | -1.5797 | |
| 256 | E | A | -2.3156 | |
| 257 | V | A | -0.7064 | |
| 258 | R | A | -2.2763 | |
| 259 | A | A | -2.3745 | |
| 260 | K | A | -2.8321 | |
| 261 | L | A | -1.8582 | |
| 262 | E | A | -3.5388 | |
| 263 | E | A | -4.0688 | |
| 264 | Q | A | -3.1087 | |
| 265 | A | A | -2.2454 | |
| 266 | Q | A | -2.9983 | |
| 267 | Q | A | -2.3059 | |
| 268 | I | A | -0.7191 | |
| 269 | R | A | -1.8771 | |
| 270 | L | A | -0.5111 | |
| 271 | Q | A | -0.9117 | |
| 272 | A | A | -1.0181 | |
| 273 | E | A | -1.6935 | |
| 274 | A | A | -0.7408 | |
| 275 | F | A | -0.1371 | |
| 276 | Q | A | -1.5110 | |
| 277 | A | A | -1.5919 | |
| 278 | R | A | -1.5362 | |
| 279 | L | A | -0.6307 | |
| 280 | K | A | -1.7655 | |
| 281 | S | A | -0.8306 | |
| 282 | W | A | 0.6933 | |
| 283 | F | A | 0.7220 | |
| 284 | E | A | -1.0533 | |
| 285 | P | A | -0.4804 | |
| 286 | L | A | 0.9998 | |
| 287 | V | A | -0.0268 | |
| 288 | E | A | -2.3138 | |
| 289 | D | A | -1.9643 | |
| 290 | M | A | -0.6768 | |
| 291 | Q | A | -1.9498 | |
| 292 | R | A | -2.6738 | |
| 293 | Q | A | -1.4361 | |
| 294 | W | A | -0.0053 | |
| 295 | A | A | -0.4938 | |
| 296 | G | A | -0.4826 | |
| 297 | L | A | 1.0299 | |
| 298 | V | A | 1.1727 | |
| 299 | E | A | -0.9997 | |
| 300 | K | A | -0.8021 | |
| 301 | V | A | 1.1191 | |
| 302 | Q | A | -0.4164 | |
| 303 | A | A | -0.3035 | |
| 304 | A | A | 0.4142 | |
| 305 | V | A | 1.1541 | |
| 306 | G | A | 0.0956 | |
| 307 | T | A | 0.0619 | |
| 308 | S | A | 0.2116 | |
| 309 | A | A | 0.3300 | |
| 310 | A | A | 0.2086 | |
| 311 | P | A | 0.5266 | |
| 312 | V | A | 1.2913 | |
| 313 | P | A | -0.1672 | |
| 314 | S | A | -1.0902 | |
| 315 | D | A | -2.6161 | |
| 316 | N | A | -2.7151 | |
| 317 | H | A | -2.0595 |
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