| Chain sequence(s) |
A: MASVLQKLITPLFTGTPEPPRNKVTVVGVGQVGMACAVSILLRELADELALVDVVEDKLKGEMMDLQHGSLFLKTPKIVADKDYSVTANSRIVVVTAGVRQQEGESRLNLVQRNVNIFKHIIPQIVRYSPDCIIIVVSNPVDVLTYVTWKLSGLPKHRVIGSGTNLDSARFRFLMADKLGIHSSSFNGWILGEHGDTSVPVWSGTNVAGVNLQTLNPNIGTDFDEENWKETHKMVVDSAYEVIKLKGYTNWAIGLSVADLTESLMRNMNRIHPVSTMVQGMYGISDEVYLSLPCVLNSGGVASVVNMTLTDEEVAQLQASANTLWDIQRDLRDI
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:06)
[INFO] Main: Simulation completed successfully. (00:08:10)
|
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 | 0.9369 | |
| 2 | A | A | 0.4933 | |
| 3 | S | A | 0.7797 | |
| 4 | V | A | 2.0900 | |
| 5 | L | A | 1.8081 | |
| 6 | Q | A | 0.0397 | |
| 7 | K | A | -0.0859 | |
| 8 | L | A | 1.8442 | |
| 9 | I | A | 1.9290 | |
| 10 | T | A | 0.9679 | |
| 11 | P | A | 1.5099 | |
| 12 | L | A | 2.4473 | |
| 13 | F | A | 2.4270 | |
| 14 | T | A | 0.9416 | |
| 15 | G | A | -0.0021 | |
| 16 | T | A | -0.6117 | |
| 17 | P | A | -1.1211 | |
| 18 | E | A | -2.4154 | |
| 19 | P | A | -2.0334 | |
| 20 | P | A | -2.2713 | |
| 21 | R | A | -2.8133 | |
| 22 | N | A | -2.0239 | |
| 23 | K | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | T | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | V | A | 0.0000 | |
| 28 | G | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | G | A | -0.8060 | |
| 31 | Q | A | -0.8067 | |
| 32 | V | A | 0.0964 | |
| 33 | G | A | 0.0000 | |
| 34 | M | A | 0.0019 | |
| 35 | A | A | 0.0000 | |
| 36 | C | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | V | A | 1.0175 | |
| 39 | S | A | 0.0000 | |
| 40 | I | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | L | A | 0.9638 | |
| 43 | R | A | -0.6493 | |
| 44 | E | A | -1.5695 | |
| 45 | L | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | D | A | -1.9930 | |
| 48 | E | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | V | A | 0.0000 | |
| 53 | D | A | -0.7253 | |
| 54 | V | A | 0.5848 | |
| 55 | V | A | -0.3687 | |
| 56 | E | A | -2.8116 | |
| 57 | D | A | -3.1352 | |
| 58 | K | A | -2.5005 | |
| 59 | L | A | 0.0000 | |
| 60 | K | A | -2.6539 | |
| 61 | G | A | -2.3687 | |
| 62 | E | A | -2.0651 | |
| 63 | M | A | -1.3434 | |
| 64 | M | A | -1.1769 | |
| 65 | D | A | -2.2848 | |
| 66 | L | A | -0.9109 | |
| 67 | Q | A | -1.0913 | |
| 68 | H | A | -1.1167 | |
| 69 | G | A | 0.0411 | |
| 70 | S | A | 0.1637 | |
| 71 | L | A | 1.9057 | |
| 72 | F | A | 2.4410 | |
| 73 | L | A | 0.6681 | |
| 74 | K | A | -1.4529 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | -1.3054 | |
| 77 | K | A | -1.7062 | |
| 78 | I | A | 0.0000 | |
| 79 | V | A | -0.1537 | |
| 80 | A | A | 0.0000 | |
| 81 | D | A | -2.0990 | |
| 82 | K | A | -2.2930 | |
| 83 | D | A | -2.5197 | |
| 84 | Y | A | 0.0000 | |
| 85 | S | A | -1.3084 | |
| 86 | V | A | -0.7434 | |
| 87 | T | A | 0.0000 | |
| 88 | A | A | -0.8540 | |
| 89 | N | A | -2.1390 | |
| 90 | S | A | 0.0000 | |
| 91 | R | A | -1.5869 | |
| 92 | I | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | T | A | -0.3458 | |
| 97 | A | A | -0.1826 | |
| 98 | G | A | -1.0135 | |
| 99 | V | A | -1.1413 | |
| 100 | R | A | -2.9795 | |
| 101 | Q | A | -3.6581 | |
| 102 | Q | A | -3.4784 | |
| 103 | E | A | -3.1956 | |
| 104 | G | A | -2.1121 | |
| 105 | E | A | -2.4361 | |
| 106 | S | A | -1.7613 | |
| 107 | R | A | -1.7105 | |
| 108 | L | A | -1.0227 | |
| 109 | N | A | -1.7675 | |
| 110 | L | A | -1.9154 | |
| 111 | V | A | 0.0000 | |
| 112 | Q | A | 0.0000 | |
| 113 | R | A | -1.2213 | |
| 114 | N | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | N | A | -1.7079 | |
| 117 | I | A | -0.6121 | |
| 118 | F | A | 0.0000 | |
| 119 | K | A | -1.4845 | |
| 120 | H | A | -1.4967 | |
| 121 | I | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | P | A | -1.2352 | |
| 124 | Q | A | -1.7366 | |
| 125 | I | A | 0.0000 | |
| 126 | V | A | -1.3461 | |
| 127 | R | A | -2.2381 | |
| 128 | Y | A | -1.2951 | |
| 129 | S | A | 0.0000 | |
| 130 | P | A | -1.8300 | |
| 131 | D | A | -2.3957 | |
| 132 | C | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | N | A | -1.7245 | |
| 140 | P | A | -1.0230 | |
| 141 | V | A | 0.0000 | |
| 142 | D | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | T | A | 0.0000 | |
| 149 | W | A | -0.6592 | |
| 150 | K | A | -0.7577 | |
| 151 | L | A | -0.2125 | |
| 152 | S | A | -0.8800 | |
| 153 | G | A | -0.8424 | |
| 154 | L | A | 0.0000 | |
| 155 | P | A | -1.4315 | |
| 156 | K | A | -1.9491 | |
| 157 | H | A | -1.3952 | |
| 158 | R | A | -1.2985 | |
| 159 | V | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | T | A | 0.0000 | |
| 165 | N | A | 0.0137 | |
| 166 | L | A | 0.1938 | |
| 167 | D | A | 0.0000 | |
| 168 | S | A | 0.0000 | |
| 169 | A | A | -0.0274 | |
| 170 | R | A | 0.0344 | |
| 171 | F | A | 0.0000 | |
| 172 | R | A | -0.6427 | |
| 173 | F | A | 0.0763 | |
| 174 | L | A | -0.3956 | |
| 175 | M | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | D | A | -2.0507 | |
| 178 | K | A | -1.6457 | |
| 179 | L | A | -0.4688 | |
| 180 | G | A | -0.9470 | |
| 181 | I | A | -0.2030 | |
| 182 | H | A | -0.9323 | |
| 183 | S | A | -0.6705 | |
| 184 | S | A | -0.4941 | |
| 185 | S | A | -0.4488 | |
| 186 | F | A | 0.0000 | |
| 187 | N | A | -0.7483 | |
| 188 | G | A | 0.0000 | |
| 189 | W | A | -0.1272 | |
| 190 | I | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | E | A | 0.0000 | |
| 194 | H | A | -0.8041 | |
| 195 | G | A | -1.4176 | |
| 196 | D | A | -2.3113 | |
| 197 | T | A | -1.1384 | |
| 198 | S | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | P | A | -0.3917 | |
| 201 | V | A | 0.0000 | |
| 202 | W | A | 0.0000 | |
| 203 | S | A | -0.3498 | |
| 204 | G | A | -0.3571 | |
| 205 | T | A | 0.0000 | |
| 206 | N | A | -0.2129 | |
| 207 | V | A | 0.4607 | |
| 208 | A | A | 0.1958 | |
| 209 | G | A | 0.0513 | |
| 210 | V | A | 1.1108 | |
| 211 | N | A | 0.2443 | |
| 212 | L | A | 0.0000 | |
| 213 | Q | A | -0.2887 | |
| 214 | T | A | 0.3490 | |
| 215 | L | A | 1.2678 | |
| 216 | N | A | -0.4227 | |
| 217 | P | A | -0.2176 | |
| 218 | N | A | -1.1869 | |
| 219 | I | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | T | A | -1.4739 | |
| 222 | D | A | -1.6196 | |
| 223 | F | A | -0.1237 | |
| 224 | D | A | 0.0000 | |
| 225 | E | A | -2.9518 | |
| 226 | E | A | -3.4168 | |
| 227 | N | A | -3.5523 | |
| 228 | W | A | 0.0000 | |
| 229 | K | A | -2.8058 | |
| 230 | E | A | -3.2021 | |
| 231 | T | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | K | A | -2.8819 | |
| 234 | M | A | -1.5462 | |
| 235 | V | A | 0.0000 | |
| 236 | V | A | -1.7390 | |
| 237 | D | A | -2.0880 | |
| 238 | S | A | 0.0000 | |
| 239 | A | A | -0.0588 | |
| 240 | Y | A | 0.2810 | |
| 241 | E | A | -1.1233 | |
| 242 | V | A | 0.1203 | |
| 243 | I | A | 0.4324 | |
| 244 | K | A | -0.8711 | |
| 245 | L | A | 0.4911 | |
| 246 | K | A | -0.4665 | |
| 247 | G | A | -0.1932 | |
| 248 | Y | A | 0.4451 | |
| 249 | T | A | 0.5256 | |
| 250 | N | A | 0.0000 | |
| 251 | W | A | 1.6173 | |
| 252 | A | A | 1.1889 | |
| 253 | I | A | 1.0749 | |
| 254 | G | A | 0.0000 | |
| 255 | L | A | 1.5455 | |
| 256 | S | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | D | A | -0.2608 | |
| 260 | L | A | 0.0000 | |
| 261 | T | A | 0.0000 | |
| 262 | E | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | M | A | 0.0000 | |
| 266 | R | A | -2.2042 | |
| 267 | N | A | -2.3864 | |
| 268 | M | A | -1.3813 | |
| 269 | N | A | -1.6734 | |
| 270 | R | A | -0.7045 | |
| 271 | I | A | 0.7878 | |
| 272 | H | A | 0.0000 | |
| 273 | P | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | S | A | 0.0000 | |
| 276 | T | A | 0.0000 | |
| 277 | M | A | -0.8607 | |
| 278 | V | A | 0.0000 | |
| 279 | Q | A | -1.8964 | |
| 280 | G | A | -1.2806 | |
| 281 | M | A | -0.6809 | |
| 282 | Y | A | -0.3691 | |
| 283 | G | A | -0.7804 | |
| 284 | I | A | 0.0000 | |
| 285 | S | A | -1.4517 | |
| 286 | D | A | -1.6596 | |
| 287 | E | A | -1.5275 | |
| 288 | V | A | 0.0000 | |
| 289 | Y | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | P | A | 0.0000 | |
| 294 | C | A | 0.0000 | |
| 295 | V | A | 0.3455 | |
| 296 | L | A | 0.0000 | |
| 297 | N | A | -1.4230 | |
| 298 | S | A | -1.3070 | |
| 299 | G | A | -1.0490 | |
| 300 | G | A | 0.0000 | |
| 301 | V | A | -0.3721 | |
| 302 | A | A | -0.3024 | |
| 303 | S | A | 0.0402 | |
| 304 | V | A | 0.6214 | |
| 305 | V | A | 0.3902 | |
| 306 | N | A | -0.7693 | |
| 307 | M | A | -0.2466 | |
| 308 | T | A | -0.3628 | |
| 309 | L | A | -0.6748 | |
| 310 | T | A | -1.4576 | |
| 311 | D | A | -2.6597 | |
| 312 | E | A | -2.8370 | |
| 313 | E | A | 0.0000 | |
| 314 | V | A | -1.2828 | |
| 315 | A | A | -1.5425 | |
| 316 | Q | A | -1.7830 | |
| 317 | L | A | 0.0000 | |
| 318 | Q | A | -1.1853 | |
| 319 | A | A | -0.8425 | |
| 320 | S | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | N | A | -1.8226 | |
| 323 | T | A | -1.0297 | |
| 324 | L | A | 0.0000 | |
| 325 | W | A | -1.7351 | |
| 326 | D | A | -2.4255 | |
| 327 | I | A | 0.0000 | |
| 328 | Q | A | 0.0000 | |
| 329 | R | A | -2.9585 | |
| 330 | D | A | -3.0425 | |
| 331 | L | A | -2.3613 | |
| 332 | R | A | -3.0340 | |
| 333 | D | A | -2.4259 | |
| 334 | I | A | -0.6695 |
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