| Chain sequence(s) |
A: MIMSDPAMLPPGFRFHPTDEELILHYLRNRAAQSPCPVSIIADVDIYKFDPWALPSKASYGDREWYFFTPRDRKYPNGVRPNRAAGSGYWKATGTDKPIRCSATGESVGVKKALVFYKGRPPKGIKTNWIMHEYRLAAADAHAANTYRPMKFRNASMRLDDWVLCRIYKKTSQVSPMAVPPLSDHELDEPSGAGAYPMSSAGMTMQGGAGGYTLQAAVPGTQRMPKIPSISELLNDYSLAQLFDDSGHALMARHDQHAALFGHPIMSQFHVNSSGNNMSQLGQMDSPASTSVARDGAAGKRKRLSEEDGEHNGSTSQPAAAVTNKKPNSSCFGATTFQVGNNTLQGSLGQPLLHF
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] (00:00:00)
[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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:03)
|
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 | 2.2789 | |
| 2 | I | A | 2.8577 | |
| 3 | M | A | 2.1878 | |
| 4 | S | A | 0.7768 | |
| 5 | D | A | -0.0564 | |
| 6 | P | A | 0.2447 | |
| 7 | A | A | 0.5859 | |
| 8 | M | A | 1.2493 | |
| 9 | L | A | 0.9578 | |
| 10 | P | A | 0.3270 | |
| 11 | P | A | -0.0077 | |
| 12 | G | A | -0.0650 | |
| 13 | F | A | 0.9462 | |
| 14 | R | A | -1.1021 | |
| 15 | F | A | -0.5923 | |
| 16 | H | A | -1.2750 | |
| 17 | P | A | 0.0000 | |
| 18 | T | A | -0.9047 | |
| 19 | D | A | -1.5055 | |
| 20 | E | A | -1.4583 | |
| 21 | E | A | -1.4759 | |
| 22 | L | A | 0.0000 | |
| 23 | I | A | 0.0000 | |
| 24 | L | A | -0.8270 | |
| 25 | H | A | -1.1882 | |
| 26 | Y | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | R | A | -1.2359 | |
| 29 | N | A | -1.3267 | |
| 30 | R | A | -1.5425 | |
| 31 | A | A | 0.0000 | |
| 32 | A | A | -1.2767 | |
| 33 | Q | A | -1.7316 | |
| 34 | S | A | -1.1715 | |
| 35 | P | A | -0.5404 | |
| 36 | C | A | -0.2498 | |
| 37 | P | A | 0.6883 | |
| 38 | V | A | 0.4574 | |
| 39 | S | A | -0.2048 | |
| 40 | I | A | 0.0000 | |
| 41 | I | A | 0.0000 | |
| 42 | A | A | -1.0515 | |
| 43 | D | A | -1.8360 | |
| 44 | V | A | -1.1998 | |
| 45 | D | A | -1.0291 | |
| 46 | I | A | 0.0000 | |
| 47 | Y | A | -0.9376 | |
| 48 | K | A | -1.6582 | |
| 49 | F | A | -0.5571 | |
| 50 | D | A | -0.4481 | |
| 51 | P | A | 0.0000 | |
| 52 | W | A | 0.4591 | |
| 53 | A | A | 0.0344 | |
| 54 | L | A | 0.0000 | |
| 55 | P | A | -0.9393 | |
| 56 | S | A | -0.7244 | |
| 57 | K | A | -1.4842 | |
| 58 | A | A | -1.1021 | |
| 59 | S | A | -0.6125 | |
| 60 | Y | A | -0.7262 | |
| 61 | G | A | -1.6839 | |
| 62 | D | A | -2.8674 | |
| 63 | R | A | -3.2726 | |
| 64 | E | A | -1.8979 | |
| 65 | W | A | -1.0653 | |
| 66 | Y | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | 0.0000 | |
| 70 | P | A | -0.8977 | |
| 71 | R | A | 0.0000 | |
| 72 | D | A | -1.2613 | |
| 73 | R | A | 0.0000 | |
| 74 | K | A | -1.3514 | |
| 75 | Y | A | -0.0009 | |
| 76 | P | A | -0.7637 | |
| 77 | N | A | -1.1570 | |
| 78 | G | A | -0.3217 | |
| 79 | V | A | 0.4183 | |
| 80 | R | A | -1.5272 | |
| 81 | P | A | -1.2388 | |
| 82 | N | A | -1.3627 | |
| 83 | R | A | -1.4878 | |
| 84 | A | A | -1.0955 | |
| 85 | A | A | 0.0000 | |
| 86 | G | A | -1.0724 | |
| 87 | S | A | -1.2223 | |
| 88 | G | A | -1.4115 | |
| 89 | Y | A | -1.2422 | |
| 90 | W | A | 0.0000 | |
| 91 | K | A | -1.8177 | |
| 92 | A | A | -1.0219 | |
| 93 | T | A | -0.7866 | |
| 94 | G | A | -0.9396 | |
| 95 | T | A | -1.1784 | |
| 96 | D | A | -1.7903 | |
| 97 | K | A | -2.5335 | |
| 98 | P | A | -2.0078 | |
| 99 | I | A | 0.0000 | |
| 100 | R | A | -2.9637 | |
| 101 | C | A | -1.8420 | |
| 102 | S | A | -1.0861 | |
| 103 | A | A | -0.6318 | |
| 104 | T | A | -1.0879 | |
| 105 | G | A | -1.7198 | |
| 106 | E | A | -2.6659 | |
| 107 | S | A | -1.9547 | |
| 108 | V | A | 0.0000 | |
| 109 | G | A | 0.0000 | |
| 110 | V | A | -1.1611 | |
| 111 | K | A | -1.2404 | |
| 112 | K | A | -1.1105 | |
| 113 | A | A | -0.8704 | |
| 114 | L | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | Y | A | -1.4963 | |
| 118 | K | A | -1.8600 | |
| 119 | G | A | -1.9638 | |
| 120 | R | A | -2.6015 | |
| 121 | P | A | -2.0080 | |
| 122 | P | A | -1.4515 | |
| 123 | K | A | -2.3833 | |
| 124 | G | A | -1.7417 | |
| 125 | I | A | 0.0087 | |
| 126 | K | A | -1.5176 | |
| 127 | T | A | -1.2624 | |
| 128 | N | A | -1.9484 | |
| 129 | W | A | 0.0000 | |
| 130 | I | A | -0.8474 | |
| 131 | M | A | 0.0000 | |
| 132 | H | A | -0.2199 | |
| 133 | E | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | R | A | -0.4374 | |
| 136 | L | A | -0.2177 | |
| 137 | A | A | -0.5687 | |
| 138 | A | A | -0.1239 | |
| 139 | A | A | -0.3643 | |
| 140 | D | A | -0.6629 | |
| 141 | A | A | -1.0940 | |
| 142 | H | A | -1.4534 | |
| 143 | A | A | -0.7978 | |
| 144 | A | A | -1.1802 | |
| 145 | N | A | -2.0026 | |
| 146 | T | A | -1.4432 | |
| 147 | Y | A | -1.2208 | |
| 148 | R | A | -1.8532 | |
| 149 | P | A | -0.6045 | |
| 150 | M | A | -0.0698 | |
| 151 | K | A | -0.9709 | |
| 152 | F | A | 0.4660 | |
| 153 | R | A | -0.6775 | |
| 154 | N | A | -1.1685 | |
| 155 | A | A | -0.4979 | |
| 156 | S | A | -0.4841 | |
| 157 | M | A | -0.4221 | |
| 158 | R | A | -1.0751 | |
| 159 | L | A | -0.8642 | |
| 160 | D | A | -1.2161 | |
| 161 | D | A | -1.5496 | |
| 162 | W | A | -0.8938 | |
| 163 | V | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | C | A | 0.0000 | |
| 166 | R | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | Y | A | -1.6490 | |
| 169 | K | A | -2.8011 | |
| 170 | K | A | -3.0362 | |
| 171 | T | A | -1.6102 | |
| 172 | S | A | -1.0727 | |
| 173 | Q | A | -0.7881 | |
| 174 | V | A | 1.1108 | |
| 175 | S | A | 0.5094 | |
| 176 | P | A | 0.7517 | |
| 177 | M | A | 1.6141 | |
| 178 | A | A | 1.4660 | |
| 179 | V | A | 2.0860 | |
| 180 | P | A | 0.9931 | |
| 181 | P | A | 0.5502 | |
| 182 | L | A | 0.9021 | |
| 183 | S | A | -0.9325 | |
| 184 | D | A | -2.3113 | |
| 185 | H | A | -2.4057 | |
| 186 | E | A | -2.6669 | |
| 187 | L | A | -1.1327 | |
| 188 | D | A | -2.4913 | |
| 189 | E | A | -2.6518 | |
| 190 | P | A | -1.7524 | |
| 191 | S | A | -0.9606 | |
| 192 | G | A | -0.6958 | |
| 193 | A | A | -0.4235 | |
| 194 | G | A | -0.2527 | |
| 195 | A | A | 0.4197 | |
| 196 | Y | A | 1.3345 | |
| 197 | P | A | 0.9607 | |
| 198 | M | A | 1.0625 | |
| 199 | S | A | 0.1582 | |
| 200 | S | A | -0.1836 | |
| 201 | A | A | -0.1100 | |
| 202 | G | A | 0.0488 | |
| 203 | M | A | 1.0138 | |
| 204 | T | A | 0.6064 | |
| 205 | M | A | 0.5660 | |
| 206 | Q | A | -1.0340 | |
| 207 | G | A | -1.1331 | |
| 208 | G | A | -1.0805 | |
| 209 | A | A | -0.6034 | |
| 210 | G | A | -0.5695 | |
| 211 | G | A | -0.1052 | |
| 212 | Y | A | 1.3027 | |
| 213 | T | A | 0.8934 | |
| 214 | L | A | 1.2426 | |
| 215 | Q | A | -0.4211 | |
| 216 | A | A | 0.2152 | |
| 217 | A | A | 0.6172 | |
| 218 | V | A | 1.5601 | |
| 219 | P | A | 0.2510 | |
| 220 | G | A | -0.7392 | |
| 221 | T | A | -1.1127 | |
| 222 | Q | A | -2.0334 | |
| 223 | R | A | -2.2967 | |
| 224 | M | A | -0.4746 | |
| 225 | P | A | -0.6946 | |
| 226 | K | A | -0.9234 | |
| 227 | I | A | 1.3447 | |
| 228 | P | A | 0.4188 | |
| 229 | S | A | 0.7775 | |
| 230 | I | A | 2.1511 | |
| 231 | S | A | 0.4379 | |
| 232 | E | A | -0.8934 | |
| 233 | L | A | 1.3285 | |
| 234 | L | A | 1.2821 | |
| 235 | N | A | -0.9519 | |
| 236 | D | A | -1.1761 | |
| 237 | Y | A | 1.0514 | |
| 238 | S | A | 0.5689 | |
| 239 | L | A | 1.8459 | |
| 240 | A | A | 0.8461 | |
| 241 | Q | A | -0.1192 | |
| 242 | L | A | 1.5245 | |
| 243 | F | A | 1.2601 | |
| 244 | D | A | -1.7159 | |
| 245 | D | A | -2.4065 | |
| 246 | S | A | -1.7681 | |
| 247 | G | A | -1.6554 | |
| 248 | H | A | -0.9083 | |
| 249 | A | A | 0.6045 | |
| 250 | L | A | 1.8799 | |
| 251 | M | A | 1.4570 | |
| 252 | A | A | -0.1823 | |
| 253 | R | A | -2.4732 | |
| 254 | H | A | -2.9974 | |
| 255 | D | A | -3.4265 | |
| 256 | Q | A | -2.7403 | |
| 257 | H | A | -1.8549 | |
| 258 | A | A | -0.3531 | |
| 259 | A | A | 1.1741 | |
| 260 | L | A | 2.4282 | |
| 261 | F | A | 2.2622 | |
| 262 | G | A | 0.2687 | |
| 263 | H | A | -0.4386 | |
| 264 | P | A | 0.4215 | |
| 265 | I | A | 2.0903 | |
| 266 | M | A | 1.6032 | |
| 267 | S | A | 0.5821 | |
| 268 | Q | A | -0.3318 | |
| 269 | F | A | 1.2291 | |
| 270 | H | A | 0.2680 | |
| 271 | V | A | 1.0667 | |
| 272 | N | A | -0.7860 | |
| 273 | S | A | -0.7136 | |
| 274 | S | A | -1.0930 | |
| 275 | G | A | -1.5010 | |
| 276 | N | A | -1.9822 | |
| 277 | N | A | -1.5933 | |
| 278 | M | A | -0.2122 | |
| 279 | S | A | -0.2148 | |
| 280 | Q | A | -0.3094 | |
| 281 | L | A | 0.3642 | |
| 282 | G | A | -0.5563 | |
| 283 | Q | A | -0.9890 | |
| 284 | M | A | -0.7070 | |
| 285 | D | A | -1.7107 | |
| 286 | S | A | -0.9704 | |
| 287 | P | A | -0.7591 | |
| 288 | A | A | -0.2286 | |
| 289 | S | A | -0.3165 | |
| 290 | T | A | 0.0906 | |
| 291 | S | A | 0.7132 | |
| 292 | V | A | 1.2973 | |
| 293 | A | A | -0.4227 | |
| 294 | R | A | -2.4169 | |
| 295 | D | A | -2.8781 | |
| 296 | G | A | -1.6547 | |
| 297 | A | A | -0.6435 | |
| 298 | A | A | -0.6200 | |
| 299 | G | A | -1.6598 | |
| 300 | K | A | -3.1461 | |
| 301 | R | A | -3.9474 | |
| 302 | K | A | -3.5423 | |
| 303 | R | A | -2.3326 | |
| 304 | L | A | -0.1486 | |
| 305 | S | A | -0.9535 | |
| 306 | E | A | -2.8782 | |
| 307 | E | A | -3.8598 | |
| 308 | D | A | -3.7817 | |
| 309 | G | A | -2.7927 | |
| 310 | E | A | -3.1546 | |
| 311 | H | A | -2.7107 | |
| 312 | N | A | -2.4079 | |
| 313 | G | A | -1.4143 | |
| 314 | S | A | -0.8168 | |
| 315 | T | A | -0.6285 | |
| 316 | S | A | -0.9247 | |
| 317 | Q | A | -1.4436 | |
| 318 | P | A | -0.9265 | |
| 319 | A | A | -0.2777 | |
| 320 | A | A | 0.4207 | |
| 321 | A | A | 0.9473 | |
| 322 | V | A | 1.5214 | |
| 323 | T | A | -0.1791 | |
| 324 | N | A | -2.1116 | |
| 325 | K | A | -3.2266 | |
| 326 | K | A | -3.2236 | |
| 327 | P | A | -2.3027 | |
| 328 | N | A | -1.9417 | |
| 329 | S | A | -0.6066 | |
| 330 | S | A | 0.2168 | |
| 331 | C | A | 1.4034 | |
| 332 | F | A | 2.0040 | |
| 333 | G | A | 0.6562 | |
| 334 | A | A | 0.2522 | |
| 335 | T | A | 0.3460 | |
| 336 | T | A | 0.7372 | |
| 337 | F | A | 1.6562 | |
| 338 | Q | A | 0.3174 | |
| 339 | V | A | 1.0781 | |
| 340 | G | A | -0.6044 | |
| 341 | N | A | -1.8222 | |
| 342 | N | A | -1.6931 | |
| 343 | T | A | -0.4603 | |
| 344 | L | A | 0.5711 | |
| 345 | Q | A | -0.7407 | |
| 346 | G | A | -0.5248 | |
| 347 | S | A | -0.0904 | |
| 348 | L | A | 0.8694 | |
| 349 | G | A | -0.4046 | |
| 350 | Q | A | -0.8956 | |
| 351 | P | A | 0.0163 | |
| 352 | L | A | 1.9115 | |
| 353 | L | A | 2.2330 | |
| 354 | H | A | 1.2914 | |
| 355 | F | A | 1.9301 |
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