| Chain sequence(s) |
A: HHHHHHMSPILYWKIGLVQTPRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPKSDGSTSGSGSAGLVPRGSTAIGMKETAAAKFERQHMDSPDLGTGGGSGDDDDKSPMGYRGSGTSLYKKAGFTMVLRGGSGGSGGSVLKGGSGGSGGSVLRGGSGGSGGSVLKGGSGGSGGSVLRGGSGGSGGSVLKGGSGGSGGSVLR
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] (00:00:01)
[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 minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:17)
[INFO] Main: Simulation completed successfully. (00:06:19)
|
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 | H | A | -1.8691 | |
| 2 | H | A | -2.3792 | |
| 3 | H | A | -2.6676 | |
| 4 | H | A | -2.6211 | |
| 5 | H | A | -2.2961 | |
| 6 | H | A | -2.0407 | |
| 7 | M | A | -1.0161 | |
| 8 | S | A | -1.2856 | |
| 9 | P | A | 0.0000 | |
| 10 | I | A | -0.8920 | |
| 11 | L | A | 0.0000 | |
| 12 | Y | A | 0.0000 | |
| 13 | W | A | 0.0000 | |
| 14 | K | A | -1.0691 | |
| 15 | I | A | 0.0000 | |
| 16 | G | A | 0.0000 | |
| 17 | L | A | 0.2111 | |
| 18 | V | A | 0.0000 | |
| 19 | Q | A | 0.0000 | |
| 20 | T | A | 0.0380 | |
| 21 | P | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | E | A | -1.5244 | |
| 27 | Y | A | -0.6573 | |
| 28 | L | A | -1.1224 | |
| 29 | E | A | -2.4420 | |
| 30 | E | A | -2.1340 | |
| 31 | K | A | -2.7441 | |
| 32 | Y | A | -1.8912 | |
| 33 | E | A | -2.2048 | |
| 34 | E | A | -1.5393 | |
| 35 | H | A | -1.4582 | |
| 36 | L | A | -1.0575 | |
| 37 | Y | A | 0.0000 | |
| 38 | E | A | -3.0721 | |
| 39 | R | A | -3.7970 | |
| 40 | D | A | -3.7816 | |
| 41 | E | A | -3.5043 | |
| 42 | G | A | -3.4316 | |
| 43 | D | A | -4.1279 | |
| 44 | K | A | -4.0503 | |
| 45 | W | A | 0.0000 | |
| 46 | R | A | -3.8239 | |
| 47 | N | A | -3.5815 | |
| 48 | K | A | -2.9129 | |
| 49 | K | A | -1.4987 | |
| 50 | F | A | 0.0165 | |
| 51 | E | A | -1.7483 | |
| 52 | L | A | -0.9456 | |
| 53 | G | A | -1.0893 | |
| 54 | L | A | 0.0000 | |
| 55 | E | A | -0.8491 | |
| 56 | F | A | 0.9317 | |
| 57 | P | A | 0.1285 | |
| 58 | N | A | -0.2252 | |
| 59 | L | A | 0.0000 | |
| 60 | P | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | Y | A | 0.0000 | |
| 63 | I | A | -0.6303 | |
| 64 | D | A | -1.0016 | |
| 65 | G | A | -1.5870 | |
| 66 | D | A | -2.1087 | |
| 67 | V | A | -0.9699 | |
| 68 | K | A | -1.1871 | |
| 69 | L | A | -0.4505 | |
| 70 | T | A | -0.4327 | |
| 71 | Q | A | -0.8698 | |
| 72 | S | A | -0.6212 | |
| 73 | M | A | -0.4952 | |
| 74 | A | A | -0.4524 | |
| 75 | I | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | -1.4713 | |
| 78 | Y | A | -1.3390 | |
| 79 | I | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | D | A | -3.3258 | |
| 82 | K | A | -3.1845 | |
| 83 | H | A | -2.4625 | |
| 84 | N | A | -2.6599 | |
| 85 | M | A | 0.0000 | |
| 86 | L | A | -1.7074 | |
| 87 | G | A | -1.7303 | |
| 88 | G | A | -1.2133 | |
| 89 | C | A | -1.0232 | |
| 90 | P | A | -1.6296 | |
| 91 | K | A | -2.5950 | |
| 92 | E | A | -2.2931 | |
| 93 | R | A | -2.1290 | |
| 94 | A | A | -1.4511 | |
| 95 | E | A | -1.4212 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -0.7204 | |
| 98 | M | A | -0.0062 | |
| 99 | L | A | 0.0000 | |
| 100 | E | A | 0.0000 | |
| 101 | G | A | -0.4627 | |
| 102 | A | A | -0.4298 | |
| 103 | V | A | 0.0000 | |
| 104 | L | A | -0.5444 | |
| 105 | D | A | -1.5838 | |
| 106 | I | A | 0.0000 | |
| 107 | R | A | 0.0000 | |
| 108 | Y | A | -0.7324 | |
| 109 | G | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | R | A | -1.5740 | |
| 113 | I | A | -1.2436 | |
| 114 | A | A | 0.0000 | |
| 115 | Y | A | -1.1176 | |
| 116 | S | A | -1.7758 | |
| 117 | K | A | -2.7329 | |
| 118 | D | A | -3.0540 | |
| 119 | F | A | 0.0000 | |
| 120 | E | A | -2.3979 | |
| 121 | T | A | -1.3781 | |
| 122 | L | A | -1.0244 | |
| 123 | K | A | -0.6621 | |
| 124 | V | A | 0.3056 | |
| 125 | D | A | -1.4478 | |
| 126 | F | A | 0.0000 | |
| 127 | L | A | -0.5720 | |
| 128 | S | A | -1.3328 | |
| 129 | K | A | -2.2916 | |
| 130 | L | A | 0.0000 | |
| 131 | P | A | -1.6286 | |
| 132 | E | A | -2.5190 | |
| 133 | M | A | -1.5344 | |
| 134 | L | A | 0.0000 | |
| 135 | K | A | -1.9481 | |
| 136 | M | A | -0.9812 | |
| 137 | F | A | 0.0000 | |
| 138 | E | A | 0.0000 | |
| 139 | D | A | -1.7550 | |
| 140 | R | A | -1.2733 | |
| 141 | L | A | 0.0000 | |
| 142 | C | A | -1.0002 | |
| 143 | H | A | -1.6285 | |
| 144 | K | A | -1.9332 | |
| 145 | T | A | -1.4502 | |
| 146 | Y | A | -1.2138 | |
| 147 | L | A | 0.0000 | |
| 148 | N | A | -1.4147 | |
| 149 | G | A | -1.8242 | |
| 150 | D | A | -2.6442 | |
| 151 | H | A | -2.0340 | |
| 152 | V | A | 0.0000 | |
| 153 | T | A | 0.0000 | |
| 154 | H | A | 0.0000 | |
| 155 | P | A | 0.0000 | |
| 156 | D | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | M | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | Y | A | 0.0000 | |
| 161 | D | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | D | A | -0.1858 | |
| 165 | V | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | L | A | 0.4336 | |
| 168 | Y | A | 0.4128 | |
| 169 | M | A | 0.0000 | |
| 170 | D | A | 0.0697 | |
| 171 | P | A | -0.0248 | |
| 172 | M | A | 0.4017 | |
| 173 | C | A | 0.0324 | |
| 174 | L | A | 0.0000 | |
| 175 | D | A | -1.4931 | |
| 176 | A | A | -0.9046 | |
| 177 | F | A | 0.0000 | |
| 178 | P | A | -0.7890 | |
| 179 | K | A | -1.4804 | |
| 180 | L | A | 0.0000 | |
| 181 | V | A | -0.5194 | |
| 182 | C | A | -0.5783 | |
| 183 | F | A | 0.0000 | |
| 184 | K | A | -1.3161 | |
| 185 | K | A | -2.1171 | |
| 186 | R | A | -1.5057 | |
| 187 | I | A | 0.0000 | |
| 188 | E | A | -1.7541 | |
| 189 | A | A | -1.3486 | |
| 190 | I | A | -0.9214 | |
| 191 | P | A | -1.0544 | |
| 192 | Q | A | -1.4947 | |
| 193 | I | A | 0.0000 | |
| 194 | D | A | -2.0968 | |
| 195 | K | A | -2.7382 | |
| 196 | Y | A | 0.0000 | |
| 197 | L | A | -1.5559 | |
| 198 | K | A | -2.4886 | |
| 199 | S | A | -1.7205 | |
| 200 | S | A | -1.1498 | |
| 201 | K | A | -1.2983 | |
| 202 | Y | A | -0.7334 | |
| 203 | I | A | 0.0114 | |
| 204 | A | A | 0.0177 | |
| 205 | W | A | -0.4094 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | Q | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | W | A | -1.4839 | |
| 211 | Q | A | -1.6844 | |
| 212 | A | A | 0.0000 | |
| 213 | T | A | -1.0960 | |
| 214 | F | A | -0.3762 | |
| 215 | G | A | 0.0000 | |
| 216 | G | A | -0.8969 | |
| 217 | G | A | -1.6400 | |
| 218 | D | A | -2.5219 | |
| 219 | H | A | -1.8589 | |
| 220 | P | A | -1.2350 | |
| 221 | P | A | -1.8776 | |
| 222 | K | A | -2.7219 | |
| 223 | S | A | -2.0813 | |
| 224 | D | A | -2.7365 | |
| 225 | G | A | -1.9422 | |
| 226 | S | A | -1.5305 | |
| 227 | T | A | -1.1052 | |
| 228 | S | A | -1.3287 | |
| 229 | G | A | -0.9289 | |
| 230 | S | A | -1.1095 | |
| 231 | G | A | -0.9173 | |
| 232 | S | A | -0.4816 | |
| 233 | A | A | 0.2315 | |
| 234 | G | A | 0.6305 | |
| 235 | L | A | 1.9000 | |
| 236 | V | A | 1.8022 | |
| 237 | P | A | -0.1047 | |
| 238 | R | A | -1.6615 | |
| 239 | G | A | -1.2937 | |
| 240 | S | A | -0.6423 | |
| 241 | T | A | 0.2307 | |
| 242 | A | A | 0.9722 | |
| 243 | I | A | 1.8287 | |
| 244 | G | A | 0.3502 | |
| 245 | M | A | 0.0539 | |
| 246 | K | A | -1.9459 | |
| 247 | E | A | -2.7941 | |
| 248 | T | A | -1.5419 | |
| 249 | A | A | -1.1349 | |
| 250 | A | A | -1.9169 | |
| 251 | A | A | -1.8726 | |
| 252 | K | A | -2.6022 | |
| 253 | F | A | -1.5906 | |
| 254 | E | A | -1.8532 | |
| 255 | R | A | -2.5376 | |
| 256 | Q | A | -2.5958 | |
| 257 | H | A | -1.6088 | |
| 258 | M | A | 0.0000 | |
| 259 | D | A | -1.3662 | |
| 260 | S | A | -1.4652 | |
| 261 | P | A | -1.2272 | |
| 262 | D | A | -1.7704 | |
| 263 | L | A | 0.2836 | |
| 264 | G | A | -0.5237 | |
| 265 | T | A | -0.5626 | |
| 266 | G | A | -0.8219 | |
| 267 | G | A | -1.1122 | |
| 268 | G | A | -1.2574 | |
| 269 | S | A | -1.4826 | |
| 270 | G | A | -2.0597 | |
| 271 | D | A | -3.4148 | |
| 272 | D | A | -4.0778 | |
| 273 | D | A | -4.3537 | |
| 274 | D | A | -3.9485 | |
| 275 | K | A | -3.1406 | |
| 276 | S | A | -1.3487 | |
| 277 | P | A | -0.3139 | |
| 278 | M | A | 0.9522 | |
| 279 | G | A | 0.1508 | |
| 280 | Y | A | 0.2755 | |
| 281 | R | A | -1.6431 | |
| 282 | G | A | -1.3078 | |
| 283 | S | A | -0.9950 | |
| 284 | G | A | -0.7838 | |
| 285 | T | A | 0.0929 | |
| 286 | S | A | 0.5086 | |
| 287 | L | A | 1.2668 | |
| 288 | Y | A | 0.6965 | |
| 289 | K | A | -1.5008 | |
| 290 | K | A | -1.8264 | |
| 291 | A | A | -0.9479 | |
| 292 | G | A | -0.2851 | |
| 293 | F | A | 1.5991 | |
| 294 | T | A | 1.2151 | |
| 295 | M | A | 1.4837 | |
| 296 | V | A | 0.5717 | |
| 297 | L | A | 0.0069 | |
| 298 | R | A | -2.0248 | |
| 299 | G | A | -1.8601 | |
| 300 | G | A | -0.9387 | |
| 301 | S | A | -0.8266 | |
| 302 | G | A | 0.0000 | |
| 303 | G | A | -0.5287 | |
| 304 | S | A | -0.6243 | |
| 305 | G | A | -0.1180 | |
| 306 | G | A | 0.0000 | |
| 307 | S | A | 0.6197 | |
| 308 | V | A | 0.0000 | |
| 309 | L | A | -0.5969 | |
| 310 | K | A | -2.3903 | |
| 311 | G | A | -1.9737 | |
| 312 | G | A | -1.2224 | |
| 313 | S | A | -0.8220 | |
| 314 | G | A | 0.0000 | |
| 315 | G | A | -0.8468 | |
| 316 | S | A | -0.9339 | |
| 317 | G | A | -1.0130 | |
| 318 | G | A | 0.0000 | |
| 319 | S | A | -0.1710 | |
| 320 | V | A | 0.0000 | |
| 321 | L | A | -0.8147 | |
| 322 | R | A | -2.3001 | |
| 323 | G | A | -1.8364 | |
| 324 | G | A | -1.1213 | |
| 325 | S | A | -0.7249 | |
| 326 | G | A | 0.0000 | |
| 327 | G | A | -0.7934 | |
| 328 | S | A | -0.8989 | |
| 329 | G | A | -1.0718 | |
| 330 | G | A | 0.0000 | |
| 331 | S | A | -0.2768 | |
| 332 | V | A | 0.0000 | |
| 333 | L | A | -0.6845 | |
| 334 | K | A | -2.2875 | |
| 335 | G | A | -2.0181 | |
| 336 | G | A | -1.1180 | |
| 337 | S | A | -0.8036 | |
| 338 | G | A | 0.0000 | |
| 339 | G | A | -0.7923 | |
| 340 | S | A | -0.9920 | |
| 341 | G | A | -1.1355 | |
| 342 | G | A | 0.0000 | |
| 343 | S | A | -0.2691 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | -0.4361 | |
| 346 | R | A | -2.5654 | |
| 347 | G | A | -1.9568 | |
| 348 | G | A | -1.2655 | |
| 349 | S | A | -0.9219 | |
| 350 | G | A | 0.0000 | |
| 351 | G | A | -0.9216 | |
| 352 | S | A | -1.0215 | |
| 353 | G | A | -1.1783 | |
| 354 | G | A | 0.0000 | |
| 355 | S | A | -0.1617 | |
| 356 | V | A | 0.0000 | |
| 357 | L | A | -0.1261 | |
| 358 | K | A | -2.0713 | |
| 359 | G | A | -1.7482 | |
| 360 | G | A | -1.2387 | |
| 361 | S | A | -0.7067 | |
| 362 | G | A | -0.4891 | |
| 363 | G | A | -0.8857 | |
| 364 | S | A | -0.8705 | |
| 365 | G | A | -1.0579 | |
| 366 | G | A | -0.9243 | |
| 367 | S | A | -0.1719 | |
| 368 | V | A | 0.2238 | |
| 369 | L | A | 0.2753 | |
| 370 | R | A | -1.6958 |
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