| Chain sequence(s) |
A: HHHHHHENLYFQMTTRQSFSYMSHFMRPFCRRKLSFLTSFSGHSPTRSDIQVAPLRTESCVAATRGARPHHFLPRATHCSSASSTMVAAGVSHGNRSLTYFPARRDESVVERHFGETVADPYRWLENPDSEETKEFVEEQNNVSRPLYRTPIREKFFAKLEQIYDYPKYGVPFREGDMWFHWYNTGLQNQHVLYGRKSLTDETAEVVLDPNSWTEDGTAAVGNVVFTDDGSLMAYTRSERGSDWKRIFVKRVTDGYLFPDVLKHVKFSSLAWSPDNRGFFYNRYDVDDEDQDDSGRANAQHDFQKAFYHKLGTDQKEDILILAFPDQPKWLSEITVSWDHRFLIAGIAESCSPTNQVWIADLDTIRTSNAQGMFDFSKLKWNKII
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 (00:05:01)
[INFO] Main: Simulation completed successfully. (00:05:03)
|
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 | -1.8301 | |
| 2 | H | A | -2.2927 | |
| 3 | H | A | -2.5726 | |
| 4 | H | A | -2.8456 | |
| 5 | H | A | -3.0408 | |
| 6 | H | A | -2.8076 | |
| 7 | E | A | -2.8415 | |
| 8 | N | A | -1.1450 | |
| 9 | L | A | 1.1746 | |
| 10 | Y | A | 2.0014 | |
| 11 | F | A | 1.9784 | |
| 12 | Q | A | 0.1948 | |
| 13 | M | A | 0.2893 | |
| 14 | T | A | -1.1484 | |
| 15 | T | A | -1.5287 | |
| 16 | R | A | -2.2103 | |
| 17 | Q | A | -1.6898 | |
| 18 | S | A | -0.4338 | |
| 19 | F | A | 1.6601 | |
| 20 | S | A | 1.3386 | |
| 21 | Y | A | 2.3715 | |
| 22 | M | A | 2.2522 | |
| 23 | S | A | 0.9661 | |
| 24 | H | A | 0.4735 | |
| 25 | F | A | 1.9466 | |
| 26 | M | A | 1.1150 | |
| 27 | R | A | -0.3634 | |
| 28 | P | A | 0.3516 | |
| 29 | F | A | 1.2683 | |
| 30 | C | A | -0.3431 | |
| 31 | R | A | -2.1086 | |
| 32 | R | A | -2.6501 | |
| 33 | K | A | -2.0582 | |
| 34 | L | A | 0.5374 | |
| 35 | S | A | 1.1185 | |
| 36 | F | A | 2.7462 | |
| 37 | L | A | 2.7873 | |
| 38 | T | A | 1.4259 | |
| 39 | S | A | 1.1910 | |
| 40 | F | A | 1.7714 | |
| 41 | S | A | 0.2563 | |
| 42 | G | A | -0.6687 | |
| 43 | H | A | -1.4240 | |
| 44 | S | A | -1.1299 | |
| 45 | P | A | -1.0870 | |
| 46 | T | A | -1.3661 | |
| 47 | R | A | -2.2470 | |
| 48 | S | A | -1.7917 | |
| 49 | D | A | -1.4154 | |
| 50 | I | A | 0.7817 | |
| 51 | Q | A | 0.0770 | |
| 52 | V | A | 1.6603 | |
| 53 | A | A | 0.8456 | |
| 54 | P | A | 0.2948 | |
| 55 | L | A | 0.5637 | |
| 56 | R | A | -1.6877 | |
| 57 | T | A | -1.4735 | |
| 58 | E | A | -1.8851 | |
| 59 | S | A | -0.4793 | |
| 60 | C | A | 1.0476 | |
| 61 | V | A | 1.8978 | |
| 62 | A | A | 0.9224 | |
| 63 | A | A | 0.0912 | |
| 64 | T | A | -0.8632 | |
| 65 | R | A | -2.2707 | |
| 66 | G | A | -1.7800 | |
| 67 | A | A | -1.6796 | |
| 68 | R | A | -2.6280 | |
| 69 | P | A | -1.7287 | |
| 70 | H | A | -1.4772 | |
| 71 | H | A | -0.5510 | |
| 72 | F | A | 1.4754 | |
| 73 | L | A | 1.2032 | |
| 74 | P | A | -0.1895 | |
| 75 | R | A | -1.5249 | |
| 76 | A | A | -0.9238 | |
| 77 | T | A | -0.8271 | |
| 78 | H | A | -0.9131 | |
| 79 | C | A | 0.0945 | |
| 80 | S | A | -0.1894 | |
| 81 | S | A | -0.3341 | |
| 82 | A | A | -0.1910 | |
| 83 | S | A | -0.2468 | |
| 84 | S | A | 0.2016 | |
| 85 | T | A | 0.8148 | |
| 86 | M | A | 1.8213 | |
| 87 | V | A | 2.2109 | |
| 88 | A | A | 1.3741 | |
| 89 | A | A | 1.0975 | |
| 90 | G | A | 0.4833 | |
| 91 | V | A | 1.1021 | |
| 92 | S | A | -0.3357 | |
| 93 | H | A | -1.5662 | |
| 94 | G | A | -2.0088 | |
| 95 | N | A | -2.7010 | |
| 96 | R | A | -2.7434 | |
| 97 | S | A | -1.1046 | |
| 98 | L | A | 0.4309 | |
| 99 | T | A | 0.7044 | |
| 100 | Y | A | 1.3804 | |
| 101 | F | A | 0.7419 | |
| 102 | P | A | -0.3136 | |
| 103 | A | A | -0.8490 | |
| 104 | R | A | -2.5511 | |
| 105 | R | A | -3.2965 | |
| 106 | D | A | -2.4161 | |
| 107 | E | A | -2.4482 | |
| 108 | S | A | -1.0584 | |
| 109 | V | A | 0.0730 | |
| 110 | V | A | 0.8724 | |
| 111 | E | A | -0.7956 | |
| 112 | R | A | -2.0420 | |
| 113 | H | A | -1.0853 | |
| 114 | F | A | 0.4217 | |
| 115 | G | A | -1.0466 | |
| 116 | E | A | -2.0590 | |
| 117 | T | A | -0.9062 | |
| 118 | V | A | 0.3814 | |
| 119 | A | A | 0.1858 | |
| 120 | D | A | -0.4161 | |
| 121 | P | A | -1.3660 | |
| 122 | Y | A | -1.1723 | |
| 123 | R | A | -1.2907 | |
| 124 | W | A | -1.3403 | |
| 125 | L | A | -1.3869 | |
| 126 | E | A | -2.7380 | |
| 127 | N | A | -3.5741 | |
| 128 | P | A | -3.0835 | |
| 129 | D | A | -3.5819 | |
| 130 | S | A | -3.2339 | |
| 131 | E | A | -3.6930 | |
| 132 | E | A | -3.0557 | |
| 133 | T | A | 0.0000 | |
| 134 | K | A | -3.8476 | |
| 135 | E | A | -3.4390 | |
| 136 | F | A | -1.8786 | |
| 137 | V | A | -1.1259 | |
| 138 | E | A | -2.0550 | |
| 139 | E | A | -1.5355 | |
| 140 | Q | A | -0.9831 | |
| 141 | N | A | -1.1389 | |
| 142 | N | A | -1.0459 | |
| 143 | V | A | 0.0120 | |
| 144 | S | A | -0.3032 | |
| 145 | R | A | -0.8931 | |
| 146 | P | A | -0.4463 | |
| 147 | L | A | 0.7770 | |
| 148 | Y | A | -0.1078 | |
| 149 | R | A | -1.8196 | |
| 150 | T | A | -1.0365 | |
| 151 | P | A | -0.8408 | |
| 152 | I | A | 0.2803 | |
| 153 | R | A | -1.6826 | |
| 154 | E | A | -2.4517 | |
| 155 | K | A | -1.8852 | |
| 156 | F | A | -0.3171 | |
| 157 | F | A | -0.5268 | |
| 158 | A | A | -1.2222 | |
| 159 | K | A | -1.7964 | |
| 160 | L | A | -0.4746 | |
| 161 | E | A | -0.5190 | |
| 162 | Q | A | -0.8476 | |
| 163 | I | A | 0.5494 | |
| 164 | Y | A | 0.8785 | |
| 165 | D | A | 0.0234 | |
| 166 | Y | A | 0.9908 | |
| 167 | P | A | 0.4730 | |
| 168 | K | A | 0.5153 | |
| 169 | Y | A | 1.5854 | |
| 170 | G | A | 1.4131 | |
| 171 | V | A | 2.1377 | |
| 172 | P | A | 1.0415 | |
| 173 | F | A | 0.1491 | |
| 174 | R | A | -2.2165 | |
| 175 | E | A | -2.3115 | |
| 176 | G | A | -2.8624 | |
| 177 | D | A | -3.0365 | |
| 178 | M | A | -2.0457 | |
| 179 | W | A | -1.2091 | |
| 180 | F | A | 0.0000 | |
| 181 | H | A | 0.0000 | |
| 182 | W | A | 1.0226 | |
| 183 | Y | A | 0.7313 | |
| 184 | N | A | 0.0000 | |
| 185 | T | A | 0.1747 | |
| 186 | G | A | 0.0000 | |
| 187 | L | A | 0.8640 | |
| 188 | Q | A | -0.2734 | |
| 189 | N | A | -0.6444 | |
| 190 | Q | A | -0.8215 | |
| 191 | H | A | -0.4345 | |
| 192 | V | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | Y | A | -0.0327 | |
| 195 | G | A | 0.0000 | |
| 196 | R | A | -1.9821 | |
| 197 | K | A | -2.5955 | |
| 198 | S | A | -1.4142 | |
| 199 | L | A | -0.0108 | |
| 200 | T | A | -0.7518 | |
| 201 | D | A | -1.9188 | |
| 202 | E | A | -2.1865 | |
| 203 | T | A | -1.7110 | |
| 204 | A | A | -1.4321 | |
| 205 | E | A | -1.5758 | |
| 206 | V | A | -0.0357 | |
| 207 | V | A | -0.2577 | |
| 208 | L | A | 0.0000 | |
| 209 | D | A | -0.3980 | |
| 210 | P | A | 0.0000 | |
| 211 | N | A | -1.3789 | |
| 212 | S | A | -1.0310 | |
| 213 | W | A | -0.8012 | |
| 214 | T | A | -1.7643 | |
| 215 | E | A | -2.7480 | |
| 216 | D | A | -2.6027 | |
| 217 | G | A | -2.1407 | |
| 218 | T | A | -1.7058 | |
| 219 | A | A | 0.0000 | |
| 220 | A | A | -0.9658 | |
| 221 | V | A | -0.3886 | |
| 222 | G | A | -0.3665 | |
| 223 | N | A | 0.2079 | |
| 224 | V | A | 0.4164 | |
| 225 | V | A | 0.2938 | |
| 226 | F | A | -0.5160 | |
| 227 | T | A | 0.0000 | |
| 228 | D | A | -2.6745 | |
| 229 | D | A | -3.1291 | |
| 230 | G | A | 0.0000 | |
| 231 | S | A | -1.5869 | |
| 232 | L | A | -0.6213 | |
| 233 | M | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | Y | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | R | A | -1.1155 | |
| 238 | S | A | -1.7636 | |
| 239 | E | A | -2.1001 | |
| 240 | R | A | -2.5683 | |
| 241 | G | A | -2.3777 | |
| 242 | S | A | 0.0000 | |
| 243 | D | A | -2.3806 | |
| 244 | W | A | 0.0000 | |
| 245 | K | A | -1.6757 | |
| 246 | R | A | -1.6017 | |
| 247 | I | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | K | A | -0.2144 | |
| 251 | R | A | -0.7363 | |
| 252 | V | A | -0.5820 | |
| 253 | T | A | -0.9916 | |
| 254 | D | A | -1.7698 | |
| 255 | G | A | -0.6381 | |
| 256 | Y | A | 0.1278 | |
| 257 | L | A | 0.6529 | |
| 258 | F | A | 0.4783 | |
| 259 | P | A | -0.0227 | |
| 260 | D | A | 0.0000 | |
| 261 | V | A | -0.1379 | |
| 262 | L | A | 0.0000 | |
| 263 | K | A | -1.8469 | |
| 264 | H | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | K | A | -0.4065 | |
| 267 | F | A | 0.9314 | |
| 268 | S | A | 0.2100 | |
| 269 | S | A | -0.2766 | |
| 270 | L | A | 0.0000 | |
| 271 | A | A | 0.0161 | |
| 272 | W | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | P | A | -0.9120 | |
| 275 | D | A | -0.8752 | |
| 276 | N | A | -1.1970 | |
| 277 | R | A | -0.8373 | |
| 278 | G | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | F | A | 0.0000 | |
| 281 | Y | A | 0.0000 | |
| 282 | N | A | 0.0000 | |
| 283 | R | A | -0.5821 | |
| 284 | Y | A | 0.0000 | |
| 285 | D | A | -2.6022 | |
| 286 | V | A | -3.0202 | |
| 287 | D | A | -3.6320 | |
| 288 | D | A | -4.5600 | |
| 289 | E | A | -4.6594 | |
| 290 | D | A | -4.2746 | |
| 291 | Q | A | -3.7604 | |
| 292 | D | A | -3.4138 | |
| 293 | D | A | -2.8682 | |
| 294 | S | A | -2.4072 | |
| 295 | G | A | -2.7068 | |
| 296 | R | A | -2.8632 | |
| 297 | A | A | -2.2153 | |
| 298 | N | A | -2.5126 | |
| 299 | A | A | -1.5402 | |
| 300 | Q | A | -1.7680 | |
| 301 | H | A | -1.5074 | |
| 302 | D | A | -1.1115 | |
| 303 | F | A | -0.5307 | |
| 304 | Q | A | 0.0000 | |
| 305 | K | A | -0.3177 | |
| 306 | A | A | 0.0000 | |
| 307 | F | A | 0.3653 | |
| 308 | Y | A | 0.0000 | |
| 309 | H | A | 0.0000 | |
| 310 | K | A | -1.6405 | |
| 311 | L | A | -0.9410 | |
| 312 | G | A | -0.9757 | |
| 313 | T | A | -1.9120 | |
| 314 | D | A | -2.8304 | |
| 315 | Q | A | -2.3942 | |
| 316 | K | A | -3.1153 | |
| 317 | E | A | -3.1150 | |
| 318 | D | A | -1.6078 | |
| 319 | I | A | -0.1153 | |
| 320 | L | A | 1.0688 | |
| 321 | I | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | A | A | 0.0096 | |
| 324 | F | A | 0.0000 | |
| 325 | P | A | -1.2340 | |
| 326 | D | A | -2.1318 | |
| 327 | Q | A | -1.7231 | |
| 328 | P | A | -1.3545 | |
| 329 | K | A | -2.0587 | |
| 330 | W | A | -1.3007 | |
| 331 | L | A | -0.5341 | |
| 332 | S | A | 0.0000 | |
| 333 | E | A | -1.1610 | |
| 334 | I | A | 0.0000 | |
| 335 | T | A | 0.0921 | |
| 336 | V | A | 0.1977 | |
| 337 | S | A | -0.1090 | |
| 338 | W | A | -0.1129 | |
| 339 | D | A | -1.7297 | |
| 340 | H | A | -1.6527 | |
| 341 | R | A | -2.3205 | |
| 342 | F | A | -0.5738 | |
| 343 | L | A | 0.0000 | |
| 344 | I | A | 0.2377 | |
| 345 | A | A | 0.0000 | |
| 346 | G | A | -0.4875 | |
| 347 | I | A | 0.0000 | |
| 348 | A | A | -1.3709 | |
| 349 | E | A | -1.7109 | |
| 350 | S | A | -0.8734 | |
| 351 | C | A | -0.0021 | |
| 352 | S | A | -0.4875 | |
| 353 | P | A | -0.5466 | |
| 354 | T | A | -1.0323 | |
| 355 | N | A | -1.2363 | |
| 356 | Q | A | -0.2138 | |
| 357 | V | A | 0.4452 | |
| 358 | W | A | 0.1743 | |
| 359 | I | A | -0.1228 | |
| 360 | A | A | 0.0000 | |
| 361 | D | A | -1.6159 | |
| 362 | L | A | 0.0000 | |
| 363 | D | A | -2.8024 | |
| 364 | T | A | -2.1384 | |
| 365 | I | A | 0.0000 | |
| 366 | R | A | -2.9992 | |
| 367 | T | A | -1.7428 | |
| 368 | S | A | -1.3242 | |
| 369 | N | A | -1.8378 | |
| 370 | A | A | -1.1167 | |
| 371 | Q | A | -1.7122 | |
| 372 | G | A | -1.4908 | |
| 373 | M | A | -0.9852 | |
| 374 | F | A | -1.4744 | |
| 375 | D | A | -1.2642 | |
| 376 | F | A | 0.0000 | |
| 377 | S | A | -1.0308 | |
| 378 | K | A | -2.3900 | |
| 379 | L | A | -1.7555 | |
| 380 | K | A | -2.2408 | |
| 381 | W | A | -1.4338 | |
| 382 | N | A | -1.5876 | |
| 383 | K | A | -0.7961 | |
| 384 | I | A | 1.3989 | |
| 385 | I | A | 1.8808 |
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