| Chain sequence(s) |
A: MHHHHHHGSGSPKKKRKVKLSNLLTVHQNLPALPVDATSDEVRKNLMDMFRDRQAFSEHTWKMLLSVCRSWAAWCKLNNRKWFPAEPEDVRDYLLYLQARGLAVKTIQQHLGQLNMLHRRSGLPRPSDSNAVSLVMRRIRKENVDAGERAKQALAFERTDFDQVRSLMENSDRCQDIRNLAFLGIAYNTLLRIAEIARIRVKDISRTDGGRMLIHIGRTKTLVSTAGVEKALSLGVTKLVERWISVSGVADDPNNYLFCRVRKNGVAAPSATSQLSTRALEGIFEATHRLIYGAKDDSGQRYLAWSGHSARVGAARDMARAGVSIPEIMQAGGWTNVNIVMNYIRNLDSETGAMVRLLEDGDGSQLGSGSTHRPPMWSPVWP
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 (00:06:00)
[INFO] Main: Simulation completed successfully. (00:06:02)
|
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 | M | A | 0.3469 | |
| 2 | H | A | -1.3214 | |
| 3 | H | A | -2.0750 | |
| 4 | H | A | -2.5710 | |
| 5 | H | A | -2.6035 | |
| 6 | H | A | -2.4703 | |
| 7 | H | A | -2.1666 | |
| 8 | G | A | -1.5838 | |
| 9 | S | A | -1.1055 | |
| 10 | G | A | -1.2162 | |
| 11 | S | A | -1.3326 | |
| 12 | P | A | -2.0080 | |
| 13 | K | A | -3.4720 | |
| 14 | K | A | -4.2100 | |
| 15 | K | A | -4.1452 | |
| 16 | R | A | -3.9284 | |
| 17 | K | A | -2.7100 | |
| 18 | V | A | -0.2515 | |
| 19 | K | A | -1.1007 | |
| 20 | L | A | 0.7597 | |
| 21 | S | A | 0.1241 | |
| 22 | N | A | -0.5697 | |
| 23 | L | A | 0.8653 | |
| 24 | L | A | 0.5061 | |
| 25 | T | A | -0.1845 | |
| 26 | V | A | -0.2632 | |
| 27 | H | A | -1.2204 | |
| 28 | Q | A | -1.9964 | |
| 29 | N | A | -2.3666 | |
| 30 | L | A | 0.0000 | |
| 31 | P | A | 0.0000 | |
| 32 | A | A | 0.0084 | |
| 33 | L | A | 0.0000 | |
| 34 | P | A | -0.1772 | |
| 35 | V | A | -0.4429 | |
| 36 | D | A | -1.5130 | |
| 37 | A | A | -1.0618 | |
| 38 | T | A | 0.0000 | |
| 39 | S | A | -2.2947 | |
| 40 | D | A | -3.4197 | |
| 41 | E | A | -3.6451 | |
| 42 | V | A | 0.0000 | |
| 43 | R | A | -2.8670 | |
| 44 | K | A | -3.6677 | |
| 45 | N | A | -3.3601 | |
| 46 | L | A | 0.0000 | |
| 47 | M | A | -2.2461 | |
| 48 | D | A | -3.5807 | |
| 49 | M | A | 0.0000 | |
| 50 | F | A | 0.0000 | |
| 51 | R | A | -3.5771 | |
| 52 | D | A | -3.6502 | |
| 53 | R | A | -2.7695 | |
| 54 | Q | A | -2.3784 | |
| 55 | A | A | -1.3997 | |
| 56 | F | A | -0.9504 | |
| 57 | S | A | -1.5543 | |
| 58 | E | A | -2.3097 | |
| 59 | H | A | -2.0702 | |
| 60 | T | A | -1.2608 | |
| 61 | W | A | 0.0000 | |
| 62 | K | A | -2.3855 | |
| 63 | M | A | -1.3679 | |
| 64 | L | A | 0.0000 | |
| 65 | L | A | -1.2565 | |
| 66 | S | A | -1.2563 | |
| 67 | V | A | 0.0000 | |
| 68 | C | A | 0.0000 | |
| 69 | R | A | -2.0056 | |
| 70 | S | A | -0.9802 | |
| 71 | W | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | A | A | -0.9804 | |
| 74 | W | A | 0.0000 | |
| 75 | C | A | 0.0000 | |
| 76 | K | A | -2.0070 | |
| 77 | L | A | -0.0410 | |
| 78 | N | A | -1.4829 | |
| 79 | N | A | -2.3345 | |
| 80 | R | A | -2.6201 | |
| 81 | K | A | -2.7116 | |
| 82 | W | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | P | A | -0.7453 | |
| 85 | A | A | -1.4959 | |
| 86 | E | A | -2.4039 | |
| 87 | P | A | -2.4146 | |
| 88 | E | A | -2.9038 | |
| 89 | D | A | -2.4260 | |
| 90 | V | A | 0.0000 | |
| 91 | R | A | -1.5667 | |
| 92 | D | A | -1.5311 | |
| 93 | Y | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | L | A | -0.2781 | |
| 96 | Y | A | 0.0811 | |
| 97 | L | A | 0.0000 | |
| 98 | Q | A | -0.7173 | |
| 99 | A | A | -0.6163 | |
| 100 | R | A | -1.6999 | |
| 101 | G | A | -1.0889 | |
| 102 | L | A | -0.5132 | |
| 103 | A | A | -1.1285 | |
| 104 | V | A | 0.0000 | |
| 105 | K | A | -2.2055 | |
| 106 | T | A | -1.2681 | |
| 107 | I | A | 0.0000 | |
| 108 | Q | A | -1.8648 | |
| 109 | Q | A | -1.6973 | |
| 110 | H | A | -1.0449 | |
| 111 | L | A | 0.0000 | |
| 112 | G | A | -0.8858 | |
| 113 | Q | A | -0.7576 | |
| 114 | L | A | 0.0000 | |
| 115 | N | A | -1.5191 | |
| 116 | M | A | -1.1807 | |
| 117 | L | A | 0.0000 | |
| 118 | H | A | 0.0000 | |
| 119 | R | A | -2.8656 | |
| 120 | R | A | -2.7549 | |
| 121 | S | A | 0.0000 | |
| 122 | G | A | -2.1856 | |
| 123 | L | A | -1.3508 | |
| 124 | P | A | -1.6001 | |
| 125 | R | A | -2.2246 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | -1.3897 | |
| 128 | D | A | -2.4212 | |
| 129 | S | A | -1.9571 | |
| 130 | N | A | -1.5776 | |
| 131 | A | A | -1.1254 | |
| 132 | V | A | 0.0000 | |
| 133 | S | A | -0.9876 | |
| 134 | L | A | -0.2876 | |
| 135 | V | A | 0.0000 | |
| 136 | M | A | 0.0000 | |
| 137 | R | A | -2.9630 | |
| 138 | R | A | -2.8736 | |
| 139 | I | A | 0.0000 | |
| 140 | R | A | -3.3985 | |
| 141 | K | A | -3.6368 | |
| 142 | E | A | -2.8432 | |
| 143 | N | A | -2.0003 | |
| 144 | V | A | -1.4855 | |
| 145 | D | A | -2.4309 | |
| 146 | A | A | -1.5048 | |
| 147 | G | A | -1.3173 | |
| 148 | E | A | -2.1642 | |
| 149 | R | A | -2.5997 | |
| 150 | A | A | -2.0354 | |
| 151 | K | A | -2.6264 | |
| 152 | Q | A | -1.6491 | |
| 153 | A | A | -0.5490 | |
| 154 | L | A | 0.1233 | |
| 155 | A | A | -0.1805 | |
| 156 | F | A | 0.0000 | |
| 157 | E | A | -1.4416 | |
| 158 | R | A | -2.6185 | |
| 159 | T | A | -1.8937 | |
| 160 | D | A | -1.7142 | |
| 161 | F | A | 0.0000 | |
| 162 | D | A | -2.4265 | |
| 163 | Q | A | -1.6122 | |
| 164 | V | A | 0.0000 | |
| 165 | R | A | -1.7681 | |
| 166 | S | A | -1.2612 | |
| 167 | L | A | 0.0481 | |
| 168 | M | A | 0.0000 | |
| 169 | E | A | -2.8110 | |
| 170 | N | A | -2.6902 | |
| 171 | S | A | -2.6081 | |
| 172 | D | A | -3.2700 | |
| 173 | R | A | -3.1212 | |
| 174 | C | A | -1.6270 | |
| 175 | Q | A | -1.7731 | |
| 176 | D | A | -1.6593 | |
| 177 | I | A | -1.7153 | |
| 178 | R | A | 0.0000 | |
| 179 | N | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | N | A | -0.5683 | |
| 189 | T | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | R | A | -1.1538 | |
| 193 | I | A | -1.0083 | |
| 194 | A | A | -0.7187 | |
| 195 | E | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | R | A | -1.3361 | |
| 199 | I | A | 0.0000 | |
| 200 | R | A | -1.5337 | |
| 201 | V | A | -1.4926 | |
| 202 | K | A | -2.2817 | |
| 203 | D | A | -1.6948 | |
| 204 | I | A | -1.1432 | |
| 205 | S | A | -1.5739 | |
| 206 | R | A | -2.5487 | |
| 207 | T | A | -2.2360 | |
| 208 | D | A | -2.6793 | |
| 209 | G | A | -1.9122 | |
| 210 | G | A | -1.8104 | |
| 211 | R | A | -2.0355 | |
| 212 | M | A | 0.0000 | |
| 213 | L | A | -1.0306 | |
| 214 | I | A | 0.0000 | |
| 215 | H | A | -1.1946 | |
| 216 | I | A | -0.8510 | |
| 217 | G | A | -1.3640 | |
| 218 | R | A | -2.1983 | |
| 219 | T | A | -1.0710 | |
| 220 | K | A | -1.5792 | |
| 221 | T | A | 0.1774 | |
| 222 | L | A | 1.7576 | |
| 223 | V | A | 2.2051 | |
| 224 | S | A | 0.8894 | |
| 225 | T | A | 0.4539 | |
| 226 | A | A | 0.0176 | |
| 227 | G | A | -0.2236 | |
| 228 | V | A | 0.4638 | |
| 229 | E | A | -0.9140 | |
| 230 | K | A | -0.5601 | |
| 231 | A | A | -0.7738 | |
| 232 | L | A | 0.0000 | |
| 233 | S | A | -0.4344 | |
| 234 | L | A | -0.2419 | |
| 235 | G | A | -0.7532 | |
| 236 | V | A | 0.0000 | |
| 237 | T | A | 0.0000 | |
| 238 | K | A | -2.3614 | |
| 239 | L | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | E | A | -1.7108 | |
| 242 | R | A | -2.1870 | |
| 243 | W | A | 0.0000 | |
| 244 | I | A | -0.6147 | |
| 245 | S | A | -0.4224 | |
| 246 | V | A | 0.0789 | |
| 247 | S | A | 0.0000 | |
| 248 | G | A | -0.3575 | |
| 249 | V | A | 0.0000 | |
| 250 | A | A | -1.3837 | |
| 251 | D | A | -2.2478 | |
| 252 | D | A | -2.1641 | |
| 253 | P | A | -2.0031 | |
| 254 | N | A | -1.8961 | |
| 255 | N | A | 0.0000 | |
| 256 | Y | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | R | A | -1.8541 | |
| 261 | V | A | -1.8741 | |
| 262 | R | A | -2.9735 | |
| 263 | K | A | -3.1550 | |
| 264 | N | A | -2.5030 | |
| 265 | G | A | -2.1103 | |
| 266 | V | A | -0.2608 | |
| 267 | A | A | -0.4272 | |
| 268 | A | A | -0.4759 | |
| 269 | P | A | -0.7096 | |
| 270 | S | A | -0.6447 | |
| 271 | A | A | -0.6133 | |
| 272 | T | A | -0.3317 | |
| 273 | S | A | -0.6093 | |
| 274 | Q | A | -0.9888 | |
| 275 | L | A | 0.0000 | |
| 276 | S | A | -1.2993 | |
| 277 | T | A | -1.4380 | |
| 278 | R | A | -2.3244 | |
| 279 | A | A | -1.5664 | |
| 280 | L | A | 0.0000 | |
| 281 | E | A | -2.0761 | |
| 282 | G | A | -1.4610 | |
| 283 | I | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | E | A | -1.2018 | |
| 286 | A | A | -0.4926 | |
| 287 | T | A | 0.0000 | |
| 288 | H | A | -0.2496 | |
| 289 | R | A | -0.8009 | |
| 290 | L | A | 1.3233 | |
| 291 | I | A | 1.2955 | |
| 292 | Y | A | 1.0951 | |
| 293 | G | A | -0.2147 | |
| 294 | A | A | -1.2645 | |
| 295 | K | A | -2.8095 | |
| 296 | D | A | -3.5147 | |
| 297 | D | A | -3.3590 | |
| 298 | S | A | -2.6008 | |
| 299 | G | A | -2.5182 | |
| 300 | Q | A | -2.8652 | |
| 301 | R | A | -2.4753 | |
| 302 | Y | A | -0.9146 | |
| 303 | L | A | -0.7923 | |
| 304 | A | A | 0.0000 | |
| 305 | W | A | 0.0000 | |
| 306 | S | A | -0.7320 | |
| 307 | G | A | -1.2329 | |
| 308 | H | A | -1.0023 | |
| 309 | S | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | R | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | R | A | -1.1517 | |
| 317 | D | A | 0.0000 | |
| 318 | M | A | -0.7313 | |
| 319 | A | A | 0.0000 | |
| 320 | R | A | -2.0065 | |
| 321 | A | A | -0.7689 | |
| 322 | G | A | -0.6570 | |
| 323 | V | A | -0.3024 | |
| 324 | S | A | -0.4653 | |
| 325 | I | A | -0.1703 | |
| 326 | P | A | -0.9960 | |
| 327 | E | A | -1.9383 | |
| 328 | I | A | 0.0000 | |
| 329 | M | A | -0.8952 | |
| 330 | Q | A | -1.8440 | |
| 331 | A | A | -1.0877 | |
| 332 | G | A | 0.0000 | |
| 333 | G | A | -0.7801 | |
| 334 | W | A | 0.0000 | |
| 335 | T | A | -0.5313 | |
| 336 | N | A | -0.5596 | |
| 337 | V | A | 0.0890 | |
| 338 | N | A | -0.9256 | |
| 339 | I | A | 0.2921 | |
| 340 | V | A | 0.0000 | |
| 341 | M | A | -0.7365 | |
| 342 | N | A | -1.1625 | |
| 343 | Y | A | -0.8472 | |
| 344 | I | A | 0.0000 | |
| 345 | R | A | -3.2285 | |
| 346 | N | A | -2.8727 | |
| 347 | L | A | 0.0000 | |
| 348 | D | A | -2.9242 | |
| 349 | S | A | -2.3105 | |
| 350 | E | A | -2.4958 | |
| 351 | T | A | -1.5992 | |
| 352 | G | A | -0.5202 | |
| 353 | A | A | 0.7511 | |
| 354 | M | A | 1.4473 | |
| 355 | V | A | 0.4560 | |
| 356 | R | A | -0.5710 | |
| 357 | L | A | 0.7241 | |
| 358 | L | A | 0.1614 | |
| 359 | E | A | -2.5244 | |
| 360 | D | A | -2.9429 | |
| 361 | G | A | -2.4205 | |
| 362 | D | A | -2.9877 | |
| 363 | G | A | -2.4538 | |
| 364 | S | A | -2.0036 | |
| 365 | Q | A | -1.6015 | |
| 366 | L | A | 0.1213 | |
| 367 | G | A | -0.3937 | |
| 368 | S | A | -0.5960 | |
| 369 | G | A | -0.7502 | |
| 370 | S | A | -1.0153 | |
| 371 | T | A | -1.2711 | |
| 372 | H | A | -2.1072 | |
| 373 | R | A | -2.3987 | |
| 374 | P | A | -1.1363 | |
| 375 | P | A | -0.1707 | |
| 376 | M | A | 1.1078 | |
| 377 | W | A | 1.6833 | |
| 378 | S | A | 1.1578 | |
| 379 | P | A | 1.3486 | |
| 380 | V | A | 2.3207 | |
| 381 | W | A | 1.8714 | |
| 382 | P | A | 0.7239 |
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