| Chain sequence(s) |
A: KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITK
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 (00:06:41)
[INFO] Main: Simulation completed successfully. (00:06:43)
|
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 | K | A | -1.2319 | |
| 2 | I | A | 0.4205 | |
| 3 | E | A | 0.0000 | |
| 4 | E | A | -1.8324 | |
| 5 | G | A | -1.5251 | |
| 6 | K | A | -1.6065 | |
| 7 | L | A | 0.0000 | |
| 8 | V | A | -0.3326 | |
| 9 | I | A | 0.0000 | |
| 10 | W | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | N | A | -1.4145 | |
| 13 | G | A | -1.3755 | |
| 14 | D | A | -0.7618 | |
| 15 | K | A | -0.9145 | |
| 16 | G | A | 0.0000 | |
| 17 | Y | A | -1.1202 | |
| 18 | N | A | -1.9866 | |
| 19 | G | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | A | A | -1.5963 | |
| 22 | E | A | -2.5619 | |
| 23 | V | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | K | A | -3.8267 | |
| 26 | K | A | -3.7004 | |
| 27 | F | A | 0.0000 | |
| 28 | E | A | -3.7466 | |
| 29 | K | A | -4.0917 | |
| 30 | D | A | -3.6694 | |
| 31 | T | A | -2.4440 | |
| 32 | G | A | -2.3532 | |
| 33 | I | A | -2.0721 | |
| 34 | K | A | -2.9130 | |
| 35 | V | A | -1.3512 | |
| 36 | T | A | -0.5227 | |
| 37 | V | A | -0.4551 | |
| 38 | E | A | -1.3241 | |
| 39 | H | A | -1.7598 | |
| 40 | P | A | -2.1191 | |
| 41 | D | A | -3.1768 | |
| 42 | K | A | -3.1863 | |
| 43 | L | A | 0.0000 | |
| 44 | E | A | -1.7830 | |
| 45 | E | A | -2.1505 | |
| 46 | K | A | -2.2493 | |
| 47 | F | A | 0.0000 | |
| 48 | P | A | -1.1710 | |
| 49 | Q | A | -1.5910 | |
| 50 | V | A | -0.8007 | |
| 51 | A | A | 0.0000 | |
| 52 | A | A | -0.8192 | |
| 53 | T | A | -0.5536 | |
| 54 | G | A | -0.8222 | |
| 55 | D | A | -0.8026 | |
| 56 | G | A | -0.5026 | |
| 57 | P | A | 0.0000 | |
| 58 | D | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | W | A | 0.0280 | |
| 63 | A | A | -0.0337 | |
| 64 | H | A | 0.0000 | |
| 65 | D | A | 0.0000 | |
| 66 | R | A | -0.4027 | |
| 67 | F | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | G | A | -0.7956 | |
| 70 | Y | A | 0.0000 | |
| 71 | A | A | -1.4767 | |
| 72 | Q | A | -1.6063 | |
| 73 | S | A | -1.0646 | |
| 74 | G | A | -0.9895 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | A | A | -1.1821 | |
| 78 | E | A | -2.2599 | |
| 79 | I | A | 0.0000 | |
| 80 | T | A | -1.4374 | |
| 81 | P | A | 0.0000 | |
| 82 | D | A | -2.9191 | |
| 83 | K | A | -3.3042 | |
| 84 | A | A | -2.2567 | |
| 85 | F | A | -2.1842 | |
| 86 | Q | A | -2.5773 | |
| 87 | D | A | -3.2274 | |
| 88 | K | A | -2.4195 | |
| 89 | L | A | 0.0000 | |
| 90 | Y | A | -0.4198 | |
| 91 | P | A | -0.4726 | |
| 92 | F | A | 0.4968 | |
| 93 | T | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | D | A | -1.9430 | |
| 96 | A | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -2.5732 | |
| 99 | Y | A | -2.1321 | |
| 100 | N | A | -2.1740 | |
| 101 | G | A | -2.2454 | |
| 102 | K | A | -2.9364 | |
| 103 | L | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | E | A | 0.0000 | |
| 112 | A | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | Y | A | -0.5259 | |
| 118 | N | A | 0.0000 | |
| 119 | K | A | -2.1319 | |
| 120 | D | A | -2.3652 | |
| 121 | L | A | -1.2863 | |
| 122 | L | A | 0.0000 | |
| 123 | P | A | -1.7090 | |
| 124 | N | A | -1.9517 | |
| 125 | P | A | -1.1157 | |
| 126 | P | A | 0.0000 | |
| 127 | K | A | -2.1107 | |
| 128 | T | A | -1.8180 | |
| 129 | W | A | 0.0000 | |
| 130 | E | A | -1.7005 | |
| 131 | E | A | -1.4975 | |
| 132 | I | A | 0.0000 | |
| 133 | P | A | -1.5956 | |
| 134 | A | A | -1.2905 | |
| 135 | L | A | -1.3803 | |
| 136 | D | A | 0.0000 | |
| 137 | K | A | -3.2925 | |
| 138 | E | A | -3.3493 | |
| 139 | L | A | 0.0000 | |
| 140 | K | A | -3.2789 | |
| 141 | A | A | -2.4871 | |
| 142 | K | A | -3.0222 | |
| 143 | G | A | -2.4648 | |
| 144 | K | A | -2.7657 | |
| 145 | S | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | M | A | -0.1542 | |
| 149 | F | A | 0.0000 | |
| 150 | N | A | -0.5892 | |
| 151 | L | A | 0.0000 | |
| 152 | Q | A | -1.0497 | |
| 153 | E | A | -0.6546 | |
| 154 | P | A | 0.0000 | |
| 155 | Y | A | -0.1339 | |
| 156 | F | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | W | A | 0.0000 | |
| 159 | P | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | D | A | -1.7541 | |
| 165 | G | A | -0.8899 | |
| 166 | G | A | 0.0000 | |
| 167 | Y | A | -0.2442 | |
| 168 | A | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | K | A | -1.4292 | |
| 171 | Y | A | -0.9223 | |
| 172 | E | A | -2.9094 | |
| 173 | N | A | -2.7693 | |
| 174 | G | A | -2.2172 | |
| 175 | K | A | -2.5750 | |
| 176 | Y | A | -1.5548 | |
| 177 | D | A | -2.0794 | |
| 178 | I | A | -0.6797 | |
| 179 | K | A | -1.9065 | |
| 180 | D | A | -1.5809 | |
| 181 | V | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | D | A | -2.0896 | |
| 185 | N | A | -1.2651 | |
| 186 | A | A | -0.8011 | |
| 187 | G | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -1.3932 | |
| 190 | A | A | -0.8375 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | -0.4733 | |
| 194 | F | A | -0.3991 | |
| 195 | L | A | 0.0000 | |
| 196 | V | A | -1.2125 | |
| 197 | D | A | -2.1834 | |
| 198 | L | A | 0.0000 | |
| 199 | I | A | -2.6002 | |
| 200 | K | A | -3.3785 | |
| 201 | N | A | -3.3293 | |
| 202 | K | A | -3.4289 | |
| 203 | H | A | -2.3143 | |
| 204 | M | A | 0.0000 | |
| 205 | N | A | -2.4951 | |
| 206 | A | A | -1.9412 | |
| 207 | D | A | -2.1738 | |
| 208 | T | A | 0.0000 | |
| 209 | D | A | -1.0555 | |
| 210 | Y | A | 0.0139 | |
| 211 | S | A | 0.2118 | |
| 212 | I | A | 0.6916 | |
| 213 | A | A | 0.0000 | |
| 214 | E | A | -0.4291 | |
| 215 | A | A | -0.6597 | |
| 216 | A | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | N | A | -2.0651 | |
| 219 | K | A | -2.5996 | |
| 220 | G | A | -2.1988 | |
| 221 | E | A | -2.7420 | |
| 222 | T | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | M | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | N | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | P | A | 0.0000 | |
| 230 | W | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | W | A | 0.0000 | |
| 233 | S | A | -1.5999 | |
| 234 | N | A | -1.7396 | |
| 235 | I | A | 0.0000 | |
| 236 | D | A | -2.1134 | |
| 237 | T | A | -1.5666 | |
| 238 | S | A | -1.9477 | |
| 239 | K | A | -2.5569 | |
| 240 | V | A | -2.0295 | |
| 241 | N | A | -1.8866 | |
| 242 | Y | A | -1.0772 | |
| 243 | G | A | -0.6775 | |
| 244 | V | A | 0.0652 | |
| 245 | T | A | -0.1193 | |
| 246 | V | A | -0.0528 | |
| 247 | L | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | T | A | -1.4672 | |
| 250 | F | A | 0.0000 | |
| 251 | K | A | -2.4990 | |
| 252 | G | A | -2.0874 | |
| 253 | Q | A | -1.9087 | |
| 254 | P | A | -1.2888 | |
| 255 | S | A | 0.0000 | |
| 256 | K | A | -1.1372 | |
| 257 | P | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | A | A | -0.7576 | |
| 269 | A | A | -0.6121 | |
| 270 | S | A | 0.0000 | |
| 271 | P | A | -0.9484 | |
| 272 | N | A | 0.0000 | |
| 273 | K | A | -1.6643 | |
| 274 | E | A | -2.4811 | |
| 275 | L | A | -1.4615 | |
| 276 | A | A | 0.0000 | |
| 277 | K | A | -2.2212 | |
| 278 | E | A | -2.4156 | |
| 279 | F | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | E | A | -1.4406 | |
| 282 | N | A | -1.8122 | |
| 283 | Y | A | -1.3750 | |
| 284 | L | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | -1.6780 | |
| 287 | D | A | -2.2880 | |
| 288 | E | A | -2.5594 | |
| 289 | G | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | E | A | -2.6195 | |
| 292 | A | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | -1.9653 | |
| 295 | K | A | -2.7021 | |
| 296 | D | A | -2.3762 | |
| 297 | K | A | -1.7412 | |
| 298 | P | A | -1.0710 | |
| 299 | L | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | A | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -2.2167 | |
| 306 | S | A | -1.9828 | |
| 307 | Y | A | 0.0000 | |
| 308 | E | A | -2.2078 | |
| 309 | E | A | -3.3091 | |
| 310 | E | A | -3.3488 | |
| 311 | L | A | -2.2744 | |
| 312 | A | A | -2.1324 | |
| 313 | K | A | -2.7152 | |
| 314 | D | A | -1.7810 | |
| 315 | P | A | -1.0464 | |
| 316 | R | A | -0.8642 | |
| 317 | I | A | 0.0000 | |
| 318 | A | A | -0.8200 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | M | A | -0.7408 | |
| 322 | E | A | -1.8170 | |
| 323 | N | A | 0.0000 | |
| 324 | A | A | -1.2847 | |
| 325 | Q | A | -2.1849 | |
| 326 | K | A | -1.9735 | |
| 327 | G | A | -1.5687 | |
| 328 | E | A | -1.3164 | |
| 329 | I | A | -0.0174 | |
| 330 | M | A | 0.0000 | |
| 331 | P | A | 0.0000 | |
| 332 | N | A | -0.2042 | |
| 333 | I | A | -0.3348 | |
| 334 | P | A | -0.5389 | |
| 335 | Q | A | -0.2334 | |
| 336 | M | A | 0.0000 | |
| 337 | S | A | -0.1475 | |
| 338 | A | A | -0.3466 | |
| 339 | F | A | 0.0000 | |
| 340 | W | A | 0.0000 | |
| 341 | Y | A | 0.0780 | |
| 342 | A | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | R | A | -0.3968 | |
| 345 | T | A | -0.3190 | |
| 346 | A | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | I | A | -0.4348 | |
| 349 | N | A | -1.1788 | |
| 350 | A | A | 0.0000 | |
| 351 | A | A | -1.2498 | |
| 352 | S | A | -1.5736 | |
| 353 | G | A | -1.7741 | |
| 354 | R | A | -2.5589 | |
| 355 | Q | A | -2.3857 | |
| 356 | T | A | -2.1177 | |
| 357 | V | A | -2.2707 | |
| 358 | D | A | -3.6269 | |
| 359 | E | A | -4.0416 | |
| 360 | A | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | K | A | -4.2307 | |
| 363 | D | A | -3.9736 | |
| 364 | A | A | 0.0000 | |
| 365 | Q | A | -2.5657 | |
| 366 | T | A | -2.1951 | |
| 367 | R | A | -2.6205 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | -1.1101 |
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