| Chain sequence(s) |
A: GPPAGGTEPALRSTDEYVTPTDLLYVAETDLITETGNPTEDIVVDGKVVVPKVSAYQYRVFLLKLPDPNTLPLPSADFVDPETERLIWRLRAFEIHVYGPLGTGTYGHKNFNRFGDVENPTEPQHETADDTVDFSFRPKRKQLFIIGCEPPLGKYTAPAPPAPGLPPGALPPTVTVTDIIQHGDMADIGFGARDFAKLLPSKNEVPDIILNTKTKRPDLEGMKADPVGNRMFTYDEYEESKDVKKYRRSGPDLLPLPDENPPSKLYTKPPPESPFWKLPSYNYFTIPDQGEITEDKLLFNRPYFFEEAEGLNNFILWHNRLYVTVLDNTRAEIETIKTQVSTPEENVYNESDYVTSKRYTEEYRLSLIVQLCRIPLTPETLALLSRIDPSILVDWKLPDIPPVERKDKYEGLKFRELDLTNKLSSDLEKYELGRLYLNR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX 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. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | G | A | -0.6518 | |
| 2 | P | A | -0.6711 | |
| 3 | P | A | -0.6831 | |
| 4 | A | A | -0.5748 | |
| 5 | G | A | -1.1063 | |
| 6 | G | A | -1.3102 | |
| 7 | T | A | -1.3229 | |
| 8 | E | A | -2.2323 | |
| 9 | P | A | -1.5693 | |
| 10 | A | A | -0.7084 | |
| 11 | L | A | -0.5063 | |
| 12 | R | A | -1.4192 | |
| 13 | S | A | -1.3941 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.8530 | |
| 16 | E | A | -2.8130 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.9393 | |
| 20 | P | A | -0.9081 | |
| 21 | T | A | 0.0000 | |
| 22 | D | A | -1.6021 | |
| 23 | L | A | -0.4444 | |
| 24 | L | A | -0.1556 | |
| 25 | Y | A | -0.0910 | |
| 26 | V | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -1.1536 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.6081 | |
| 31 | L | A | -0.2199 | |
| 32 | I | A | 0.0000 | |
| 33 | T | A | -0.3234 | |
| 34 | E | A | -0.3994 | |
| 35 | T | A | -0.4448 | |
| 36 | G | A | 0.0000 | |
| 37 | N | A | -1.7574 | |
| 38 | P | A | 0.0000 | |
| 39 | T | A | -1.7035 | |
| 40 | E | A | -2.0186 | |
| 41 | D | A | -0.6086 | |
| 42 | I | A | 1.5718 | |
| 43 | V | A | 2.3199 | |
| 44 | V | A | 1.6519 | |
| 45 | D | A | -0.9783 | |
| 46 | G | A | -0.5520 | |
| 47 | K | A | -0.1406 | |
| 48 | V | A | 2.1075 | |
| 49 | V | A | 2.7813 | |
| 50 | V | A | 1.6397 | |
| 51 | P | A | 0.2210 | |
| 52 | K | A | -1.0566 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.8070 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.2889 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -0.9644 | |
| 70 | T | A | -0.4945 | |
| 71 | L | A | -0.1290 | |
| 72 | P | A | -0.0196 | |
| 73 | L | A | 0.1196 | |
| 74 | P | A | -0.2284 | |
| 75 | S | A | -0.6036 | |
| 76 | A | A | -0.9364 | |
| 77 | D | A | -1.9545 | |
| 78 | F | A | -0.9159 | |
| 79 | V | A | 0.0000 | |
| 80 | D | A | -2.5213 | |
| 81 | P | A | -2.2157 | |
| 82 | E | A | -2.5371 | |
| 83 | T | A | -1.6823 | |
| 84 | E | A | -1.6910 | |
| 85 | R | A | -1.2369 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.4563 | |
| 92 | A | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | E | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | H | A | -0.7228 | |
| 97 | V | A | 0.0000 | |
| 98 | Y | A | -0.0267 | |
| 99 | G | A | -0.5937 | |
| 100 | P | A | -0.4667 | |
| 101 | L | A | -0.3208 | |
| 102 | G | A | -0.6414 | |
| 103 | T | A | -0.9263 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.5706 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -1.3005 | |
| 108 | H | A | 0.0000 | |
| 109 | K | A | -2.9073 | |
| 110 | N | A | -2.7198 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | R | A | -0.7667 | |
| 114 | F | A | -0.6981 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.4509 | |
| 117 | V | A | -0.9169 | |
| 118 | E | A | -2.0121 | |
| 119 | N | A | -2.2415 | |
| 120 | P | A | -1.7705 | |
| 121 | T | A | -1.6269 | |
| 122 | E | A | -2.2356 | |
| 123 | P | A | -1.1862 | |
| 124 | Q | A | -1.7152 | |
| 125 | H | A | -1.8425 | |
| 126 | E | A | -1.9214 | |
| 127 | T | A | -1.3531 | |
| 128 | A | A | -1.0776 | |
| 129 | D | A | -2.0450 | |
| 130 | D | A | -1.4620 | |
| 131 | T | A | -1.4686 | |
| 132 | V | A | -1.4172 | |
| 133 | D | A | -2.5538 | |
| 134 | F | A | -1.2685 | |
| 135 | S | A | -0.9157 | |
| 136 | F | A | 0.0000 | |
| 137 | R | A | -0.6250 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | R | A | 0.0000 | |
| 141 | K | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | E | A | -0.3334 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | L | A | -0.2964 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | -1.1263 | |
| 155 | Y | A | 0.0000 | |
| 156 | T | A | -0.3378 | |
| 157 | A | A | 0.0000 | |
| 158 | P | A | -0.2110 | |
| 159 | A | A | 0.0793 | |
| 160 | P | A | -0.3203 | |
| 161 | P | A | -0.3740 | |
| 162 | A | A | -0.1728 | |
| 163 | P | A | -0.3069 | |
| 164 | G | A | -0.2000 | |
| 165 | L | A | 0.6740 | |
| 166 | P | A | 0.0609 | |
| 167 | P | A | -0.2149 | |
| 168 | G | A | 0.1931 | |
| 169 | A | A | 1.0249 | |
| 170 | L | A | 1.6904 | |
| 171 | P | A | 0.6641 | |
| 172 | P | A | 0.3048 | |
| 173 | T | A | 0.4338 | |
| 174 | V | A | 0.9145 | |
| 175 | T | A | 0.3947 | |
| 176 | V | A | 0.2265 | |
| 177 | T | A | -0.3094 | |
| 178 | D | A | -0.4820 | |
| 179 | I | A | -0.2919 | |
| 180 | I | A | 0.0000 | |
| 181 | Q | A | -0.9514 | |
| 182 | H | A | -1.2607 | |
| 183 | G | A | -0.8093 | |
| 184 | D | A | -0.8262 | |
| 185 | M | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | -0.8233 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.4448 | |
| 190 | F | A | -0.1503 | |
| 191 | G | A | -0.5684 | |
| 192 | A | A | -1.1810 | |
| 193 | R | A | -1.5079 | |
| 194 | D | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | A | A | -1.8479 | |
| 197 | K | A | -2.0543 | |
| 198 | L | A | -0.9838 | |
| 199 | L | A | -1.0023 | |
| 200 | P | A | -1.1537 | |
| 201 | S | A | -1.2339 | |
| 202 | K | A | -2.3536 | |
| 203 | N | A | -1.8646 | |
| 204 | E | A | -1.1018 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.9267 | |
| 208 | I | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -1.4042 | |
| 211 | N | A | -1.9802 | |
| 212 | T | A | -1.4653 | |
| 213 | K | A | -1.7007 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | R | A | -1.4473 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | -1.3468 | |
| 219 | L | A | -1.5262 | |
| 220 | E | A | -2.5016 | |
| 221 | G | A | -1.7362 | |
| 222 | M | A | 0.0000 | |
| 223 | K | A | -2.8268 | |
| 224 | A | A | -1.7514 | |
| 225 | D | A | -1.5888 | |
| 226 | P | A | -0.8879 | |
| 227 | V | A | -0.5895 | |
| 228 | G | A | 0.0000 | |
| 229 | N | A | 0.0000 | |
| 230 | R | A | -0.5571 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | T | A | -0.9587 | |
| 234 | Y | A | -0.3422 | |
| 235 | D | A | -0.6004 | |
| 236 | E | A | -0.7640 | |
| 237 | Y | A | -0.7203 | |
| 238 | E | A | -1.1146 | |
| 239 | E | A | -1.3269 | |
| 240 | S | A | -1.4966 | |
| 241 | K | A | -2.1859 | |
| 242 | D | A | -2.2358 | |
| 243 | V | A | -0.7678 | |
| 244 | K | A | -1.6164 | |
| 245 | K | A | -1.7974 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | -0.2404 | |
| 248 | R | A | -0.4936 | |
| 249 | S | A | -0.9258 | |
| 250 | G | A | -0.6699 | |
| 251 | P | A | -0.0167 | |
| 252 | D | A | 0.6945 | |
| 253 | L | A | 2.1390 | |
| 254 | L | A | 2.0947 | |
| 255 | P | A | 0.2531 | |
| 256 | L | A | 0.0444 | |
| 257 | P | A | -1.9729 | |
| 258 | D | A | -3.1367 | |
| 259 | E | A | -3.5055 | |
| 260 | N | A | -3.0472 | |
| 261 | P | A | -2.3216 | |
| 262 | P | A | -1.8543 | |
| 263 | S | A | -1.3357 | |
| 264 | K | A | -1.0986 | |
| 265 | L | A | 0.7395 | |
| 266 | Y | A | 0.3126 | |
| 267 | T | A | -0.3565 | |
| 268 | K | A | -0.6563 | |
| 269 | P | A | -0.4714 | |
| 270 | P | A | -0.9572 | |
| 271 | P | A | -1.2311 | |
| 272 | E | A | -1.7236 | |
| 273 | S | A | -0.7661 | |
| 274 | P | A | -0.5162 | |
| 275 | F | A | 0.5018 | |
| 276 | W | A | -0.1904 | |
| 277 | K | A | -1.1606 | |
| 278 | L | A | 0.0819 | |
| 279 | P | A | -0.4624 | |
| 280 | S | A | 0.0000 | |
| 281 | Y | A | 0.6951 | |
| 282 | N | A | -0.0451 | |
| 283 | Y | A | 0.7480 | |
| 284 | F | A | 0.0057 | |
| 285 | T | A | -0.7181 | |
| 286 | I | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | 0.0000 | |
| 289 | Q | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | E | A | -1.8630 | |
| 292 | I | A | -1.3447 | |
| 293 | T | A | -1.9200 | |
| 294 | E | A | -2.7724 | |
| 295 | D | A | -3.0043 | |
| 296 | K | A | -2.1400 | |
| 297 | L | A | -1.5610 | |
| 298 | L | A | -1.0231 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.4305 | |
| 301 | R | A | -1.6111 | |
| 302 | P | A | -0.7289 | |
| 303 | Y | A | -0.0921 | |
| 304 | F | A | -0.1435 | |
| 305 | F | A | 0.0000 | |
| 306 | E | A | -2.2784 | |
| 307 | E | A | -3.0634 | |
| 308 | A | A | -2.0309 | |
| 309 | E | A | -2.5492 | |
| 310 | G | A | -1.6374 | |
| 311 | L | A | -0.9493 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.7433 | |
| 319 | N | A | -0.8149 | |
| 320 | R | A | -0.7975 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | -0.5765 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | -2.2551 | |
| 333 | I | A | -1.9261 | |
| 334 | E | A | -2.4493 | |
| 335 | T | A | -1.5534 | |
| 336 | I | A | -0.3768 | |
| 337 | K | A | -0.7284 | |
| 338 | T | A | 0.1734 | |
| 339 | Q | A | -0.2400 | |
| 340 | V | A | 1.5162 | |
| 341 | S | A | 0.3475 | |
| 342 | T | A | -0.6150 | |
| 343 | P | A | -1.4276 | |
| 344 | E | A | -2.6050 | |
| 345 | E | A | -2.8188 | |
| 346 | N | A | -1.8627 | |
| 347 | V | A | -0.2147 | |
| 348 | Y | A | 0.1975 | |
| 349 | N | A | -1.0911 | |
| 350 | E | A | -1.8101 | |
| 351 | S | A | -0.5942 | |
| 352 | D | A | 0.0000 | |
| 353 | Y | A | 0.4342 | |
| 354 | V | A | 1.4364 | |
| 355 | T | A | -0.0695 | |
| 356 | S | A | -0.9243 | |
| 357 | K | A | -2.4913 | |
| 358 | R | A | -2.4585 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.9514 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -0.4090 | |
| 363 | Y | A | 0.0000 | |
| 364 | R | A | -0.9481 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | Q | A | -0.3262 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | R | A | -0.7021 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.9125 | |
| 376 | L | A | -0.8455 | |
| 377 | T | A | -0.6660 | |
| 378 | P | A | -0.9940 | |
| 379 | E | A | -1.8315 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | -0.4226 | |
| 382 | A | A | -1.0732 | |
| 383 | L | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | S | A | -0.7939 | |
| 386 | R | A | -1.4139 | |
| 387 | I | A | -0.4452 | |
| 388 | D | A | -0.5882 | |
| 389 | P | A | -0.5799 | |
| 390 | S | A | -1.0336 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -0.5086 | |
| 393 | V | A | -0.5981 | |
| 394 | D | A | -1.2910 | |
| 395 | W | A | -1.0685 | |
| 396 | K | A | -1.9877 | |
| 397 | L | A | 0.0000 | |
| 398 | P | A | -1.6635 | |
| 399 | D | A | -2.0367 | |
| 400 | I | A | -0.7561 | |
| 401 | P | A | -0.5573 | |
| 402 | P | A | -0.5800 | |
| 403 | V | A | 0.1088 | |
| 404 | E | A | -2.1036 | |
| 405 | R | A | -2.4029 | |
| 406 | K | A | -3.3580 | |
| 407 | D | A | -3.3370 | |
| 408 | K | A | -3.1652 | |
| 409 | Y | A | 0.0000 | |
| 410 | E | A | -3.1836 | |
| 411 | G | A | -1.8083 | |
| 412 | L | A | -1.3432 | |
| 413 | K | A | -2.3804 | |
| 414 | F | A | -1.7597 | |
| 415 | R | A | -2.5764 | |
| 416 | E | A | -3.0469 | |
| 417 | L | A | -2.2672 | |
| 418 | D | A | -2.8210 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.5925 | |
| 421 | N | A | -1.7943 | |
| 422 | K | A | -1.6279 | |
| 423 | L | A | -0.5557 | |
| 424 | S | A | -0.9082 | |
| 425 | S | A | -0.7801 | |
| 426 | D | A | -1.8704 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -3.2671 | |
| 429 | K | A | -3.3046 | |
| 430 | Y | A | -2.3874 | |
| 431 | E | A | -2.6737 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.5136 | |
| 435 | L | A | -0.8534 | |
| 436 | Y | A | -0.5377 | |
| 437 | L | A | -0.3150 | |
| 438 | N | A | -1.5728 | |
| 439 | R | A | -1.9296 |
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