| Chain sequence(s) |
A: MLGPLPLAPEPAPLPDSAYVTPTDLLCIAETDLITETGNPFKDIIVDGKVLVKRVSSYQFKVFKLTLPDPNTFPLPSPDFVDRSTEILIWQLRAIKIHVYGPLGKGTYGHSNFNALGDVDNPTSYRHGTADDRIAYSFRPKRLQLYIIGCEPPLGVYETLAPPCPGLPPGACPPLTKKTTYIEHGDMCDIGFGAKDYKALLPRKDDVPDIIRDTSCKRIDYEGMRADPLGDRMFTSDELESSSASKTLVRDGPELHPLPSGPPVPLLYVPPSPLSPYWILPPTDLFTIPDEGEITESDLIFNKPIFLTKTPGLNQGICWHNRLYITVVDNTRAEIETIKTRTSTPANNVYDPSNYITSKKHTREYKISLIVQLCRIPLTPEVLAYLRRRDPSILISADLPDIPPEERPDPYAGKKFIEIDLTDKLSTDLEKSELGRQYLNQ
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 | M | A | 1.6224 | |
| 2 | L | A | 2.0217 | |
| 3 | G | A | 0.7701 | |
| 4 | P | A | 0.9172 | |
| 5 | L | A | 1.8553 | |
| 6 | P | A | 1.0667 | |
| 7 | L | A | 1.4689 | |
| 8 | A | A | 0.3150 | |
| 9 | P | A | -0.8057 | |
| 10 | E | A | -1.8169 | |
| 11 | P | A | -1.0365 | |
| 12 | A | A | -0.3993 | |
| 13 | P | A | -0.0750 | |
| 14 | L | A | 0.9995 | |
| 15 | P | A | 0.4696 | |
| 16 | D | A | 0.0000 | |
| 17 | S | A | -0.0800 | |
| 18 | A | A | 0.2157 | |
| 19 | Y | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | T | A | -0.4784 | |
| 22 | P | A | -0.8830 | |
| 23 | T | A | -1.0587 | |
| 24 | D | A | -1.7373 | |
| 25 | L | A | -0.6548 | |
| 26 | L | A | -0.3506 | |
| 27 | C | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | E | A | -1.0630 | |
| 31 | T | A | 0.0000 | |
| 32 | D | A | -1.2611 | |
| 33 | L | A | 0.4961 | |
| 34 | I | A | 0.2550 | |
| 35 | T | A | -0.1002 | |
| 36 | E | A | -0.6724 | |
| 37 | T | A | -0.6856 | |
| 38 | G | A | 0.0000 | |
| 39 | N | A | -1.6078 | |
| 40 | P | A | 0.0000 | |
| 41 | F | A | -1.2298 | |
| 42 | K | A | -2.0828 | |
| 43 | D | A | -0.9128 | |
| 44 | I | A | 1.3115 | |
| 45 | I | A | 2.2635 | |
| 46 | V | A | 1.6306 | |
| 47 | D | A | -1.0126 | |
| 48 | G | A | -0.6096 | |
| 49 | K | A | -0.2628 | |
| 50 | V | A | 1.4618 | |
| 51 | L | A | 2.2821 | |
| 52 | V | A | 0.8716 | |
| 53 | K | A | -1.1453 | |
| 54 | R | A | -1.6071 | |
| 55 | V | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | Q | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | K | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | K | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | T | A | -1.3430 | |
| 67 | L | A | 0.0000 | |
| 68 | P | A | 0.0000 | |
| 69 | D | A | -0.7063 | |
| 70 | P | A | 0.0000 | |
| 71 | N | A | -0.9650 | |
| 72 | T | A | -0.2409 | |
| 73 | F | A | -0.0536 | |
| 74 | P | A | -0.1654 | |
| 75 | L | A | -0.1705 | |
| 76 | P | A | -0.3940 | |
| 77 | S | A | -0.7257 | |
| 78 | P | A | -1.4737 | |
| 79 | D | A | -2.3347 | |
| 80 | F | A | -1.1198 | |
| 81 | V | A | 0.0000 | |
| 82 | D | A | -3.1644 | |
| 83 | R | A | -3.1532 | |
| 84 | S | A | -1.6869 | |
| 85 | T | A | -1.4033 | |
| 86 | E | A | -1.6864 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | Q | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | R | A | -0.4100 | |
| 94 | A | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | K | A | 0.0000 | |
| 97 | I | A | 0.0000 | |
| 98 | H | A | -0.4320 | |
| 99 | V | A | 0.0000 | |
| 100 | Y | A | 0.3020 | |
| 101 | G | A | -0.3855 | |
| 102 | P | A | -0.3578 | |
| 103 | L | A | -0.2093 | |
| 104 | G | A | -0.7082 | |
| 105 | K | A | -1.3682 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | -0.7371 | |
| 108 | Y | A | 0.0000 | |
| 109 | G | A | -0.5270 | |
| 110 | H | A | 0.0000 | |
| 111 | S | A | -0.6052 | |
| 112 | N | A | -1.4367 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | G | A | -0.8913 | |
| 118 | D | A | -1.4169 | |
| 119 | V | A | -0.7968 | |
| 120 | D | A | -2.5563 | |
| 121 | N | A | -2.3540 | |
| 122 | P | A | -1.4455 | |
| 123 | T | A | -0.8744 | |
| 124 | S | A | -0.6831 | |
| 125 | Y | A | -0.0001 | |
| 126 | R | A | -1.4993 | |
| 127 | H | A | -1.0146 | |
| 128 | G | A | -1.4453 | |
| 129 | T | A | -1.3705 | |
| 130 | A | A | -1.1374 | |
| 131 | D | A | -2.3634 | |
| 132 | D | A | -2.0632 | |
| 133 | R | A | -1.7525 | |
| 134 | I | A | -0.1107 | |
| 135 | A | A | 0.0038 | |
| 136 | Y | A | 0.0240 | |
| 137 | S | A | -0.2849 | |
| 138 | F | A | 0.0000 | |
| 139 | R | A | -1.0075 | |
| 140 | P | A | 0.0000 | |
| 141 | K | A | 0.0000 | |
| 142 | R | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | Q | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | E | A | -0.5852 | |
| 152 | P | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | L | A | -0.1934 | |
| 155 | G | A | 0.0000 | |
| 156 | V | A | -1.1358 | |
| 157 | Y | A | 0.0000 | |
| 158 | E | A | -1.4844 | |
| 159 | T | A | -0.6658 | |
| 160 | L | A | 0.4993 | |
| 161 | A | A | 0.2092 | |
| 162 | P | A | 0.0915 | |
| 163 | P | A | 0.3405 | |
| 164 | C | A | 0.5017 | |
| 165 | P | A | 0.0067 | |
| 166 | G | A | -0.1028 | |
| 167 | L | A | 0.5376 | |
| 168 | P | A | -0.1453 | |
| 169 | P | A | -0.3622 | |
| 170 | G | A | -0.1174 | |
| 171 | A | A | 0.4383 | |
| 172 | C | A | 1.0096 | |
| 173 | P | A | 0.7059 | |
| 174 | P | A | 0.9348 | |
| 175 | L | A | 0.8380 | |
| 176 | T | A | -0.6268 | |
| 177 | K | A | -2.2068 | |
| 178 | K | A | -2.0348 | |
| 179 | T | A | -1.0908 | |
| 180 | T | A | -0.2589 | |
| 181 | Y | A | -0.0116 | |
| 182 | I | A | 0.0000 | |
| 183 | E | A | -1.0601 | |
| 184 | H | A | -0.9720 | |
| 185 | G | A | -0.8969 | |
| 186 | D | A | -0.8457 | |
| 187 | M | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | D | A | -0.7189 | |
| 190 | I | A | 0.0000 | |
| 191 | G | A | -0.3570 | |
| 192 | F | A | -0.0460 | |
| 193 | G | A | -0.5980 | |
| 194 | A | A | -1.1076 | |
| 195 | K | A | -1.4056 | |
| 196 | D | A | -1.5927 | |
| 197 | Y | A | 0.0000 | |
| 198 | K | A | -2.8291 | |
| 199 | A | A | -0.9900 | |
| 200 | L | A | -0.7127 | |
| 201 | L | A | -1.6131 | |
| 202 | P | A | -1.9550 | |
| 203 | R | A | -2.8101 | |
| 204 | K | A | -3.1479 | |
| 205 | D | A | 0.0000 | |
| 206 | D | A | -1.4141 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | D | A | -1.7015 | |
| 210 | I | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | R | A | -2.3800 | |
| 213 | D | A | -2.7057 | |
| 214 | T | A | -1.5700 | |
| 215 | S | A | -1.1538 | |
| 216 | C | A | 0.0000 | |
| 217 | K | A | 0.0000 | |
| 218 | R | A | -1.5548 | |
| 219 | I | A | 0.0000 | |
| 220 | D | A | -1.2654 | |
| 221 | Y | A | -1.6437 | |
| 222 | E | A | -2.5738 | |
| 223 | G | A | -1.7075 | |
| 224 | M | A | 0.0000 | |
| 225 | R | A | -2.7306 | |
| 226 | A | A | -1.6226 | |
| 227 | D | A | -1.3160 | |
| 228 | P | A | -0.5088 | |
| 229 | L | A | -0.0019 | |
| 230 | G | A | 0.0000 | |
| 231 | D | A | 0.0000 | |
| 232 | R | A | -0.6006 | |
| 233 | M | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | T | A | -0.4810 | |
| 236 | S | A | -0.5897 | |
| 237 | D | A | -1.1757 | |
| 238 | E | A | -1.0149 | |
| 239 | L | A | -0.5925 | |
| 240 | E | A | -1.0146 | |
| 241 | S | A | -0.8830 | |
| 242 | S | A | -0.9331 | |
| 243 | S | A | -0.5582 | |
| 244 | A | A | -0.5354 | |
| 245 | S | A | -1.0678 | |
| 246 | K | A | -1.6605 | |
| 247 | T | A | -0.7450 | |
| 248 | L | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | R | A | 0.0000 | |
| 251 | D | A | -1.4760 | |
| 252 | G | A | -0.9118 | |
| 253 | P | A | -0.5993 | |
| 254 | E | A | -0.5223 | |
| 255 | L | A | 0.8182 | |
| 256 | H | A | -0.5724 | |
| 257 | P | A | -0.4696 | |
| 258 | L | A | 0.4906 | |
| 259 | P | A | 0.0119 | |
| 260 | S | A | 0.2095 | |
| 261 | G | A | -0.1500 | |
| 262 | P | A | -0.2880 | |
| 263 | P | A | -0.2383 | |
| 264 | V | A | 1.0118 | |
| 265 | P | A | 1.1219 | |
| 266 | L | A | 2.5768 | |
| 267 | L | A | 2.8252 | |
| 268 | Y | A | 2.3474 | |
| 269 | V | A | 2.3545 | |
| 270 | P | A | 1.3093 | |
| 271 | P | A | 1.2687 | |
| 272 | S | A | 0.7196 | |
| 273 | P | A | 1.0051 | |
| 274 | L | A | 1.5982 | |
| 275 | S | A | 1.3546 | |
| 276 | P | A | 1.2866 | |
| 277 | Y | A | 1.9971 | |
| 278 | W | A | 2.3703 | |
| 279 | I | A | 2.4154 | |
| 280 | L | A | 1.3693 | |
| 281 | P | A | 0.0244 | |
| 282 | P | A | -0.5727 | |
| 283 | T | A | -0.4985 | |
| 284 | D | A | -1.0346 | |
| 285 | L | A | 0.9206 | |
| 286 | F | A | 0.5583 | |
| 287 | T | A | 0.0582 | |
| 288 | I | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | D | A | -1.0589 | |
| 291 | E | A | 0.0000 | |
| 292 | G | A | -1.2945 | |
| 293 | E | A | -1.9676 | |
| 294 | I | A | -1.2612 | |
| 295 | T | A | -1.4813 | |
| 296 | E | A | -1.9944 | |
| 297 | S | A | -1.3965 | |
| 298 | D | A | -1.4512 | |
| 299 | L | A | -0.9314 | |
| 300 | I | A | -0.7390 | |
| 301 | F | A | 0.0000 | |
| 302 | N | A | -1.1355 | |
| 303 | K | A | -1.4960 | |
| 304 | P | A | -0.7628 | |
| 305 | I | A | 0.0245 | |
| 306 | F | A | -0.0494 | |
| 307 | L | A | 0.0000 | |
| 308 | T | A | -0.8517 | |
| 309 | K | A | -1.8042 | |
| 310 | T | A | 0.0000 | |
| 311 | P | A | -0.9613 | |
| 312 | G | A | -0.7419 | |
| 313 | L | A | 0.1604 | |
| 314 | N | A | 0.0000 | |
| 315 | Q | A | -0.7081 | |
| 316 | G | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | C | A | 0.0000 | |
| 319 | W | A | 0.0000 | |
| 320 | H | A | -0.8706 | |
| 321 | N | A | -0.8302 | |
| 322 | R | A | -1.0664 | |
| 323 | L | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | R | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -2.2350 | |
| 335 | I | A | -1.6806 | |
| 336 | E | A | -2.2792 | |
| 337 | T | A | -1.2943 | |
| 338 | I | A | -0.1664 | |
| 339 | K | A | -1.2806 | |
| 340 | T | A | -0.8879 | |
| 341 | R | A | -1.8521 | |
| 342 | T | A | -0.8057 | |
| 343 | S | A | -0.8515 | |
| 344 | T | A | -0.9134 | |
| 345 | P | A | -0.6556 | |
| 346 | A | A | -0.6221 | |
| 347 | N | A | -1.0698 | |
| 348 | N | A | -0.8106 | |
| 349 | V | A | 1.1189 | |
| 350 | Y | A | 1.1864 | |
| 351 | D | A | -0.1012 | |
| 352 | P | A | -0.3045 | |
| 353 | S | A | -0.3173 | |
| 354 | N | A | -0.6775 | |
| 355 | Y | A | -0.1450 | |
| 356 | I | A | 1.1135 | |
| 357 | T | A | 0.1274 | |
| 358 | S | A | -0.4960 | |
| 359 | K | A | -1.5136 | |
| 360 | K | A | -1.5584 | |
| 361 | H | A | 0.0000 | |
| 362 | T | A | -0.8455 | |
| 363 | R | A | 0.0000 | |
| 364 | E | A | -0.1416 | |
| 365 | Y | A | 0.0000 | |
| 366 | K | A | -0.5242 | |
| 367 | I | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | Q | A | -0.5692 | |
| 373 | L | A | 0.0000 | |
| 374 | C | A | 0.0000 | |
| 375 | R | A | -1.3724 | |
| 376 | I | A | 0.0000 | |
| 377 | P | A | -0.8783 | |
| 378 | L | A | -0.4615 | |
| 379 | T | A | -0.5767 | |
| 380 | P | A | -0.9564 | |
| 381 | E | A | -1.7485 | |
| 382 | V | A | -0.8382 | |
| 383 | L | A | -0.8928 | |
| 384 | A | A | -1.3767 | |
| 385 | Y | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | R | A | -2.1342 | |
| 388 | R | A | -2.6340 | |
| 389 | R | A | -1.7199 | |
| 390 | D | A | -1.3780 | |
| 391 | P | A | -1.5740 | |
| 392 | S | A | -1.5013 | |
| 393 | I | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | I | A | -1.1584 | |
| 396 | S | A | -0.6319 | |
| 397 | A | A | -0.9789 | |
| 398 | D | A | -1.8518 | |
| 399 | L | A | -1.0965 | |
| 400 | P | A | -1.3046 | |
| 401 | D | A | -1.9429 | |
| 402 | I | A | -1.2100 | |
| 403 | P | A | -1.5478 | |
| 404 | P | A | -2.2414 | |
| 405 | E | A | -3.3019 | |
| 406 | E | A | -3.7461 | |
| 407 | R | A | -3.5555 | |
| 408 | P | A | -2.1738 | |
| 409 | D | A | -1.5386 | |
| 410 | P | A | -0.9552 | |
| 411 | Y | A | -0.7464 | |
| 412 | A | A | -0.8721 | |
| 413 | G | A | -1.2648 | |
| 414 | K | A | -1.8190 | |
| 415 | K | A | -2.4172 | |
| 416 | F | A | -1.3909 | |
| 417 | I | A | -1.0836 | |
| 418 | E | A | -2.1964 | |
| 419 | I | A | -1.7448 | |
| 420 | D | A | -2.5637 | |
| 421 | L | A | 0.0000 | |
| 422 | T | A | -1.5982 | |
| 423 | D | A | -2.3336 | |
| 424 | K | A | -1.9736 | |
| 425 | L | A | -0.7924 | |
| 426 | S | A | -0.8539 | |
| 427 | T | A | -0.6899 | |
| 428 | D | A | -1.8080 | |
| 429 | L | A | -1.9824 | |
| 430 | E | A | -3.4635 | |
| 431 | K | A | -3.3640 | |
| 432 | S | A | 0.0000 | |
| 433 | E | A | -2.5444 | |
| 434 | L | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | R | A | -3.3898 | |
| 437 | Q | A | -2.0985 | |
| 438 | Y | A | -1.0240 | |
| 439 | L | A | -0.5865 | |
| 440 | N | A | -1.7491 | |
| 441 | Q | A | -1.6100 |
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