| Chain sequence(s) |
A: MLGPPLGNPEPELRHTSEFVTPTDLLCIAETDLLTEEGHPTKDIVVDGKVLVKRVSAHDFRVFLLKLPDPNKFPLPSDDFLDPSTEIRIWRLLAFKIHVFGPLGVGTYGHPNFNRLGDVDNPTEYVHESSDVTVNLSWRPKLKQFYIIGCEPPVGVYTDIAEPCPGLPPGACPPLVTKTTTIQHGDRCDIGFGAKDFAKLLPSKDDVPDIIRDTTCKRFDIDGMRADPTGRRMFTYDEREKSYNSKNYVRSGPVLYPLPDSSPPSPLYVKPDPSSPYWKRPSYDYFTLPDRGEITEEDLLFNKPIFLTQTPGKNDGICWHNKLYVTVVDNSREEIERIRTRISTPEVDVYDPSNYVESERYRVEYKLSLIVQLCTIPLTPETLAYLERLDRSFLINSNLPDIPPEVRPDPLAGLKFIEIDLTDKLSTNLEETELGREYLNR
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 | 1.6065 | |
| 2 | L | A | 1.7189 | |
| 3 | G | A | 0.6560 | |
| 4 | P | A | 0.2548 | |
| 5 | P | A | 0.1737 | |
| 6 | L | A | 0.5119 | |
| 7 | G | A | -0.7592 | |
| 8 | N | A | -1.7858 | |
| 9 | P | A | -1.9287 | |
| 10 | E | A | -2.9204 | |
| 11 | P | A | -2.4973 | |
| 12 | E | A | -2.5259 | |
| 13 | L | A | -1.5475 | |
| 14 | R | A | -1.7330 | |
| 15 | H | A | -1.6124 | |
| 16 | T | A | 0.0000 | |
| 17 | S | A | -1.4432 | |
| 18 | E | A | -2.2202 | |
| 19 | F | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | T | A | -0.5576 | |
| 22 | P | A | -0.7270 | |
| 23 | T | A | -0.9483 | |
| 24 | D | A | -1.7094 | |
| 25 | L | A | -0.6226 | |
| 26 | L | A | -0.2900 | |
| 27 | C | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | E | A | -0.8100 | |
| 31 | T | A | 0.0000 | |
| 32 | D | A | -1.2757 | |
| 33 | L | A | 0.4969 | |
| 34 | L | A | 0.2323 | |
| 35 | T | A | -0.6484 | |
| 36 | E | A | -1.7300 | |
| 37 | E | A | -2.4687 | |
| 38 | G | A | 0.0000 | |
| 39 | H | A | -2.0304 | |
| 40 | P | A | 0.0000 | |
| 41 | T | A | -1.6569 | |
| 42 | K | A | -2.4682 | |
| 43 | D | A | -1.5899 | |
| 44 | I | A | 0.6808 | |
| 45 | V | A | 1.7388 | |
| 46 | V | A | 1.3563 | |
| 47 | D | A | -1.0799 | |
| 48 | G | A | -0.6912 | |
| 49 | K | A | -0.4519 | |
| 50 | V | A | 1.0670 | |
| 51 | L | A | 1.8409 | |
| 52 | V | A | 0.0582 | |
| 53 | K | A | -1.9148 | |
| 54 | R | A | -2.2750 | |
| 55 | V | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | H | A | 0.0000 | |
| 59 | D | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | K | A | -2.0045 | |
| 67 | L | A | 0.0000 | |
| 68 | P | A | 0.0000 | |
| 69 | D | A | -1.5403 | |
| 70 | P | A | 0.0000 | |
| 71 | N | A | -1.7669 | |
| 72 | K | A | -2.0675 | |
| 73 | F | A | -0.9526 | |
| 74 | P | A | -0.7486 | |
| 75 | L | A | -0.4702 | |
| 76 | P | A | -0.8252 | |
| 77 | S | A | -1.3501 | |
| 78 | D | A | -2.0359 | |
| 79 | D | A | -1.8300 | |
| 80 | F | A | 0.2489 | |
| 81 | L | A | -0.2586 | |
| 82 | D | A | -0.8942 | |
| 83 | P | A | -0.7287 | |
| 84 | S | A | -0.7728 | |
| 85 | T | A | -0.6530 | |
| 86 | E | A | -0.7511 | |
| 87 | I | A | 0.0000 | |
| 88 | R | A | -0.8113 | |
| 89 | I | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | R | A | -0.3631 | |
| 92 | L | A | 0.0000 | |
| 93 | L | A | 0.1043 | |
| 94 | A | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | K | A | 0.0000 | |
| 97 | I | A | 0.0000 | |
| 98 | H | A | -0.3158 | |
| 99 | V | A | 0.0000 | |
| 100 | F | A | 0.4763 | |
| 101 | G | A | -0.5069 | |
| 102 | P | A | -0.1600 | |
| 103 | L | A | 0.2113 | |
| 104 | G | A | 0.1237 | |
| 105 | V | A | 0.4958 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | -0.2476 | |
| 108 | Y | A | 0.0000 | |
| 109 | G | A | -0.9642 | |
| 110 | H | A | 0.0000 | |
| 111 | P | A | -1.4877 | |
| 112 | N | A | -2.2077 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | -1.2294 | |
| 115 | R | A | -0.7323 | |
| 116 | L | A | -0.6776 | |
| 117 | G | A | 0.0000 | |
| 118 | D | A | -1.3647 | |
| 119 | V | A | -1.0624 | |
| 120 | D | A | -2.5557 | |
| 121 | N | A | -2.5346 | |
| 122 | P | A | -1.7201 | |
| 123 | T | A | -1.4346 | |
| 124 | E | A | -1.8839 | |
| 125 | Y | A | -0.5402 | |
| 126 | V | A | -0.7274 | |
| 127 | H | A | -1.7846 | |
| 128 | E | A | -2.4547 | |
| 129 | S | A | -1.5553 | |
| 130 | S | A | -1.4499 | |
| 131 | D | A | -2.1562 | |
| 132 | V | A | -1.2308 | |
| 133 | T | A | -1.2049 | |
| 134 | V | A | -0.9289 | |
| 135 | N | A | -1.5974 | |
| 136 | L | A | -0.8203 | |
| 137 | S | A | -0.6335 | |
| 138 | W | A | 0.0000 | |
| 139 | R | A | -0.5563 | |
| 140 | P | A | 0.0000 | |
| 141 | K | A | -1.0635 | |
| 142 | L | A | 0.0000 | |
| 143 | K | A | 0.0000 | |
| 144 | Q | A | 0.0000 | |
| 145 | F | 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 | -0.6754 | |
| 152 | P | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | V | A | -0.2909 | |
| 155 | G | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | Y | A | -0.7641 | |
| 158 | T | A | 0.2396 | |
| 159 | D | A | 0.0000 | |
| 160 | I | A | 0.4376 | |
| 161 | A | A | 0.0387 | |
| 162 | E | A | -1.3507 | |
| 163 | P | A | -0.3123 | |
| 164 | C | A | 0.1784 | |
| 165 | P | A | -0.1696 | |
| 166 | G | A | -0.0791 | |
| 167 | L | A | 0.5861 | |
| 168 | P | A | -0.1262 | |
| 169 | P | A | -0.3503 | |
| 170 | G | A | -0.1125 | |
| 171 | A | A | 0.5337 | |
| 172 | C | A | 1.2219 | |
| 173 | P | A | 0.6722 | |
| 174 | P | A | 0.8976 | |
| 175 | L | A | 1.7784 | |
| 176 | V | A | 1.1292 | |
| 177 | T | A | 0.2494 | |
| 178 | K | A | -0.4605 | |
| 179 | T | A | -0.5852 | |
| 180 | T | A | -0.3832 | |
| 181 | T | A | 0.0104 | |
| 182 | I | A | 0.0000 | |
| 183 | Q | A | -0.7900 | |
| 184 | H | A | -0.7374 | |
| 185 | G | A | -0.6784 | |
| 186 | D | A | -0.8477 | |
| 187 | R | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | D | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | G | A | -0.4974 | |
| 192 | F | A | -0.0689 | |
| 193 | G | A | -0.5679 | |
| 194 | A | A | -0.8617 | |
| 195 | K | A | -1.0848 | |
| 196 | D | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | A | A | -1.7204 | |
| 199 | K | A | -1.9150 | |
| 200 | L | A | -0.6008 | |
| 201 | L | A | -1.0584 | |
| 202 | P | A | -1.2670 | |
| 203 | S | A | -1.1587 | |
| 204 | K | A | -2.3082 | |
| 205 | D | A | -1.6555 | |
| 206 | D | A | -1.1492 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | D | A | -1.8655 | |
| 210 | I | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | R | A | -2.0132 | |
| 213 | D | A | -2.1353 | |
| 214 | T | A | -1.2649 | |
| 215 | T | A | -0.8091 | |
| 216 | C | A | 0.0000 | |
| 217 | K | A | 0.0000 | |
| 218 | R | A | -1.8762 | |
| 219 | F | A | -1.1094 | |
| 220 | D | A | -1.3947 | |
| 221 | I | A | -1.5600 | |
| 222 | D | A | -2.5257 | |
| 223 | G | A | -1.7591 | |
| 224 | M | A | 0.0000 | |
| 225 | R | A | -2.7705 | |
| 226 | A | A | -1.6781 | |
| 227 | D | A | -1.4911 | |
| 228 | P | A | -1.1754 | |
| 229 | T | A | -0.7456 | |
| 230 | G | A | 0.0000 | |
| 231 | R | A | 0.0000 | |
| 232 | R | A | -0.8535 | |
| 233 | M | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | T | A | -0.2055 | |
| 236 | Y | A | -0.2096 | |
| 237 | D | A | -1.2612 | |
| 238 | E | A | -1.9608 | |
| 239 | R | A | -2.2790 | |
| 240 | E | A | -2.5085 | |
| 241 | K | A | -2.1404 | |
| 242 | S | A | -1.4413 | |
| 243 | Y | A | -0.6963 | |
| 244 | N | A | -1.4553 | |
| 245 | S | A | -1.4075 | |
| 246 | K | A | -2.0539 | |
| 247 | N | A | -1.4228 | |
| 248 | Y | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | R | A | 0.0000 | |
| 251 | S | A | -0.9516 | |
| 252 | G | A | -0.4600 | |
| 253 | P | A | 0.0046 | |
| 254 | V | A | 1.1052 | |
| 255 | L | A | 2.0009 | |
| 256 | Y | A | 2.0740 | |
| 257 | P | A | 0.7408 | |
| 258 | L | A | 0.6543 | |
| 259 | P | A | -0.4423 | |
| 260 | D | A | -1.8059 | |
| 261 | S | A | -0.8130 | |
| 262 | S | A | -0.9877 | |
| 263 | P | A | -0.5748 | |
| 264 | P | A | -0.1736 | |
| 265 | S | A | 0.1506 | |
| 266 | P | A | 0.5435 | |
| 267 | L | A | 1.6573 | |
| 268 | Y | A | 1.4346 | |
| 269 | V | A | 1.5722 | |
| 270 | K | A | -0.2606 | |
| 271 | P | A | -0.6774 | |
| 272 | D | A | -1.7886 | |
| 273 | P | A | -1.2347 | |
| 274 | S | A | -0.8879 | |
| 275 | S | A | -0.6098 | |
| 276 | P | A | -0.3655 | |
| 277 | Y | A | 0.0954 | |
| 278 | W | A | -0.6277 | |
| 279 | K | A | -2.0510 | |
| 280 | R | A | -1.3747 | |
| 281 | P | A | -1.0802 | |
| 282 | S | A | 0.0000 | |
| 283 | Y | A | -0.0207 | |
| 284 | D | A | -0.7696 | |
| 285 | Y | A | 0.6384 | |
| 286 | F | A | 0.1425 | |
| 287 | T | A | -0.4550 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | D | A | 0.0000 | |
| 291 | R | A | 0.0000 | |
| 292 | G | A | -1.1691 | |
| 293 | E | A | -1.7807 | |
| 294 | I | A | -1.2859 | |
| 295 | T | A | -1.8749 | |
| 296 | E | A | -2.6951 | |
| 297 | E | A | -2.8802 | |
| 298 | D | A | -2.4834 | |
| 299 | L | A | -1.5082 | |
| 300 | L | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | N | A | -1.1176 | |
| 303 | K | A | -1.5298 | |
| 304 | P | A | -0.7955 | |
| 305 | I | A | 0.1312 | |
| 306 | F | A | 0.0825 | |
| 307 | L | A | 0.0000 | |
| 308 | T | A | -0.5099 | |
| 309 | Q | A | -1.3397 | |
| 310 | T | A | 0.0000 | |
| 311 | P | A | -1.1105 | |
| 312 | G | A | -1.2458 | |
| 313 | K | A | -1.2887 | |
| 314 | N | A | 0.0000 | |
| 315 | D | A | -0.8028 | |
| 316 | G | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | C | A | 0.0000 | |
| 319 | W | A | 0.0000 | |
| 320 | H | A | -1.0238 | |
| 321 | N | A | -1.0771 | |
| 322 | K | A | -1.2172 | |
| 323 | L | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | V | 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 | S | A | 0.0000 | |
| 332 | R | A | -0.2467 | |
| 333 | E | A | 0.0000 | |
| 334 | E | A | -1.9647 | |
| 335 | I | A | 0.0000 | |
| 336 | E | A | -2.7757 | |
| 337 | R | A | -3.1240 | |
| 338 | I | A | -1.4878 | |
| 339 | R | A | -1.9889 | |
| 340 | T | A | -0.5058 | |
| 341 | R | A | -0.0566 | |
| 342 | I | A | 1.7527 | |
| 343 | S | A | 0.3159 | |
| 344 | T | A | -0.4374 | |
| 345 | P | A | -1.0897 | |
| 346 | E | A | -1.7585 | |
| 347 | V | A | -0.3961 | |
| 348 | D | A | -0.8125 | |
| 349 | V | A | 1.3178 | |
| 350 | Y | A | 1.2339 | |
| 351 | D | A | -0.1004 | |
| 352 | P | A | -0.2556 | |
| 353 | S | A | 0.0498 | |
| 354 | N | A | 0.1311 | |
| 355 | Y | A | 0.4146 | |
| 356 | V | A | 0.6889 | |
| 357 | E | A | -1.8369 | |
| 358 | S | A | -1.6292 | |
| 359 | E | A | -2.1230 | |
| 360 | R | A | -2.2859 | |
| 361 | Y | A | 0.0000 | |
| 362 | R | A | -2.5535 | |
| 363 | V | A | 0.0000 | |
| 364 | E | A | -0.4253 | |
| 365 | Y | A | 0.0000 | |
| 366 | K | A | -0.4128 | |
| 367 | L | 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 | -0.4334 | |
| 373 | L | A | 0.0000 | |
| 374 | C | A | 0.0000 | |
| 375 | T | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | P | A | -0.4084 | |
| 378 | L | A | -0.2557 | |
| 379 | T | A | -0.6151 | |
| 380 | P | A | -0.9431 | |
| 381 | E | A | -1.9214 | |
| 382 | T | A | 0.0000 | |
| 383 | L | A | -0.9405 | |
| 384 | A | A | -1.4785 | |
| 385 | Y | A | -1.7530 | |
| 386 | L | A | 0.0000 | |
| 387 | E | A | -3.0633 | |
| 388 | R | A | -2.9607 | |
| 389 | L | A | -1.5007 | |
| 390 | D | A | -1.7114 | |
| 391 | R | A | -2.5350 | |
| 392 | S | A | -1.6864 | |
| 393 | F | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | N | A | -2.1801 | |
| 397 | S | A | -1.4628 | |
| 398 | N | A | -2.0314 | |
| 399 | L | A | -1.3337 | |
| 400 | P | A | -1.3731 | |
| 401 | D | A | -1.9588 | |
| 402 | I | A | -1.4512 | |
| 403 | P | A | -1.2104 | |
| 404 | P | A | -1.3977 | |
| 405 | E | A | -1.3875 | |
| 406 | V | A | 0.2022 | |
| 407 | R | A | -1.1145 | |
| 408 | P | A | -1.2064 | |
| 409 | D | A | -1.6930 | |
| 410 | P | A | -1.0612 | |
| 411 | L | A | -0.5972 | |
| 412 | A | A | -0.7871 | |
| 413 | G | A | -0.7869 | |
| 414 | L | A | -0.5755 | |
| 415 | K | A | -1.7859 | |
| 416 | F | A | -1.0139 | |
| 417 | I | A | -1.0222 | |
| 418 | E | A | -2.3556 | |
| 419 | I | A | 0.0000 | |
| 420 | D | A | -2.8812 | |
| 421 | L | A | 0.0000 | |
| 422 | T | A | -1.7866 | |
| 423 | D | A | -2.3324 | |
| 424 | K | A | -1.9033 | |
| 425 | L | A | -0.7437 | |
| 426 | S | A | -1.0701 | |
| 427 | T | A | -0.7439 | |
| 428 | N | A | -1.9358 | |
| 429 | L | A | -1.9316 | |
| 430 | E | A | -3.4117 | |
| 431 | E | A | -3.3966 | |
| 432 | T | A | -2.5461 | |
| 433 | E | A | -2.3881 | |
| 434 | L | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | R | A | -3.0655 | |
| 437 | E | A | -2.1886 | |
| 438 | Y | A | -1.0742 | |
| 439 | L | A | -0.7737 | |
| 440 | N | A | -2.0260 | |
| 441 | R | A | -2.2507 |
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