| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVVDGKVLVPKVSGWQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTAPVHEGADDRVAFSFDPKQTQLFIVGCEPPTGEHWDKAPPCPGLPEGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYVRSGPVGHPLPDAPPPSPLYVPPPPTSPYAVLPSYDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLSTPKENVYDPSNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:06)
|
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 | Y | A | 1.9473 | |
| 2 | L | A | 1.9750 | |
| 3 | P | A | 0.7061 | |
| 4 | P | A | 0.1177 | |
| 5 | T | A | 0.2029 | |
| 6 | T | A | 0.1551 | |
| 7 | P | A | 0.2696 | |
| 8 | V | A | 1.2561 | |
| 9 | A | A | 0.0628 | |
| 10 | K | A | -1.1119 | |
| 11 | V | A | -0.3235 | |
| 12 | Q | A | -1.4316 | |
| 13 | S | A | -1.5958 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.5568 | |
| 16 | E | A | -2.5091 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4458 | |
| 20 | P | A | 0.0450 | |
| 21 | T | A | 0.1029 | |
| 22 | S | A | -0.1789 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.0923 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2571 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.7583 | |
| 31 | R | A | -2.6897 | |
| 32 | L | A | -0.8238 | |
| 33 | L | A | 1.1066 | |
| 34 | T | A | 1.3879 | |
| 35 | V | A | 1.9397 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.2428 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6669 | |
| 40 | K | A | -1.8821 | |
| 41 | D | A | -0.7379 | |
| 42 | I | A | 1.3336 | |
| 43 | V | A | 2.2004 | |
| 44 | V | A | 1.4135 | |
| 45 | D | A | -1.0586 | |
| 46 | G | A | -0.6031 | |
| 47 | K | A | -0.2530 | |
| 48 | V | A | 2.1734 | |
| 49 | L | A | 2.5069 | |
| 50 | V | A | 1.4864 | |
| 51 | P | A | 0.3746 | |
| 52 | K | A | -0.6766 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | R | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.2357 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4585 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.3276 | |
| 70 | K | A | -1.8676 | |
| 71 | F | A | -0.9257 | |
| 72 | A | A | -0.5948 | |
| 73 | L | A | -0.9330 | |
| 74 | P | A | -1.2494 | |
| 75 | Q | A | -2.4786 | |
| 76 | K | A | -3.0914 | |
| 77 | D | A | -2.9839 | |
| 78 | F | A | -1.6432 | |
| 79 | Y | A | -1.9135 | |
| 80 | D | A | -2.7001 | |
| 81 | P | A | -2.3246 | |
| 82 | E | A | -3.0277 | |
| 83 | K | A | -3.3772 | |
| 84 | E | A | -2.4410 | |
| 85 | R | A | -1.2720 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.6173 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -1.0039 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3913 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.7479 | |
| 99 | G | A | -0.5621 | |
| 100 | P | A | -0.4200 | |
| 101 | L | A | -0.0215 | |
| 102 | G | A | -0.4885 | |
| 103 | K | A | -0.8561 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.4391 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1483 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4615 | |
| 110 | L | A | 0.3822 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -0.9773 | |
| 113 | K | A | -0.0422 | |
| 114 | L | A | -0.8092 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -0.8382 | |
| 117 | T | A | -0.6907 | |
| 118 | E | A | -1.9732 | |
| 119 | N | A | -1.8694 | |
| 120 | P | A | -1.1172 | |
| 121 | T | A | -0.6242 | |
| 122 | A | A | -0.5346 | |
| 123 | P | A | -0.2403 | |
| 124 | V | A | 0.1795 | |
| 125 | H | A | -1.6560 | |
| 126 | E | A | -2.5948 | |
| 127 | G | A | -2.0588 | |
| 128 | A | A | -1.5784 | |
| 129 | D | A | -2.3962 | |
| 130 | D | A | -1.8508 | |
| 131 | R | A | -1.0701 | |
| 132 | V | A | 0.5496 | |
| 133 | A | A | 0.5557 | |
| 134 | F | A | 0.3640 | |
| 135 | S | A | -0.0937 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.7732 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.1700 | |
| 140 | Q | A | -0.1497 | |
| 141 | T | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | E | A | -0.5468 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.1906 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 0.8803 | |
| 157 | D | A | -0.2272 | |
| 158 | K | A | -0.4596 | |
| 159 | A | A | 0.1928 | |
| 160 | P | A | -0.2377 | |
| 161 | P | A | 0.2742 | |
| 162 | C | A | 0.5328 | |
| 163 | P | A | 0.0119 | |
| 164 | G | A | -0.3100 | |
| 165 | L | A | 0.1560 | |
| 166 | P | A | -0.9071 | |
| 167 | E | A | -1.9186 | |
| 168 | G | A | -1.1856 | |
| 169 | A | A | -0.5488 | |
| 170 | C | A | 0.3756 | |
| 171 | P | A | 0.3178 | |
| 172 | P | A | 0.7247 | |
| 173 | I | A | 1.6214 | |
| 174 | Q | A | 0.7510 | |
| 175 | L | A | 1.2352 | |
| 176 | V | A | 0.6709 | |
| 177 | N | A | -0.3244 | |
| 178 | S | A | -0.0035 | |
| 179 | V | A | 0.3823 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.4632 | |
| 182 | D | A | 0.3190 | |
| 183 | G | A | -0.1284 | |
| 184 | D | A | -0.3875 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | -0.3832 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1158 | |
| 190 | F | A | 0.0881 | |
| 191 | G | A | -0.1701 | |
| 192 | N | A | -0.2019 | |
| 193 | M | A | -0.1994 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3921 | |
| 197 | E | A | -2.9372 | |
| 198 | L | A | -1.5479 | |
| 199 | Q | A | -2.5333 | |
| 200 | Q | A | -3.3166 | |
| 201 | D | A | -3.5419 | |
| 202 | R | A | -3.3189 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.1414 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3551 | |
| 211 | S | A | -1.8003 | |
| 212 | T | A | -1.2403 | |
| 213 | R | A | -1.6368 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1597 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3136 | |
| 220 | L | A | 0.5286 | |
| 221 | K | A | -1.2625 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9291 | |
| 224 | N | A | -1.6623 | |
| 225 | E | A | -1.2866 | |
| 226 | A | A | -0.6440 | |
| 227 | Y | A | -0.3914 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6876 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.0981 | |
| 234 | F | A | 0.1461 | |
| 235 | G | A | -0.7044 | |
| 236 | R | A | -2.1741 | |
| 237 | R | A | -2.5707 | |
| 238 | E | A | -1.5719 | |
| 239 | Q | A | 0.1412 | |
| 240 | V | A | 1.5087 | |
| 241 | Y | A | 0.9660 | |
| 242 | A | A | 0.0104 | |
| 243 | R | A | -1.3357 | |
| 244 | H | A | -0.9340 | |
| 245 | F | A | 0.0645 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -0.4069 | |
| 249 | S | A | -1.1879 | |
| 250 | G | A | -0.9295 | |
| 251 | P | A | -0.7579 | |
| 252 | V | A | -0.6454 | |
| 253 | G | A | -0.9374 | |
| 254 | H | A | -1.1590 | |
| 255 | P | A | -0.7282 | |
| 256 | L | A | 0.0233 | |
| 257 | P | A | -0.8453 | |
| 258 | D | A | -1.5097 | |
| 259 | A | A | 0.0000 | |
| 260 | P | A | -0.5132 | |
| 261 | P | A | -0.2035 | |
| 262 | P | A | 0.0260 | |
| 263 | S | A | 0.2585 | |
| 264 | P | A | 0.6903 | |
| 265 | L | A | 1.6472 | |
| 266 | Y | A | 1.4814 | |
| 267 | V | A | 1.6930 | |
| 268 | P | A | 0.9085 | |
| 269 | P | A | 0.7076 | |
| 270 | P | A | -0.1074 | |
| 271 | P | A | -0.0630 | |
| 272 | T | A | -0.1561 | |
| 273 | S | A | 0.3524 | |
| 274 | P | A | 0.7112 | |
| 275 | Y | A | 1.8243 | |
| 276 | A | A | 1.4102 | |
| 277 | V | A | 2.4158 | |
| 278 | L | A | 1.8815 | |
| 279 | P | A | 0.7416 | |
| 280 | S | A | 0.3337 | |
| 281 | Y | A | 0.4944 | |
| 282 | D | A | -0.1484 | |
| 283 | Y | A | 1.2509 | |
| 284 | F | A | 0.8931 | |
| 285 | G | A | 0.2694 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.5936 | |
| 291 | L | A | 1.5924 | |
| 292 | V | A | 0.5160 | |
| 293 | S | A | -0.1707 | |
| 294 | S | A | -0.8271 | |
| 295 | D | A | -1.8736 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.0541 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6737 | |
| 301 | R | A | -1.9134 | |
| 302 | P | A | -0.9840 | |
| 303 | F | A | -0.1345 | |
| 304 | W | A | -0.3354 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.1815 | |
| 307 | R | A | -2.9046 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.7505 | |
| 310 | G | A | -1.3652 | |
| 311 | N | A | -1.3573 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.8157 | |
| 319 | N | A | -0.8807 | |
| 320 | E | A | -1.0426 | |
| 321 | L | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | -0.4135 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.2523 | |
| 333 | N | A | 0.3647 | |
| 334 | F | A | 1.4138 | |
| 335 | T | A | 0.7999 | |
| 336 | I | A | 0.4846 | |
| 337 | S | A | -0.8508 | |
| 338 | Q | A | -1.5800 | |
| 339 | Q | A | -1.1017 | |
| 340 | L | A | 0.3493 | |
| 341 | S | A | -0.2646 | |
| 342 | T | A | -0.8636 | |
| 343 | P | A | -1.5838 | |
| 344 | K | A | -2.7948 | |
| 345 | E | A | -2.6145 | |
| 346 | N | A | -1.4483 | |
| 347 | V | A | 0.7264 | |
| 348 | Y | A | 1.0724 | |
| 349 | D | A | -0.3545 | |
| 350 | P | A | -0.8160 | |
| 351 | S | A | -0.5752 | |
| 352 | N | A | -0.9219 | |
| 353 | F | A | -0.8107 | |
| 354 | K | A | -1.7868 | |
| 355 | N | A | -1.5846 | |
| 356 | Y | A | 0.0775 | |
| 357 | L | A | 0.7770 | |
| 358 | R | A | 0.9755 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.1835 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.2072 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0449 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6862 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.2699 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.2835 | |
| 376 | L | A | -1.6757 | |
| 377 | D | A | -1.9526 | |
| 378 | P | A | -1.0252 | |
| 379 | G | A | -1.0018 | |
| 380 | V | A | -0.9124 | |
| 381 | L | A | -0.5144 | |
| 382 | A | A | -0.6402 | |
| 383 | H | A | -0.8141 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3706 | |
| 386 | T | A | -0.5528 | |
| 387 | M | A | -0.3211 | |
| 388 | N | A | -0.8681 | |
| 389 | P | A | -1.2430 | |
| 390 | T | A | -1.3675 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4776 | |
| 393 | E | A | -2.8399 | |
| 394 | N | A | -2.2160 | |
| 395 | W | A | -1.5117 | |
| 396 | N | A | -1.3092 | |
| 397 | L | A | -0.2283 | |
| 398 | G | A | 0.5818 | |
| 399 | F | A | 2.3765 | |
| 400 | V | A | 1.7660 | |
| 401 | P | A | 0.0432 | |
| 402 | P | A | -1.9092 | |
| 403 | K | A | -3.2756 | |
| 404 | E | A | -3.8236 | |
| 405 | R | A | -4.0583 | |
| 406 | E | A | -3.8010 | |
| 407 | D | A | -2.8313 | |
| 408 | P | A | -1.7420 | |
| 409 | Y | A | -0.9854 | |
| 410 | K | A | -2.1055 | |
| 411 | G | A | -0.6314 | |
| 412 | L | A | 0.6729 | |
| 413 | I | A | 1.6600 | |
| 414 | F | A | 0.7015 | |
| 415 | W | A | -0.3062 | |
| 416 | E | A | -1.6829 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9771 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0936 | |
| 421 | E | A | -2.7134 | |
| 422 | R | A | -2.2826 | |
| 423 | F | A | -1.2430 | |
| 424 | S | A | -1.4911 | |
| 425 | Q | A | -1.8537 | |
| 426 | D | A | -3.0924 | |
| 427 | L | A | 0.0000 | |
| 428 | D | A | -3.1858 | |
| 429 | Q | A | -2.8095 | |
| 430 | F | A | -1.6638 | |
| 431 | A | A | -1.1663 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.3973 | |
| 435 | K | A | -1.2862 | |
| 436 | F | A | -0.1675 | |
| 437 | L | A | 0.6821 | |
| 438 | Y | A | 0.5860 | |
| 439 | Q | A | -0.4382 |
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