| Chain sequence(s) |
A: MLGLPALNPEPALLPTSEYVTPTDLYCIAETDLLTETGHPEKDIVVDGKVVLKRVSAYDFDVYLLKLPDPNTFPLPSSDFIDKSTEILIWQLRALKIKKYGPLGTGTYGHPNFNRLGDVDNPTEPVHETEDDDVNLSWTPKRKQFYIVGCKPPTGKYTALADPCPGLPPGACPPTKLVTDTIEHGDRCDIGFGAKDFKALEPEKDNVPDIIRDTTCKVIDLEGMLADPYGDRLFDYDYYEKSKDVEKYVRDGPDLHPLPSAPPPSPLYVPPPPTSPTAVPEPTDYFTLPDQGEITEEDQLFNKPIWFTQTPGLNNAVCWHNSLYVTVLDNSRATIETIETKTSTPAPNVYDPSNYVTSKRYTRQYQLSFIFQLCRIPLTPEILELLARRDPSILVDAKLPFIPPVERADPLAGKKFKEIDLTNKLSTDLSKYELGREFLNR
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 | 1.8393 | |
| 2 | L | A | 2.1881 | |
| 3 | G | A | 1.2406 | |
| 4 | L | A | 2.0018 | |
| 5 | P | A | 0.7174 | |
| 6 | A | A | 0.2493 | |
| 7 | L | A | 0.8872 | |
| 8 | N | A | -1.1912 | |
| 9 | P | A | -1.4763 | |
| 10 | E | A | -2.1028 | |
| 11 | P | A | -1.0260 | |
| 12 | A | A | 0.0269 | |
| 13 | L | A | 0.7720 | |
| 14 | L | A | 0.8882 | |
| 15 | P | A | 0.0453 | |
| 16 | T | A | 0.0000 | |
| 17 | S | A | -1.1567 | |
| 18 | E | A | -1.7318 | |
| 19 | Y | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | T | A | -0.7115 | |
| 22 | P | A | -0.7445 | |
| 23 | T | A | -0.7422 | |
| 24 | D | A | -1.6365 | |
| 25 | L | A | -0.5021 | |
| 26 | Y | A | -0.1621 | |
| 27 | C | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | E | A | -0.8451 | |
| 31 | T | A | 0.0000 | |
| 32 | D | A | -1.3982 | |
| 33 | L | A | 0.1224 | |
| 34 | L | A | 0.0148 | |
| 35 | T | A | -0.1331 | |
| 36 | E | A | -0.5362 | |
| 37 | T | A | -0.7077 | |
| 38 | G | A | 0.0000 | |
| 39 | H | A | -2.0095 | |
| 40 | P | A | 0.0000 | |
| 41 | E | A | -1.9466 | |
| 42 | K | A | -2.7855 | |
| 43 | D | A | -1.6255 | |
| 44 | I | A | 0.7327 | |
| 45 | V | A | 1.8516 | |
| 46 | V | A | 1.5169 | |
| 47 | D | A | -1.0017 | |
| 48 | G | A | -0.6159 | |
| 49 | K | A | -0.3210 | |
| 50 | V | A | 1.4359 | |
| 51 | V | A | 2.0994 | |
| 52 | L | A | 0.3695 | |
| 53 | K | A | -1.6668 | |
| 54 | R | A | -2.1212 | |
| 55 | V | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | D | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | D | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | Y | A | 0.0000 | |
| 64 | L | A | -1.4020 | |
| 65 | L | A | 0.0000 | |
| 66 | K | A | -2.0803 | |
| 67 | L | A | 0.0000 | |
| 68 | P | A | 0.0000 | |
| 69 | D | A | -0.7456 | |
| 70 | P | A | 0.0000 | |
| 71 | N | A | -0.8581 | |
| 72 | T | A | -0.2033 | |
| 73 | F | A | -0.0099 | |
| 74 | P | A | -0.1906 | |
| 75 | L | A | 0.0145 | |
| 76 | P | A | -0.4365 | |
| 77 | S | A | -0.4363 | |
| 78 | S | A | -0.7532 | |
| 79 | D | A | -1.2301 | |
| 80 | F | A | 0.3157 | |
| 81 | I | A | -0.8679 | |
| 82 | D | A | -2.3629 | |
| 83 | K | A | -2.4757 | |
| 84 | S | A | -1.6466 | |
| 85 | T | A | -1.3201 | |
| 86 | E | A | -1.5473 | |
| 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 | -0.3502 | |
| 94 | A | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | K | A | 0.0000 | |
| 97 | I | A | 0.0000 | |
| 98 | K | A | -0.5796 | |
| 99 | K | A | 0.0000 | |
| 100 | Y | A | 0.2612 | |
| 101 | G | A | -0.2259 | |
| 102 | P | A | -0.1445 | |
| 103 | L | A | 0.0132 | |
| 104 | G | A | -0.1476 | |
| 105 | T | A | -0.2284 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | -0.1193 | |
| 108 | Y | A | 0.0000 | |
| 109 | G | A | -0.7396 | |
| 110 | H | A | 0.0000 | |
| 111 | P | A | -1.4605 | |
| 112 | N | A | -2.3237 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | R | A | -1.1500 | |
| 116 | L | A | -1.0018 | |
| 117 | G | A | -1.1309 | |
| 118 | D | A | -1.6516 | |
| 119 | V | A | -1.2982 | |
| 120 | D | A | -2.2960 | |
| 121 | N | A | -2.4833 | |
| 122 | P | A | -1.9260 | |
| 123 | T | A | -1.5618 | |
| 124 | E | A | -2.2155 | |
| 125 | P | A | -1.2159 | |
| 126 | V | A | -1.0606 | |
| 127 | H | A | -1.3411 | |
| 128 | E | A | -2.4610 | |
| 129 | T | A | -2.2596 | |
| 130 | E | A | -3.1863 | |
| 131 | D | A | -3.3766 | |
| 132 | D | A | -2.4777 | |
| 133 | D | A | -2.2158 | |
| 134 | V | A | -1.3075 | |
| 135 | N | A | -1.6936 | |
| 136 | L | A | -0.8651 | |
| 137 | S | A | -0.4698 | |
| 138 | W | A | 0.0000 | |
| 139 | T | A | -0.1486 | |
| 140 | P | A | 0.0000 | |
| 141 | K | A | 0.0000 | |
| 142 | R | 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 | V | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | K | A | -0.8925 | |
| 152 | P | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | T | A | -0.4127 | |
| 155 | G | A | 0.0000 | |
| 156 | K | A | 0.3968 | |
| 157 | Y | A | 0.2476 | |
| 158 | T | A | 0.2007 | |
| 159 | A | A | -0.2509 | |
| 160 | L | A | -0.0326 | |
| 161 | A | A | -0.8501 | |
| 162 | D | A | -1.8650 | |
| 163 | P | A | -0.5862 | |
| 164 | C | A | 0.1351 | |
| 165 | P | A | -0.1930 | |
| 166 | G | A | -0.0944 | |
| 167 | L | A | 0.5542 | |
| 168 | P | A | -0.1321 | |
| 169 | P | A | -0.3534 | |
| 170 | G | A | -0.1491 | |
| 171 | A | A | 0.4212 | |
| 172 | C | A | 0.8377 | |
| 173 | P | A | 0.1624 | |
| 174 | P | A | -0.3638 | |
| 175 | T | A | -0.4885 | |
| 176 | K | A | -0.8302 | |
| 177 | L | A | 0.8705 | |
| 178 | V | A | 0.4399 | |
| 179 | T | A | 0.0198 | |
| 180 | D | A | -0.4211 | |
| 181 | T | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | E | A | -1.2331 | |
| 184 | H | A | -1.2098 | |
| 185 | G | A | -0.7316 | |
| 186 | D | A | -0.6864 | |
| 187 | R | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | D | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | G | A | -0.6582 | |
| 192 | F | A | -0.0483 | |
| 193 | G | A | -0.1870 | |
| 194 | A | A | 0.1299 | |
| 195 | K | A | -0.4317 | |
| 196 | D | A | -1.0454 | |
| 197 | F | A | 0.0000 | |
| 198 | K | A | -2.7609 | |
| 199 | A | A | -1.1027 | |
| 200 | L | A | -0.8201 | |
| 201 | E | A | -1.8657 | |
| 202 | P | A | -2.0511 | |
| 203 | E | A | -2.6884 | |
| 204 | K | A | -2.7577 | |
| 205 | D | A | 0.0000 | |
| 206 | N | A | -1.3584 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | D | A | -1.4851 | |
| 210 | I | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | R | A | -2.2011 | |
| 213 | D | A | -2.3991 | |
| 214 | T | A | -1.3770 | |
| 215 | T | A | -0.9115 | |
| 216 | C | A | 0.0000 | |
| 217 | K | A | 0.0000 | |
| 218 | V | A | 0.9949 | |
| 219 | I | A | 0.4203 | |
| 220 | D | A | 0.0000 | |
| 221 | L | A | -0.2116 | |
| 222 | E | A | -1.4438 | |
| 223 | G | A | -0.8487 | |
| 224 | M | A | 0.0000 | |
| 225 | L | A | 0.1406 | |
| 226 | A | A | -0.2791 | |
| 227 | D | A | -0.4563 | |
| 228 | P | A | 0.1337 | |
| 229 | Y | A | 0.3393 | |
| 230 | G | A | 0.0000 | |
| 231 | D | A | 0.0000 | |
| 232 | R | A | -0.5989 | |
| 233 | L | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | D | A | -0.6320 | |
| 236 | Y | A | 0.0153 | |
| 237 | D | A | -0.2410 | |
| 238 | Y | A | 0.3354 | |
| 239 | Y | A | -0.3400 | |
| 240 | E | A | -1.3399 | |
| 241 | K | A | -2.1999 | |
| 242 | S | A | -2.4050 | |
| 243 | K | A | -3.0410 | |
| 244 | D | A | -2.6067 | |
| 245 | V | A | -1.0530 | |
| 246 | E | A | -1.8945 | |
| 247 | K | A | -1.9167 | |
| 248 | Y | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | R | A | 0.0000 | |
| 251 | D | A | -1.8496 | |
| 252 | G | A | -1.3642 | |
| 253 | P | A | -1.0060 | |
| 254 | D | A | -0.9674 | |
| 255 | L | A | 0.3736 | |
| 256 | H | A | -0.7163 | |
| 257 | P | A | -0.6252 | |
| 258 | L | A | 0.6341 | |
| 259 | P | A | 0.1726 | |
| 260 | S | A | 0.2219 | |
| 261 | A | A | 0.2732 | |
| 262 | P | A | -0.2429 | |
| 263 | P | A | 0.0574 | |
| 264 | P | A | 0.1154 | |
| 265 | S | A | 0.6254 | |
| 266 | P | A | 0.7622 | |
| 267 | L | A | 1.9981 | |
| 268 | Y | A | 1.8848 | |
| 269 | V | A | 2.0027 | |
| 270 | P | A | 0.9465 | |
| 271 | P | A | 0.3035 | |
| 272 | P | A | -0.2895 | |
| 273 | P | A | -0.2372 | |
| 274 | T | A | -0.1840 | |
| 275 | S | A | -0.1099 | |
| 276 | P | A | -0.1514 | |
| 277 | T | A | 0.0776 | |
| 278 | A | A | 0.4006 | |
| 279 | V | A | 1.2508 | |
| 280 | P | A | 0.3109 | |
| 281 | E | A | -0.9453 | |
| 282 | P | A | -1.0010 | |
| 283 | T | A | -0.8810 | |
| 284 | D | A | -1.4490 | |
| 285 | Y | A | 0.2503 | |
| 286 | F | A | -0.1613 | |
| 287 | T | A | -0.8496 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | D | A | -1.7831 | |
| 291 | Q | A | 0.0000 | |
| 292 | G | A | -1.8294 | |
| 293 | E | A | -2.1548 | |
| 294 | I | A | -1.4044 | |
| 295 | T | A | -1.8839 | |
| 296 | E | A | -2.7043 | |
| 297 | E | A | -2.8876 | |
| 298 | D | A | -2.1271 | |
| 299 | Q | A | 0.0000 | |
| 300 | L | A | -0.8626 | |
| 301 | F | A | 0.0000 | |
| 302 | N | A | -1.4794 | |
| 303 | K | A | -1.9785 | |
| 304 | P | A | -1.0400 | |
| 305 | I | A | -0.2659 | |
| 306 | W | A | -0.1381 | |
| 307 | F | A | 0.0000 | |
| 308 | T | A | -0.6787 | |
| 309 | Q | A | -1.4146 | |
| 310 | T | A | 0.0000 | |
| 311 | P | A | -0.4297 | |
| 312 | G | A | -0.2612 | |
| 313 | L | A | 0.0647 | |
| 314 | N | A | 0.0000 | |
| 315 | N | A | -0.8307 | |
| 316 | A | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | C | A | 0.0000 | |
| 319 | W | A | 0.0000 | |
| 320 | H | A | -0.6965 | |
| 321 | N | A | -0.7991 | |
| 322 | S | A | -0.8766 | |
| 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 | L | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | R | A | -0.0769 | |
| 333 | A | A | 0.0000 | |
| 334 | T | A | -0.4941 | |
| 335 | I | A | -0.8831 | |
| 336 | E | A | -1.9673 | |
| 337 | T | A | -1.2472 | |
| 338 | I | A | -0.3417 | |
| 339 | E | A | -1.4545 | |
| 340 | T | A | -0.9285 | |
| 341 | K | A | -1.7912 | |
| 342 | T | A | -0.8185 | |
| 343 | S | A | -0.7928 | |
| 344 | T | A | -0.6462 | |
| 345 | P | A | -0.7871 | |
| 346 | A | A | -0.6298 | |
| 347 | P | A | -0.3919 | |
| 348 | N | A | -0.3365 | |
| 349 | V | A | 1.4700 | |
| 350 | Y | A | 1.3433 | |
| 351 | D | A | -0.1449 | |
| 352 | P | A | -0.1407 | |
| 353 | S | A | -0.2990 | |
| 354 | N | A | -0.4204 | |
| 355 | Y | A | -0.0786 | |
| 356 | V | A | 0.9373 | |
| 357 | T | A | -0.0386 | |
| 358 | S | A | -0.6205 | |
| 359 | K | A | -1.6854 | |
| 360 | R | A | -1.3486 | |
| 361 | Y | A | 0.0000 | |
| 362 | T | A | -0.5531 | |
| 363 | R | A | 0.0000 | |
| 364 | Q | A | -0.0606 | |
| 365 | Y | A | 0.0000 | |
| 366 | Q | A | -0.3898 | |
| 367 | L | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | Q | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | C | A | 0.0000 | |
| 375 | R | A | -0.7732 | |
| 376 | I | A | 0.0000 | |
| 377 | P | A | -0.8233 | |
| 378 | L | A | -0.7259 | |
| 379 | T | A | -0.8505 | |
| 380 | P | A | -1.4274 | |
| 381 | E | A | -2.3085 | |
| 382 | I | A | -1.1771 | |
| 383 | L | A | -1.3643 | |
| 384 | E | A | -2.6421 | |
| 385 | L | A | -1.4441 | |
| 386 | L | A | 0.0000 | |
| 387 | A | A | -1.6071 | |
| 388 | R | A | -2.0457 | |
| 389 | R | A | -1.1191 | |
| 390 | D | A | -0.9229 | |
| 391 | P | A | -1.0000 | |
| 392 | S | A | -0.6706 | |
| 393 | I | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | V | A | -0.6148 | |
| 396 | D | A | -1.2614 | |
| 397 | A | A | -1.0793 | |
| 398 | K | A | -1.3780 | |
| 399 | L | A | 0.0000 | |
| 400 | P | A | 0.2707 | |
| 401 | F | A | 1.6467 | |
| 402 | I | A | 0.9544 | |
| 403 | P | A | 0.3138 | |
| 404 | P | A | -0.1287 | |
| 405 | V | A | 0.2788 | |
| 406 | E | A | -1.7489 | |
| 407 | R | A | -1.9674 | |
| 408 | A | A | -1.4824 | |
| 409 | D | A | -2.1550 | |
| 410 | P | A | -1.1358 | |
| 411 | L | A | -0.9619 | |
| 412 | A | A | -1.0646 | |
| 413 | G | A | -1.2930 | |
| 414 | K | A | -1.7752 | |
| 415 | K | A | -2.4263 | |
| 416 | F | A | -1.5544 | |
| 417 | K | A | -1.7126 | |
| 418 | E | A | -2.7177 | |
| 419 | I | A | 0.0000 | |
| 420 | D | A | -2.9093 | |
| 421 | L | A | 0.0000 | |
| 422 | T | A | -1.5743 | |
| 423 | N | A | -1.8142 | |
| 424 | K | A | -1.6405 | |
| 425 | L | A | -0.5666 | |
| 426 | S | A | -0.6886 | |
| 427 | T | A | -0.4595 | |
| 428 | D | A | -1.2438 | |
| 429 | L | A | 0.0000 | |
| 430 | S | A | -1.6156 | |
| 431 | K | A | -2.2606 | |
| 432 | Y | A | -1.5252 | |
| 433 | E | A | -1.6020 | |
| 434 | L | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | R | A | -2.1561 | |
| 437 | E | A | -1.6055 | |
| 438 | F | A | -0.7490 | |
| 439 | L | A | -0.1647 | |
| 440 | N | A | -1.8704 | |
| 441 | R | A | -2.1721 |
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