| Chain sequence(s) |
A: FRAPPVIPNVPFLWAWNAPSEDCLGKFDVPLDLSLFSFIGSPRINATGQGVTIFYKDRLGYYPYIDLKTGVSVNGGIPQKISLQKHLDKAKKDISFYMPVDNLGLAVIDWEEWRPTWARNWKPKDVYRNKSIELVQQQNVQLSLTEATKKAKEEFEKAGKDFLVETIKLGKSLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQMSPSAATLFVRNRVREAIRVSKIPDAKSPLPVFAYTRLVFTDEVLKFLSQDELVYTFGETVALGASGIVIWGSWENTRSKESCQRIKEYMDTTLNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPKNFEIVLEKGGKFTVRGKPTLEDLENFSEKFRCSCYSTLSCKEKVDVKDTDHVDVQTADGVKLHAL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:16)
[INFO] Main: Simulation completed successfully. (00:07:18)
|
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 | F | A | 0.4697 | |
| 2 | R | A | -0.0487 | |
| 3 | A | A | -0.1722 | |
| 4 | P | A | -0.0233 | |
| 5 | P | A | -0.1997 | |
| 6 | V | A | 0.3225 | |
| 7 | I | A | 0.1543 | |
| 8 | P | A | -0.5890 | |
| 9 | N | A | -1.5790 | |
| 10 | V | A | -0.4570 | |
| 11 | P | A | -0.5762 | |
| 12 | F | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | W | A | 0.0000 | |
| 15 | A | A | 0.0000 | |
| 16 | W | A | 0.0000 | |
| 17 | N | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | P | A | 0.0000 | |
| 20 | S | A | -0.6768 | |
| 21 | E | A | -1.6904 | |
| 22 | D | A | -2.0057 | |
| 23 | C | A | 0.0000 | |
| 24 | L | A | -0.4737 | |
| 25 | G | A | -1.4216 | |
| 26 | K | A | -2.6082 | |
| 27 | F | A | -2.3882 | |
| 28 | D | A | -2.0177 | |
| 29 | V | A | 0.0000 | |
| 30 | P | A | -0.4023 | |
| 31 | L | A | -0.5903 | |
| 32 | D | A | -0.5875 | |
| 33 | L | A | 0.1245 | |
| 34 | S | A | -0.2441 | |
| 35 | L | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | 0.1708 | |
| 38 | F | A | 0.0000 | |
| 39 | I | A | 0.7175 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | P | A | 0.0000 | |
| 43 | R | A | -0.1374 | |
| 44 | I | A | 0.4135 | |
| 45 | N | A | -0.5188 | |
| 46 | A | A | -0.3918 | |
| 47 | T | A | 0.0570 | |
| 48 | G | A | -0.2362 | |
| 49 | Q | A | -0.2048 | |
| 50 | G | A | -0.1319 | |
| 51 | V | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Y | A | -0.6381 | |
| 56 | K | A | -1.5842 | |
| 57 | D | A | -1.8178 | |
| 58 | R | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | Y | A | -0.6981 | |
| 62 | Y | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | Y | A | 0.2147 | |
| 65 | I | A | 0.0000 | |
| 66 | D | A | 0.2317 | |
| 67 | L | A | 0.3732 | |
| 68 | K | A | -1.0740 | |
| 69 | T | A | -0.2836 | |
| 70 | G | A | 0.2582 | |
| 71 | V | A | 1.3993 | |
| 72 | S | A | 0.7240 | |
| 73 | V | A | 0.4665 | |
| 74 | N | A | -0.2044 | |
| 75 | G | A | -0.4882 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | Q | A | -1.5520 | |
| 80 | K | A | -1.6645 | |
| 81 | I | A | -0.9971 | |
| 82 | S | A | -1.1119 | |
| 83 | L | A | -1.3217 | |
| 84 | Q | A | -2.1081 | |
| 85 | K | A | -2.3004 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | -2.1025 | |
| 88 | D | A | -3.0512 | |
| 89 | K | A | -2.5801 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -2.7131 | |
| 92 | K | A | -2.5408 | |
| 93 | D | A | -1.3837 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -0.2542 | |
| 96 | F | A | 0.9370 | |
| 97 | Y | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | P | A | 0.6393 | |
| 100 | V | A | 1.0424 | |
| 101 | D | A | -0.6446 | |
| 102 | N | A | -1.2767 | |
| 103 | L | A | -0.4365 | |
| 104 | G | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | D | A | -0.6342 | |
| 110 | W | A | 0.0000 | |
| 111 | E | A | -1.0241 | |
| 112 | E | A | -0.7204 | |
| 113 | W | A | 0.0000 | |
| 114 | R | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | -0.7991 | |
| 117 | W | A | 0.0000 | |
| 118 | A | A | -0.0881 | |
| 119 | R | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | W | A | -0.4043 | |
| 122 | K | A | -1.6665 | |
| 123 | P | A | -1.0480 | |
| 124 | K | A | -0.9982 | |
| 125 | D | A | -1.1983 | |
| 126 | V | A | -0.7705 | |
| 127 | Y | A | 0.0000 | |
| 128 | R | A | -1.2921 | |
| 129 | N | A | -1.7888 | |
| 130 | K | A | -1.5626 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | -1.6284 | |
| 133 | E | A | -1.4746 | |
| 134 | L | A | -1.4114 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -1.1401 | |
| 137 | Q | A | -1.7312 | |
| 138 | Q | A | -1.8051 | |
| 139 | N | A | -1.0919 | |
| 140 | V | A | 0.3564 | |
| 141 | Q | A | -0.6928 | |
| 142 | L | A | -0.3856 | |
| 143 | S | A | 0.2285 | |
| 144 | L | A | 0.7578 | |
| 145 | T | A | -0.4511 | |
| 146 | E | A | -1.7699 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -1.9468 | |
| 149 | K | A | -3.1917 | |
| 150 | K | A | -3.0771 | |
| 151 | A | A | 0.0000 | |
| 152 | K | A | -3.3304 | |
| 153 | E | A | -4.0274 | |
| 154 | E | A | -3.4455 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | -2.7645 | |
| 157 | K | A | -3.5232 | |
| 158 | A | A | -2.4819 | |
| 159 | G | A | 0.0000 | |
| 160 | K | A | -2.2719 | |
| 161 | D | A | -2.3812 | |
| 162 | F | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | -1.2415 | |
| 165 | E | A | -1.5840 | |
| 166 | T | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -1.3448 | |
| 169 | L | A | -1.0555 | |
| 170 | G | A | 0.0000 | |
| 171 | K | A | -1.1262 | |
| 172 | S | A | -0.8748 | |
| 173 | L | A | -0.4986 | |
| 174 | R | A | -0.8533 | |
| 175 | P | A | -1.3092 | |
| 176 | N | A | -1.5002 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.0827 | |
| 179 | W | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | Y | A | 0.0541 | |
| 183 | L | A | 0.0870 | |
| 184 | F | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | Y | A | -0.0205 | |
| 189 | N | A | 0.0000 | |
| 190 | H | A | -1.6302 | |
| 191 | H | A | -2.2416 | |
| 192 | Y | A | -2.2549 | |
| 193 | K | A | -3.1108 | |
| 194 | K | A | -3.1054 | |
| 195 | P | A | -1.8471 | |
| 196 | G | A | -1.5250 | |
| 197 | Y | A | -1.7682 | |
| 198 | N | A | -1.5588 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | -0.5143 | |
| 201 | C | A | 0.0776 | |
| 202 | F | A | 0.4767 | |
| 203 | N | A | -0.7002 | |
| 204 | V | A | 0.1173 | |
| 205 | E | A | 0.0000 | |
| 206 | I | A | -0.8420 | |
| 207 | K | A | -2.1516 | |
| 208 | R | A | -1.6457 | |
| 209 | N | A | 0.0000 | |
| 210 | D | A | -1.7428 | |
| 211 | D | A | -2.4813 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -0.9281 | |
| 214 | W | A | -0.8064 | |
| 215 | L | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | N | A | -1.4614 | |
| 218 | E | A | -1.0951 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | -0.3798 | |
| 221 | A | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | Y | A | 0.1270 | |
| 228 | L | A | 0.0000 | |
| 229 | N | A | -0.9878 | |
| 230 | T | A | -1.3773 | |
| 231 | Q | A | -1.7736 | |
| 232 | M | A | -1.1518 | |
| 233 | S | A | -0.7922 | |
| 234 | P | A | -0.7934 | |
| 235 | S | A | -0.4065 | |
| 236 | A | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | -0.4156 | |
| 239 | L | A | -0.2439 | |
| 240 | F | A | 0.0000 | |
| 241 | V | A | 0.0000 | |
| 242 | R | A | 0.0000 | |
| 243 | N | A | 0.0000 | |
| 244 | R | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | R | A | -0.6053 | |
| 247 | E | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | -0.4238 | |
| 250 | R | A | -0.7514 | |
| 251 | V | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -1.5092 | |
| 254 | I | A | -0.8345 | |
| 255 | P | A | -1.3758 | |
| 256 | D | A | -2.2126 | |
| 257 | A | A | -1.5561 | |
| 258 | K | A | -2.0241 | |
| 259 | S | A | -1.3729 | |
| 260 | P | A | 0.0000 | |
| 261 | L | A | -0.6063 | |
| 262 | P | A | -0.0274 | |
| 263 | V | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | Y | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | R | A | 0.0517 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | T | A | -0.9111 | |
| 273 | D | A | -2.0362 | |
| 274 | E | A | -1.4611 | |
| 275 | V | A | -0.2855 | |
| 276 | L | A | -0.3272 | |
| 277 | K | A | -0.9507 | |
| 278 | F | A | -0.4716 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -1.4402 | |
| 281 | Q | A | -2.1317 | |
| 282 | D | A | -2.4937 | |
| 283 | E | A | -1.5006 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | -0.8258 | |
| 286 | Y | A | -0.5236 | |
| 287 | T | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | E | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | S | A | 0.0367 | |
| 298 | G | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.0801 | |
| 303 | G | A | -0.0020 | |
| 304 | S | A | -0.2611 | |
| 305 | W | A | -0.5830 | |
| 306 | E | A | -1.0861 | |
| 307 | N | A | -1.2308 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -2.9798 | |
| 310 | S | A | -2.8835 | |
| 311 | K | A | -3.6479 | |
| 312 | E | A | -3.5276 | |
| 313 | S | A | -2.8594 | |
| 314 | C | A | 0.0000 | |
| 315 | Q | A | -3.1891 | |
| 316 | R | A | -3.1440 | |
| 317 | I | A | 0.0000 | |
| 318 | K | A | -2.3338 | |
| 319 | E | A | -2.8078 | |
| 320 | Y | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.3912 | |
| 323 | T | A | -0.8433 | |
| 324 | T | A | -0.7983 | |
| 325 | L | A | 0.0000 | |
| 326 | N | A | 0.0000 | |
| 327 | P | A | -0.2504 | |
| 328 | Y | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -0.4616 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | A | A | -0.0981 | |
| 337 | K | A | -1.1087 | |
| 338 | M | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | -1.8233 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -2.7252 | |
| 346 | E | A | -2.8396 | |
| 347 | Q | A | -1.9247 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | -0.4776 | |
| 350 | C | A | 0.0000 | |
| 351 | I | A | -0.6677 | |
| 352 | R | A | 0.0000 | |
| 353 | K | A | -3.1041 | |
| 354 | N | A | -2.3747 | |
| 355 | W | A | -1.0340 | |
| 356 | N | A | -1.2924 | |
| 357 | S | A | -1.1873 | |
| 358 | S | A | -0.6360 | |
| 359 | D | A | -0.9874 | |
| 360 | Y | A | -0.0911 | |
| 361 | L | A | 0.0000 | |
| 362 | H | A | -0.3895 | |
| 363 | L | A | 0.0000 | |
| 364 | N | A | -1.7982 | |
| 365 | P | A | -1.8137 | |
| 366 | K | A | -2.5812 | |
| 367 | N | A | -2.5456 | |
| 368 | F | A | 0.0000 | |
| 369 | E | A | -2.8130 | |
| 370 | I | A | -0.7434 | |
| 371 | V | A | -0.4947 | |
| 372 | L | A | -0.4913 | |
| 373 | E | A | -1.5239 | |
| 374 | K | A | -2.3236 | |
| 375 | G | A | -1.8443 | |
| 376 | G | A | -1.7040 | |
| 377 | K | A | -1.6113 | |
| 378 | F | A | 0.0000 | |
| 379 | T | A | -0.9428 | |
| 380 | V | A | -1.7742 | |
| 381 | R | A | -3.0988 | |
| 382 | G | A | -3.0148 | |
| 383 | K | A | -2.4978 | |
| 384 | P | A | 0.0000 | |
| 385 | T | A | -0.8068 | |
| 386 | L | A | -1.3120 | |
| 387 | E | A | -2.3833 | |
| 388 | D | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | E | A | -2.8008 | |
| 391 | N | A | -2.4152 | |
| 392 | F | A | 0.0000 | |
| 393 | S | A | -2.3768 | |
| 394 | E | A | -2.9014 | |
| 395 | K | A | -2.7515 | |
| 396 | F | A | 0.0000 | |
| 397 | R | A | -2.2994 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | C | A | -0.6819 | |
| 401 | Y | A | 0.0000 | |
| 402 | S | A | -0.3481 | |
| 403 | T | A | -0.0408 | |
| 404 | L | A | 0.3475 | |
| 405 | S | A | -0.2383 | |
| 406 | C | A | 0.0000 | |
| 407 | K | A | -2.2261 | |
| 408 | E | A | -2.1294 | |
| 409 | K | A | -1.4141 | |
| 410 | V | A | -0.3004 | |
| 411 | D | A | -1.8610 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -3.3300 | |
| 414 | D | A | -3.5429 | |
| 415 | T | A | -2.5155 | |
| 416 | D | A | -2.6321 | |
| 417 | H | A | -2.0496 | |
| 418 | V | A | 0.0000 | |
| 419 | D | A | -2.3778 | |
| 420 | V | A | 0.0000 | |
| 421 | Q | A | -2.1390 | |
| 422 | T | A | 0.0000 | |
| 423 | A | A | -0.6777 | |
| 424 | D | A | -0.8346 | |
| 425 | G | A | -1.0257 | |
| 426 | V | A | 0.0000 | |
| 427 | K | A | -2.6092 | |
| 428 | L | A | 0.0000 | |
| 429 | H | A | -2.4268 | |
| 430 | A | A | -1.2855 | |
| 431 | L | A | 0.0110 |
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