| Chain sequence(s) |
A: MSLSNKLTLDKLDVKGKRVVMRVDFWVPMKNNQITNNQRIKAAVPDIKFCLDNGAKSVVLMSELGRPDGVPMPDKYSLEPVAVELKSLLGKDVLSLKDCVGPEVEKACANQAAGSVILLENLRFHVEEEGEGKDASGNKVKAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVNLPQKAGGFLMKKELNYFAKALESPERPFLAILGGAPVADKIQLINNGLDKVNEMIIGGPLAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASGIPAGWMGLDCGPESSKKYAEAVTRAKQIVEWGPVGVDEWEAFARGTKALMDEVVKATSRGCITIIHGQDTATCCAKWNTEDKVSHVSTGPQALLELLEGKVLPGVDALSNP
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 (00:07:17)
[INFO] Main: Simulation completed successfully. (00:07:19)
|
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 | 0.7665 | |
| 2 | S | A | -0.2966 | |
| 3 | L | A | 0.0000 | |
| 4 | S | A | -1.6280 | |
| 5 | N | A | -1.8397 | |
| 6 | K | A | -1.7285 | |
| 7 | L | A | 0.0000 | |
| 8 | T | A | -1.7178 | |
| 9 | L | A | 0.0000 | |
| 10 | D | A | -2.8319 | |
| 11 | K | A | -3.0306 | |
| 12 | L | A | 0.0000 | |
| 13 | D | A | -3.2949 | |
| 14 | V | A | 0.0000 | |
| 15 | K | A | -3.1467 | |
| 16 | G | A | -2.1741 | |
| 17 | K | A | -2.0538 | |
| 18 | R | A | -1.6276 | |
| 19 | V | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | M | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | D | A | -0.2426 | |
| 25 | F | A | 0.0000 | |
| 26 | W | A | 0.2366 | |
| 27 | V | A | 0.0000 | |
| 28 | P | A | -1.1014 | |
| 29 | M | A | -1.9037 | |
| 30 | K | A | -3.2475 | |
| 31 | N | A | -3.1908 | |
| 32 | N | A | -3.6521 | |
| 33 | Q | A | -2.7589 | |
| 34 | I | A | -1.5716 | |
| 35 | T | A | -1.6243 | |
| 36 | N | A | -2.0917 | |
| 37 | N | A | -1.6211 | |
| 38 | Q | A | -2.0553 | |
| 39 | R | A | -1.7295 | |
| 40 | I | A | 0.0000 | |
| 41 | K | A | -1.7082 | |
| 42 | A | A | -0.9420 | |
| 43 | A | A | 0.0000 | |
| 44 | V | A | -0.3029 | |
| 45 | P | A | -0.2451 | |
| 46 | D | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | K | A | -1.0174 | |
| 49 | F | A | -0.8911 | |
| 50 | C | A | 0.0000 | |
| 51 | L | A | -1.3830 | |
| 52 | D | A | -2.2772 | |
| 53 | N | A | -2.3074 | |
| 54 | G | A | -2.2134 | |
| 55 | A | A | 0.0000 | |
| 56 | K | A | -1.6472 | |
| 57 | S | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | V | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | M | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | E | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | G | A | -1.0197 | |
| 66 | R | A | -1.8829 | |
| 67 | P | A | 0.0000 | |
| 68 | D | A | -1.7905 | |
| 69 | G | A | -1.1760 | |
| 70 | V | A | -0.3789 | |
| 71 | P | A | -0.5284 | |
| 72 | M | A | -1.0574 | |
| 73 | P | A | -1.9076 | |
| 74 | D | A | -2.7499 | |
| 75 | K | A | -3.0026 | |
| 76 | Y | A | -1.7127 | |
| 77 | S | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | E | A | -1.7845 | |
| 80 | P | A | -0.7948 | |
| 81 | V | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | V | A | 0.6638 | |
| 84 | E | A | -0.3409 | |
| 85 | L | A | 0.0000 | |
| 86 | K | A | -1.3404 | |
| 87 | S | A | -0.7687 | |
| 88 | L | A | -0.3181 | |
| 89 | L | A | 0.0000 | |
| 90 | G | A | -1.5258 | |
| 91 | K | A | -2.1916 | |
| 92 | D | A | -2.2405 | |
| 93 | V | A | 0.0000 | |
| 94 | L | A | -0.0568 | |
| 95 | S | A | -0.5610 | |
| 96 | L | A | -1.2044 | |
| 97 | K | A | -2.3913 | |
| 98 | D | A | -1.8120 | |
| 99 | C | A | 0.0000 | |
| 100 | V | A | -0.9162 | |
| 101 | G | A | -1.2717 | |
| 102 | P | A | -1.7079 | |
| 103 | E | A | -2.8811 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -2.2760 | |
| 106 | K | A | -3.0012 | |
| 107 | A | A | -1.6377 | |
| 108 | C | A | 0.0000 | |
| 109 | A | A | -1.9035 | |
| 110 | N | A | -1.8362 | |
| 111 | Q | A | -1.2146 | |
| 112 | A | A | -0.4812 | |
| 113 | A | A | -0.5592 | |
| 114 | G | A | -1.0177 | |
| 115 | S | A | -0.6465 | |
| 116 | V | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | E | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | R | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | H | A | -0.5462 | |
| 126 | V | A | -1.3460 | |
| 127 | E | A | 0.0000 | |
| 128 | E | A | 0.0000 | |
| 129 | E | A | -1.3598 | |
| 130 | G | A | -1.7816 | |
| 131 | E | A | -2.8345 | |
| 132 | G | A | 0.0000 | |
| 133 | K | A | -2.8498 | |
| 134 | D | A | -2.2357 | |
| 135 | A | A | -1.0781 | |
| 136 | S | A | -1.2953 | |
| 137 | G | A | -1.8696 | |
| 138 | N | A | -2.6694 | |
| 139 | K | A | -3.3238 | |
| 140 | V | A | -2.5786 | |
| 141 | K | A | -3.0902 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -3.1142 | |
| 144 | P | A | -2.1928 | |
| 145 | A | A | -1.9546 | |
| 146 | K | A | -2.7283 | |
| 147 | I | A | -2.0542 | |
| 148 | E | A | -2.5858 | |
| 149 | A | A | -1.4279 | |
| 150 | F | A | 0.0000 | |
| 151 | R | A | -1.5079 | |
| 152 | A | A | -1.3998 | |
| 153 | S | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | -1.3931 | |
| 156 | K | A | -2.2918 | |
| 157 | L | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | D | A | -1.6637 | |
| 160 | V | A | 0.0000 | |
| 161 | Y | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | N | A | 0.0000 | |
| 164 | D | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | F | A | 0.0000 | |
| 167 | G | A | -0.3797 | |
| 168 | T | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | H | A | -1.0167 | |
| 171 | R | A | -1.4438 | |
| 172 | A | A | -0.7396 | |
| 173 | H | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | M | A | 0.0000 | |
| 177 | V | A | -0.2408 | |
| 178 | G | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | N | A | -1.6765 | |
| 181 | L | A | -1.2242 | |
| 182 | P | A | -0.9506 | |
| 183 | Q | A | -1.5701 | |
| 184 | K | A | -1.1129 | |
| 185 | A | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | F | A | -0.3229 | |
| 189 | L | A | -0.3831 | |
| 190 | M | A | 0.0000 | |
| 191 | K | A | -1.4601 | |
| 192 | K | A | -1.5578 | |
| 193 | E | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | N | A | -1.8814 | |
| 196 | Y | A | -0.8239 | |
| 197 | F | A | 0.0000 | |
| 198 | A | A | -1.3833 | |
| 199 | K | A | -1.4103 | |
| 200 | A | A | 0.0000 | |
| 201 | L | A | -0.9407 | |
| 202 | E | A | -1.6530 | |
| 203 | S | A | -1.4137 | |
| 204 | P | A | -1.4769 | |
| 205 | E | A | -1.7419 | |
| 206 | R | A | -2.1318 | |
| 207 | P | A | -1.6805 | |
| 208 | F | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | G | A | -0.1759 | |
| 215 | A | A | -0.3248 | |
| 216 | P | A | -0.7270 | |
| 217 | V | A | 0.0000 | |
| 218 | A | A | -1.4455 | |
| 219 | D | A | -1.8126 | |
| 220 | K | A | 0.0000 | |
| 221 | I | A | -0.7202 | |
| 222 | Q | A | -1.2058 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | N | A | -1.3302 | |
| 226 | N | A | -1.4257 | |
| 227 | G | A | -1.1836 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -2.6389 | |
| 230 | K | A | -1.8223 | |
| 231 | V | A | 0.0000 | |
| 232 | N | A | -1.5202 | |
| 233 | E | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | G | A | 0.0000 | |
| 239 | P | A | 0.2154 | |
| 240 | L | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | K | A | -1.6257 | |
| 247 | V | A | -1.0199 | |
| 248 | L | A | -0.8548 | |
| 249 | N | A | -1.9758 | |
| 250 | N | A | -2.3410 | |
| 251 | M | A | 0.0000 | |
| 252 | E | A | -2.5313 | |
| 253 | I | A | 0.0000 | |
| 254 | G | A | -0.6352 | |
| 255 | T | A | -0.1544 | |
| 256 | S | A | 0.0000 | |
| 257 | L | A | 0.6389 | |
| 258 | F | A | -0.0257 | |
| 259 | D | A | -1.6160 | |
| 260 | E | A | -2.8916 | |
| 261 | E | A | -3.0538 | |
| 262 | G | A | 0.0000 | |
| 263 | A | A | -2.2293 | |
| 264 | K | A | -2.9587 | |
| 265 | I | A | -1.8764 | |
| 266 | V | A | 0.0000 | |
| 267 | K | A | -2.5063 | |
| 268 | D | A | -2.9637 | |
| 269 | L | A | 0.0000 | |
| 270 | M | A | -1.9428 | |
| 271 | S | A | -2.4481 | |
| 272 | K | A | -2.7393 | |
| 273 | A | A | 0.0000 | |
| 274 | E | A | -3.4475 | |
| 275 | K | A | -3.2462 | |
| 276 | N | A | -2.8658 | |
| 277 | G | A | -2.4855 | |
| 278 | V | A | 0.0000 | |
| 279 | K | A | -1.7349 | |
| 280 | I | A | -0.6012 | |
| 281 | T | A | 0.0000 | |
| 282 | L | A | 0.1680 | |
| 283 | P | A | 0.0000 | |
| 284 | V | A | -0.0413 | |
| 285 | D | A | -0.6016 | |
| 286 | F | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | A | A | 0.0000 | |
| 290 | D | A | -1.4454 | |
| 291 | K | A | -1.5397 | |
| 292 | F | A | 0.2733 | |
| 293 | D | A | -1.5732 | |
| 294 | E | A | -3.1935 | |
| 295 | N | A | -2.8603 | |
| 296 | A | A | -2.2953 | |
| 297 | K | A | -2.4944 | |
| 298 | T | A | -1.7635 | |
| 299 | G | A | -1.1236 | |
| 300 | Q | A | -1.3558 | |
| 301 | A | A | 0.0000 | |
| 302 | T | A | -0.5300 | |
| 303 | V | A | -0.4261 | |
| 304 | A | A | -0.4427 | |
| 305 | S | A | -0.6126 | |
| 306 | G | A | -1.3494 | |
| 307 | I | A | 0.0000 | |
| 308 | P | A | -0.8064 | |
| 309 | A | A | -0.5557 | |
| 310 | G | A | -0.6983 | |
| 311 | W | A | -0.4605 | |
| 312 | M | A | 0.0943 | |
| 313 | G | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | D | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | P | A | -1.6351 | |
| 319 | E | A | -2.3816 | |
| 320 | S | A | 0.0000 | |
| 321 | S | A | -2.1563 | |
| 322 | K | A | -3.1931 | |
| 323 | K | A | -2.5256 | |
| 324 | Y | A | 0.0000 | |
| 325 | A | A | -2.3500 | |
| 326 | E | A | -2.8437 | |
| 327 | A | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | T | A | -1.9651 | |
| 330 | R | A | -1.8115 | |
| 331 | A | A | 0.0000 | |
| 332 | K | A | -2.1904 | |
| 333 | Q | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | E | A | 0.0000 | |
| 337 | W | A | -0.1435 | |
| 338 | G | A | 0.0000 | |
| 339 | P | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | V | A | -0.8021 | |
| 343 | D | A | 0.0000 | |
| 344 | E | A | -2.6420 | |
| 345 | W | A | -2.4521 | |
| 346 | E | A | -2.7604 | |
| 347 | A | A | -1.9233 | |
| 348 | F | A | 0.0000 | |
| 349 | A | A | -1.5480 | |
| 350 | R | A | -1.5181 | |
| 351 | G | A | 0.0000 | |
| 352 | T | A | 0.0000 | |
| 353 | K | A | -1.4063 | |
| 354 | A | A | -1.3551 | |
| 355 | L | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | D | A | -2.1165 | |
| 358 | E | A | -2.2885 | |
| 359 | V | A | 0.0000 | |
| 360 | V | A | -2.3385 | |
| 361 | K | A | -2.9209 | |
| 362 | A | A | 0.0000 | |
| 363 | T | A | -1.9577 | |
| 364 | S | A | -2.1032 | |
| 365 | R | A | -2.6474 | |
| 366 | G | A | -1.7879 | |
| 367 | C | A | 0.0000 | |
| 368 | I | A | -0.5555 | |
| 369 | T | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | H | A | 0.0000 | |
| 373 | G | A | 0.0000 | |
| 374 | Q | A | -1.7453 | |
| 375 | D | A | -1.7928 | |
| 376 | T | A | 0.0000 | |
| 377 | A | A | -1.1601 | |
| 378 | T | A | -1.6156 | |
| 379 | C | A | 0.0000 | |
| 380 | C | A | 0.0000 | |
| 381 | A | A | -1.7056 | |
| 382 | K | A | -1.9655 | |
| 383 | W | A | -1.4980 | |
| 384 | N | A | -2.5888 | |
| 385 | T | A | 0.0000 | |
| 386 | E | A | -3.4846 | |
| 387 | D | A | -3.5489 | |
| 388 | K | A | -3.4539 | |
| 389 | V | A | 0.0000 | |
| 390 | S | A | -0.8904 | |
| 391 | H | A | 0.0000 | |
| 392 | V | A | -0.7402 | |
| 393 | S | A | 0.0000 | |
| 394 | T | A | -0.3714 | |
| 395 | G | A | 0.0000 | |
| 396 | P | A | -0.6620 | |
| 397 | Q | A | -1.0670 | |
| 398 | A | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | L | A | -0.6343 | |
| 401 | E | A | -0.8467 | |
| 402 | L | A | 0.0000 | |
| 403 | L | A | -0.6838 | |
| 404 | E | A | -1.2523 | |
| 405 | G | A | -1.0960 | |
| 406 | K | A | -0.9695 | |
| 407 | V | A | 0.5945 | |
| 408 | L | A | 0.0000 | |
| 409 | P | A | -0.5492 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | D | A | -1.2136 | |
| 413 | A | A | -0.9865 | |
| 414 | L | A | 0.0000 | |
| 415 | S | A | -1.5007 | |
| 416 | N | A | -2.1609 | |
| 417 | P | A | -1.5818 |
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