| Chain sequence(s) |
A: MSLSNKLTLDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDNGAKSVVLMSHLGRPDGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCVGPEVEKACANPAAGSVILLENLRFHVEEEGKGKDASGNKVKAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVNLPQKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASGIPAGWMGLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVVKATSRGCITIIGGGDTATCCAKWNTEDKVSHVSTGGGASLELLEGKVLPGVDALSNI
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 (00:07:06)
[INFO] Main: Simulation completed successfully. (00:07:09)
|
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 | 0.4916 | |
| 2 | S | A | -0.4260 | |
| 3 | L | A | 0.0000 | |
| 4 | S | A | -0.7640 | |
| 5 | N | A | -0.2576 | |
| 6 | K | A | 0.0000 | |
| 7 | L | A | 0.0000 | |
| 8 | T | A | -1.2502 | |
| 9 | L | A | 0.0000 | |
| 10 | D | A | -2.9280 | |
| 11 | K | A | -2.7418 | |
| 12 | L | A | 0.0000 | |
| 13 | D | A | -3.3213 | |
| 14 | V | A | 0.0000 | |
| 15 | K | A | -3.1757 | |
| 16 | G | A | -2.1546 | |
| 17 | K | A | -2.0099 | |
| 18 | R | A | -1.5891 | |
| 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 | -0.4564 | |
| 25 | F | A | 0.0000 | |
| 26 | N | A | -0.8183 | |
| 27 | V | A | 0.0000 | |
| 28 | P | A | -1.3363 | |
| 29 | M | A | -2.0926 | |
| 30 | K | A | -3.2914 | |
| 31 | N | A | -3.2229 | |
| 32 | N | A | -3.7266 | |
| 33 | Q | A | -2.8217 | |
| 34 | I | A | -1.6990 | |
| 35 | T | A | -1.6930 | |
| 36 | N | A | -2.1096 | |
| 37 | N | A | -1.7098 | |
| 38 | Q | A | -1.9938 | |
| 39 | R | A | -1.7629 | |
| 40 | I | A | 0.0000 | |
| 41 | K | A | -1.6690 | |
| 42 | A | A | -0.8889 | |
| 43 | A | A | 0.0000 | |
| 44 | V | A | -0.2391 | |
| 45 | P | A | -0.1937 | |
| 46 | S | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | K | A | -0.9847 | |
| 49 | F | A | -0.9446 | |
| 50 | C | A | 0.0000 | |
| 51 | L | A | -1.4240 | |
| 52 | D | A | -2.3647 | |
| 53 | N | A | -2.7064 | |
| 54 | G | A | -2.2417 | |
| 55 | A | A | 0.0000 | |
| 56 | K | A | -1.6081 | |
| 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 | H | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | G | A | -1.3134 | |
| 66 | R | A | -1.9135 | |
| 67 | P | A | 0.0000 | |
| 68 | D | A | -1.6464 | |
| 69 | G | A | -1.1067 | |
| 70 | V | A | -0.2918 | |
| 71 | P | A | -0.4955 | |
| 72 | M | A | -1.0178 | |
| 73 | P | A | -1.8224 | |
| 74 | D | A | -2.7567 | |
| 75 | K | A | -3.0422 | |
| 76 | Y | A | -1.8428 | |
| 77 | S | A | -1.9419 | |
| 78 | L | A | 0.0000 | |
| 79 | E | A | -1.6881 | |
| 80 | P | A | -0.8031 | |
| 81 | V | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | V | A | 0.6574 | |
| 84 | E | A | -0.4626 | |
| 85 | L | A | 0.0000 | |
| 86 | K | A | -1.5535 | |
| 87 | S | A | -0.8878 | |
| 88 | L | A | -0.3980 | |
| 89 | L | A | 0.0000 | |
| 90 | G | A | -1.6014 | |
| 91 | K | A | -2.2576 | |
| 92 | D | A | -2.2188 | |
| 93 | V | A | 0.0000 | |
| 94 | L | A | 0.5091 | |
| 95 | F | A | -0.0538 | |
| 96 | L | A | -0.9768 | |
| 97 | K | A | -2.3977 | |
| 98 | D | A | -1.7950 | |
| 99 | C | A | 0.0000 | |
| 100 | V | A | -0.9553 | |
| 101 | G | A | -1.2722 | |
| 102 | P | A | -1.7019 | |
| 103 | E | A | -2.8809 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -2.2675 | |
| 106 | K | A | -2.9525 | |
| 107 | A | A | -1.5150 | |
| 108 | C | A | 0.0000 | |
| 109 | A | A | -1.8548 | |
| 110 | N | A | -1.6915 | |
| 111 | P | A | -0.9554 | |
| 112 | A | A | -0.3539 | |
| 113 | A | A | -0.4859 | |
| 114 | G | A | -0.9861 | |
| 115 | S | A | -0.5353 | |
| 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 | -0.5487 | |
| 126 | V | A | -1.2631 | |
| 127 | E | A | 0.0000 | |
| 128 | E | A | 0.0000 | |
| 129 | E | A | -1.3272 | |
| 130 | G | A | -1.7084 | |
| 131 | K | A | -2.8391 | |
| 132 | G | A | 0.0000 | |
| 133 | K | A | -2.7426 | |
| 134 | D | A | -2.2014 | |
| 135 | A | A | -1.0568 | |
| 136 | S | A | -1.3060 | |
| 137 | G | A | -1.8650 | |
| 138 | N | A | -2.6710 | |
| 139 | K | A | -3.3177 | |
| 140 | V | A | -2.5454 | |
| 141 | K | A | -2.9872 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -2.5130 | |
| 144 | P | A | -1.9030 | |
| 145 | A | A | -1.8062 | |
| 146 | K | A | -2.5743 | |
| 147 | I | A | -1.9958 | |
| 148 | E | A | -2.6082 | |
| 149 | A | A | -1.4968 | |
| 150 | F | A | 0.0000 | |
| 151 | R | A | -1.6944 | |
| 152 | A | A | -1.5073 | |
| 153 | S | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | -1.4505 | |
| 156 | K | A | -2.3067 | |
| 157 | L | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | D | A | -1.5995 | |
| 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 | -0.4119 | |
| 168 | T | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | H | A | -0.8415 | |
| 171 | R | A | -1.1144 | |
| 172 | A | A | -0.5716 | |
| 173 | H | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | M | A | 0.0000 | |
| 177 | V | A | -0.0153 | |
| 178 | G | A | -0.4613 | |
| 179 | V | A | 0.0000 | |
| 180 | N | A | -1.6830 | |
| 181 | L | A | -1.2184 | |
| 182 | P | A | -0.9488 | |
| 183 | Q | A | -1.5319 | |
| 184 | K | A | -1.0349 | |
| 185 | A | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | F | A | -0.2679 | |
| 189 | L | A | -0.2101 | |
| 190 | M | A | 0.0000 | |
| 191 | K | A | -1.2511 | |
| 192 | K | A | -1.2772 | |
| 193 | E | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | N | A | -1.4652 | |
| 196 | Y | A | -0.7247 | |
| 197 | F | A | 0.0000 | |
| 198 | A | A | -1.1041 | |
| 199 | K | A | -1.6562 | |
| 200 | A | A | 0.0000 | |
| 201 | L | A | -1.0528 | |
| 202 | E | A | -1.4741 | |
| 203 | S | A | -1.5865 | |
| 204 | P | A | -1.8969 | |
| 205 | E | A | -2.6329 | |
| 206 | R | A | -2.6328 | |
| 207 | P | A | -2.0237 | |
| 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 | -0.7154 | |
| 215 | A | A | -0.6213 | |
| 216 | K | A | -1.7409 | |
| 217 | V | A | 0.0000 | |
| 218 | A | A | -1.7864 | |
| 219 | D | A | -2.1622 | |
| 220 | K | A | -1.3257 | |
| 221 | I | A | -0.6572 | |
| 222 | Q | A | -1.3905 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | N | A | -1.4941 | |
| 226 | N | A | -1.4784 | |
| 227 | M | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -2.5205 | |
| 230 | K | A | -1.6120 | |
| 231 | V | A | 0.0000 | |
| 232 | N | A | -1.5186 | |
| 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 | -0.1305 | |
| 239 | G | A | -0.0836 | |
| 240 | M | 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 | -1.5956 | |
| 247 | V | A | -1.0382 | |
| 248 | L | A | -0.7851 | |
| 249 | N | A | -1.9279 | |
| 250 | N | A | -2.3181 | |
| 251 | M | A | 0.0000 | |
| 252 | E | A | -2.5250 | |
| 253 | I | A | 0.0000 | |
| 254 | G | A | -0.7118 | |
| 255 | T | A | -0.2614 | |
| 256 | S | A | 0.0000 | |
| 257 | L | A | 0.2458 | |
| 258 | F | A | -0.3772 | |
| 259 | D | A | -1.9304 | |
| 260 | E | A | -3.0296 | |
| 261 | E | A | -3.2207 | |
| 262 | G | A | 0.0000 | |
| 263 | A | A | -2.2886 | |
| 264 | K | A | -3.0161 | |
| 265 | I | A | -1.9285 | |
| 266 | V | A | 0.0000 | |
| 267 | K | A | -2.6481 | |
| 268 | D | A | -3.0591 | |
| 269 | L | A | 0.0000 | |
| 270 | M | A | -2.0224 | |
| 271 | S | A | -2.5023 | |
| 272 | K | A | -2.7530 | |
| 273 | A | A | 0.0000 | |
| 274 | E | A | -3.4585 | |
| 275 | K | A | -3.2259 | |
| 276 | N | A | -2.8192 | |
| 277 | G | A | -2.5026 | |
| 278 | V | A | 0.0000 | |
| 279 | K | A | -1.8550 | |
| 280 | I | A | -0.6861 | |
| 281 | T | A | 0.0000 | |
| 282 | L | A | 0.1668 | |
| 283 | P | A | 0.0000 | |
| 284 | V | A | 0.1586 | |
| 285 | D | A | 0.0000 | |
| 286 | F | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | A | A | 0.0000 | |
| 290 | D | A | -1.5114 | |
| 291 | K | A | -1.6187 | |
| 292 | F | A | 0.2557 | |
| 293 | D | A | -1.5450 | |
| 294 | E | A | -3.1393 | |
| 295 | N | A | -2.8422 | |
| 296 | A | A | -2.2929 | |
| 297 | K | A | -2.4975 | |
| 298 | T | A | -1.7683 | |
| 299 | G | A | -1.1459 | |
| 300 | Q | A | -1.3294 | |
| 301 | A | A | 0.0000 | |
| 302 | T | A | -0.4301 | |
| 303 | V | A | -0.3954 | |
| 304 | A | A | -0.4190 | |
| 305 | S | A | -0.6042 | |
| 306 | G | A | -1.2045 | |
| 307 | I | A | 0.0000 | |
| 308 | P | A | -0.8266 | |
| 309 | A | A | -0.5850 | |
| 310 | G | A | -0.7748 | |
| 311 | W | A | -0.5213 | |
| 312 | M | A | 0.0108 | |
| 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 | -1.7203 | |
| 319 | E | A | -2.3261 | |
| 320 | S | A | 0.0000 | |
| 321 | S | A | -2.2484 | |
| 322 | K | A | -3.2150 | |
| 323 | K | A | -2.5520 | |
| 324 | Y | A | 0.0000 | |
| 325 | A | A | -2.3813 | |
| 326 | E | A | -2.9286 | |
| 327 | A | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | T | A | -2.1214 | |
| 330 | R | A | -2.1903 | |
| 331 | A | A | 0.0000 | |
| 332 | K | A | -2.6749 | |
| 333 | Q | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | W | A | 0.0000 | |
| 337 | N | A | 0.0000 | |
| 338 | G | A | 0.0000 | |
| 339 | P | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | G | A | -0.5894 | |
| 342 | V | A | -0.9134 | |
| 343 | F | A | 0.0000 | |
| 344 | E | A | -2.6242 | |
| 345 | W | A | -2.5574 | |
| 346 | E | A | -3.0096 | |
| 347 | A | A | -2.1443 | |
| 348 | F | A | 0.0000 | |
| 349 | A | A | -1.9964 | |
| 350 | R | A | -2.3967 | |
| 351 | G | A | 0.0000 | |
| 352 | T | A | 0.0000 | |
| 353 | K | A | -1.8822 | |
| 354 | A | A | -1.5390 | |
| 355 | L | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | D | A | -2.0487 | |
| 358 | E | A | -2.1880 | |
| 359 | V | A | 0.0000 | |
| 360 | V | A | -2.2620 | |
| 361 | K | A | -2.8334 | |
| 362 | A | A | 0.0000 | |
| 363 | T | A | -1.8703 | |
| 364 | S | A | -1.9644 | |
| 365 | R | A | -2.4447 | |
| 366 | G | A | -1.7063 | |
| 367 | C | A | 0.0000 | |
| 368 | I | A | -0.6854 | |
| 369 | T | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | G | A | 0.0000 | |
| 373 | G | A | -0.5961 | |
| 374 | G | A | -0.9971 | |
| 375 | D | A | -1.3870 | |
| 376 | T | A | 0.0000 | |
| 377 | A | A | -0.9004 | |
| 378 | T | A | -1.3301 | |
| 379 | C | A | 0.0000 | |
| 380 | C | A | 0.0000 | |
| 381 | A | A | -1.6343 | |
| 382 | K | A | -1.9559 | |
| 383 | W | A | -1.4781 | |
| 384 | N | A | -2.5460 | |
| 385 | T | A | 0.0000 | |
| 386 | E | A | -3.3487 | |
| 387 | D | A | -3.4511 | |
| 388 | K | A | -3.3373 | |
| 389 | V | A | 0.0000 | |
| 390 | S | A | -0.8410 | |
| 391 | H | A | 0.0000 | |
| 392 | V | A | -0.7015 | |
| 393 | S | A | 0.0000 | |
| 394 | T | A | -0.2662 | |
| 395 | G | A | 0.0000 | |
| 396 | G | A | -0.6241 | |
| 397 | G | A | -0.6175 | |
| 398 | A | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | L | A | -0.4966 | |
| 401 | E | A | -0.7385 | |
| 402 | L | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | E | A | -0.9226 | |
| 405 | G | A | -0.8120 | |
| 406 | K | A | -0.5964 | |
| 407 | V | A | 0.8114 | |
| 408 | L | A | 0.0000 | |
| 409 | P | A | -0.4796 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | D | A | -1.3459 | |
| 413 | A | A | -1.0030 | |
| 414 | L | A | 0.0000 | |
| 415 | S | A | -0.8588 | |
| 416 | N | A | -0.8597 | |
| 417 | I | A | 1.0225 |
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