| Chain sequence(s) |
A: PREDFRFCGQRNQTQQSTLHYDQSSEPHIFVWNTEETLTIRAPFLAAPDIPRFFPEPRGLYHFCLYWSRHTGRLHLRYGKHDYLLSSQASRLLCFQKQEQSLKQGAPLIATSVSSWQIPQNTSLPGAPSFIFSFHNAPHKVSHNASVDMCDLKKELQQLSRYLQHPQKAAKRPTAAFISQQLQSLESKLTSVSFLGDTLSFEEDRVNATVWKLPPTAGLEDLHIHSQKEEEQSEVQAYSLLLPRAVFQQTRGRRRDDAKRLLVVDFSSQALFQDKNSSQVLGEKVLGIVVQNTKVTNLSDPVVLTFQHQPQPKNVTLQCVFWVEDPASSSTGSWSSAGCETVSRDTQTSCLCNHL
C: SVPTKLEVVAATPTSLLISWDAPAVTVDHYVITYGETGGSPWSWQEFEVPGSKSTATISGLKPGVDYTITVYASSFDWTIFPNYYSSPISINYRT B: TYFAVLMVS input PDB |
| Selected Chain(s) | A,C,B |
| 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 all 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 (00:05:57)
[INFO] Main: Simulation completed successfully. (00:06:01)
|
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 | |
| 28 | P | A | -1.1905 | |
| 29 | R | A | -1.9696 | |
| 30 | E | A | 0.0000 | |
| 31 | D | A | 0.0000 | |
| 32 | F | A | 0.0000 | |
| 33 | R | A | -0.9127 | |
| 34 | F | A | 0.0000 | |
| 35 | C | A | -0.4223 | |
| 36 | G | A | 0.0000 | |
| 37 | Q | A | -0.1806 | |
| 38 | R | A | 0.0000 | |
| 39 | N | A | -1.4595 | |
| 40 | Q | A | 0.0000 | |
| 41 | T | A | -2.1268 | |
| 42 | Q | A | -3.2258 | |
| 43 | Q | A | -2.3661 | |
| 44 | S | A | 0.0000 | |
| 45 | T | A | -1.0084 | |
| 46 | L | A | 0.0000 | |
| 47 | H | A | -0.9316 | |
| 48 | Y | A | 0.0000 | |
| 49 | D | A | -1.1029 | |
| 50 | Q | A | -1.3442 | |
| 51 | S | A | -1.4081 | |
| 52 | S | A | -1.5024 | |
| 53 | E | A | -2.2084 | |
| 54 | P | A | -1.1331 | |
| 55 | H | A | -0.8869 | |
| 56 | I | A | 0.0000 | |
| 57 | F | A | -0.3365 | |
| 58 | V | A | 0.0000 | |
| 59 | W | A | -0.2768 | |
| 60 | N | A | 0.0000 | |
| 61 | T | A | -1.8385 | |
| 62 | E | A | -3.1754 | |
| 63 | E | A | -2.8836 | |
| 64 | T | A | -1.6481 | |
| 65 | L | A | 0.0000 | |
| 66 | T | A | -0.5698 | |
| 67 | I | A | 0.0000 | |
| 68 | R | A | -1.4528 | |
| 69 | A | A | 0.0000 | |
| 70 | P | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | L | A | 0.3768 | |
| 73 | A | A | -0.3315 | |
| 74 | A | A | -0.7722 | |
| 75 | P | A | -0.9084 | |
| 76 | D | A | -2.0208 | |
| 77 | I | A | -1.0222 | |
| 78 | P | A | -0.9687 | |
| 79 | R | A | -1.2974 | |
| 80 | F | A | 0.3557 | |
| 81 | F | A | 0.0000 | |
| 82 | P | A | -1.2904 | |
| 83 | E | A | -2.4792 | |
| 84 | P | A | -2.1759 | |
| 85 | R | A | -2.8232 | |
| 86 | G | A | -1.1936 | |
| 87 | L | A | 0.4412 | |
| 88 | Y | A | -0.4712 | |
| 89 | H | A | -1.1584 | |
| 90 | F | A | 0.0000 | |
| 91 | C | A | -0.9158 | |
| 92 | L | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | S | A | -1.2087 | |
| 96 | R | A | 0.0000 | |
| 97 | H | A | -1.6407 | |
| 98 | T | A | -1.1791 | |
| 99 | G | A | 0.0000 | |
| 100 | R | A | -1.9079 | |
| 101 | L | A | 0.0000 | |
| 102 | H | A | -1.0701 | |
| 103 | L | A | 0.0000 | |
| 104 | R | A | -2.9383 | |
| 105 | Y | A | 0.0000 | |
| 106 | G | A | -1.9765 | |
| 107 | K | A | -3.0136 | |
| 108 | H | A | -3.1371 | |
| 109 | D | A | -3.2321 | |
| 110 | Y | A | 0.0000 | |
| 111 | L | A | -0.8306 | |
| 112 | L | A | 0.0000 | |
| 113 | S | A | 0.0000 | |
| 114 | S | A | -1.0583 | |
| 115 | Q | A | -1.7023 | |
| 116 | A | A | 0.0000 | |
| 117 | S | A | -1.5700 | |
| 118 | R | A | -1.2766 | |
| 119 | L | A | -0.2885 | |
| 120 | L | A | 0.1076 | |
| 121 | C | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | Q | A | -0.2343 | |
| 124 | K | A | -0.7648 | |
| 125 | Q | A | -0.9585 | |
| 126 | E | A | -1.1922 | |
| 127 | Q | A | -1.2520 | |
| 128 | S | A | -0.3111 | |
| 129 | L | A | 0.4481 | |
| 130 | K | A | -0.9165 | |
| 131 | Q | A | -1.4168 | |
| 132 | G | A | -1.5567 | |
| 133 | A | A | -1.5068 | |
| 134 | P | A | -0.9389 | |
| 135 | L | A | 0.0000 | |
| 136 | I | A | 0.3835 | |
| 137 | A | A | 0.0901 | |
| 138 | T | A | 0.0000 | |
| 139 | S | A | -0.5639 | |
| 140 | V | A | 0.0000 | |
| 141 | S | A | -1.1140 | |
| 142 | S | A | 0.0000 | |
| 143 | W | A | -0.4128 | |
| 144 | Q | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | P | A | -1.3408 | |
| 147 | Q | A | -1.9541 | |
| 148 | N | A | -2.0153 | |
| 149 | T | A | -1.1082 | |
| 150 | S | A | -0.7056 | |
| 151 | L | A | -0.2641 | |
| 152 | P | A | -0.3536 | |
| 153 | G | A | -0.3951 | |
| 154 | A | A | -0.3202 | |
| 155 | P | A | -0.6767 | |
| 156 | S | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | I | A | -0.0926 | |
| 159 | F | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | F | A | 0.0455 | |
| 162 | H | A | 0.0000 | |
| 163 | N | A | -1.3983 | |
| 164 | A | A | 0.0000 | |
| 165 | P | A | -0.7265 | |
| 166 | H | A | -0.6480 | |
| 167 | K | A | -0.9180 | |
| 168 | V | A | 0.4873 | |
| 169 | S | A | -0.5205 | |
| 170 | H | A | -1.3170 | |
| 171 | N | A | -1.6826 | |
| 172 | A | A | -0.8747 | |
| 173 | S | A | -0.6399 | |
| 174 | V | A | -0.4194 | |
| 175 | D | A | -0.5240 | |
| 176 | M | A | 0.0000 | |
| 177 | C | A | -0.4442 | |
| 178 | D | A | -1.2944 | |
| 179 | L | A | 0.0000 | |
| 180 | K | A | -1.5047 | |
| 181 | K | A | -1.6533 | |
| 182 | E | A | -1.3886 | |
| 183 | L | A | 0.0000 | |
| 184 | Q | A | -2.3431 | |
| 185 | Q | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | R | A | -2.8810 | |
| 189 | Y | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | Q | A | -2.4513 | |
| 192 | H | A | -2.2489 | |
| 193 | P | A | -2.4758 | |
| 194 | Q | A | -2.8414 | |
| 195 | K | A | -3.2303 | |
| 196 | A | A | -2.2814 | |
| 197 | A | A | -1.6561 | |
| 198 | K | A | -2.9881 | |
| 199 | R | A | -3.0320 | |
| 200 | P | A | 0.0000 | |
| 201 | T | A | -0.7513 | |
| 202 | A | A | -0.5674 | |
| 203 | A | A | -0.3245 | |
| 204 | F | A | -0.2872 | |
| 205 | I | A | 0.0000 | |
| 206 | S | A | -0.9876 | |
| 207 | Q | A | -1.4637 | |
| 208 | Q | A | -1.0501 | |
| 209 | L | A | -0.9603 | |
| 210 | Q | A | -1.7620 | |
| 211 | S | A | -1.2379 | |
| 212 | L | A | 0.0000 | |
| 213 | E | A | -1.0912 | |
| 214 | S | A | -1.1348 | |
| 215 | K | A | -0.7925 | |
| 216 | L | A | 0.0000 | |
| 217 | T | A | -0.6670 | |
| 218 | S | A | -0.4901 | |
| 219 | V | A | 0.0000 | |
| 220 | S | A | 0.1104 | |
| 221 | F | A | -0.1611 | |
| 222 | L | A | -0.5596 | |
| 223 | G | A | -1.1022 | |
| 224 | D | A | -2.0534 | |
| 225 | T | A | -1.0800 | |
| 226 | L | A | -0.6164 | |
| 227 | S | A | -0.6828 | |
| 228 | F | A | 0.0000 | |
| 229 | E | A | -2.7551 | |
| 230 | E | A | -2.7880 | |
| 231 | D | A | -3.2819 | |
| 232 | R | A | -2.8057 | |
| 233 | V | A | 0.0000 | |
| 234 | N | A | -1.7447 | |
| 235 | A | A | 0.0000 | |
| 236 | T | A | -0.3956 | |
| 237 | V | A | 0.0000 | |
| 238 | W | A | -0.8189 | |
| 239 | K | A | -1.5189 | |
| 240 | L | A | 0.0000 | |
| 241 | P | A | -1.0185 | |
| 242 | P | A | -1.1594 | |
| 243 | T | A | -0.3815 | |
| 244 | A | A | -0.8577 | |
| 245 | G | A | -1.0700 | |
| 246 | L | A | -0.0743 | |
| 247 | E | A | -1.9760 | |
| 248 | D | A | -1.7375 | |
| 249 | L | A | -0.9196 | |
| 250 | H | A | -1.2948 | |
| 251 | I | A | 0.0000 | |
| 252 | H | A | -1.4844 | |
| 253 | S | A | -1.5548 | |
| 254 | Q | A | -2.6184 | |
| 255 | K | A | -3.1788 | |
| 256 | E | A | -4.1305 | |
| 257 | E | A | -4.7262 | |
| 258 | E | A | -4.2944 | |
| 259 | Q | A | -3.2550 | |
| 260 | S | A | -2.4374 | |
| 261 | E | A | -2.6785 | |
| 262 | V | A | 0.0000 | |
| 263 | Q | A | -3.2007 | |
| 264 | A | A | -2.0112 | |
| 265 | Y | A | 0.0000 | |
| 266 | S | A | -0.8498 | |
| 267 | L | A | 0.0000 | |
| 268 | L | A | -0.4626 | |
| 269 | L | A | 0.0000 | |
| 270 | P | A | 0.0000 | |
| 271 | R | A | -2.0107 | |
| 272 | A | A | -1.4645 | |
| 273 | V | A | 0.0000 | |
| 274 | F | A | 0.0000 | |
| 275 | Q | A | -2.3211 | |
| 276 | Q | A | -3.5792 | |
| 277 | T | A | -2.6910 | |
| 278 | R | A | -3.2620 | |
| 279 | G | A | -2.8449 | |
| 280 | R | A | -4.8002 | |
| 281 | R | A | -4.9853 | |
| 282 | R | A | -4.6432 | |
| 283 | D | A | -4.6797 | |
| 284 | D | A | -4.0245 | |
| 285 | A | A | -2.0054 | |
| 286 | K | A | -1.8859 | |
| 287 | R | A | -0.9109 | |
| 288 | L | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | D | A | -0.6992 | |
| 293 | F | A | 0.0000 | |
| 294 | S | A | -1.2649 | |
| 295 | S | A | 0.0000 | |
| 296 | Q | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | Q | A | -1.4244 | |
| 301 | D | A | -1.8827 | |
| 302 | K | A | -2.6232 | |
| 303 | N | A | -2.4972 | |
| 304 | S | A | -1.9586 | |
| 305 | S | A | -1.4369 | |
| 306 | Q | A | -1.5970 | |
| 307 | V | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | G | A | -1.3912 | |
| 310 | E | A | -1.6999 | |
| 311 | K | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | V | A | -0.4446 | |
| 317 | V | A | 0.0000 | |
| 318 | Q | A | -1.3045 | |
| 319 | N | A | -1.8707 | |
| 320 | T | A | -1.7149 | |
| 321 | K | A | -1.8975 | |
| 322 | V | A | -1.1299 | |
| 323 | T | A | -1.2578 | |
| 324 | N | A | -1.8293 | |
| 325 | L | A | 0.0000 | |
| 326 | S | A | -1.5442 | |
| 327 | D | A | -2.2057 | |
| 328 | P | A | -1.4750 | |
| 329 | V | A | 0.0000 | |
| 330 | V | A | -0.0503 | |
| 331 | L | A | 0.0000 | |
| 332 | T | A | -0.2166 | |
| 333 | F | A | 0.0000 | |
| 334 | Q | A | -2.0555 | |
| 335 | H | A | 0.0000 | |
| 336 | Q | A | -2.6966 | |
| 337 | P | A | -2.4497 | |
| 338 | Q | A | -2.5514 | |
| 339 | P | A | -2.5399 | |
| 340 | K | A | -2.7434 | |
| 341 | N | A | -2.2427 | |
| 342 | V | A | -1.0575 | |
| 343 | T | A | -0.7029 | |
| 344 | L | A | -0.4152 | |
| 345 | Q | A | -0.3952 | |
| 346 | C | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | F | A | 0.4401 | |
| 349 | W | A | 0.3314 | |
| 350 | V | A | -0.0348 | |
| 351 | E | A | -1.7684 | |
| 352 | D | A | -2.3992 | |
| 353 | P | A | -1.3829 | |
| 354 | A | A | -0.7875 | |
| 355 | S | A | -1.0433 | |
| 356 | S | A | -0.7700 | |
| 357 | S | A | -1.0302 | |
| 358 | T | A | -1.1113 | |
| 359 | G | A | 0.0000 | |
| 360 | S | A | -0.9333 | |
| 361 | W | A | -0.0111 | |
| 362 | S | A | 0.0727 | |
| 363 | S | A | -0.4175 | |
| 364 | A | A | -0.5353 | |
| 365 | G | A | -1.1730 | |
| 366 | C | A | -1.0503 | |
| 367 | E | A | -1.7444 | |
| 368 | T | A | -0.8372 | |
| 369 | V | A | -0.6390 | |
| 370 | S | A | -1.5997 | |
| 371 | R | A | -2.9346 | |
| 372 | D | A | -3.3039 | |
| 373 | T | A | -2.4077 | |
| 374 | Q | A | -2.0863 | |
| 375 | T | A | 0.0000 | |
| 376 | S | A | -0.5105 | |
| 377 | C | A | 0.0000 | |
| 378 | L | A | -0.3910 | |
| 379 | C | A | 0.0000 | |
| 380 | N | A | -1.6525 | |
| 381 | H | A | -1.2341 | |
| 382 | L | A | 0.0000 | |
| 383 | T | B | 0.0200 | |
| 384 | Y | B | 0.0000 | |
| 385 | F | B | 0.0000 | |
| 386 | A | B | 0.0000 | |
| 387 | V | B | 0.0000 | |
| 388 | L | B | -0.1285 | |
| 389 | M | B | -0.1755 | |
| 390 | V | B | 0.2108 | |
| 391 | S | B | -0.4033 | |
| 5 | S | C | -0.2951 | |
| 6 | V | C | 0.1313 | |
| 7 | P | C | 0.0000 | |
| 8 | T | C | -0.9995 | |
| 9 | K | C | -2.3165 | |
| 10 | L | C | -1.3725 | |
| 11 | E | C | -1.3929 | |
| 12 | V | C | 0.7824 | |
| 13 | V | C | 1.7293 | |
| 14 | A | C | 0.9911 | |
| 15 | A | C | 0.5218 | |
| 16 | T | C | -0.1820 | |
| 17 | P | C | -1.0438 | |
| 18 | T | C | -0.9996 | |
| 19 | S | C | -0.5234 | |
| 20 | L | C | 0.0000 | |
| 21 | L | C | 0.8199 | |
| 22 | I | C | 0.0000 | |
| 23 | S | C | -0.6189 | |
| 24 | W | C | 0.0000 | |
| 25 | D | C | -1.7850 | |
| 26 | A | C | -0.7408 | |
| 27 | P | C | -0.0127 | |
| 28 | A | C | 0.4344 | |
| 29 | V | C | 0.9206 | |
| 30 | T | C | 0.3177 | |
| 31 | V | C | -0.1680 | |
| 32 | D | C | -0.7329 | |
| 33 | H | C | -1.2228 | |
| 34 | Y | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | I | C | 0.0000 | |
| 37 | T | C | 0.0000 | |
| 38 | Y | C | -0.4298 | |
| 39 | G | C | 0.0000 | |
| 40 | E | C | -1.7257 | |
| 41 | T | C | -1.2577 | |
| 42 | G | C | -0.9555 | |
| 43 | G | C | -0.9131 | |
| 44 | S | C | -0.6875 | |
| 45 | P | C | -0.7716 | |
| 46 | W | C | 0.0000 | |
| 47 | S | C | -0.9610 | |
| 48 | W | C | -0.9108 | |
| 49 | Q | C | -1.3286 | |
| 50 | E | C | -0.9507 | |
| 51 | F | C | -0.6709 | |
| 52 | E | C | -1.7230 | |
| 53 | V | C | 0.0000 | |
| 54 | P | C | -1.4481 | |
| 55 | G | C | -1.3919 | |
| 56 | S | C | -1.2937 | |
| 57 | K | C | -1.9976 | |
| 58 | S | C | -1.1869 | |
| 59 | T | C | -0.5509 | |
| 60 | A | C | 0.0000 | |
| 61 | T | C | 0.0449 | |
| 62 | I | C | 0.0000 | |
| 63 | S | C | -0.6636 | |
| 64 | G | C | -1.0301 | |
| 65 | L | C | 0.0000 | |
| 66 | K | C | -2.4145 | |
| 67 | P | C | -1.7595 | |
| 68 | G | C | -1.5361 | |
| 69 | V | C | -1.6052 | |
| 70 | D | C | -2.2932 | |
| 71 | Y | C | 0.0000 | |
| 72 | T | C | -0.9962 | |
| 73 | I | C | 0.0000 | |
| 74 | T | C | 0.0000 | |
| 75 | V | C | 0.0000 | |
| 76 | Y | C | 0.0000 | |
| 77 | A | C | 0.0000 | |
| 78 | S | C | 0.0000 | |
| 79 | S | C | 0.0000 | |
| 80 | F | C | 0.4194 | |
| 81 | D | C | -0.5509 | |
| 82 | W | C | 0.0000 | |
| 83 | T | C | 0.0000 | |
| 84 | I | C | 0.2447 | |
| 85 | F | C | 0.0000 | |
| 86 | P | C | -0.1925 | |
| 87 | N | C | -0.7453 | |
| 88 | Y | C | -0.2268 | |
| 89 | Y | C | 0.0000 | |
| 90 | S | C | -0.0392 | |
| 91 | S | C | -0.2540 | |
| 92 | P | C | 0.0433 | |
| 93 | I | C | -0.1001 | |
| 94 | S | C | -0.5498 | |
| 95 | I | C | -0.5970 | |
| 96 | N | C | -1.6652 | |
| 97 | Y | C | -1.5713 | |
| 98 | R | C | -2.6483 | |
| 99 | T | C | -1.6659 |
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