| Chain sequence(s) |
A: AVAPAHDTPPVPDVDSRGAILRRQYNLSTSPLTSSVATGTNLVLYAAPLSPLLPLQDGTNTHIMATEASNYAQYRVARATIRYRPLVPNAVGGYAISISFWPQTTTTPTSVDMNSITSTDVRILVQPGIASELVIPSERLHYRNQGWRSVETSGVAEEEATSGLVMLCIHGSPVNSYTNTPYTGALGLLDFALELEFRNLTPGNTNTRVSRYSSTARHRLRRGADGTAELTTTAATRFMKDLYFTSTNGVGEIGRGIALTLFNLADTLLGGLPTELISSAGGQLFYSRPVVSANGEPTVKLYTSVENAQQDKGIAIPHDIDLGESRVVIQDYDNQHEQDRPTPSPAPSRPFSVLRANDVLWLSLTAAEYDQSTYGSSTGPVYVSDSVTLVNVATGAQAVARSLDWTKVTLDGRPLSTIQQYSKTFFVLPLRGKLSFWEAGTTKAGYPYNYNTTASDQLLVENAAGHRVAISTYTTSLGAGPVSISAVAVLAPHSVLA
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 (00:02:59)
[INFO] Main: Simulation completed successfully. (00:03:02)
|
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 | A | A | 0.8995 | |
| 2 | V | A | 1.7406 | |
| 3 | A | A | 0.6897 | |
| 4 | P | A | -0.2900 | |
| 5 | A | A | -0.9050 | |
| 6 | H | A | -1.9364 | |
| 7 | D | A | -2.4058 | |
| 8 | T | A | -1.2474 | |
| 9 | P | A | -0.6549 | |
| 10 | P | A | 0.1369 | |
| 11 | V | A | 1.0463 | |
| 12 | P | A | -0.2302 | |
| 13 | D | A | -1.1186 | |
| 14 | V | A | -0.0876 | |
| 15 | D | A | -1.6756 | |
| 16 | S | A | -1.6640 | |
| 17 | R | A | -2.1996 | |
| 18 | G | A | -1.4127 | |
| 19 | A | A | -1.0525 | |
| 20 | I | A | 0.4084 | |
| 21 | L | A | -0.3961 | |
| 22 | R | A | -2.2346 | |
| 23 | R | A | -2.5485 | |
| 24 | Q | A | -2.6808 | |
| 25 | Y | A | 0.0000 | |
| 26 | N | A | -1.3291 | |
| 27 | L | A | -0.5240 | |
| 28 | S | A | -0.6049 | |
| 29 | T | A | 0.0000 | |
| 30 | S | A | -0.8921 | |
| 31 | P | A | -0.5344 | |
| 32 | L | A | 0.0000 | |
| 33 | T | A | -0.1158 | |
| 34 | S | A | 0.0000 | |
| 35 | S | A | -0.4257 | |
| 36 | V | A | 0.0000 | |
| 37 | A | A | -0.1332 | |
| 38 | T | A | -0.6100 | |
| 39 | G | A | 0.0000 | |
| 40 | T | A | -0.5333 | |
| 41 | N | A | -0.6621 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | Y | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | P | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | P | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | Q | A | -1.8802 | |
| 57 | D | A | -2.0101 | |
| 58 | G | A | -1.0858 | |
| 59 | T | A | -0.9947 | |
| 60 | N | A | -1.3081 | |
| 61 | T | A | -0.4938 | |
| 62 | H | A | 0.1787 | |
| 63 | I | A | 1.1748 | |
| 64 | M | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | T | A | 0.0981 | |
| 67 | E | A | -0.0944 | |
| 68 | A | A | 0.0000 | |
| 69 | S | A | 0.0000 | |
| 70 | N | A | -0.5503 | |
| 71 | Y | A | -0.0987 | |
| 72 | A | A | -0.5063 | |
| 73 | Q | A | -0.8617 | |
| 74 | Y | A | 0.0000 | |
| 75 | R | A | -1.2104 | |
| 76 | V | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | R | A | -1.9183 | |
| 79 | A | A | 0.0000 | |
| 80 | T | A | -0.4381 | |
| 81 | I | A | 0.0000 | |
| 82 | R | A | -1.4634 | |
| 83 | Y | A | 0.0000 | |
| 84 | R | A | -0.8672 | |
| 85 | P | A | -0.1835 | |
| 86 | L | A | 0.5510 | |
| 87 | V | A | 0.0386 | |
| 88 | P | A | -0.6908 | |
| 89 | N | A | -1.2950 | |
| 90 | A | A | -0.5059 | |
| 91 | V | A | 0.0000 | |
| 92 | G | A | -0.7659 | |
| 93 | G | A | -0.6309 | |
| 94 | Y | A | 0.0000 | |
| 95 | A | A | -0.3467 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | W | A | -0.6419 | |
| 102 | P | A | 0.0000 | |
| 103 | Q | A | -1.3723 | |
| 104 | T | A | 0.0000 | |
| 105 | T | A | -0.9796 | |
| 106 | T | A | -0.4192 | |
| 107 | T | A | -0.2878 | |
| 108 | P | A | 0.0000 | |
| 109 | T | A | -0.1521 | |
| 110 | S | A | -0.4097 | |
| 111 | V | A | 0.0000 | |
| 112 | D | A | -1.0068 | |
| 113 | M | A | -0.6285 | |
| 114 | N | A | -1.4047 | |
| 115 | S | A | -0.8782 | |
| 116 | I | A | 0.0000 | |
| 117 | T | A | -0.8745 | |
| 118 | S | A | -1.0987 | |
| 119 | T | A | -1.3402 | |
| 120 | D | A | -2.0302 | |
| 121 | V | A | 0.0000 | |
| 122 | R | A | -1.0709 | |
| 123 | I | A | -0.1320 | |
| 124 | L | A | 0.2531 | |
| 125 | V | A | 0.0000 | |
| 126 | Q | A | -0.8677 | |
| 127 | P | A | -0.8178 | |
| 128 | G | A | -0.4849 | |
| 129 | I | A | 0.5726 | |
| 130 | A | A | -0.3303 | |
| 131 | S | A | -0.9975 | |
| 132 | E | A | -1.7915 | |
| 133 | L | A | 0.0000 | |
| 134 | V | A | 0.8047 | |
| 135 | I | A | 0.0000 | |
| 136 | P | A | -0.7937 | |
| 137 | S | A | -1.4770 | |
| 138 | E | A | -2.2168 | |
| 139 | R | A | -1.5027 | |
| 140 | L | A | 0.0000 | |
| 141 | H | A | -1.9758 | |
| 142 | Y | A | -1.0321 | |
| 143 | R | A | -2.9410 | |
| 144 | N | A | -2.6895 | |
| 145 | Q | A | -2.3561 | |
| 146 | G | A | 0.0000 | |
| 147 | W | A | -1.4094 | |
| 148 | R | A | 0.0000 | |
| 149 | S | A | -0.9014 | |
| 150 | V | A | 0.0000 | |
| 151 | E | A | -0.6196 | |
| 152 | T | A | 0.0000 | |
| 153 | S | A | -0.5065 | |
| 154 | G | A | -0.6558 | |
| 155 | V | A | -0.8790 | |
| 156 | A | A | -1.3482 | |
| 157 | E | A | 0.0000 | |
| 158 | E | A | -2.4793 | |
| 159 | E | A | -2.7505 | |
| 160 | A | A | 0.0000 | |
| 161 | T | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | M | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | C | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | H | A | 0.0000 | |
| 171 | G | A | -0.3284 | |
| 172 | S | A | -0.2419 | |
| 173 | P | A | 0.0000 | |
| 174 | V | A | 0.0253 | |
| 175 | N | A | -0.4082 | |
| 176 | S | A | -0.2603 | |
| 177 | Y | A | 0.8033 | |
| 178 | T | A | -0.1321 | |
| 179 | N | A | -0.9831 | |
| 180 | T | A | -0.4909 | |
| 181 | P | A | -0.3757 | |
| 182 | Y | A | -0.1154 | |
| 183 | T | A | -0.0977 | |
| 184 | G | A | -0.1181 | |
| 185 | A | A | 0.1268 | |
| 186 | L | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | -0.2015 | |
| 189 | L | A | 0.0000 | |
| 190 | D | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | A | A | -0.9633 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -2.2403 | |
| 195 | L | A | 0.0000 | |
| 196 | E | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | R | A | -0.7349 | |
| 199 | N | A | -0.5630 | |
| 200 | L | A | 0.8488 | |
| 201 | T | A | -0.0492 | |
| 202 | P | A | -0.4272 | |
| 203 | G | A | -0.6837 | |
| 204 | N | A | -0.4971 | |
| 205 | T | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | T | A | -0.5339 | |
| 208 | R | A | -1.1639 | |
| 209 | V | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | R | A | 0.0000 | |
| 212 | Y | A | -0.2149 | |
| 213 | S | A | -0.2098 | |
| 214 | S | A | -0.3128 | |
| 215 | T | A | -0.9850 | |
| 216 | A | A | -1.7502 | |
| 217 | R | A | -3.1807 | |
| 218 | H | A | 0.0000 | |
| 219 | R | A | -3.2723 | |
| 220 | L | A | 0.0000 | |
| 221 | R | A | -2.6819 | |
| 222 | R | A | -3.2306 | |
| 223 | G | A | -1.9956 | |
| 224 | A | A | -1.4045 | |
| 225 | D | A | -2.1535 | |
| 226 | G | A | 0.0000 | |
| 227 | T | A | -1.7662 | |
| 228 | A | A | 0.0000 | |
| 229 | E | A | -1.2671 | |
| 230 | L | A | 0.0000 | |
| 231 | T | A | -1.0882 | |
| 232 | T | A | 0.0000 | |
| 233 | T | A | -0.3503 | |
| 234 | A | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | T | A | -0.5027 | |
| 237 | R | A | -0.4116 | |
| 238 | F | A | -0.3158 | |
| 239 | M | A | -0.5454 | |
| 240 | K | A | -1.2827 | |
| 241 | D | A | 0.0000 | |
| 242 | L | A | -0.5533 | |
| 243 | Y | A | -0.3827 | |
| 244 | F | A | 0.0000 | |
| 245 | T | A | -0.4990 | |
| 246 | S | A | -0.3867 | |
| 247 | T | A | -0.5405 | |
| 248 | N | A | -1.0782 | |
| 249 | G | A | -0.1889 | |
| 250 | V | A | 0.9114 | |
| 251 | G | A | -0.1146 | |
| 252 | E | A | -0.4236 | |
| 253 | I | A | -0.3131 | |
| 254 | G | A | 0.0000 | |
| 255 | R | A | -1.2859 | |
| 256 | G | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | N | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | A | A | -0.6673 | |
| 266 | D | A | -0.8819 | |
| 267 | T | A | -0.3841 | |
| 268 | L | A | -0.1663 | |
| 269 | L | A | 0.0980 | |
| 270 | G | A | -0.4017 | |
| 271 | G | A | -0.5407 | |
| 272 | L | A | -0.2699 | |
| 273 | P | A | -0.5272 | |
| 274 | T | A | -0.7963 | |
| 275 | E | A | -1.5508 | |
| 276 | L | A | 0.0000 | |
| 277 | I | A | 0.0277 | |
| 278 | S | A | -0.4408 | |
| 279 | S | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | G | A | -0.2153 | |
| 282 | G | A | 0.0000 | |
| 283 | Q | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | Y | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | R | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | V | A | -0.1654 | |
| 291 | V | A | -0.2283 | |
| 292 | S | A | -0.7353 | |
| 293 | A | A | -0.5309 | |
| 294 | N | A | -1.7981 | |
| 295 | G | A | -1.6500 | |
| 296 | E | A | -2.3993 | |
| 297 | P | A | -1.2217 | |
| 298 | T | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | K | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | Y | A | 0.0000 | |
| 303 | T | A | -0.9596 | |
| 304 | S | A | -1.1477 | |
| 305 | V | A | 0.0000 | |
| 306 | E | A | -2.7957 | |
| 307 | N | A | -2.6095 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -2.4964 | |
| 310 | Q | A | -2.7312 | |
| 311 | D | A | -2.7633 | |
| 312 | K | A | -2.9249 | |
| 313 | G | A | -1.6339 | |
| 314 | I | A | 0.0000 | |
| 315 | A | A | -1.2369 | |
| 316 | I | A | 0.0000 | |
| 317 | P | A | -1.3051 | |
| 318 | H | A | -2.2765 | |
| 319 | D | A | -2.8530 | |
| 320 | I | A | 0.0000 | |
| 321 | D | A | -2.6760 | |
| 322 | L | A | 0.0000 | |
| 323 | G | A | 0.0000 | |
| 324 | E | A | -3.0104 | |
| 325 | S | A | 0.0000 | |
| 326 | R | A | -0.9771 | |
| 327 | V | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | Q | A | 0.0000 | |
| 331 | D | A | -0.2295 | |
| 332 | Y | A | 0.0000 | |
| 333 | D | A | 0.0000 | |
| 334 | N | A | 0.0000 | |
| 335 | Q | A | -1.0133 | |
| 336 | H | A | -1.5377 | |
| 337 | E | A | -1.9096 | |
| 338 | Q | A | -2.1159 | |
| 339 | D | A | 0.0000 | |
| 340 | R | A | -1.3377 | |
| 341 | P | A | -1.0869 | |
| 342 | T | A | -0.6417 | |
| 343 | P | A | -0.7623 | |
| 344 | S | A | -0.6612 | |
| 345 | P | A | -0.5516 | |
| 346 | A | A | -0.4924 | |
| 347 | P | A | -0.6046 | |
| 348 | S | A | -0.6775 | |
| 349 | R | A | -0.5652 | |
| 350 | P | A | -0.5693 | |
| 351 | F | A | 0.0000 | |
| 352 | S | A | -0.8027 | |
| 353 | V | A | -0.6103 | |
| 354 | L | A | 0.0000 | |
| 355 | R | A | -2.4599 | |
| 356 | A | A | -1.7352 | |
| 357 | N | A | -1.6318 | |
| 358 | D | A | 0.0000 | |
| 359 | V | A | 0.9201 | |
| 360 | L | A | 0.0000 | |
| 361 | W | A | 1.1811 | |
| 362 | L | A | 0.0000 | |
| 363 | S | A | 0.1455 | |
| 364 | L | A | 0.0000 | |
| 365 | T | A | -0.5785 | |
| 366 | A | A | -0.7584 | |
| 367 | A | A | 0.0000 | |
| 368 | E | A | -1.8210 | |
| 369 | Y | A | -0.9733 | |
| 370 | D | A | -1.1308 | |
| 371 | Q | A | -1.3831 | |
| 372 | S | A | -0.7109 | |
| 373 | T | A | -0.4316 | |
| 374 | Y | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | S | A | -0.6836 | |
| 377 | S | A | -0.5351 | |
| 378 | T | A | -0.1537 | |
| 379 | G | A | -0.1626 | |
| 380 | P | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | Y | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | S | A | 0.0000 | |
| 385 | D | A | -1.9258 | |
| 386 | S | A | -1.0234 | |
| 387 | V | A | 0.0000 | |
| 388 | T | A | -0.2143 | |
| 389 | L | A | 0.0000 | |
| 390 | V | A | 0.6669 | |
| 391 | N | A | 0.0000 | |
| 392 | V | A | 1.9799 | |
| 393 | A | A | 0.9782 | |
| 394 | T | A | 0.1898 | |
| 395 | G | A | 0.0478 | |
| 396 | A | A | -0.3955 | |
| 397 | Q | A | -0.7216 | |
| 398 | A | A | -0.4987 | |
| 399 | V | A | -0.2272 | |
| 400 | A | A | 0.0000 | |
| 401 | R | A | -2.0655 | |
| 402 | S | A | -0.9451 | |
| 403 | L | A | -1.1282 | |
| 404 | D | A | -2.0358 | |
| 405 | W | A | 0.0000 | |
| 406 | T | A | -1.4677 | |
| 407 | K | A | -2.2116 | |
| 408 | V | A | 0.0000 | |
| 409 | T | A | -1.4799 | |
| 410 | L | A | 0.0000 | |
| 411 | D | A | -2.0714 | |
| 412 | G | A | -1.7018 | |
| 413 | R | A | -2.0008 | |
| 414 | P | A | -1.4264 | |
| 415 | L | A | 0.0000 | |
| 416 | S | A | 0.2668 | |
| 417 | T | A | -0.0649 | |
| 418 | I | A | -0.4032 | |
| 419 | Q | A | -1.3992 | |
| 420 | Q | A | -0.8832 | |
| 421 | Y | A | -0.1597 | |
| 422 | S | A | -0.5417 | |
| 423 | K | A | -0.9162 | |
| 424 | T | A | -0.9386 | |
| 425 | F | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | P | A | -0.4783 | |
| 430 | L | A | 0.0000 | |
| 431 | R | A | -1.5439 | |
| 432 | G | A | -1.0445 | |
| 433 | K | A | -0.7448 | |
| 434 | L | A | 0.0000 | |
| 435 | S | A | 0.0538 | |
| 436 | F | A | 0.0000 | |
| 437 | W | A | -0.5105 | |
| 438 | E | A | -1.0745 | |
| 439 | A | A | -0.7048 | |
| 440 | G | A | -0.8002 | |
| 441 | T | A | -0.8634 | |
| 442 | T | A | -0.9352 | |
| 443 | K | A | -1.6384 | |
| 444 | A | A | -0.6439 | |
| 445 | G | A | 0.0000 | |
| 446 | Y | A | 0.9861 | |
| 447 | P | A | 0.0000 | |
| 448 | Y | A | 1.2322 | |
| 449 | N | A | 0.4147 | |
| 450 | Y | A | 0.9204 | |
| 451 | N | A | -0.6713 | |
| 452 | T | A | -0.4156 | |
| 453 | T | A | -0.3396 | |
| 454 | A | A | -0.4767 | |
| 455 | S | A | -0.8366 | |
| 456 | D | A | 0.0000 | |
| 457 | Q | A | -0.8597 | |
| 458 | L | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | E | A | 0.0000 | |
| 462 | N | A | -1.5287 | |
| 463 | A | A | -0.8366 | |
| 464 | A | A | -0.7908 | |
| 465 | G | A | -1.4289 | |
| 466 | H | A | -1.6490 | |
| 467 | R | A | -1.6248 | |
| 468 | V | A | 0.0000 | |
| 469 | A | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | S | A | 0.3856 | |
| 472 | T | A | 0.0000 | |
| 473 | Y | A | 1.7667 | |
| 474 | T | A | 0.5822 | |
| 475 | T | A | -0.0106 | |
| 476 | S | A | -0.0113 | |
| 477 | L | A | 0.0000 | |
| 478 | G | A | -0.5931 | |
| 479 | A | A | -0.6186 | |
| 480 | G | A | -1.0484 | |
| 481 | P | A | -0.9021 | |
| 482 | V | A | 0.0000 | |
| 483 | S | A | -0.6138 | |
| 484 | I | A | 0.0000 | |
| 485 | S | A | 0.0000 | |
| 486 | A | A | 0.0000 | |
| 487 | V | A | 1.0029 | |
| 488 | A | A | 0.0000 | |
| 489 | V | A | -0.1958 | |
| 490 | L | A | 0.0000 | |
| 491 | A | A | -1.2058 | |
| 492 | P | A | -0.9520 | |
| 493 | H | A | -0.5543 | |
| 494 | S | A | 0.6365 | |
| 495 | V | A | 1.9589 | |
| 496 | L | A | 1.7839 | |
| 497 | A | A | 1.0148 |
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