| Chain sequence(s) |
A: MIPNDDDDANSMKNYPLNDDDANSMKNYPLNDDDANSMENYPLRSIPTELSHTCSLIPPSLPNPSEAAADMSFNSELNQIMARPCDMLPANGGAVGHNPFLEPGFNCPETTDWIPSPLPHIYFPSGSPNLIMEDGVIDEIHKQSDLPLWYDDLITTDEDPLMSSILGDLLLDTNFNSASKVQQPSMQSQIQQPQAVLQQPSSCVELRPLDRTVSSNSNNNSNSNNAAAAAKGRMRWTPELHEVFVDAVNQLGGSNEATPKGVLKHMKVEGLTIFHVKSHLQKYRTAKYIPVPSEGSPEARLTPLEQITSDDTKRGIDITETLRIQMEHQKKLHEQLESLRTMQLRIEEQGKALLMMIEKQNMGFGGPEQGEKTSAKTPENGSEESESPRPKRPRNEE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.8441 | |
| 2 | I | A | 1.8682 | |
| 3 | P | A | -0.1947 | |
| 4 | N | A | -2.0689 | |
| 5 | D | A | -3.5842 | |
| 6 | D | A | -4.3157 | |
| 7 | D | A | -3.9786 | |
| 8 | D | A | -3.3671 | |
| 9 | A | A | -1.8455 | |
| 10 | N | A | -1.6319 | |
| 11 | S | A | -1.0691 | |
| 12 | M | A | -0.3900 | |
| 13 | K | A | -1.7295 | |
| 14 | N | A | -1.0850 | |
| 15 | Y | A | 0.4988 | |
| 16 | P | A | 0.0613 | |
| 17 | L | A | 0.2508 | |
| 18 | N | A | -1.9927 | |
| 19 | D | A | -3.2752 | |
| 20 | D | A | -3.8065 | |
| 21 | D | A | -3.5160 | |
| 22 | A | A | -2.0188 | |
| 23 | N | A | -1.8839 | |
| 24 | S | A | -0.9581 | |
| 25 | M | A | -0.3714 | |
| 26 | K | A | -1.7414 | |
| 27 | N | A | -1.2641 | |
| 28 | Y | A | 0.5518 | |
| 29 | P | A | 0.4788 | |
| 30 | L | A | 0.4830 | |
| 31 | N | A | -1.9372 | |
| 32 | D | A | -3.2946 | |
| 33 | D | A | -3.6903 | |
| 34 | D | A | -3.4480 | |
| 35 | A | A | -2.1171 | |
| 36 | N | A | -1.5011 | |
| 37 | S | A | -0.8002 | |
| 38 | M | A | -0.5010 | |
| 39 | E | A | -1.7324 | |
| 40 | N | A | -1.2539 | |
| 41 | Y | A | 0.2986 | |
| 42 | P | A | 0.1391 | |
| 43 | L | A | 0.8940 | |
| 44 | R | A | -0.6599 | |
| 45 | S | A | 0.1350 | |
| 46 | I | A | 1.5407 | |
| 47 | P | A | 0.1824 | |
| 48 | T | A | -0.3588 | |
| 49 | E | A | -1.2725 | |
| 50 | L | A | 0.2227 | |
| 51 | S | A | -0.4238 | |
| 52 | H | A | -0.8020 | |
| 53 | T | A | 0.0809 | |
| 54 | C | A | 1.0278 | |
| 55 | S | A | 1.3481 | |
| 56 | L | A | 2.5224 | |
| 57 | I | A | 2.5790 | |
| 58 | P | A | 1.0987 | |
| 59 | P | A | 0.6051 | |
| 60 | S | A | 0.4098 | |
| 61 | L | A | 0.8847 | |
| 62 | P | A | -0.3006 | |
| 63 | N | A | -1.4423 | |
| 64 | P | A | -1.2760 | |
| 65 | S | A | -1.5567 | |
| 66 | E | A | -2.0858 | |
| 67 | A | A | -1.1254 | |
| 68 | A | A | -0.6209 | |
| 69 | A | A | -0.7526 | |
| 70 | D | A | -1.0098 | |
| 71 | M | A | 0.3065 | |
| 72 | S | A | 0.1442 | |
| 73 | F | A | 1.0320 | |
| 74 | N | A | -0.8523 | |
| 75 | S | A | -1.0784 | |
| 76 | E | A | -1.4359 | |
| 77 | L | A | 0.3790 | |
| 78 | N | A | -1.0274 | |
| 79 | Q | A | -1.1337 | |
| 80 | I | A | 1.2038 | |
| 81 | M | A | 0.8805 | |
| 82 | A | A | -0.1630 | |
| 83 | R | A | -1.4238 | |
| 84 | P | A | -1.0048 | |
| 85 | C | A | -0.2662 | |
| 86 | D | A | -0.8722 | |
| 87 | M | A | 1.0268 | |
| 88 | L | A | 1.5929 | |
| 89 | P | A | 0.4059 | |
| 90 | A | A | -0.4372 | |
| 91 | N | A | -1.6468 | |
| 92 | G | A | -1.3597 | |
| 93 | G | A | -0.5360 | |
| 94 | A | A | 0.5221 | |
| 95 | V | A | 1.2597 | |
| 96 | G | A | -0.3414 | |
| 97 | H | A | -1.5303 | |
| 98 | N | A | -1.5991 | |
| 99 | P | A | 0.1720 | |
| 100 | F | A | 1.9516 | |
| 101 | L | A | 1.4836 | |
| 102 | E | A | -0.9324 | |
| 103 | P | A | -0.7738 | |
| 104 | G | A | -0.3067 | |
| 105 | F | A | 1.1845 | |
| 106 | N | A | -0.1407 | |
| 107 | C | A | -0.0582 | |
| 108 | P | A | -1.0624 | |
| 109 | E | A | -1.8307 | |
| 110 | T | A | -1.3202 | |
| 111 | T | A | -0.8252 | |
| 112 | D | A | -0.7328 | |
| 113 | W | A | 1.1794 | |
| 114 | I | A | 1.8642 | |
| 115 | P | A | 0.8296 | |
| 116 | S | A | 0.5992 | |
| 117 | P | A | 0.3914 | |
| 118 | L | A | 1.2421 | |
| 119 | P | A | 0.5634 | |
| 120 | H | A | 0.8063 | |
| 121 | I | A | 2.7378 | |
| 122 | Y | A | 2.8181 | |
| 123 | F | A | 2.7099 | |
| 124 | P | A | 0.9775 | |
| 125 | S | A | -0.0372 | |
| 126 | G | A | -0.5709 | |
| 127 | S | A | -0.8910 | |
| 128 | P | A | -0.5507 | |
| 129 | N | A | -0.1166 | |
| 130 | L | A | 1.8723 | |
| 131 | I | A | 2.5436 | |
| 132 | M | A | 0.8742 | |
| 133 | E | A | -1.5987 | |
| 134 | D | A | -2.0861 | |
| 135 | G | A | -0.5303 | |
| 136 | V | A | 1.4369 | |
| 137 | I | A | 1.4925 | |
| 138 | D | A | -1.1457 | |
| 139 | E | A | -1.6472 | |
| 140 | I | A | -0.0587 | |
| 141 | H | A | -1.7743 | |
| 142 | K | A | -3.1407 | |
| 143 | Q | A | -2.5217 | |
| 144 | S | A | -1.8691 | |
| 145 | D | A | -1.6063 | |
| 146 | L | A | 0.6929 | |
| 147 | P | A | 0.4633 | |
| 148 | L | A | 1.4229 | |
| 149 | W | A | 1.1273 | |
| 150 | Y | A | 1.4803 | |
| 151 | D | A | 0.1033 | |
| 152 | D | A | -0.6088 | |
| 153 | L | A | 1.4897 | |
| 154 | I | A | 1.6411 | |
| 155 | T | A | -0.3696 | |
| 156 | T | A | -1.6288 | |
| 157 | D | A | -2.7865 | |
| 158 | E | A | -3.3798 | |
| 159 | D | A | -2.6889 | |
| 160 | P | A | -0.8912 | |
| 161 | L | A | 1.2758 | |
| 162 | M | A | 1.1107 | |
| 163 | S | A | 0.5897 | |
| 164 | S | A | 0.9940 | |
| 165 | I | A | 2.5934 | |
| 166 | L | A | 2.9348 | |
| 167 | G | A | 1.2557 | |
| 168 | D | A | 0.3350 | |
| 169 | L | A | 2.0449 | |
| 170 | L | A | 2.2317 | |
| 171 | L | A | 1.3259 | |
| 172 | D | A | -0.6687 | |
| 173 | T | A | -0.0968 | |
| 174 | N | A | -0.3880 | |
| 175 | F | A | 0.5255 | |
| 176 | N | A | -0.7724 | |
| 177 | S | A | -0.5088 | |
| 178 | A | A | -0.4374 | |
| 179 | S | A | -0.8714 | |
| 180 | K | A | -1.1957 | |
| 181 | V | A | 0.0556 | |
| 182 | Q | A | -1.3365 | |
| 183 | Q | A | -1.5871 | |
| 184 | P | A | -1.0930 | |
| 185 | S | A | -0.3534 | |
| 186 | M | A | 0.2547 | |
| 187 | Q | A | -1.0756 | |
| 188 | S | A | -0.9068 | |
| 189 | Q | A | -1.0059 | |
| 190 | I | A | 0.5159 | |
| 191 | Q | A | -1.3225 | |
| 192 | Q | A | -1.8600 | |
| 193 | P | A | -1.4467 | |
| 194 | Q | A | -1.1282 | |
| 195 | A | A | 0.4025 | |
| 196 | V | A | 1.7354 | |
| 197 | L | A | 1.3773 | |
| 198 | Q | A | -0.6014 | |
| 199 | Q | A | -1.3831 | |
| 200 | P | A | -1.0211 | |
| 201 | S | A | -0.5652 | |
| 202 | S | A | 0.0239 | |
| 203 | C | A | 1.0763 | |
| 204 | V | A | 1.3791 | |
| 205 | E | A | -0.5119 | |
| 206 | L | A | 0.4323 | |
| 207 | R | A | -1.2654 | |
| 208 | P | A | -0.9312 | |
| 209 | L | A | -0.1613 | |
| 210 | D | A | -2.2270 | |
| 211 | R | A | -2.0490 | |
| 212 | T | A | -0.4348 | |
| 213 | V | A | 1.0253 | |
| 214 | S | A | 0.2141 | |
| 215 | S | A | -0.7186 | |
| 216 | N | A | -1.6570 | |
| 217 | S | A | -1.8322 | |
| 218 | N | A | -2.6457 | |
| 219 | N | A | -2.7700 | |
| 220 | N | A | -2.6099 | |
| 221 | S | A | -2.1287 | |
| 222 | N | A | -2.4303 | |
| 223 | S | A | -1.9501 | |
| 224 | N | A | -2.2858 | |
| 225 | N | A | -2.0850 | |
| 226 | A | A | -1.1020 | |
| 227 | A | A | -0.8318 | |
| 228 | A | A | -0.9393 | |
| 229 | A | A | -1.1057 | |
| 230 | A | A | -1.3050 | |
| 231 | K | A | -2.2914 | |
| 232 | G | A | -2.3457 | |
| 233 | R | A | -2.8419 | |
| 234 | M | A | -1.9809 | |
| 235 | R | A | -2.2092 | |
| 236 | W | A | -1.3831 | |
| 237 | T | A | -1.3767 | |
| 238 | P | A | -1.6990 | |
| 239 | E | A | -2.3212 | |
| 240 | L | A | -1.2561 | |
| 241 | H | A | -1.7938 | |
| 242 | E | A | -2.4843 | |
| 243 | V | A | -1.3155 | |
| 244 | F | A | 0.0000 | |
| 245 | V | A | -1.3910 | |
| 246 | D | A | -2.4841 | |
| 247 | A | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | N | A | -2.4539 | |
| 250 | Q | A | -2.4025 | |
| 251 | L | A | -1.7306 | |
| 252 | G | A | -1.9114 | |
| 253 | G | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | N | A | -2.2949 | |
| 256 | E | A | -2.7903 | |
| 257 | A | A | 0.0000 | |
| 258 | T | A | -1.6288 | |
| 259 | P | A | -1.6205 | |
| 260 | K | A | -2.0671 | |
| 261 | G | A | -1.7175 | |
| 262 | V | A | 0.0000 | |
| 263 | L | A | -1.6055 | |
| 264 | K | A | -2.6087 | |
| 265 | H | A | -2.1267 | |
| 266 | M | A | 0.0000 | |
| 267 | K | A | -2.3397 | |
| 268 | V | A | -1.2187 | |
| 269 | E | A | -2.0717 | |
| 270 | G | A | -1.2776 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | 0.1887 | |
| 273 | I | A | 0.3166 | |
| 274 | F | A | 1.2650 | |
| 275 | H | A | -0.0980 | |
| 276 | V | A | 0.0000 | |
| 277 | K | A | -1.8070 | |
| 278 | S | A | -1.3172 | |
| 279 | H | A | -1.5296 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -2.9780 | |
| 282 | K | A | -3.0276 | |
| 283 | Y | A | -1.9109 | |
| 284 | R | A | -2.0067 | |
| 285 | T | A | -1.6202 | |
| 286 | A | A | -1.0532 | |
| 287 | K | A | -0.9026 | |
| 288 | Y | A | 1.5103 | |
| 289 | I | A | 2.3500 | |
| 290 | P | A | 1.5607 | |
| 291 | V | A | 2.0449 | |
| 292 | P | A | 0.0894 | |
| 293 | S | A | -0.8623 | |
| 294 | E | A | -2.0234 | |
| 295 | G | A | -1.5952 | |
| 296 | S | A | -1.3306 | |
| 297 | P | A | -1.5329 | |
| 298 | E | A | -2.2200 | |
| 299 | A | A | -1.3724 | |
| 300 | R | A | -1.5518 | |
| 301 | L | A | 0.6020 | |
| 302 | T | A | 0.3331 | |
| 303 | P | A | 0.0359 | |
| 304 | L | A | 0.8093 | |
| 305 | E | A | -1.1999 | |
| 306 | Q | A | -1.1098 | |
| 307 | I | A | 0.3892 | |
| 308 | T | A | -1.1283 | |
| 309 | S | A | -2.5373 | |
| 310 | D | A | -3.4697 | |
| 311 | D | A | -3.6246 | |
| 312 | T | A | -2.3442 | |
| 313 | K | A | -3.4678 | |
| 314 | R | A | -3.4994 | |
| 315 | G | A | -1.5142 | |
| 316 | I | A | -0.1056 | |
| 317 | D | A | -1.4537 | |
| 318 | I | A | 1.0912 | |
| 319 | T | A | 0.4819 | |
| 320 | E | A | -0.0459 | |
| 321 | T | A | 0.6815 | |
| 322 | L | A | 1.2617 | |
| 323 | R | A | -0.4265 | |
| 324 | I | A | 0.2098 | |
| 325 | Q | A | -1.3741 | |
| 326 | M | A | -1.0881 | |
| 327 | E | A | -2.7239 | |
| 328 | H | A | -3.0279 | |
| 329 | Q | A | -3.4251 | |
| 330 | K | A | -3.9580 | |
| 331 | K | A | -4.0311 | |
| 332 | L | A | -1.9370 | |
| 333 | H | A | -2.8866 | |
| 334 | E | A | -3.4131 | |
| 335 | Q | A | -1.7540 | |
| 336 | L | A | -0.4652 | |
| 337 | E | A | -2.3070 | |
| 338 | S | A | -0.8997 | |
| 339 | L | A | 0.1513 | |
| 340 | R | A | -1.3119 | |
| 341 | T | A | -0.2664 | |
| 342 | M | A | 0.2423 | |
| 343 | Q | A | -0.6188 | |
| 344 | L | A | 0.0889 | |
| 345 | R | A | -1.0683 | |
| 346 | I | A | -0.1939 | |
| 347 | E | A | -1.7579 | |
| 348 | E | A | -2.6381 | |
| 349 | Q | A | -1.7971 | |
| 350 | G | A | -0.8623 | |
| 351 | K | A | -1.2802 | |
| 352 | A | A | 0.4016 | |
| 353 | L | A | 1.7735 | |
| 354 | L | A | 1.9703 | |
| 355 | M | A | 1.4514 | |
| 356 | M | A | 1.6819 | |
| 357 | I | A | 1.5928 | |
| 358 | E | A | -0.9766 | |
| 359 | K | A | -1.4403 | |
| 360 | Q | A | -1.3779 | |
| 361 | N | A | -1.4512 | |
| 362 | M | A | -0.5501 | |
| 363 | G | A | -0.7458 | |
| 364 | F | A | 0.8558 | |
| 365 | G | A | -0.1227 | |
| 366 | G | A | -0.8596 | |
| 367 | P | A | -1.6214 | |
| 368 | E | A | -3.0493 | |
| 369 | Q | A | -3.0632 | |
| 370 | G | A | -2.9509 | |
| 371 | E | A | -3.3683 | |
| 372 | K | A | -2.9019 | |
| 373 | T | A | -1.4312 | |
| 374 | S | A | -0.9307 | |
| 375 | A | A | -0.9923 | |
| 376 | K | A | -1.7978 | |
| 377 | T | A | -1.3764 | |
| 378 | P | A | -1.7729 | |
| 379 | E | A | -2.6845 | |
| 380 | N | A | -2.4937 | |
| 381 | G | A | -1.9379 | |
| 382 | S | A | -2.0003 | |
| 383 | E | A | -2.9834 | |
| 384 | E | A | -3.2611 | |
| 385 | S | A | -2.4613 | |
| 386 | E | A | -2.4653 | |
| 387 | S | A | -1.6864 | |
| 388 | P | A | -1.7374 | |
| 389 | R | A | -2.4680 | |
| 390 | P | A | -2.3816 | |
| 391 | K | A | -3.1195 | |
| 392 | R | A | -3.2708 | |
| 393 | P | A | -2.7972 | |
| 394 | R | A | -3.3745 | |
| 395 | N | A | -3.5153 | |
| 396 | E | A | -3.7622 | |
| 397 | E | A | -3.0689 |
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