| Chain sequence(s) |
A: MSKEAEMSIAVSALFPGFRFSPTDVELISYYLRRKIDGDENSVAVIAEVEIYKFEPWDLPEESKLKSENEWFYFCARGRKYPHGSQSRRATQLGYWKATGKERSVKSGNQVVGTKRTLVFHIGRAPRGERTEWIMHEYCIHGAPQDALVVCRLRKNADFRASSTQKMEDGVVQDDGYVGQRGGLEKEDKSYYESEHQIPNGDIAESSNVVEDQADTDDDCYAEILNDDIIKLDEEALKASQAFRPTNPTHQETISSESSSKRSKCGIKKESTETMNCYALFRIKNVAGTDSSWRFPNPFKIKKDDSQRLMKNVLATTVFLAILFSFFWTVLIARN
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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. (00:00:03)
|
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 | -0.0073 | |
| 2 | S | A | -1.2261 | |
| 3 | K | A | -2.0984 | |
| 4 | E | A | -1.3770 | |
| 5 | A | A | 0.0000 | |
| 6 | E | A | -1.2254 | |
| 7 | M | A | 0.1250 | |
| 8 | S | A | 0.0000 | |
| 9 | I | A | 0.3282 | |
| 10 | A | A | 1.1685 | |
| 11 | V | A | 1.7252 | |
| 12 | S | A | 1.0641 | |
| 13 | A | A | 1.6013 | |
| 14 | L | A | 2.7266 | |
| 15 | F | A | 2.8744 | |
| 16 | P | A | 1.1522 | |
| 17 | G | A | 0.2836 | |
| 18 | F | A | 0.8128 | |
| 19 | R | A | -0.5920 | |
| 20 | F | A | -0.1195 | |
| 21 | S | A | -0.3409 | |
| 22 | P | A | 0.0000 | |
| 23 | T | A | -0.1935 | |
| 24 | D | A | -0.6376 | |
| 25 | V | A | -0.2655 | |
| 26 | E | A | -0.0161 | |
| 27 | L | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | S | A | -0.6055 | |
| 30 | Y | A | -0.1832 | |
| 31 | Y | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | R | A | -1.4755 | |
| 34 | R | A | -2.1699 | |
| 35 | K | A | -1.6300 | |
| 36 | I | A | -0.5405 | |
| 37 | D | A | -2.3355 | |
| 38 | G | A | -2.1627 | |
| 39 | D | A | -2.6063 | |
| 40 | E | A | -2.8982 | |
| 41 | N | A | -2.6367 | |
| 42 | S | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | A | A | -1.6333 | |
| 45 | V | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | E | A | -2.3940 | |
| 49 | V | A | 0.0000 | |
| 50 | E | A | -2.5628 | |
| 51 | I | A | 0.0000 | |
| 52 | Y | A | -1.7097 | |
| 53 | K | A | -2.3313 | |
| 54 | F | A | -0.8396 | |
| 55 | E | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | W | A | -0.2242 | |
| 58 | D | A | -1.2541 | |
| 59 | L | A | 0.0000 | |
| 60 | P | A | -2.3354 | |
| 61 | E | A | -2.9144 | |
| 62 | E | A | -2.7551 | |
| 63 | S | A | 0.0000 | |
| 64 | K | A | -1.7619 | |
| 65 | L | A | 0.0000 | |
| 66 | K | A | -2.8269 | |
| 67 | S | A | -2.4454 | |
| 68 | E | A | -3.0832 | |
| 69 | N | A | -3.0139 | |
| 70 | E | A | -2.0944 | |
| 71 | W | A | 0.0000 | |
| 72 | F | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | C | A | 0.0000 | |
| 76 | A | A | -1.1208 | |
| 77 | R | A | -1.8957 | |
| 78 | G | A | -2.2279 | |
| 79 | R | A | -2.7033 | |
| 80 | K | A | -2.3005 | |
| 81 | Y | A | -0.4964 | |
| 82 | P | A | -0.7253 | |
| 83 | H | A | -1.2229 | |
| 84 | G | A | -1.3834 | |
| 85 | S | A | -1.8065 | |
| 86 | Q | A | -2.4004 | |
| 87 | S | A | -2.5183 | |
| 88 | R | A | -3.0037 | |
| 89 | R | A | -2.1414 | |
| 90 | A | A | -1.2482 | |
| 91 | T | A | 0.0000 | |
| 92 | Q | A | -0.7513 | |
| 93 | L | A | 0.8976 | |
| 94 | G | A | 0.0000 | |
| 95 | Y | A | -0.9752 | |
| 96 | W | A | 0.0000 | |
| 97 | K | A | -1.8953 | |
| 98 | A | A | -1.2980 | |
| 99 | T | A | -1.0200 | |
| 100 | G | A | -1.8729 | |
| 101 | K | A | -2.7963 | |
| 102 | E | A | -2.6248 | |
| 103 | R | A | -2.9411 | |
| 104 | S | A | -2.0415 | |
| 105 | V | A | 0.0000 | |
| 106 | K | A | -2.6905 | |
| 107 | S | A | -1.7576 | |
| 108 | G | A | -1.8674 | |
| 109 | N | A | -2.4114 | |
| 110 | Q | A | -2.4120 | |
| 111 | V | A | -1.4238 | |
| 112 | V | A | 0.0000 | |
| 113 | G | A | 0.0000 | |
| 114 | T | A | -1.2476 | |
| 115 | K | A | 0.0000 | |
| 116 | R | A | -1.4666 | |
| 117 | T | A | -1.1080 | |
| 118 | L | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | H | A | -1.4025 | |
| 122 | I | A | -0.2432 | |
| 123 | G | A | -1.2690 | |
| 124 | R | A | -2.3598 | |
| 125 | A | A | -1.9659 | |
| 126 | P | A | -2.0487 | |
| 127 | R | A | -2.9352 | |
| 128 | G | A | -2.4733 | |
| 129 | E | A | -2.7570 | |
| 130 | R | A | -2.2555 | |
| 131 | T | A | 0.0000 | |
| 132 | E | A | -1.5476 | |
| 133 | W | A | 0.0000 | |
| 134 | I | A | -0.5312 | |
| 135 | M | A | 0.0000 | |
| 136 | H | A | 0.0000 | |
| 137 | E | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | I | A | -0.3228 | |
| 141 | H | A | -1.3226 | |
| 142 | G | A | -0.9733 | |
| 143 | A | A | -0.9119 | |
| 144 | P | A | -1.2479 | |
| 145 | Q | A | -2.0302 | |
| 146 | D | A | -1.9936 | |
| 147 | A | A | -0.7171 | |
| 148 | L | A | -0.2741 | |
| 149 | V | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | C | A | 0.0000 | |
| 152 | R | A | -0.3925 | |
| 153 | L | A | 0.0000 | |
| 154 | R | A | -1.8589 | |
| 155 | K | A | -2.2434 | |
| 156 | N | A | -2.0950 | |
| 157 | A | A | -1.8286 | |
| 158 | D | A | -2.4822 | |
| 159 | F | A | -1.8943 | |
| 160 | R | A | -2.5353 | |
| 161 | A | A | -1.6742 | |
| 162 | S | A | -1.7796 | |
| 163 | S | A | -1.6489 | |
| 164 | T | A | -1.7170 | |
| 165 | Q | A | -2.7656 | |
| 166 | K | A | -2.8126 | |
| 167 | M | A | -1.4374 | |
| 168 | E | A | -2.7496 | |
| 169 | D | A | -2.4689 | |
| 170 | G | A | -0.6248 | |
| 171 | V | A | 1.2306 | |
| 172 | V | A | 1.0623 | |
| 173 | Q | A | -1.2896 | |
| 174 | D | A | -2.5447 | |
| 175 | D | A | -2.7252 | |
| 176 | G | A | -0.8318 | |
| 177 | Y | A | 1.2463 | |
| 178 | V | A | 1.7902 | |
| 179 | G | A | -0.2995 | |
| 180 | Q | A | -2.0095 | |
| 181 | R | A | -2.8646 | |
| 182 | G | A | -1.5308 | |
| 183 | G | A | -0.7273 | |
| 184 | L | A | -0.2272 | |
| 185 | E | A | -2.4177 | |
| 186 | K | A | -3.7444 | |
| 187 | E | A | -4.1938 | |
| 188 | D | A | -4.0350 | |
| 189 | K | A | -3.0452 | |
| 190 | S | A | -0.4919 | |
| 191 | Y | A | 1.0851 | |
| 192 | Y | A | 0.9281 | |
| 193 | E | A | -1.3268 | |
| 194 | S | A | -1.9841 | |
| 195 | E | A | -3.0457 | |
| 196 | H | A | -2.1046 | |
| 197 | Q | A | -1.1946 | |
| 198 | I | A | 0.8379 | |
| 199 | P | A | -0.2584 | |
| 200 | N | A | -1.6380 | |
| 201 | G | A | -1.5474 | |
| 202 | D | A | -1.3147 | |
| 203 | I | A | 0.6864 | |
| 204 | A | A | -0.3277 | |
| 205 | E | A | -1.5230 | |
| 206 | S | A | -1.4685 | |
| 207 | S | A | -1.0063 | |
| 208 | N | A | -0.3585 | |
| 209 | V | A | 1.3573 | |
| 210 | V | A | 1.0945 | |
| 211 | E | A | -1.7786 | |
| 212 | D | A | -2.8024 | |
| 213 | Q | A | -2.9218 | |
| 214 | A | A | -2.2432 | |
| 215 | D | A | -2.9411 | |
| 216 | T | A | -2.6054 | |
| 217 | D | A | -3.4211 | |
| 218 | D | A | -3.2875 | |
| 219 | D | A | -2.6933 | |
| 220 | C | A | -0.3797 | |
| 221 | Y | A | 1.0263 | |
| 222 | A | A | -0.5449 | |
| 223 | E | A | -1.1424 | |
| 224 | I | A | 1.4140 | |
| 225 | L | A | 1.3066 | |
| 226 | N | A | -1.0111 | |
| 227 | D | A | -1.8613 | |
| 228 | D | A | -1.3443 | |
| 229 | I | A | 0.9605 | |
| 230 | I | A | 0.1858 | |
| 231 | K | A | -1.9972 | |
| 232 | L | A | -0.6603 | |
| 233 | D | A | -1.8564 | |
| 234 | E | A | -2.4828 | |
| 235 | E | A | -2.8331 | |
| 236 | A | A | -1.7204 | |
| 237 | L | A | -1.1124 | |
| 238 | K | A | -2.2608 | |
| 239 | A | A | -1.1862 | |
| 240 | S | A | -0.8603 | |
| 241 | Q | A | -1.2629 | |
| 242 | A | A | -0.3911 | |
| 243 | F | A | 0.3650 | |
| 244 | R | A | -1.4868 | |
| 245 | P | A | -0.9846 | |
| 246 | T | A | -1.1234 | |
| 247 | N | A | -1.7121 | |
| 248 | P | A | -1.2410 | |
| 249 | T | A | -1.2407 | |
| 250 | H | A | -2.0518 | |
| 251 | Q | A | -2.6137 | |
| 252 | E | A | -2.2228 | |
| 253 | T | A | -0.3398 | |
| 254 | I | A | 1.4270 | |
| 255 | S | A | 0.2169 | |
| 256 | S | A | -0.9110 | |
| 257 | E | A | -2.1319 | |
| 258 | S | A | -1.2893 | |
| 259 | S | A | -1.1874 | |
| 260 | S | A | -1.6394 | |
| 261 | K | A | -2.8012 | |
| 262 | R | A | -3.1541 | |
| 263 | S | A | -2.2001 | |
| 264 | K | A | -1.7807 | |
| 265 | C | A | -0.2715 | |
| 266 | G | A | -0.2056 | |
| 267 | I | A | 0.2527 | |
| 268 | K | A | -2.0682 | |
| 269 | K | A | -2.9968 | |
| 270 | E | A | -2.9858 | |
| 271 | S | A | -2.1893 | |
| 272 | T | A | -1.6159 | |
| 273 | E | A | -1.8981 | |
| 274 | T | A | -0.7709 | |
| 275 | M | A | 0.2923 | |
| 276 | N | A | -0.4992 | |
| 277 | C | A | 1.2438 | |
| 278 | Y | A | 2.0993 | |
| 279 | A | A | 1.2548 | |
| 280 | L | A | 1.9160 | |
| 281 | F | A | 0.7084 | |
| 282 | R | A | -0.9720 | |
| 283 | I | A | 0.5602 | |
| 284 | K | A | -1.4584 | |
| 285 | N | A | -0.9523 | |
| 286 | V | A | 0.8169 | |
| 287 | A | A | -0.2373 | |
| 288 | G | A | -0.6518 | |
| 289 | T | A | -1.0625 | |
| 290 | D | A | -1.9315 | |
| 291 | S | A | -1.1590 | |
| 292 | S | A | -0.5005 | |
| 293 | W | A | 0.3563 | |
| 294 | R | A | -0.6313 | |
| 295 | F | A | 0.7936 | |
| 296 | P | A | -0.3265 | |
| 297 | N | A | -0.7658 | |
| 298 | P | A | 0.1496 | |
| 299 | F | A | 0.9092 | |
| 300 | K | A | -0.9549 | |
| 301 | I | A | -0.4534 | |
| 302 | K | A | -3.0245 | |
| 303 | K | A | -4.1213 | |
| 304 | D | A | -4.3488 | |
| 305 | D | A | -3.8852 | |
| 306 | S | A | -2.5098 | |
| 307 | Q | A | -3.6591 | |
| 308 | R | A | -3.2875 | |
| 309 | L | A | -0.1992 | |
| 310 | M | A | 0.3517 | |
| 311 | K | A | -1.3886 | |
| 312 | N | A | -0.5595 | |
| 313 | V | A | 2.0915 | |
| 314 | L | A | 2.6145 | |
| 315 | A | A | 1.9809 | |
| 316 | T | A | 2.1865 | |
| 317 | T | A | 2.8688 | |
| 318 | V | A | 4.5474 | |
| 319 | F | A | 4.8218 | |
| 320 | L | A | 4.6815 | |
| 321 | A | A | 4.1803 | |
| 322 | I | A | 5.0916 | |
| 323 | L | A | 5.7046 | |
| 324 | F | A | 5.6745 | |
| 325 | S | A | 4.4484 | |
| 326 | F | A | 5.4664 | |
| 327 | F | A | 5.9761 | |
| 328 | W | A | 5.1709 | |
| 329 | T | A | 3.9621 | |
| 330 | V | A | 4.2600 | |
| 331 | L | A | 3.6849 | |
| 332 | I | A | 2.9348 | |
| 333 | A | A | 1.2342 | |
| 334 | R | A | -0.8459 | |
| 335 | N | A | -0.9883 |
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