| Chain sequence(s) |
A: MLYEKFSPAGAILSIRVCRDMITRRSLGYAYVNFQQPADAERALDTMNFDVIKGRPVRIMWSQRDPSLRKSGVGNIFIKNLDKSIDNKALYDTFSAFGNILSCKVVCDENGSKGYGFVHFETQEAAERAIEKMNGMLLNDRKVFVGRFKSRKEREAELGARAKEFTNVYVKNFGEDMDEEKLRDVFSKYGNAMSIRVMSDDGGKSRGFGFVSFERHEDAQKAVDDLNGKEFNGKLIYVGRAQKKVERQTELKRAFEAMAQDRMTRYQGVNLYVKNLDDGIDDERLRKEFTPFGTITSAKVMMEGGRAQGFAFVCFLVPGGGHKAVTEMKRPHVATAPLYVASPKRKRSAKPT
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:03)
[INFO] Main: Simulation completed successfully. (00:00:08)
|
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 | 0.6141 | |
| 2 | L | A | 0.7977 | |
| 3 | Y | A | 0.8829 | |
| 4 | E | A | -1.0476 | |
| 5 | K | A | -0.6445 | |
| 6 | F | A | 0.0000 | |
| 7 | S | A | -0.3075 | |
| 8 | P | A | -0.7118 | |
| 9 | A | A | 0.0000 | |
| 10 | G | A | -0.6051 | |
| 11 | A | A | -0.1383 | |
| 12 | I | A | 0.6316 | |
| 13 | L | A | 1.0387 | |
| 14 | S | A | 0.5192 | |
| 15 | I | A | 0.6568 | |
| 16 | R | A | -0.9838 | |
| 17 | V | A | 0.1330 | |
| 18 | C | A | -0.6134 | |
| 19 | R | A | -2.3217 | |
| 20 | D | A | -1.3732 | |
| 21 | M | A | 0.5140 | |
| 22 | I | A | 1.2223 | |
| 23 | T | A | -0.8156 | |
| 24 | R | A | -2.5227 | |
| 25 | R | A | -2.8121 | |
| 26 | S | A | -1.4672 | |
| 27 | L | A | 0.1078 | |
| 28 | G | A | 0.2382 | |
| 29 | Y | A | 1.1734 | |
| 30 | A | A | 0.7845 | |
| 31 | Y | A | 0.8928 | |
| 32 | V | A | 0.9827 | |
| 33 | N | A | -0.6339 | |
| 34 | F | A | -0.7038 | |
| 35 | Q | A | -1.4584 | |
| 36 | Q | A | -2.0307 | |
| 37 | P | A | -1.8683 | |
| 38 | A | A | -1.6771 | |
| 39 | D | A | -2.1453 | |
| 40 | A | A | -1.8874 | |
| 41 | E | A | -2.8488 | |
| 42 | R | A | -2.8587 | |
| 43 | A | A | 0.0000 | |
| 44 | L | A | -1.5986 | |
| 45 | D | A | -2.6317 | |
| 46 | T | A | -1.5735 | |
| 47 | M | A | -0.9336 | |
| 48 | N | A | -0.9857 | |
| 49 | F | A | 0.0000 | |
| 50 | D | A | -0.5595 | |
| 51 | V | A | 0.2904 | |
| 52 | I | A | -0.4626 | |
| 53 | K | A | -1.8675 | |
| 54 | G | A | -1.6269 | |
| 55 | R | A | -2.0932 | |
| 56 | P | A | -1.3419 | |
| 57 | V | A | -0.4273 | |
| 58 | R | A | -0.9541 | |
| 59 | I | A | 0.0580 | |
| 60 | M | A | 0.6969 | |
| 61 | W | A | 0.8209 | |
| 62 | S | A | -0.4182 | |
| 63 | Q | A | -1.7363 | |
| 64 | R | A | -2.8083 | |
| 65 | D | A | -3.2475 | |
| 66 | P | A | -2.4792 | |
| 67 | S | A | -1.7118 | |
| 68 | L | A | -1.2051 | |
| 69 | R | A | -2.5132 | |
| 70 | K | A | -2.5257 | |
| 71 | S | A | -0.9849 | |
| 72 | G | A | -0.8237 | |
| 73 | V | A | -0.0053 | |
| 74 | G | A | 0.0000 | |
| 75 | N | A | -0.5828 | |
| 76 | I | A | 0.0000 | |
| 77 | F | A | 0.0369 | |
| 78 | I | A | 0.0000 | |
| 79 | K | A | -1.6964 | |
| 80 | N | A | -2.2187 | |
| 81 | L | A | 0.0000 | |
| 82 | D | A | -2.8596 | |
| 83 | K | A | -2.8705 | |
| 84 | S | A | -1.8126 | |
| 85 | I | A | 0.0000 | |
| 86 | D | A | -2.7209 | |
| 87 | N | A | 0.0000 | |
| 88 | K | A | -2.9623 | |
| 89 | A | A | -1.9074 | |
| 90 | L | A | 0.0000 | |
| 91 | Y | A | -1.6008 | |
| 92 | D | A | -2.0854 | |
| 93 | T | A | -0.9717 | |
| 94 | F | A | 0.0000 | |
| 95 | S | A | -0.7786 | |
| 96 | A | A | -0.4024 | |
| 97 | F | A | -0.9813 | |
| 98 | G | A | -1.3940 | |
| 99 | N | A | -1.6416 | |
| 100 | I | A | -0.9207 | |
| 101 | L | A | -0.5698 | |
| 102 | S | A | -0.2970 | |
| 103 | C | A | 0.0000 | |
| 104 | K | A | -1.0988 | |
| 105 | V | A | 0.0000 | |
| 106 | V | A | -0.3834 | |
| 107 | C | A | -1.3950 | |
| 108 | D | A | -2.4989 | |
| 109 | E | A | -3.0802 | |
| 110 | N | A | -2.8995 | |
| 111 | G | A | -2.3983 | |
| 112 | S | A | -2.1577 | |
| 113 | K | A | -2.3949 | |
| 114 | G | A | -1.9004 | |
| 115 | Y | A | -0.7798 | |
| 116 | G | A | 0.0000 | |
| 117 | F | A | 0.1395 | |
| 118 | V | A | 0.0000 | |
| 119 | H | A | -0.7748 | |
| 120 | F | A | 0.0000 | |
| 121 | E | A | -2.0240 | |
| 122 | T | A | -1.6898 | |
| 123 | Q | A | -1.9209 | |
| 124 | E | A | -2.7647 | |
| 125 | A | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | -3.2931 | |
| 128 | R | A | -3.6455 | |
| 129 | A | A | 0.0000 | |
| 130 | I | A | -2.5071 | |
| 131 | E | A | -3.5095 | |
| 132 | K | A | -3.1729 | |
| 133 | M | A | 0.0000 | |
| 134 | N | A | -1.5396 | |
| 135 | G | A | -0.6630 | |
| 136 | M | A | -0.0833 | |
| 137 | L | A | -0.1211 | |
| 138 | L | A | -1.0484 | |
| 139 | N | A | -2.4647 | |
| 140 | D | A | -2.7207 | |
| 141 | R | A | -2.8051 | |
| 142 | K | A | -2.2345 | |
| 143 | V | A | 0.0000 | |
| 144 | F | A | 0.2651 | |
| 145 | V | A | 0.0000 | |
| 146 | G | A | -1.0520 | |
| 147 | R | A | -1.6015 | |
| 148 | F | A | -0.9043 | |
| 149 | K | A | -2.7811 | |
| 150 | S | A | -3.2909 | |
| 151 | R | A | -4.1871 | |
| 152 | K | A | -4.2809 | |
| 153 | E | A | -4.2454 | |
| 154 | R | A | -4.0259 | |
| 155 | E | A | -3.2827 | |
| 156 | A | A | -2.4235 | |
| 157 | E | A | -2.5555 | |
| 158 | L | A | -1.2375 | |
| 159 | G | A | -1.5914 | |
| 160 | A | A | -2.0376 | |
| 161 | R | A | -2.8395 | |
| 162 | A | A | -2.0630 | |
| 163 | K | A | -3.1734 | |
| 164 | E | A | -3.9186 | |
| 165 | F | A | -2.9789 | |
| 166 | T | A | -2.6408 | |
| 167 | N | A | -1.5477 | |
| 168 | V | A | 0.0000 | |
| 169 | Y | A | -0.1495 | |
| 170 | V | A | 0.0000 | |
| 171 | K | A | -1.2315 | |
| 172 | N | A | -1.8039 | |
| 173 | F | A | 0.0000 | |
| 174 | G | A | -2.7675 | |
| 175 | E | A | -3.8770 | |
| 176 | D | A | -3.7406 | |
| 177 | M | A | 0.0000 | |
| 178 | D | A | -3.8784 | |
| 179 | E | A | -3.8524 | |
| 180 | E | A | -4.4436 | |
| 181 | K | A | -4.0819 | |
| 182 | L | A | 0.0000 | |
| 183 | R | A | -4.5190 | |
| 184 | D | A | -3.8605 | |
| 185 | V | A | -2.1356 | |
| 186 | F | A | 0.0000 | |
| 187 | S | A | -2.3234 | |
| 188 | K | A | -2.6294 | |
| 189 | Y | A | -2.0112 | |
| 190 | G | A | -2.2927 | |
| 191 | N | A | -2.3939 | |
| 192 | A | A | -1.5609 | |
| 193 | M | A | -0.2282 | |
| 194 | S | A | -0.8118 | |
| 195 | I | A | 0.0000 | |
| 196 | R | A | -2.2392 | |
| 197 | V | A | -1.7830 | |
| 198 | M | A | -1.3342 | |
| 199 | S | A | -3.0037 | |
| 200 | D | A | -3.5013 | |
| 201 | D | A | -3.3139 | |
| 202 | G | A | -2.5272 | |
| 203 | G | A | -2.7287 | |
| 204 | K | A | -4.1741 | |
| 205 | S | A | 0.0000 | |
| 206 | R | A | -3.6833 | |
| 207 | G | A | -2.7686 | |
| 208 | F | A | -1.1339 | |
| 209 | G | A | 0.0000 | |
| 210 | F | A | -0.2018 | |
| 211 | V | A | 0.0000 | |
| 212 | S | A | -1.0892 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -3.2609 | |
| 215 | R | A | -4.0157 | |
| 216 | H | A | -3.7675 | |
| 217 | E | A | -3.6770 | |
| 218 | D | A | -3.3495 | |
| 219 | A | A | 0.0000 | |
| 220 | Q | A | -3.4008 | |
| 221 | K | A | -3.6207 | |
| 222 | A | A | 0.0000 | |
| 223 | V | A | -2.1706 | |
| 224 | D | A | -3.4840 | |
| 225 | D | A | -3.1321 | |
| 226 | L | A | 0.0000 | |
| 227 | N | A | -2.2725 | |
| 228 | G | A | -1.6960 | |
| 229 | K | A | -2.7087 | |
| 230 | E | A | -2.5644 | |
| 231 | F | A | -1.5598 | |
| 232 | N | A | -2.2008 | |
| 233 | G | A | -1.7807 | |
| 234 | K | A | -1.7421 | |
| 235 | L | A | -0.7285 | |
| 236 | I | A | 0.0000 | |
| 237 | Y | A | -0.0774 | |
| 238 | V | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | R | A | -1.1945 | |
| 241 | A | A | -1.1054 | |
| 242 | Q | A | -2.0291 | |
| 243 | K | A | -2.7795 | |
| 244 | K | A | -2.7530 | |
| 245 | V | A | -0.7262 | |
| 246 | E | A | -2.0062 | |
| 247 | R | A | -3.0119 | |
| 248 | Q | A | -2.6993 | |
| 249 | T | A | -2.2581 | |
| 250 | E | A | -2.7857 | |
| 251 | L | A | -0.9276 | |
| 252 | K | A | -2.5337 | |
| 253 | R | A | -2.7589 | |
| 254 | A | A | -0.8075 | |
| 255 | F | A | 0.2893 | |
| 256 | E | A | -2.0628 | |
| 257 | A | A | -1.0248 | |
| 258 | M | A | -0.2704 | |
| 259 | A | A | -1.1574 | |
| 260 | Q | A | -1.8282 | |
| 261 | D | A | -2.1929 | |
| 262 | R | A | -2.5480 | |
| 263 | M | A | -0.9147 | |
| 264 | T | A | -1.5629 | |
| 265 | R | A | -2.0600 | |
| 266 | Y | A | -0.2168 | |
| 267 | Q | A | -1.3594 | |
| 268 | G | A | -0.7868 | |
| 269 | V | A | 0.1762 | |
| 270 | N | A | -0.1495 | |
| 271 | L | A | 0.0000 | |
| 272 | Y | A | 0.1751 | |
| 273 | V | A | 0.0000 | |
| 274 | K | A | -0.9101 | |
| 275 | N | A | -1.4636 | |
| 276 | L | A | 0.0000 | |
| 277 | D | A | -3.2201 | |
| 278 | D | A | -3.5826 | |
| 279 | G | A | -2.6414 | |
| 280 | I | A | -3.0350 | |
| 281 | D | A | -4.2938 | |
| 282 | D | A | -4.3974 | |
| 283 | E | A | -5.2183 | |
| 284 | R | A | -5.1753 | |
| 285 | L | A | 0.0000 | |
| 286 | R | A | -5.0773 | |
| 287 | K | A | -4.6210 | |
| 288 | E | A | -3.7319 | |
| 289 | F | A | 0.0000 | |
| 290 | T | A | -1.8916 | |
| 291 | P | A | -1.2652 | |
| 292 | F | A | -1.0453 | |
| 293 | G | A | 0.0419 | |
| 294 | T | A | 0.4232 | |
| 295 | I | A | 0.0000 | |
| 296 | T | A | 0.3019 | |
| 297 | S | A | -0.6902 | |
| 298 | A | A | -2.4361 | |
| 299 | K | A | -2.3562 | |
| 300 | V | A | 0.0000 | |
| 301 | M | A | -0.7302 | |
| 302 | M | A | -1.1298 | |
| 303 | E | A | -2.3957 | |
| 304 | G | A | -1.9693 | |
| 305 | G | A | -1.9142 | |
| 306 | R | A | -2.9883 | |
| 307 | A | A | -2.4006 | |
| 308 | Q | A | -1.9736 | |
| 309 | G | A | -1.7026 | |
| 310 | F | A | -0.5346 | |
| 311 | A | A | 0.0000 | |
| 312 | F | A | -0.0009 | |
| 313 | V | A | 0.0000 | |
| 314 | C | A | 0.2099 | |
| 315 | F | A | 0.0000 | |
| 316 | L | A | 2.3802 | |
| 317 | V | A | 1.9830 | |
| 318 | P | A | 0.0185 | |
| 319 | G | A | -0.4758 | |
| 320 | G | A | 0.0000 | |
| 321 | G | A | 0.0000 | |
| 322 | H | A | -2.1206 | |
| 323 | K | A | -2.6300 | |
| 324 | A | A | 0.0000 | |
| 325 | V | A | -1.4632 | |
| 326 | T | A | -2.3581 | |
| 327 | E | A | -3.1410 | |
| 328 | M | A | -2.1846 | |
| 329 | K | A | -2.8824 | |
| 330 | R | A | -3.2064 | |
| 331 | P | A | -1.7516 | |
| 332 | H | A | -0.9341 | |
| 333 | V | A | 1.0067 | |
| 334 | A | A | 0.3479 | |
| 335 | T | A | -0.0646 | |
| 336 | A | A | -0.2248 | |
| 337 | P | A | -0.5809 | |
| 338 | L | A | -0.4390 | |
| 339 | Y | A | 0.6886 | |
| 340 | V | A | 0.0000 | |
| 341 | A | A | -0.3542 | |
| 342 | S | A | -1.2193 | |
| 343 | P | A | -1.8759 | |
| 344 | K | A | -3.4151 | |
| 345 | R | A | -4.1113 | |
| 346 | K | A | -4.0195 | |
| 347 | R | A | -3.7838 | |
| 348 | S | A | -2.3913 | |
| 349 | A | A | -1.7780 | |
| 350 | K | A | -2.1418 | |
| 351 | P | A | -1.1302 | |
| 352 | T | A | -0.6348 |
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