| Chain sequence(s) |
A: MVEEGGVVVNQGGDQEVVDLPPGFRFHPTDEEIITHYLKEKVFNIRFTAAAIGQADLNKNEPWDLPKIAKMGEKEFYFFCQRDRKYPTGMRTNRATVSGYWKATGKDKEIFRGKGCLVGMKKTLVFYTGRAPKGEKTNWVMHEYRLDGKYSYHNLPKTARDEWVVCRVFHKNAPSTTITTTKQLSRIDSLDNIDHLLDFSSLPPLIDPGFLGQPGPSFSGARQQHDLKPVLHHPTTAPVDNTYLPTQALNFPYHSVHNSGSDFGYGAGSGNNNKGMIKLEHSLVSVSQETGLSSDVNTTATPEISSYPMMMNPAMMDGSKSACDGLDDLIFWEDLYTS
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. (00:00:00)
[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 | 1.5422 | |
| 2 | V | A | 0.9716 | |
| 3 | E | A | -1.8368 | |
| 4 | E | A | -2.5412 | |
| 5 | G | A | -1.3885 | |
| 6 | G | A | 0.5112 | |
| 7 | V | A | 2.4133 | |
| 8 | V | A | 2.8310 | |
| 9 | V | A | 2.0466 | |
| 10 | N | A | -0.5050 | |
| 11 | Q | A | -1.7300 | |
| 12 | G | A | -2.0705 | |
| 13 | G | A | -2.6004 | |
| 14 | D | A | -3.2755 | |
| 15 | Q | A | -2.6224 | |
| 16 | E | A | -2.2131 | |
| 17 | V | A | 0.2679 | |
| 18 | V | A | 0.4577 | |
| 19 | D | A | -0.5459 | |
| 20 | L | A | 0.4972 | |
| 21 | P | A | -0.0310 | |
| 22 | P | A | -0.2735 | |
| 23 | G | A | -0.0530 | |
| 24 | F | A | 0.6567 | |
| 25 | R | A | -1.3055 | |
| 26 | F | A | -0.7382 | |
| 27 | H | A | -1.3293 | |
| 28 | P | A | -1.1749 | |
| 29 | T | A | -0.8813 | |
| 30 | D | A | -1.2706 | |
| 31 | E | A | -1.4013 | |
| 32 | E | A | -1.7500 | |
| 33 | I | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | T | A | 0.0000 | |
| 36 | H | A | -1.4712 | |
| 37 | Y | A | -0.7076 | |
| 38 | L | A | 0.0000 | |
| 39 | K | A | -0.5985 | |
| 40 | E | A | -0.5777 | |
| 41 | K | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | F | A | 0.7348 | |
| 44 | N | A | -0.1558 | |
| 45 | I | A | 0.6339 | |
| 46 | R | A | -0.9610 | |
| 47 | F | A | -0.1742 | |
| 48 | T | A | -0.3969 | |
| 49 | A | A | -0.5050 | |
| 50 | A | A | -0.4835 | |
| 51 | A | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | Q | A | -1.4332 | |
| 55 | A | A | -1.2543 | |
| 56 | D | A | -2.0872 | |
| 57 | L | A | -1.5774 | |
| 58 | N | A | -1.3812 | |
| 59 | K | A | -1.9139 | |
| 60 | N | A | -1.0126 | |
| 61 | E | A | -0.4280 | |
| 62 | P | A | 0.0000 | |
| 63 | W | A | -0.0833 | |
| 64 | D | A | -0.8117 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | -1.2712 | |
| 67 | K | A | -1.3015 | |
| 68 | I | A | -0.1090 | |
| 69 | A | A | -0.8969 | |
| 70 | K | A | -1.2648 | |
| 71 | M | A | -1.0493 | |
| 72 | G | A | -2.1383 | |
| 73 | E | A | -3.0078 | |
| 74 | K | A | -3.1624 | |
| 75 | E | A | -1.9891 | |
| 76 | F | A | 0.0000 | |
| 77 | Y | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | C | A | 0.0000 | |
| 81 | Q | A | -2.2417 | |
| 82 | R | A | -2.3255 | |
| 83 | D | A | -2.7070 | |
| 84 | R | A | -2.6632 | |
| 85 | K | A | -2.3866 | |
| 86 | Y | A | -0.4082 | |
| 87 | P | A | -0.5278 | |
| 88 | T | A | -0.2421 | |
| 89 | G | A | -0.4326 | |
| 90 | M | A | -0.4146 | |
| 91 | R | A | -2.2415 | |
| 92 | T | A | -2.1428 | |
| 93 | N | A | -2.0426 | |
| 94 | R | A | -1.7427 | |
| 95 | A | A | -0.5776 | |
| 96 | T | A | 0.0000 | |
| 97 | V | A | 1.0868 | |
| 98 | S | A | 0.3835 | |
| 99 | G | A | 0.0000 | |
| 100 | Y | A | -0.9076 | |
| 101 | W | A | 0.0000 | |
| 102 | K | A | -1.8016 | |
| 103 | A | A | -1.2171 | |
| 104 | T | A | -1.1175 | |
| 105 | G | A | -1.6403 | |
| 106 | K | A | -2.7591 | |
| 107 | D | A | -2.5602 | |
| 108 | K | A | -3.0632 | |
| 109 | E | A | -2.3919 | |
| 110 | I | A | 0.0000 | |
| 111 | F | A | -0.5187 | |
| 112 | R | A | -1.6119 | |
| 113 | G | A | -1.6479 | |
| 114 | K | A | -2.0950 | |
| 115 | G | A | -1.1036 | |
| 116 | C | A | -0.7339 | |
| 117 | L | A | -0.5976 | |
| 118 | V | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | M | A | -1.2957 | |
| 121 | K | A | -1.7928 | |
| 122 | K | A | -1.5289 | |
| 123 | T | A | -1.1882 | |
| 124 | L | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | F | A | 0.0000 | |
| 127 | Y | A | -2.1182 | |
| 128 | T | A | -1.5043 | |
| 129 | G | A | -1.9066 | |
| 130 | R | A | -2.4931 | |
| 131 | A | A | -2.0326 | |
| 132 | P | A | -1.9221 | |
| 133 | K | A | -2.9987 | |
| 134 | G | A | -3.0450 | |
| 135 | E | A | -3.3255 | |
| 136 | K | A | -3.0392 | |
| 137 | T | A | -1.7965 | |
| 138 | N | A | -1.8669 | |
| 139 | W | A | -1.0632 | |
| 140 | V | A | 0.0000 | |
| 141 | M | A | 0.0000 | |
| 142 | H | A | -0.3974 | |
| 143 | E | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | R | A | -0.4873 | |
| 146 | L | A | 0.0000 | |
| 147 | D | A | -1.1046 | |
| 148 | G | A | -1.1695 | |
| 149 | K | A | -1.9830 | |
| 150 | Y | A | -1.2537 | |
| 151 | S | A | -1.2393 | |
| 152 | Y | A | -1.5431 | |
| 153 | H | A | -1.9576 | |
| 154 | N | A | -2.2558 | |
| 155 | L | A | -1.3912 | |
| 156 | P | A | -1.4241 | |
| 157 | K | A | -2.6276 | |
| 158 | T | A | -1.2889 | |
| 159 | A | A | -1.3786 | |
| 160 | R | A | -2.2864 | |
| 161 | D | A | -1.6766 | |
| 162 | E | A | -1.7207 | |
| 163 | W | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | C | A | 0.0000 | |
| 167 | R | A | -0.3457 | |
| 168 | V | A | 0.0000 | |
| 169 | F | A | -1.4456 | |
| 170 | H | A | -2.0393 | |
| 171 | K | A | -2.9286 | |
| 172 | N | A | -2.5591 | |
| 173 | A | A | -1.4230 | |
| 174 | P | A | -0.9303 | |
| 175 | S | A | -0.2570 | |
| 176 | T | A | 0.3273 | |
| 177 | T | A | 0.7487 | |
| 178 | I | A | 1.8527 | |
| 179 | T | A | 0.5994 | |
| 180 | T | A | 0.0203 | |
| 181 | T | A | -0.7116 | |
| 182 | K | A | -2.0244 | |
| 183 | Q | A | -1.5390 | |
| 184 | L | A | 0.2858 | |
| 185 | S | A | -0.6275 | |
| 186 | R | A | -1.1541 | |
| 187 | I | A | 0.5210 | |
| 188 | D | A | -1.2989 | |
| 189 | S | A | -0.7806 | |
| 190 | L | A | 0.4262 | |
| 191 | D | A | -1.7442 | |
| 192 | N | A | -1.2636 | |
| 193 | I | A | 0.7667 | |
| 194 | D | A | -1.4577 | |
| 195 | H | A | -0.5714 | |
| 196 | L | A | 1.4741 | |
| 197 | L | A | 1.5563 | |
| 198 | D | A | -0.1784 | |
| 199 | F | A | 1.8468 | |
| 200 | S | A | 0.6207 | |
| 201 | S | A | 0.5057 | |
| 202 | L | A | 1.6614 | |
| 203 | P | A | 0.9736 | |
| 204 | P | A | 1.1074 | |
| 205 | L | A | 2.0707 | |
| 206 | I | A | 1.6367 | |
| 207 | D | A | -0.4747 | |
| 208 | P | A | 0.0903 | |
| 209 | G | A | 0.5358 | |
| 210 | F | A | 1.9550 | |
| 211 | L | A | 1.7939 | |
| 212 | G | A | 0.0466 | |
| 213 | Q | A | -1.0879 | |
| 214 | P | A | -1.1185 | |
| 215 | G | A | -1.0305 | |
| 216 | P | A | -0.2832 | |
| 217 | S | A | 0.5226 | |
| 218 | F | A | 1.5745 | |
| 219 | S | A | 0.2733 | |
| 220 | G | A | -0.6860 | |
| 221 | A | A | -1.3901 | |
| 222 | R | A | -2.9916 | |
| 223 | Q | A | -3.0602 | |
| 224 | Q | A | -3.1434 | |
| 225 | H | A | -2.6397 | |
| 226 | D | A | -2.1207 | |
| 227 | L | A | -0.4543 | |
| 228 | K | A | -1.0880 | |
| 229 | P | A | 0.3476 | |
| 230 | V | A | 1.8210 | |
| 231 | L | A | 1.6479 | |
| 232 | H | A | -0.4002 | |
| 233 | H | A | -1.2681 | |
| 234 | P | A | -1.0258 | |
| 235 | T | A | -0.4572 | |
| 236 | T | A | -0.2902 | |
| 237 | A | A | 0.1178 | |
| 238 | P | A | 0.0419 | |
| 239 | V | A | 0.4653 | |
| 240 | D | A | -1.6194 | |
| 241 | N | A | -1.2871 | |
| 242 | T | A | -0.0216 | |
| 243 | Y | A | 1.7413 | |
| 244 | L | A | 1.8153 | |
| 245 | P | A | 0.4836 | |
| 246 | T | A | -0.2652 | |
| 247 | Q | A | -0.8495 | |
| 248 | A | A | 0.0437 | |
| 249 | L | A | 1.0936 | |
| 250 | N | A | 0.3596 | |
| 251 | F | A | 1.8986 | |
| 252 | P | A | 0.9000 | |
| 253 | Y | A | 1.1660 | |
| 254 | H | A | -0.1647 | |
| 255 | S | A | 0.0456 | |
| 256 | V | A | 0.7234 | |
| 257 | H | A | -0.9608 | |
| 258 | N | A | -1.5426 | |
| 259 | S | A | -1.3431 | |
| 260 | G | A | -1.3963 | |
| 261 | S | A | -1.1059 | |
| 262 | D | A | -1.2056 | |
| 263 | F | A | 1.0953 | |
| 264 | G | A | 0.6721 | |
| 265 | Y | A | 1.2937 | |
| 266 | G | A | -0.0106 | |
| 267 | A | A | -0.1491 | |
| 268 | G | A | -0.7426 | |
| 269 | S | A | -0.9042 | |
| 270 | G | A | -1.5480 | |
| 271 | N | A | -2.4707 | |
| 272 | N | A | -3.0749 | |
| 273 | N | A | -3.1253 | |
| 274 | K | A | -2.5888 | |
| 275 | G | A | -0.6018 | |
| 276 | M | A | 1.1655 | |
| 277 | I | A | 1.9064 | |
| 278 | K | A | -0.2323 | |
| 279 | L | A | 0.0778 | |
| 280 | E | A | -1.8402 | |
| 281 | H | A | -1.2067 | |
| 282 | S | A | 0.1917 | |
| 283 | L | A | 1.8218 | |
| 284 | V | A | 2.6265 | |
| 285 | S | A | 1.8198 | |
| 286 | V | A | 1.6636 | |
| 287 | S | A | -0.1710 | |
| 288 | Q | A | -1.7763 | |
| 289 | E | A | -2.5825 | |
| 290 | T | A | -1.1744 | |
| 291 | G | A | -0.2047 | |
| 292 | L | A | 1.1618 | |
| 293 | S | A | -0.0749 | |
| 294 | S | A | -0.4808 | |
| 295 | D | A | -1.3738 | |
| 296 | V | A | 0.2173 | |
| 297 | N | A | -0.8946 | |
| 298 | T | A | -0.3228 | |
| 299 | T | A | -0.3873 | |
| 300 | A | A | -0.0828 | |
| 301 | T | A | -0.5824 | |
| 302 | P | A | -0.7679 | |
| 303 | E | A | -0.9692 | |
| 304 | I | A | 0.8721 | |
| 305 | S | A | 0.5697 | |
| 306 | S | A | 0.7158 | |
| 307 | Y | A | 1.2417 | |
| 308 | P | A | 1.0401 | |
| 309 | M | A | 1.9846 | |
| 310 | M | A | 1.8282 | |
| 311 | M | A | 1.0663 | |
| 312 | N | A | -0.6277 | |
| 313 | P | A | -0.3942 | |
| 314 | A | A | 0.3960 | |
| 315 | M | A | 1.1803 | |
| 316 | M | A | 0.5330 | |
| 317 | D | A | -1.2739 | |
| 318 | G | A | -1.5506 | |
| 319 | S | A | -1.6989 | |
| 320 | K | A | -1.9934 | |
| 321 | S | A | -0.9378 | |
| 322 | A | A | -0.5084 | |
| 323 | C | A | -0.2634 | |
| 324 | D | A | -1.5324 | |
| 325 | G | A | -0.9808 | |
| 326 | L | A | -0.1949 | |
| 327 | D | A | -1.4980 | |
| 328 | D | A | -0.8402 | |
| 329 | L | A | 1.9291 | |
| 330 | I | A | 3.0614 | |
| 331 | F | A | 3.0185 | |
| 332 | W | A | 1.6504 | |
| 333 | E | A | -1.0231 | |
| 334 | D | A | -1.1358 | |
| 335 | L | A | 1.0102 | |
| 336 | Y | A | 1.5732 | |
| 337 | T | A | 0.6424 | |
| 338 | S | A | 0.0518 |
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