| Chain sequence(s) |
A: MDHVYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASLTPQSPEGIDVAYKNLLQEIAQKESSLLPFYATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNGNSNQTGSPTLPSERQEDVNSNVKSSPQEIHSQPSSKVVMTPDTPSKGIKVNEDEFPDLHDAPASNAKEINVALNEPENPTNDGTLSALTTDGMKMNIASSSLPIPHNPTNVITLNAPAANGIKRNIAACSSWMPQNPTNDGSETSSCVVDESEKKKLIMGTGHLSIPTGQHVVCRPWNPEITLPQDAEMLFRDDKFIAYRLVKP
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. (00:00:03)
|
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 | 0.1841 | |
| 2 | D | A | -1.5086 | |
| 3 | H | A | -1.1392 | |
| 4 | V | A | 0.3970 | |
| 5 | Y | A | -0.3855 | |
| 6 | K | A | -1.1610 | |
| 7 | G | A | -0.9125 | |
| 8 | Q | A | -0.7875 | |
| 9 | L | A | 0.0000 | |
| 10 | Q | A | -0.4528 | |
| 11 | A | A | -0.3669 | |
| 12 | Y | A | -0.0810 | |
| 13 | A | A | 0.0000 | |
| 14 | L | A | 0.3944 | |
| 15 | Q | A | -0.8500 | |
| 16 | H | A | -1.1051 | |
| 17 | N | A | -1.1037 | |
| 18 | L | A | -0.3965 | |
| 19 | E | A | -0.7465 | |
| 20 | L | A | 1.1073 | |
| 21 | P | A | 0.9417 | |
| 22 | V | A | 1.8302 | |
| 23 | Y | A | 0.8668 | |
| 24 | A | A | -0.3792 | |
| 25 | N | A | -2.0145 | |
| 26 | E | A | -2.7769 | |
| 27 | R | A | -3.3590 | |
| 28 | E | A | -2.8055 | |
| 29 | G | A | -1.7746 | |
| 30 | P | A | -1.3249 | |
| 31 | P | A | -1.1474 | |
| 32 | H | A | -1.3166 | |
| 33 | A | A | -1.1191 | |
| 34 | P | A | -1.5975 | |
| 35 | R | A | -2.3286 | |
| 36 | F | A | -2.0346 | |
| 37 | R | A | -2.0683 | |
| 38 | C | A | 0.0000 | |
| 39 | N | A | -0.5414 | |
| 40 | V | A | 0.0000 | |
| 41 | T | A | 0.3997 | |
| 42 | F | A | 0.0000 | |
| 43 | C | A | 0.0100 | |
| 44 | G | A | -0.6702 | |
| 45 | Q | A | -0.6982 | |
| 46 | T | A | -0.0135 | |
| 47 | F | A | -0.2174 | |
| 48 | Q | A | -0.8779 | |
| 49 | S | A | 0.0000 | |
| 50 | S | A | -1.2503 | |
| 51 | E | A | -1.7636 | |
| 52 | F | A | -1.0378 | |
| 53 | F | A | -0.5768 | |
| 54 | P | A | -0.6103 | |
| 55 | T | A | -0.6419 | |
| 56 | L | A | -0.9046 | |
| 57 | K | A | -1.7469 | |
| 58 | S | A | -0.7799 | |
| 59 | A | A | 0.0000 | |
| 60 | E | A | 0.0000 | |
| 61 | H | A | -0.9601 | |
| 62 | A | A | -0.8752 | |
| 63 | A | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | K | A | -0.9593 | |
| 66 | I | A | 0.2400 | |
| 67 | A | A | 0.0000 | |
| 68 | V | A | -0.0298 | |
| 69 | A | A | -0.0591 | |
| 70 | S | A | -0.4426 | |
| 71 | L | A | 0.0286 | |
| 72 | T | A | -0.3006 | |
| 73 | P | A | -1.0670 | |
| 74 | Q | A | -1.5427 | |
| 75 | S | A | -1.3268 | |
| 76 | P | A | -1.4326 | |
| 77 | E | A | -2.2025 | |
| 78 | G | A | -0.9735 | |
| 79 | I | A | 0.0000 | |
| 80 | D | A | -0.3611 | |
| 81 | V | A | 1.0993 | |
| 82 | A | A | 0.1933 | |
| 83 | Y | A | 0.0000 | |
| 84 | K | A | -0.8255 | |
| 85 | N | A | -1.3076 | |
| 86 | L | A | -1.0112 | |
| 87 | L | A | 0.0000 | |
| 88 | Q | A | -1.9860 | |
| 89 | E | A | -2.9854 | |
| 90 | I | A | -1.8385 | |
| 91 | A | A | 0.0000 | |
| 92 | Q | A | -2.5446 | |
| 93 | K | A | -3.3047 | |
| 94 | E | A | -2.3125 | |
| 95 | S | A | -1.2466 | |
| 96 | S | A | -0.0728 | |
| 97 | L | A | 1.8950 | |
| 98 | L | A | 2.0207 | |
| 99 | P | A | 1.3942 | |
| 100 | F | A | 2.5257 | |
| 101 | Y | A | 1.2251 | |
| 102 | A | A | 0.3815 | |
| 103 | T | A | -0.4629 | |
| 104 | A | A | -0.3578 | |
| 105 | T | A | -0.7977 | |
| 106 | S | A | -0.6678 | |
| 107 | G | A | -1.0288 | |
| 108 | P | A | -0.9019 | |
| 109 | S | A | -0.9327 | |
| 110 | H | A | -1.2383 | |
| 111 | A | A | -1.0728 | |
| 112 | P | A | -1.2266 | |
| 113 | T | A | -1.6207 | |
| 114 | F | A | -1.7775 | |
| 115 | T | A | -1.7286 | |
| 116 | S | A | 0.0000 | |
| 117 | T | A | 0.3438 | |
| 118 | V | A | 0.0000 | |
| 119 | E | A | 0.2099 | |
| 120 | F | A | 0.0000 | |
| 121 | A | A | -0.0158 | |
| 122 | G | A | -0.8934 | |
| 123 | K | A | -1.3444 | |
| 124 | V | A | 0.6991 | |
| 125 | F | A | 0.3596 | |
| 126 | S | A | -0.4371 | |
| 127 | G | A | -1.0710 | |
| 128 | E | A | -2.5195 | |
| 129 | E | A | -3.0980 | |
| 130 | A | A | -2.4314 | |
| 131 | K | A | -2.4526 | |
| 132 | T | A | -2.0780 | |
| 133 | K | A | -2.6250 | |
| 134 | K | A | -2.0941 | |
| 135 | L | A | -1.5207 | |
| 136 | A | A | 0.0000 | |
| 137 | E | A | -1.3880 | |
| 138 | M | A | -0.6000 | |
| 139 | S | A | -1.1248 | |
| 140 | A | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | K | A | -0.3294 | |
| 143 | V | A | 0.1314 | |
| 144 | A | A | 0.0000 | |
| 145 | F | A | -0.2383 | |
| 146 | M | A | -0.5713 | |
| 147 | S | A | -1.0926 | |
| 148 | I | A | -1.3335 | |
| 149 | K | A | -2.5520 | |
| 150 | N | A | -2.8389 | |
| 151 | G | A | -2.7254 | |
| 152 | N | A | -3.0690 | |
| 153 | S | A | -2.5400 | |
| 154 | N | A | -2.7645 | |
| 155 | Q | A | -2.3797 | |
| 156 | T | A | -1.3045 | |
| 157 | G | A | -1.0883 | |
| 158 | S | A | -0.7626 | |
| 159 | P | A | -0.1510 | |
| 160 | T | A | 0.3941 | |
| 161 | L | A | 1.2619 | |
| 162 | P | A | 0.0763 | |
| 163 | S | A | -1.4321 | |
| 164 | E | A | -3.3089 | |
| 165 | R | A | -3.7517 | |
| 166 | Q | A | -3.8732 | |
| 167 | E | A | -3.6013 | |
| 168 | D | A | -2.2718 | |
| 169 | V | A | -0.1573 | |
| 170 | N | A | -1.1507 | |
| 171 | S | A | -0.7712 | |
| 172 | N | A | -1.1497 | |
| 173 | V | A | 0.1837 | |
| 174 | K | A | -1.1885 | |
| 175 | S | A | -0.8542 | |
| 176 | S | A | -1.0222 | |
| 177 | P | A | -1.3846 | |
| 178 | Q | A | -1.8249 | |
| 179 | E | A | -1.7155 | |
| 180 | I | A | 0.3217 | |
| 181 | H | A | -0.7253 | |
| 182 | S | A | -1.0057 | |
| 183 | Q | A | -1.6864 | |
| 184 | P | A | -1.0077 | |
| 185 | S | A | -1.0717 | |
| 186 | S | A | -0.7974 | |
| 187 | K | A | -0.5649 | |
| 188 | V | A | 1.9563 | |
| 189 | V | A | 2.7082 | |
| 190 | M | A | 2.1547 | |
| 191 | T | A | 0.3914 | |
| 192 | P | A | -0.9481 | |
| 193 | D | A | -2.0138 | |
| 194 | T | A | -1.1696 | |
| 195 | P | A | -1.0820 | |
| 196 | S | A | -1.2663 | |
| 197 | K | A | -1.8515 | |
| 198 | G | A | -0.6656 | |
| 199 | I | A | 0.8568 | |
| 200 | K | A | -0.6805 | |
| 201 | V | A | 0.0642 | |
| 202 | N | A | -1.9662 | |
| 203 | E | A | -3.2210 | |
| 204 | D | A | -3.3003 | |
| 205 | E | A | -2.1858 | |
| 206 | F | A | -0.0622 | |
| 207 | P | A | -0.2543 | |
| 208 | D | A | -0.9169 | |
| 209 | L | A | -0.2346 | |
| 210 | H | A | -1.5145 | |
| 211 | D | A | -2.0078 | |
| 212 | A | A | -1.1335 | |
| 213 | P | A | -0.6410 | |
| 214 | A | A | -0.4347 | |
| 215 | S | A | -0.8790 | |
| 216 | N | A | -1.6657 | |
| 217 | A | A | -1.8340 | |
| 218 | K | A | -2.5703 | |
| 219 | E | A | -2.0245 | |
| 220 | I | A | 0.4927 | |
| 221 | N | A | 0.0044 | |
| 222 | V | A | 1.9009 | |
| 223 | A | A | 1.1503 | |
| 224 | L | A | 0.9655 | |
| 225 | N | A | -1.4762 | |
| 226 | E | A | -2.6749 | |
| 227 | P | A | -2.6810 | |
| 228 | E | A | -2.9935 | |
| 229 | N | A | -2.3447 | |
| 230 | P | A | -1.6386 | |
| 231 | T | A | -1.5172 | |
| 232 | N | A | -2.3271 | |
| 233 | D | A | -2.6600 | |
| 234 | G | A | -1.3331 | |
| 235 | T | A | -0.0140 | |
| 236 | L | A | 1.4584 | |
| 237 | S | A | 0.9777 | |
| 238 | A | A | 1.0151 | |
| 239 | L | A | 1.4513 | |
| 240 | T | A | 0.2692 | |
| 241 | T | A | -0.7759 | |
| 242 | D | A | -1.7203 | |
| 243 | G | A | -1.3421 | |
| 244 | M | A | -0.1712 | |
| 245 | K | A | -1.0540 | |
| 246 | M | A | 0.1811 | |
| 247 | N | A | -0.0998 | |
| 248 | I | A | 1.6069 | |
| 249 | A | A | 0.6326 | |
| 250 | S | A | 0.0996 | |
| 251 | S | A | -0.0954 | |
| 252 | S | A | 0.3221 | |
| 253 | L | A | 1.7068 | |
| 254 | P | A | 1.4796 | |
| 255 | I | A | 1.8834 | |
| 256 | P | A | 0.0316 | |
| 257 | H | A | -1.3484 | |
| 258 | N | A | -2.0921 | |
| 259 | P | A | -1.1929 | |
| 260 | T | A | -0.3831 | |
| 261 | N | A | -0.1509 | |
| 262 | V | A | 2.2402 | |
| 263 | I | A | 2.7517 | |
| 264 | T | A | 1.6390 | |
| 265 | L | A | 1.6429 | |
| 266 | N | A | -0.3257 | |
| 267 | A | A | -0.2742 | |
| 268 | P | A | -0.4800 | |
| 269 | A | A | -0.3770 | |
| 270 | A | A | -0.4924 | |
| 271 | N | A | -1.0132 | |
| 272 | G | A | -0.6835 | |
| 273 | I | A | 0.2053 | |
| 274 | K | A | -1.9975 | |
| 275 | R | A | -2.4493 | |
| 276 | N | A | -1.5009 | |
| 277 | I | A | 1.1162 | |
| 278 | A | A | 0.6152 | |
| 279 | A | A | 0.7023 | |
| 280 | C | A | 0.8428 | |
| 281 | S | A | 0.4356 | |
| 282 | S | A | 0.7626 | |
| 283 | W | A | 1.4685 | |
| 284 | M | A | 1.1955 | |
| 285 | P | A | -0.3260 | |
| 286 | Q | A | -1.7987 | |
| 287 | N | A | -2.0640 | |
| 288 | P | A | -1.4760 | |
| 289 | T | A | -1.5335 | |
| 290 | N | A | -2.3157 | |
| 291 | D | A | -2.6972 | |
| 292 | G | A | -2.1203 | |
| 293 | S | A | -1.8306 | |
| 294 | E | A | -2.1161 | |
| 295 | T | A | -1.1585 | |
| 296 | S | A | -0.5747 | |
| 297 | S | A | 0.4226 | |
| 298 | C | A | 1.7271 | |
| 299 | V | A | 2.5345 | |
| 300 | V | A | 1.4936 | |
| 301 | D | A | -1.5751 | |
| 302 | E | A | -3.1659 | |
| 303 | S | A | -2.9115 | |
| 304 | E | A | -4.2369 | |
| 305 | K | A | -4.1963 | |
| 306 | K | A | -3.6794 | |
| 307 | K | A | -2.5300 | |
| 308 | L | A | -0.0285 | |
| 309 | I | A | 1.8862 | |
| 310 | M | A | 1.3991 | |
| 311 | G | A | 0.7691 | |
| 312 | T | A | 0.0256 | |
| 313 | G | A | -0.3971 | |
| 314 | H | A | -0.1964 | |
| 315 | L | A | 1.5065 | |
| 316 | S | A | 1.1380 | |
| 317 | I | A | 2.0135 | |
| 318 | P | A | 0.4202 | |
| 319 | T | A | -0.2932 | |
| 320 | G | A | -0.8992 | |
| 321 | Q | A | -0.9562 | |
| 322 | H | A | -0.8835 | |
| 323 | V | A | 0.3376 | |
| 324 | V | A | 0.3476 | |
| 325 | C | A | 0.5521 | |
| 326 | R | A | -0.9958 | |
| 327 | P | A | -1.1166 | |
| 328 | W | A | -1.4382 | |
| 329 | N | A | -1.9582 | |
| 330 | P | A | -1.5659 | |
| 331 | E | A | -2.0302 | |
| 332 | I | A | -1.0140 | |
| 333 | T | A | -1.2335 | |
| 334 | L | A | -0.8883 | |
| 335 | P | A | -0.8971 | |
| 336 | Q | A | -1.9974 | |
| 337 | D | A | -2.0925 | |
| 338 | A | A | -0.8106 | |
| 339 | E | A | -0.4545 | |
| 340 | M | A | 0.6704 | |
| 341 | L | A | 1.0034 | |
| 342 | F | A | 1.2832 | |
| 343 | R | A | 0.0903 | |
| 344 | D | A | -1.3758 | |
| 345 | D | A | -2.5689 | |
| 346 | K | A | -2.4292 | |
| 347 | F | A | -0.3720 | |
| 348 | I | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | Y | A | 0.0000 | |
| 351 | R | A | 0.2086 | |
| 352 | L | A | 0.1787 | |
| 353 | V | A | -0.1979 | |
| 354 | K | A | -1.2699 | |
| 355 | P | A | -0.9218 |
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