| Chain sequence(s) |
A: MKTLLILTILAMAITIGTANIQVDPSGQVQWLQQQLVPQLQQPLSQQPQQTFPQPQQTFPHQPQQQVPQPQQPQQPFLQPQQPFPQQPQQPFPQTQQPQQPFPQQPQQPFPQTQQPQQPFPQQPQQPFPQTQQPQQPFPQLQQPQQPFPQPQQQLPQPQQPQQSFPQQQRPFIQPSLQQQLNPCKNILLQQSKPASLVSSLWSIIWPQSDCQVMRQQCCQQLAQIPQQLQCAAIHSVVHSIIMQQQQQQQQQQGIDIFLPLSQHEQVGQGSLVQGQGIIQPQQPAQLEAIRSLVLQTLPSMCNVYVPPECSIMRAPFASIVAGIGGQ
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 | 1.2973 | |
| 2 | K | A | 0.3661 | |
| 3 | T | A | 1.6606 | |
| 4 | L | A | 3.4577 | |
| 5 | L | A | 4.1054 | |
| 6 | I | A | 4.7689 | |
| 7 | L | A | 4.5775 | |
| 8 | T | A | 3.9480 | |
| 9 | I | A | 4.8508 | |
| 10 | L | A | 4.4564 | |
| 11 | A | A | 3.0782 | |
| 12 | M | A | 3.1857 | |
| 13 | A | A | 2.7884 | |
| 14 | I | A | 3.0366 | |
| 15 | T | A | 1.9853 | |
| 16 | I | A | 2.3812 | |
| 17 | G | A | 0.5903 | |
| 18 | T | A | 0.0836 | |
| 19 | A | A | -0.0305 | |
| 20 | N | A | -0.4681 | |
| 21 | I | A | 1.1185 | |
| 22 | Q | A | -0.2840 | |
| 23 | V | A | 0.4516 | |
| 24 | D | A | -1.4514 | |
| 25 | P | A | -1.0460 | |
| 26 | S | A | -0.9526 | |
| 27 | G | A | -0.7667 | |
| 28 | Q | A | -0.5858 | |
| 29 | V | A | 0.7714 | |
| 30 | Q | A | -0.6840 | |
| 31 | W | A | 0.5643 | |
| 32 | L | A | 1.1994 | |
| 33 | Q | A | -0.3707 | |
| 34 | Q | A | -0.6840 | |
| 35 | Q | A | -0.3615 | |
| 36 | L | A | 1.3269 | |
| 37 | V | A | 1.2821 | |
| 38 | P | A | 0.2598 | |
| 39 | Q | A | -0.1241 | |
| 40 | L | A | 0.1474 | |
| 41 | Q | A | -1.0711 | |
| 42 | Q | A | -1.1796 | |
| 43 | P | A | -0.4586 | |
| 44 | L | A | 0.2387 | |
| 45 | S | A | -0.7271 | |
| 46 | Q | A | -1.7179 | |
| 47 | Q | A | -2.2255 | |
| 48 | P | A | -2.1334 | |
| 49 | Q | A | -2.1479 | |
| 50 | Q | A | -1.5419 | |
| 51 | T | A | -0.3521 | |
| 52 | F | A | 0.9145 | |
| 53 | P | A | -0.3015 | |
| 54 | Q | A | -1.3907 | |
| 55 | P | A | -1.5771 | |
| 56 | Q | A | -2.0180 | |
| 57 | Q | A | -1.5461 | |
| 58 | T | A | -0.2982 | |
| 59 | F | A | 0.9172 | |
| 60 | P | A | -0.2779 | |
| 61 | H | A | -1.4146 | |
| 62 | Q | A | -2.0315 | |
| 63 | P | A | -2.0888 | |
| 64 | Q | A | -2.3872 | |
| 65 | Q | A | -2.1422 | |
| 66 | Q | A | -1.4457 | |
| 67 | V | A | 0.3442 | |
| 68 | P | A | -0.5769 | |
| 69 | Q | A | -1.5707 | |
| 70 | P | A | -1.5572 | |
| 71 | Q | A | -2.3814 | |
| 72 | Q | A | -2.4947 | |
| 73 | P | A | -1.9491 | |
| 74 | Q | A | -2.1281 | |
| 75 | Q | A | -1.4621 | |
| 76 | P | A | 0.0791 | |
| 77 | F | A | 1.8031 | |
| 78 | L | A | 1.5200 | |
| 79 | Q | A | -0.5309 | |
| 80 | P | A | -1.1539 | |
| 81 | Q | A | -1.8656 | |
| 82 | Q | A | -1.6599 | |
| 83 | P | A | -0.4180 | |
| 84 | F | A | 0.8213 | |
| 85 | P | A | -0.4426 | |
| 86 | Q | A | -1.6409 | |
| 87 | Q | A | -2.1884 | |
| 88 | P | A | -2.0800 | |
| 89 | Q | A | -2.1636 | |
| 90 | Q | A | -1.6539 | |
| 91 | P | A | -0.4492 | |
| 92 | F | A | 0.8939 | |
| 93 | P | A | -0.2942 | |
| 94 | Q | A | -1.3737 | |
| 95 | T | A | -1.4282 | |
| 96 | Q | A | -2.4263 | |
| 97 | Q | A | -2.5870 | |
| 98 | P | A | -2.1171 | |
| 99 | Q | A | -2.1921 | |
| 100 | Q | A | -1.6778 | |
| 101 | P | A | -0.4851 | |
| 102 | F | A | 0.7105 | |
| 103 | P | A | -0.5021 | |
| 104 | Q | A | -1.6264 | |
| 105 | Q | A | -2.1958 | |
| 106 | P | A | -2.1409 | |
| 107 | Q | A | -2.1781 | |
| 108 | Q | A | -1.6697 | |
| 109 | P | A | -0.4700 | |
| 110 | F | A | 0.8598 | |
| 111 | P | A | -0.2965 | |
| 112 | Q | A | -1.3426 | |
| 113 | T | A | -1.3937 | |
| 114 | Q | A | -2.3898 | |
| 115 | Q | A | -2.5866 | |
| 116 | P | A | -2.1007 | |
| 117 | Q | A | -2.2016 | |
| 118 | Q | A | -1.7299 | |
| 119 | P | A | -0.4324 | |
| 120 | F | A | 0.8090 | |
| 121 | P | A | -0.4768 | |
| 122 | Q | A | -1.6319 | |
| 123 | Q | A | -2.1705 | |
| 124 | P | A | -2.0734 | |
| 125 | Q | A | -2.1613 | |
| 126 | Q | A | -1.6802 | |
| 127 | P | A | -0.4196 | |
| 128 | F | A | 0.9479 | |
| 129 | P | A | -0.2555 | |
| 130 | Q | A | -1.3440 | |
| 131 | T | A | -1.3947 | |
| 132 | Q | A | -2.3492 | |
| 133 | Q | A | -2.4806 | |
| 134 | P | A | -2.0182 | |
| 135 | Q | A | -2.1711 | |
| 136 | Q | A | -1.6684 | |
| 137 | P | A | -0.3896 | |
| 138 | F | A | 1.1794 | |
| 139 | P | A | 0.1630 | |
| 140 | Q | A | -0.5639 | |
| 141 | L | A | 0.2267 | |
| 142 | Q | A | -1.5477 | |
| 143 | Q | A | -2.0488 | |
| 144 | P | A | -1.8196 | |
| 145 | Q | A | -2.1605 | |
| 146 | Q | A | -1.6240 | |
| 147 | P | A | -0.3731 | |
| 148 | F | A | 0.9560 | |
| 149 | P | A | -0.1556 | |
| 150 | Q | A | -1.4373 | |
| 151 | P | A | -1.7223 | |
| 152 | Q | A | -2.3725 | |
| 153 | Q | A | -2.1749 | |
| 154 | Q | A | -1.6484 | |
| 155 | L | A | -0.0138 | |
| 156 | P | A | -0.7851 | |
| 157 | Q | A | -1.7383 | |
| 158 | P | A | -1.6786 | |
| 159 | Q | A | -2.5261 | |
| 160 | Q | A | -2.7524 | |
| 161 | P | A | -2.1254 | |
| 162 | Q | A | -2.2163 | |
| 163 | Q | A | -1.6813 | |
| 164 | S | A | -0.4731 | |
| 165 | F | A | 0.7364 | |
| 166 | P | A | -0.7590 | |
| 167 | Q | A | -1.9904 | |
| 168 | Q | A | -2.6854 | |
| 169 | Q | A | -2.2978 | |
| 170 | R | A | -2.0477 | |
| 171 | P | A | 0.0535 | |
| 172 | F | A | 1.3189 | |
| 173 | I | A | 0.9314 | |
| 174 | Q | A | -0.5039 | |
| 175 | P | A | -0.8531 | |
| 176 | S | A | -1.0259 | |
| 177 | L | A | 0.0000 | |
| 178 | Q | A | -1.6382 | |
| 179 | Q | A | -2.0555 | |
| 180 | Q | A | -1.5994 | |
| 181 | L | A | 0.0000 | |
| 182 | N | A | -1.3590 | |
| 183 | P | A | -1.0786 | |
| 184 | C | A | 0.0000 | |
| 185 | K | A | -0.9976 | |
| 186 | N | A | -0.9759 | |
| 187 | I | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | L | A | -0.3813 | |
| 190 | Q | A | -1.2846 | |
| 191 | Q | A | -1.7365 | |
| 192 | S | A | -1.8945 | |
| 193 | K | A | -2.3958 | |
| 194 | P | A | -1.2166 | |
| 195 | A | A | 0.0207 | |
| 196 | S | A | 0.6623 | |
| 197 | L | A | 2.1860 | |
| 198 | V | A | 2.6555 | |
| 199 | S | A | 1.7655 | |
| 200 | S | A | 1.4145 | |
| 201 | L | A | 2.4109 | |
| 202 | W | A | 2.9663 | |
| 203 | S | A | 2.4203 | |
| 204 | I | A | 3.7095 | |
| 205 | I | A | 3.4986 | |
| 206 | W | A | 2.1743 | |
| 207 | P | A | 0.1321 | |
| 208 | Q | A | -1.3352 | |
| 209 | S | A | -1.1339 | |
| 210 | D | A | -1.2685 | |
| 211 | C | A | -1.6398 | |
| 212 | Q | A | -1.6234 | |
| 213 | V | A | -0.0943 | |
| 214 | M | A | -0.8808 | |
| 215 | R | A | -1.7461 | |
| 216 | Q | A | -1.9593 | |
| 217 | Q | A | -1.7181 | |
| 218 | C | A | 0.0000 | |
| 219 | C | A | -1.3997 | |
| 220 | Q | A | -2.0849 | |
| 221 | Q | A | -1.5949 | |
| 222 | L | A | 0.0000 | |
| 223 | A | A | -1.2052 | |
| 224 | Q | A | -1.5848 | |
| 225 | I | A | -1.0583 | |
| 226 | P | A | -1.2547 | |
| 227 | Q | A | -1.6383 | |
| 228 | Q | A | -1.1372 | |
| 229 | L | A | -0.1485 | |
| 230 | Q | A | 0.0000 | |
| 231 | C | A | -0.4457 | |
| 232 | A | A | 0.2500 | |
| 233 | A | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | H | A | -0.1156 | |
| 236 | S | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | H | A | -0.2855 | |
| 240 | S | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | M | A | -0.4412 | |
| 244 | Q | A | -1.5540 | |
| 245 | Q | A | -2.1625 | |
| 246 | Q | A | -2.8435 | |
| 247 | Q | A | -3.5163 | |
| 248 | Q | A | -4.0294 | |
| 249 | Q | A | -4.2977 | |
| 250 | Q | A | -4.1168 | |
| 251 | Q | A | -3.7069 | |
| 252 | Q | A | -3.4742 | |
| 253 | Q | A | -2.7609 | |
| 254 | G | A | -1.0771 | |
| 255 | I | A | 1.0289 | |
| 256 | D | A | 0.3930 | |
| 257 | I | A | 2.7423 | |
| 258 | F | A | 3.6477 | |
| 259 | L | A | 3.1312 | |
| 260 | P | A | 1.9711 | |
| 261 | L | A | 1.5501 | |
| 262 | S | A | -0.1296 | |
| 263 | Q | A | -1.8693 | |
| 264 | H | A | -2.4547 | |
| 265 | E | A | -2.7407 | |
| 266 | Q | A | -1.6318 | |
| 267 | V | A | -0.0340 | |
| 268 | G | A | -0.8191 | |
| 269 | Q | A | -1.2754 | |
| 270 | G | A | -0.4370 | |
| 271 | S | A | 0.3344 | |
| 272 | L | A | 1.6781 | |
| 273 | V | A | 1.5839 | |
| 274 | Q | A | -0.5008 | |
| 275 | G | A | -0.9824 | |
| 276 | Q | A | -0.8422 | |
| 277 | G | A | 0.1452 | |
| 278 | I | A | 1.9102 | |
| 279 | I | A | 1.8224 | |
| 280 | Q | A | -0.1350 | |
| 281 | P | A | -0.6689 | |
| 282 | Q | A | -1.4819 | |
| 283 | Q | A | -1.4536 | |
| 284 | P | A | -1.1009 | |
| 285 | A | A | -0.9011 | |
| 286 | Q | A | -1.0061 | |
| 287 | L | A | -0.5280 | |
| 288 | E | A | -1.6706 | |
| 289 | A | A | -0.5957 | |
| 290 | I | A | 0.0000 | |
| 291 | R | A | -0.6942 | |
| 292 | S | A | -0.5944 | |
| 293 | L | A | -0.1715 | |
| 294 | V | A | 0.0000 | |
| 295 | L | A | -0.3608 | |
| 296 | Q | A | -1.0298 | |
| 297 | T | A | -0.7314 | |
| 298 | L | A | 0.0000 | |
| 299 | P | A | -0.2853 | |
| 300 | S | A | -0.5912 | |
| 301 | M | A | -0.7093 | |
| 302 | C | A | -0.7484 | |
| 303 | N | A | -0.8098 | |
| 304 | V | A | 0.3508 | |
| 305 | Y | A | 1.0566 | |
| 306 | V | A | 0.1748 | |
| 307 | P | A | -0.1575 | |
| 308 | P | A | -0.4683 | |
| 309 | E | A | -1.1692 | |
| 310 | C | A | 0.0000 | |
| 311 | S | A | -0.2168 | |
| 312 | I | A | 0.8515 | |
| 313 | M | A | -0.0649 | |
| 314 | R | A | -1.3355 | |
| 315 | A | A | -0.4390 | |
| 316 | P | A | -0.5994 | |
| 317 | F | A | 0.2348 | |
| 318 | A | A | -0.4572 | |
| 319 | S | A | 0.0159 | |
| 320 | I | A | 1.3617 | |
| 321 | V | A | 2.1062 | |
| 322 | A | A | 1.1485 | |
| 323 | G | A | 0.8975 | |
| 324 | I | A | 1.6056 | |
| 325 | G | A | 0.0982 | |
| 326 | G | A | -0.8630 | |
| 327 | Q | A | -1.2588 |
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