| Chain sequence(s) |
A: MAASLQASTTFLQPTKVASRNTLQLRSTQNVCKAFGVESASSGGRLSLSLQSDLKELANKCVDATKLAGLALATSALIASGANAEGGKRLTYDEIQSKTYLEVKGTGTANQCPTVEGGVDSFAFKPGKYTAKKFCLEPTKFAVKAEGISKNSGPDFQNTKLMTRLTYTLDEIEGPFEVSSDGTVKFEEKDGIDYAAVTVQLPGGERVPFLFTIKQLVASGKPESFSGDFLVPSYRGSSFLDPKGRGGSTGYDNAVALPAGGRGDEEELQKENNKNVASSKGTITLSVTSSKPETGEVIGVFQSLQPSDTDLGAKVPKDVKIEGVWYAQLEQQ
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 | 1.0939 | |
| 2 | A | A | 0.5500 | |
| 3 | A | A | 0.5512 | |
| 4 | S | A | 0.2915 | |
| 5 | L | A | 0.8916 | |
| 6 | Q | A | -0.5309 | |
| 7 | A | A | -0.3202 | |
| 8 | S | A | -0.5135 | |
| 9 | T | A | 0.1369 | |
| 10 | T | A | 1.1280 | |
| 11 | F | A | 2.3504 | |
| 12 | L | A | 1.8436 | |
| 13 | Q | A | -0.1207 | |
| 14 | P | A | -0.9148 | |
| 15 | T | A | -0.8578 | |
| 16 | K | A | -0.9197 | |
| 17 | V | A | 0.9207 | |
| 18 | A | A | 0.0341 | |
| 19 | S | A | -1.0840 | |
| 20 | R | A | -2.5701 | |
| 21 | N | A | -1.8991 | |
| 22 | T | A | -0.6184 | |
| 23 | L | A | 0.9558 | |
| 24 | Q | A | -0.0743 | |
| 25 | L | A | 0.3307 | |
| 26 | R | A | -1.4446 | |
| 27 | S | A | -1.2368 | |
| 28 | T | A | -1.4257 | |
| 29 | Q | A | -1.5734 | |
| 30 | N | A | -0.9260 | |
| 31 | V | A | 0.8398 | |
| 32 | C | A | 0.5698 | |
| 33 | K | A | -0.5637 | |
| 34 | A | A | 0.1940 | |
| 35 | F | A | 1.5813 | |
| 36 | G | A | 0.8768 | |
| 37 | V | A | 1.0719 | |
| 38 | E | A | -0.9849 | |
| 39 | S | A | -0.8085 | |
| 40 | A | A | -0.6547 | |
| 41 | S | A | -0.6458 | |
| 42 | S | A | -0.6627 | |
| 43 | G | A | -1.2623 | |
| 44 | G | A | -1.2624 | |
| 45 | R | A | -1.4657 | |
| 46 | L | A | 0.8009 | |
| 47 | S | A | 0.8153 | |
| 48 | L | A | 1.9535 | |
| 49 | S | A | 0.9586 | |
| 50 | L | A | 0.9069 | |
| 51 | Q | A | -0.7293 | |
| 52 | S | A | -1.1355 | |
| 53 | D | A | -1.7336 | |
| 54 | L | A | -0.6144 | |
| 55 | K | A | -1.7930 | |
| 56 | E | A | -1.8665 | |
| 57 | L | A | -0.0058 | |
| 58 | A | A | -0.8311 | |
| 59 | N | A | -1.5865 | |
| 60 | K | A | -1.4680 | |
| 61 | C | A | -0.0611 | |
| 62 | V | A | 0.7303 | |
| 63 | D | A | -0.9420 | |
| 64 | A | A | -0.8381 | |
| 65 | T | A | -0.9301 | |
| 66 | K | A | -0.8901 | |
| 67 | L | A | 0.5527 | |
| 68 | A | A | 0.5268 | |
| 69 | G | A | 0.6991 | |
| 70 | L | A | 1.6749 | |
| 71 | A | A | 1.5358 | |
| 72 | L | A | 1.9092 | |
| 73 | A | A | 0.7605 | |
| 74 | T | A | 0.3334 | |
| 75 | S | A | 0.4544 | |
| 76 | A | A | 1.4130 | |
| 77 | L | A | 2.4726 | |
| 78 | I | A | 2.6630 | |
| 79 | A | A | 1.1503 | |
| 80 | S | A | 0.1570 | |
| 81 | G | A | -0.8162 | |
| 82 | A | A | -1.1857 | |
| 83 | N | A | -2.0227 | |
| 84 | A | A | -1.6376 | |
| 85 | E | A | -2.8165 | |
| 86 | G | A | -2.1693 | |
| 87 | G | A | -2.1921 | |
| 88 | K | A | -2.7223 | |
| 89 | R | A | -2.1744 | |
| 90 | L | A | -1.5624 | |
| 91 | T | A | -1.4918 | |
| 92 | Y | A | -1.3598 | |
| 93 | D | A | -2.4292 | |
| 94 | E | A | -2.0094 | |
| 95 | I | A | -1.4373 | |
| 96 | Q | A | -2.0212 | |
| 97 | S | A | -1.8161 | |
| 98 | K | A | -1.4957 | |
| 99 | T | A | -0.3310 | |
| 100 | Y | A | 0.6869 | |
| 101 | L | A | 0.5474 | |
| 102 | E | A | -1.3864 | |
| 103 | V | A | -0.8591 | |
| 104 | K | A | -1.4939 | |
| 105 | G | A | -1.2081 | |
| 106 | T | A | -1.0734 | |
| 107 | G | A | -0.8664 | |
| 108 | T | A | -1.0178 | |
| 109 | A | A | -0.0968 | |
| 110 | N | A | -0.1048 | |
| 111 | Q | A | -0.5906 | |
| 112 | C | A | 0.0000 | |
| 113 | P | A | -0.6061 | |
| 114 | T | A | -0.9938 | |
| 115 | V | A | -1.1939 | |
| 116 | E | A | -2.1685 | |
| 117 | G | A | -1.5996 | |
| 118 | G | A | -1.3569 | |
| 119 | V | A | -0.2416 | |
| 120 | D | A | -1.4731 | |
| 121 | S | A | -0.8699 | |
| 122 | F | A | -0.6453 | |
| 123 | A | A | -0.3722 | |
| 124 | F | A | -1.0315 | |
| 125 | K | A | -2.1454 | |
| 126 | P | A | -1.9611 | |
| 127 | G | A | -2.1544 | |
| 128 | K | A | -3.2296 | |
| 129 | Y | A | 0.0000 | |
| 130 | T | A | -2.0205 | |
| 131 | A | A | 0.0000 | |
| 132 | K | A | -2.1104 | |
| 133 | K | A | -1.6592 | |
| 134 | F | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | E | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | T | A | -0.5002 | |
| 140 | K | A | -1.6607 | |
| 141 | F | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | K | A | -1.9534 | |
| 145 | A | A | -1.7132 | |
| 146 | E | A | -2.4355 | |
| 147 | G | A | -1.3317 | |
| 148 | I | A | 0.4340 | |
| 149 | S | A | -0.8710 | |
| 150 | K | A | -2.2829 | |
| 151 | N | A | -2.2582 | |
| 152 | S | A | -1.8302 | |
| 153 | G | A | -1.8916 | |
| 154 | P | A | -2.0076 | |
| 155 | D | A | -2.1783 | |
| 156 | F | A | -1.0559 | |
| 157 | Q | A | -1.0778 | |
| 158 | N | A | -1.9689 | |
| 159 | T | A | -1.9053 | |
| 160 | K | A | -2.1127 | |
| 161 | L | A | -0.8578 | |
| 162 | M | A | -0.4410 | |
| 163 | T | A | -0.3866 | |
| 164 | R | A | -0.9150 | |
| 165 | L | A | 0.5968 | |
| 166 | T | A | 0.1872 | |
| 167 | Y | A | 0.3245 | |
| 168 | T | A | 0.5619 | |
| 169 | L | A | 0.0000 | |
| 170 | D | A | -0.8219 | |
| 171 | E | A | -1.9944 | |
| 172 | I | A | 0.0000 | |
| 173 | E | A | -2.8135 | |
| 174 | G | A | 0.0000 | |
| 175 | P | A | -1.7907 | |
| 176 | F | A | 0.0000 | |
| 177 | E | A | -2.0052 | |
| 178 | V | A | 0.0000 | |
| 179 | S | A | -1.9364 | |
| 180 | S | A | -1.6499 | |
| 181 | D | A | -2.3205 | |
| 182 | G | A | -1.8938 | |
| 183 | T | A | -2.0356 | |
| 184 | V | A | 0.0000 | |
| 185 | K | A | -1.2983 | |
| 186 | F | A | 0.0000 | |
| 187 | E | A | -1.1732 | |
| 188 | E | A | 0.0000 | |
| 189 | K | A | -3.2200 | |
| 190 | D | A | -3.1801 | |
| 191 | G | A | -1.3407 | |
| 192 | I | A | 1.0326 | |
| 193 | D | A | 0.0000 | |
| 194 | Y | A | 1.5986 | |
| 195 | A | A | 0.0000 | |
| 196 | A | A | 0.2681 | |
| 197 | V | A | 0.0000 | |
| 198 | T | A | -0.7013 | |
| 199 | V | A | 0.0000 | |
| 200 | Q | A | -2.2960 | |
| 201 | L | A | 0.0000 | |
| 202 | P | A | -1.4113 | |
| 203 | G | A | -1.2166 | |
| 204 | G | A | -2.1472 | |
| 205 | E | A | -2.9605 | |
| 206 | R | A | -3.0073 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | -0.8130 | |
| 209 | F | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | T | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | K | A | -1.1693 | |
| 215 | Q | A | -1.9191 | |
| 216 | L | A | 0.0000 | |
| 217 | V | A | 0.0622 | |
| 218 | A | A | 0.0000 | |
| 219 | S | A | -0.9701 | |
| 220 | G | A | -1.6208 | |
| 221 | K | A | -2.8389 | |
| 222 | P | A | -1.8863 | |
| 223 | E | A | -2.3063 | |
| 224 | S | A | -1.5539 | |
| 225 | F | A | 0.0000 | |
| 226 | S | A | -0.8099 | |
| 227 | G | A | 0.0000 | |
| 228 | D | A | -1.9063 | |
| 229 | F | A | 0.0000 | |
| 230 | L | A | -0.9626 | |
| 231 | V | A | 0.0000 | |
| 232 | P | A | -0.2134 | |
| 233 | S | A | -0.4570 | |
| 234 | Y | A | -0.3070 | |
| 235 | R | A | -0.8120 | |
| 236 | G | A | -0.5523 | |
| 237 | S | A | -0.4115 | |
| 238 | S | A | -0.0817 | |
| 239 | F | A | 0.6365 | |
| 240 | L | A | 0.7868 | |
| 241 | D | A | -0.2657 | |
| 242 | P | A | -0.5850 | |
| 243 | K | A | -0.9929 | |
| 244 | G | A | -0.1999 | |
| 245 | R | A | 0.0000 | |
| 246 | G | A | -0.7273 | |
| 247 | G | A | -1.0363 | |
| 248 | S | A | -0.5217 | |
| 249 | T | A | -0.2404 | |
| 250 | G | A | -0.3354 | |
| 251 | Y | A | 0.0231 | |
| 252 | D | A | -2.2306 | |
| 253 | N | A | -1.9106 | |
| 254 | A | A | 0.0000 | |
| 255 | V | A | 0.5084 | |
| 256 | A | A | 0.3872 | |
| 257 | L | A | -0.0248 | |
| 258 | P | A | -0.5190 | |
| 259 | A | A | -0.5389 | |
| 260 | G | A | -1.4890 | |
| 261 | G | A | -2.0337 | |
| 262 | R | A | -3.2125 | |
| 263 | G | A | 0.0000 | |
| 264 | D | A | -4.0103 | |
| 265 | E | A | -4.2647 | |
| 266 | E | A | -4.4616 | |
| 267 | E | A | -4.1200 | |
| 268 | L | A | -3.6287 | |
| 269 | Q | A | -4.3876 | |
| 270 | K | A | -3.9352 | |
| 271 | E | A | -3.2124 | |
| 272 | N | A | 0.0000 | |
| 273 | N | A | -2.9489 | |
| 274 | K | A | 0.0000 | |
| 275 | N | A | -2.0341 | |
| 276 | V | A | -0.4308 | |
| 277 | A | A | -0.1169 | |
| 278 | S | A | -0.4183 | |
| 279 | S | A | -0.7969 | |
| 280 | K | A | -1.9716 | |
| 281 | G | A | 0.0000 | |
| 282 | T | A | -0.8070 | |
| 283 | I | A | 0.0000 | |
| 284 | T | A | -0.5437 | |
| 285 | L | A | 0.0000 | |
| 286 | S | A | -0.5896 | |
| 287 | V | A | -0.4800 | |
| 288 | T | A | -0.2966 | |
| 289 | S | A | -0.6075 | |
| 290 | S | A | 0.0000 | |
| 291 | K | A | -1.3611 | |
| 292 | P | A | -1.2549 | |
| 293 | E | A | -2.0752 | |
| 294 | T | A | -1.3118 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | I | A | 0.4187 | |
| 299 | G | A | 0.0000 | |
| 300 | V | A | 1.0428 | |
| 301 | F | A | 0.0000 | |
| 302 | Q | A | -0.4730 | |
| 303 | S | A | 0.0000 | |
| 304 | L | A | -0.0719 | |
| 305 | Q | A | 0.0000 | |
| 306 | P | A | -0.6214 | |
| 307 | S | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | T | A | -0.6363 | |
| 310 | D | A | -1.6082 | |
| 311 | L | A | 0.0000 | |
| 312 | G | A | -1.5001 | |
| 313 | A | A | -1.7617 | |
| 314 | K | A | -0.7702 | |
| 315 | V | A | 0.8994 | |
| 316 | P | A | -0.1527 | |
| 317 | K | A | -0.7930 | |
| 318 | D | A | -0.9427 | |
| 319 | V | A | 0.0000 | |
| 320 | K | A | -0.7103 | |
| 321 | I | A | 0.0000 | |
| 322 | E | A | -0.7056 | |
| 323 | G | A | 0.0000 | |
| 324 | V | A | 0.6298 | |
| 325 | W | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | Q | A | -1.0677 | |
| 329 | L | A | 0.0000 | |
| 330 | E | A | -2.5191 | |
| 331 | Q | A | -3.1079 | |
| 332 | Q | A | -2.6986 |
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