| Chain sequence(s) |
A: MALGVDGVRVGTWTAPGGVSGCTVVLPPPGTVGAIAVRGAAPGTREAAALGPAGKVTVCSGIVLAGGSAFGLAAADGAMRWLEERGIGHALGAGVVVPIVGAAIVLDEAVLVPAARPGPEAGYAACDAAVDADPSEGGVGAGAGCTVAKVAGLAHAWRSGQGVAVRRAAGVSVGALVVNNAVGEVLAEDGTWLARARVADDVVRWPVNGRALGTGEAGDEVGPSTNTVIGCIVTDARLTKAEAHRVADLGHSGLARTLRPAHTDADGDALFCLATGARDATVDLVAALAADAVADAVRRGPLTASGRGDLPGLADR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:42)
[INFO] Main: Simulation completed successfully. (00:02:44)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | -0.5950 | |
| 2 | A | A | 0.0000 | |
| 3 | L | A | 0.0000 | |
| 4 | G | A | -0.9886 | |
| 5 | V | A | 0.0000 | |
| 6 | D | A | -2.0393 | |
| 7 | G | A | -1.3009 | |
| 8 | V | A | 0.0000 | |
| 9 | R | A | -1.5241 | |
| 10 | V | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | T | A | 0.1425 | |
| 13 | W | A | -0.0850 | |
| 14 | T | A | 0.0409 | |
| 15 | A | A | 0.0000 | |
| 16 | P | A | -0.4970 | |
| 17 | G | A | -0.6467 | |
| 18 | G | A | -0.4398 | |
| 19 | V | A | -0.3894 | |
| 20 | S | A | 0.0000 | |
| 21 | G | A | 0.0000 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | V | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | P | A | 0.0000 | |
| 28 | P | A | -0.7232 | |
| 29 | P | A | -0.4543 | |
| 30 | G | A | -0.4920 | |
| 31 | T | A | 0.0000 | |
| 32 | V | A | -0.0860 | |
| 33 | G | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | V | A | -0.3667 | |
| 38 | R | A | -1.8865 | |
| 39 | G | A | -1.3097 | |
| 40 | A | A | -1.0599 | |
| 41 | A | A | -0.6570 | |
| 42 | P | A | -0.6852 | |
| 43 | G | A | -0.1392 | |
| 44 | T | A | -0.8606 | |
| 45 | R | A | -1.7453 | |
| 46 | E | A | -1.3509 | |
| 47 | A | A | -0.7481 | |
| 48 | A | A | -0.6189 | |
| 49 | A | A | -0.7644 | |
| 50 | L | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | P | A | -0.8203 | |
| 53 | A | A | -0.4579 | |
| 54 | G | A | -0.9383 | |
| 55 | K | A | -1.5587 | |
| 56 | V | A | -0.5494 | |
| 57 | T | A | -0.1927 | |
| 58 | V | A | 0.1733 | |
| 59 | C | A | 0.0000 | |
| 60 | S | A | -0.0734 | |
| 61 | G | A | 0.0000 | |
| 62 | I | A | 0.0000 | |
| 63 | V | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | S | A | 0.6647 | |
| 69 | A | A | 0.6870 | |
| 70 | F | A | 1.5609 | |
| 71 | G | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | A | A | -0.6333 | |
| 74 | A | A | 0.0000 | |
| 75 | A | A | 0.0000 | |
| 76 | D | A | -2.3638 | |
| 77 | G | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | M | A | -1.8359 | |
| 80 | R | A | -3.2375 | |
| 81 | W | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -3.4042 | |
| 84 | E | A | -3.9639 | |
| 85 | R | A | -3.5853 | |
| 86 | G | A | -2.2474 | |
| 87 | I | A | -1.3324 | |
| 88 | G | A | -0.2129 | |
| 89 | H | A | 0.1529 | |
| 90 | A | A | 0.9666 | |
| 91 | L | A | 1.8697 | |
| 92 | G | A | 0.6808 | |
| 93 | A | A | 0.5136 | |
| 94 | G | A | 0.5284 | |
| 95 | V | A | 1.7292 | |
| 96 | V | A | 0.5772 | |
| 97 | V | A | 0.8706 | |
| 98 | P | A | -0.0745 | |
| 99 | I | A | 0.2081 | |
| 100 | V | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | L | A | 0.3012 | |
| 107 | D | A | 0.0000 | |
| 108 | E | A | -0.5912 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 1.1885 | |
| 111 | L | A | 1.5890 | |
| 112 | V | A | 1.1407 | |
| 113 | P | A | 0.5324 | |
| 114 | A | A | 0.2263 | |
| 115 | A | A | 0.0000 | |
| 116 | R | A | 0.0348 | |
| 117 | P | A | 0.0000 | |
| 118 | G | A | -0.8322 | |
| 119 | P | A | -1.8240 | |
| 120 | E | A | -2.2158 | |
| 121 | A | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | Y | A | -1.4641 | |
| 124 | A | A | -1.0192 | |
| 125 | A | A | 0.0000 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | -1.4484 | |
| 128 | A | A | -0.5308 | |
| 129 | A | A | -0.3863 | |
| 130 | V | A | 0.0786 | |
| 131 | D | A | -1.4540 | |
| 132 | A | A | -0.9677 | |
| 133 | D | A | -1.8739 | |
| 134 | P | A | -1.1160 | |
| 135 | S | A | -0.7759 | |
| 136 | E | A | -0.7635 | |
| 137 | G | A | 0.0000 | |
| 138 | G | A | -0.2171 | |
| 139 | V | A | 0.3207 | |
| 140 | G | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | G | A | -0.3476 | |
| 145 | C | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | K | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | A | A | 0.1538 | |
| 152 | G | A | -0.0894 | |
| 153 | L | A | 0.6122 | |
| 154 | A | A | -0.0512 | |
| 155 | H | A | -0.4699 | |
| 156 | A | A | 0.0000 | |
| 157 | W | A | -0.1517 | |
| 158 | R | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | Q | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | V | A | -0.4710 | |
| 164 | A | A | 0.0000 | |
| 165 | V | A | -0.9896 | |
| 166 | R | A | -2.4337 | |
| 167 | R | A | -2.4397 | |
| 168 | A | A | -1.1784 | |
| 169 | A | A | -0.4555 | |
| 170 | G | A | -1.2650 | |
| 171 | V | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | N | A | 0.0000 | |
| 180 | N | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | E | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | L | A | -1.0235 | |
| 187 | A | A | -1.5987 | |
| 188 | E | A | -3.0696 | |
| 189 | D | A | -2.7887 | |
| 190 | G | A | -1.9460 | |
| 191 | T | A | -0.8458 | |
| 192 | W | A | -0.0667 | |
| 193 | L | A | 0.1063 | |
| 194 | A | A | 0.0000 | |
| 195 | R | A | -0.5618 | |
| 196 | A | A | 0.0000 | |
| 197 | R | A | -0.9038 | |
| 198 | V | A | -0.5333 | |
| 199 | A | A | -0.9243 | |
| 200 | D | A | -2.1537 | |
| 201 | D | A | -1.8100 | |
| 202 | V | A | 0.1437 | |
| 203 | V | A | 1.4288 | |
| 204 | R | A | 0.4234 | |
| 205 | W | A | 0.0000 | |
| 206 | P | A | -0.2358 | |
| 207 | V | A | -0.0533 | |
| 208 | N | A | -1.5324 | |
| 209 | G | A | -1.5971 | |
| 210 | R | A | -1.9783 | |
| 211 | A | A | -1.3785 | |
| 212 | L | A | -0.4162 | |
| 213 | G | A | -1.3394 | |
| 214 | T | A | -1.1796 | |
| 215 | G | A | -1.9680 | |
| 216 | E | A | -2.7099 | |
| 217 | A | A | -1.9693 | |
| 218 | G | A | -2.2666 | |
| 219 | D | A | -3.1803 | |
| 220 | E | A | -2.9658 | |
| 221 | V | A | -1.0043 | |
| 222 | G | A | -0.8329 | |
| 223 | P | A | -0.3966 | |
| 224 | S | A | -0.2557 | |
| 225 | T | A | -0.0836 | |
| 226 | N | A | 0.0000 | |
| 227 | T | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | C | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | D | A | -1.7631 | |
| 236 | A | A | 0.0000 | |
| 237 | R | A | -3.0069 | |
| 238 | L | A | 0.0000 | |
| 239 | T | A | -0.8810 | |
| 240 | K | A | -0.9519 | |
| 241 | A | A | -0.8576 | |
| 242 | E | A | -1.7460 | |
| 243 | A | A | 0.0000 | |
| 244 | H | A | -1.2646 | |
| 245 | R | A | -2.1524 | |
| 246 | V | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | D | A | -0.8480 | |
| 249 | L | A | -0.0060 | |
| 250 | G | A | 0.0000 | |
| 251 | H | A | 0.0000 | |
| 252 | S | A | -0.6366 | |
| 253 | G | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | A | A | -1.1889 | |
| 256 | R | A | -2.6218 | |
| 257 | T | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | R | A | -1.5340 | |
| 260 | P | A | -1.0906 | |
| 261 | A | A | -1.2392 | |
| 262 | H | A | -1.2621 | |
| 263 | T | A | 0.0000 | |
| 264 | D | A | -1.9276 | |
| 265 | A | A | -0.8679 | |
| 266 | D | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | D | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | C | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | T | A | -1.0870 | |
| 276 | G | A | -1.8917 | |
| 277 | A | A | -1.8997 | |
| 278 | R | A | -3.1108 | |
| 279 | D | A | -3.2084 | |
| 280 | A | A | -1.9254 | |
| 281 | T | A | -1.3086 | |
| 282 | V | A | -1.4843 | |
| 283 | D | A | -1.6960 | |
| 284 | L | A | -0.4178 | |
| 285 | V | A | 0.0000 | |
| 286 | A | A | 0.0000 | |
| 287 | A | A | -0.6455 | |
| 288 | L | A | -1.1853 | |
| 289 | A | A | 0.0000 | |
| 290 | A | A | -1.1432 | |
| 291 | D | A | -2.3653 | |
| 292 | A | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | D | A | -1.9168 | |
| 296 | A | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | R | A | 0.0000 | |
| 299 | R | A | -0.6936 | |
| 300 | G | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | L | A | 0.1603 | |
| 303 | T | A | -0.2610 | |
| 304 | A | A | 0.0000 | |
| 305 | S | A | -1.0402 | |
| 306 | G | A | -1.5721 | |
| 307 | R | A | -1.4769 | |
| 308 | G | A | -1.6461 | |
| 309 | D | A | -2.1428 | |
| 310 | L | A | -1.0237 | |
| 311 | P | A | -1.3007 | |
| 312 | G | A | 0.0000 | |
| 313 | L | A | -0.6822 | |
| 314 | A | A | -1.1856 | |
| 315 | D | A | -2.6211 | |
| 316 | R | A | -2.6014 |
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