| Chain sequence(s) |
A: MSVKQKSALQDLVDFAKWHVWTRVRPSSRARLAYELFADDHEATTEGAYINLGYWKPGCAGLEEANQELANQLAEAAGISEGDEVLDVGFGLGAQDFFWLETRKPARIVGVDLTPSHVRIASERAERENVQDRLQFKEGSATDLPFGAETFDRVTSLESALHYEPRTDFFKGAFEVLKPGGVLAIGDIIPLDLREPGSDGPPKLAPQRSGSLSGGIPVENWVPRETYAKQLREAGFVDVEVKSVRDNVMEPWLDYWLRKLQDESFKKSVSRLFYSQVKRSLTSDSGMKGELPALDFVIASARKPGA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:38)
[INFO] Main: Simulation completed successfully. (00:10:41)
|
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 | 1.1598 | |
| 2 | S | A | 0.5158 | |
| 3 | V | A | 0.2367 | |
| 4 | K | A | -2.0389 | |
| 5 | Q | A | -2.7268 | |
| 6 | K | A | -2.8403 | |
| 7 | S | A | -0.9214 | |
| 8 | A | A | 0.3571 | |
| 9 | L | A | 1.9548 | |
| 10 | Q | A | 0.6635 | |
| 11 | D | A | 1.0257 | |
| 12 | L | A | 2.9078 | |
| 13 | V | A | 2.1654 | |
| 14 | D | A | 0.0000 | |
| 15 | F | A | 2.6226 | |
| 16 | A | A | 1.4135 | |
| 17 | K | A | 0.8417 | |
| 18 | W | A | 0.6734 | |
| 19 | H | A | -0.3008 | |
| 20 | V | A | 0.2024 | |
| 21 | W | A | -0.2890 | |
| 22 | T | A | -1.2386 | |
| 23 | R | A | -2.1050 | |
| 24 | V | A | -1.3617 | |
| 25 | R | A | -2.2264 | |
| 26 | P | A | -1.3880 | |
| 27 | S | A | -1.1658 | |
| 28 | S | A | -0.7943 | |
| 29 | R | A | -1.0057 | |
| 30 | A | A | 0.0000 | |
| 31 | R | A | -0.4491 | |
| 32 | L | A | -0.2156 | |
| 33 | A | A | -0.1874 | |
| 34 | Y | A | -0.6525 | |
| 35 | E | A | -1.5909 | |
| 36 | L | A | -0.5055 | |
| 37 | F | A | 0.0000 | |
| 38 | A | A | -1.7485 | |
| 39 | D | A | -2.7443 | |
| 40 | D | A | -1.7651 | |
| 41 | H | A | -1.8016 | |
| 42 | E | A | -2.7921 | |
| 43 | A | A | -1.6870 | |
| 44 | T | A | -1.1833 | |
| 45 | T | A | -1.3763 | |
| 46 | E | A | -2.0393 | |
| 47 | G | A | -1.7167 | |
| 48 | A | A | -0.8668 | |
| 49 | Y | A | 0.0000 | |
| 50 | I | A | -0.0183 | |
| 51 | N | A | 0.0045 | |
| 52 | L | A | -0.0740 | |
| 53 | G | A | 0.0000 | |
| 54 | Y | A | -1.0456 | |
| 55 | W | A | -1.4511 | |
| 56 | K | A | -1.7822 | |
| 57 | P | A | -1.1119 | |
| 58 | G | A | -0.8646 | |
| 59 | C | A | -1.1235 | |
| 60 | A | A | -0.7695 | |
| 61 | G | A | -1.0363 | |
| 62 | L | A | 0.0000 | |
| 63 | E | A | -2.5272 | |
| 64 | E | A | -2.7058 | |
| 65 | A | A | 0.0000 | |
| 66 | N | A | 0.0000 | |
| 67 | Q | A | -1.4687 | |
| 68 | E | A | -1.3526 | |
| 69 | L | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | N | A | -1.1518 | |
| 72 | Q | A | -1.1765 | |
| 73 | L | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | E | A | -2.1833 | |
| 76 | A | A | -1.2577 | |
| 77 | A | A | 0.0000 | |
| 78 | G | A | -1.0945 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | -2.0974 | |
| 81 | E | A | -2.9939 | |
| 82 | G | A | -2.0049 | |
| 83 | D | A | 0.0000 | |
| 84 | E | A | -1.1789 | |
| 85 | V | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | D | A | 0.0000 | |
| 88 | V | A | 0.0000 | |
| 89 | G | A | -0.1309 | |
| 90 | F | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | L | A | 0.1957 | |
| 93 | G | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | Q | A | 0.0000 | |
| 96 | D | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | F | A | -0.7652 | |
| 99 | W | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | E | A | -2.4123 | |
| 102 | T | A | -1.9061 | |
| 103 | R | A | -2.8187 | |
| 104 | K | A | -3.4111 | |
| 105 | P | A | 0.0000 | |
| 106 | A | A | -1.8032 | |
| 107 | R | A | -1.8958 | |
| 108 | I | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | D | A | 0.0000 | |
| 113 | L | A | 0.2132 | |
| 114 | T | A | 0.0000 | |
| 115 | P | A | -1.0369 | |
| 116 | S | A | -0.8082 | |
| 117 | H | A | 0.0000 | |
| 118 | V | A | -1.3040 | |
| 119 | R | A | -2.1398 | |
| 120 | I | A | -0.5604 | |
| 121 | A | A | 0.0000 | |
| 122 | S | A | -2.4237 | |
| 123 | E | A | -3.4442 | |
| 124 | R | A | -3.2828 | |
| 125 | A | A | 0.0000 | |
| 126 | E | A | -4.9115 | |
| 127 | R | A | -4.6469 | |
| 128 | E | A | -4.3003 | |
| 129 | N | A | -4.1016 | |
| 130 | V | A | -3.0621 | |
| 131 | Q | A | -3.7666 | |
| 132 | D | A | -3.0759 | |
| 133 | R | A | -2.4148 | |
| 134 | L | A | 0.0000 | |
| 135 | Q | A | -1.5698 | |
| 136 | F | A | -1.2232 | |
| 137 | K | A | -1.8357 | |
| 138 | E | A | -2.1462 | |
| 139 | G | A | -1.2182 | |
| 140 | S | A | -1.0691 | |
| 141 | A | A | 0.0000 | |
| 142 | T | A | -1.9193 | |
| 143 | D | A | -2.1274 | |
| 144 | L | A | -1.3051 | |
| 145 | P | A | -0.8967 | |
| 146 | F | A | -0.6256 | |
| 147 | G | A | -0.9923 | |
| 148 | A | A | -1.6013 | |
| 149 | E | A | -2.4375 | |
| 150 | T | A | -1.4287 | |
| 151 | F | A | 0.0000 | |
| 152 | D | A | -1.0928 | |
| 153 | R | A | -0.6470 | |
| 154 | V | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | E | A | -0.2183 | |
| 159 | S | A | -0.2444 | |
| 160 | A | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | H | A | -0.8791 | |
| 163 | Y | A | 0.0000 | |
| 164 | E | A | -2.2466 | |
| 165 | P | A | -1.7624 | |
| 166 | R | A | 0.0000 | |
| 167 | T | A | -1.7254 | |
| 168 | D | A | -2.2909 | |
| 169 | F | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | K | A | -2.3887 | |
| 172 | G | A | -1.8687 | |
| 173 | A | A | 0.0000 | |
| 174 | F | A | -1.5948 | |
| 175 | E | A | -2.5381 | |
| 176 | V | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | K | A | -2.1474 | |
| 179 | P | A | -1.4250 | |
| 180 | G | A | -0.9937 | |
| 181 | G | A | 0.0000 | |
| 182 | V | A | -0.4781 | |
| 183 | L | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | P | A | 0.0000 | |
| 191 | L | A | -0.1376 | |
| 192 | D | A | -1.2254 | |
| 193 | L | A | -0.8240 | |
| 194 | R | A | -2.1076 | |
| 195 | E | A | -2.6362 | |
| 196 | P | A | -1.6782 | |
| 197 | G | A | -1.6206 | |
| 198 | S | A | -2.0263 | |
| 199 | D | A | -2.4687 | |
| 200 | G | A | -1.6640 | |
| 201 | P | A | -1.3100 | |
| 202 | P | A | -1.6536 | |
| 203 | K | A | -1.9683 | |
| 204 | L | A | -0.5548 | |
| 205 | A | A | -0.4510 | |
| 206 | P | A | -0.7300 | |
| 207 | Q | A | -0.5585 | |
| 208 | R | A | -1.2698 | |
| 209 | S | A | -0.9667 | |
| 210 | G | A | -1.0852 | |
| 211 | S | A | -0.5085 | |
| 212 | L | A | 0.0279 | |
| 213 | S | A | 0.0000 | |
| 214 | G | A | -0.6074 | |
| 215 | G | A | -0.4629 | |
| 216 | I | A | 0.0000 | |
| 217 | P | A | -0.2561 | |
| 218 | V | A | 0.7751 | |
| 219 | E | A | -0.9774 | |
| 220 | N | A | 0.0000 | |
| 221 | W | A | 0.2646 | |
| 222 | V | A | -0.2337 | |
| 223 | P | A | 0.0000 | |
| 224 | R | A | -2.2401 | |
| 225 | E | A | -2.8157 | |
| 226 | T | A | -1.9353 | |
| 227 | Y | A | 0.0000 | |
| 228 | A | A | -2.9010 | |
| 229 | K | A | -3.4661 | |
| 230 | Q | A | -2.6622 | |
| 231 | L | A | 0.0000 | |
| 232 | R | A | -3.5384 | |
| 233 | E | A | -3.3666 | |
| 234 | A | A | 0.0000 | |
| 235 | G | A | -1.9407 | |
| 236 | F | A | 0.0000 | |
| 237 | V | A | -1.3957 | |
| 238 | D | A | -2.2204 | |
| 239 | V | A | -1.9406 | |
| 240 | E | A | -2.6617 | |
| 241 | V | A | -1.8697 | |
| 242 | K | A | -2.2109 | |
| 243 | S | A | -1.3114 | |
| 244 | V | A | 0.0000 | |
| 245 | R | A | -1.7134 | |
| 246 | D | A | -2.4797 | |
| 247 | N | A | -1.8629 | |
| 248 | V | A | 0.0000 | |
| 249 | M | A | 0.0000 | |
| 250 | E | A | -2.6512 | |
| 251 | P | A | -1.6465 | |
| 252 | W | A | -0.9695 | |
| 253 | L | A | -1.1880 | |
| 254 | D | A | -1.7570 | |
| 255 | Y | A | -1.0649 | |
| 256 | W | A | -0.9578 | |
| 257 | L | A | -1.3564 | |
| 258 | R | A | -2.5553 | |
| 259 | K | A | -2.2429 | |
| 260 | L | A | 0.0000 | |
| 261 | Q | A | -3.0557 | |
| 262 | D | A | -3.3940 | |
| 263 | E | A | -3.6567 | |
| 264 | S | A | -2.5883 | |
| 265 | F | A | 0.0000 | |
| 266 | K | A | -3.6956 | |
| 267 | K | A | -3.6150 | |
| 268 | S | A | -2.1361 | |
| 269 | V | A | -1.7216 | |
| 270 | S | A | -2.0911 | |
| 271 | R | A | -2.4671 | |
| 272 | L | A | -0.2218 | |
| 273 | F | A | -0.5425 | |
| 274 | Y | A | -1.4466 | |
| 275 | S | A | -1.4746 | |
| 276 | Q | A | -1.0790 | |
| 277 | V | A | -0.8191 | |
| 278 | K | A | -1.8324 | |
| 279 | R | A | -2.7324 | |
| 280 | S | A | -1.8073 | |
| 281 | L | A | 0.0000 | |
| 282 | T | A | -1.5955 | |
| 283 | S | A | -2.0266 | |
| 284 | D | A | -2.5089 | |
| 285 | S | A | -1.7820 | |
| 286 | G | A | -1.6899 | |
| 287 | M | A | -1.0132 | |
| 288 | K | A | -2.0992 | |
| 289 | G | A | -1.5510 | |
| 290 | E | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | P | A | -0.6123 | |
| 293 | A | A | -0.1136 | |
| 294 | L | A | 0.0000 | |
| 295 | D | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | S | A | -1.2523 | |
| 301 | A | A | 0.0000 | |
| 302 | R | A | -1.4788 | |
| 303 | K | A | -1.2808 | |
| 304 | P | A | -0.8043 | |
| 305 | G | A | -0.7962 | |
| 306 | A | A | -0.3789 |
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