| Chain sequence(s) |
A: MVAIIVHGGAGTIRKEDRIPKVIEGVKEAVLAGWRELKKGSALDAVEEAVKVLEDNPLFNAGTGSVLTIDGKVEMDAAIMRGKTLEAGAVAGIWGVKNPISVARKVMEKTDHVLLVGEGAVKFARLMGFPEYDPVTEERKKQWAELKEKLLKGEVRHWKKLGELIKEYPEVLRSTVGAVAFDGEEVVAGTSTGGVFLKMFGRVGDTPIIGAGTYANEVAGASCTGLGEVAIRLVLAKTATDFVRLGMDAQAASDAAISLATKYFGKDTMGIIMVDSQGNVGFAKNTKHMSYAYMKEGMEEPEAGV
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] (00:00:00)
[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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:48)
[INFO] Main: Simulation completed successfully. (00:07:50)
|
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 | -0.4051 | |
| 2 | V | A | 0.0000 | |
| 3 | A | A | 0.0000 | |
| 4 | I | A | 0.0000 | |
| 5 | I | A | 0.0000 | |
| 6 | V | A | 0.0000 | |
| 7 | H | A | 0.0000 | |
| 8 | G | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | A | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | T | A | -0.0911 | |
| 13 | I | A | 0.8420 | |
| 14 | R | A | -1.5077 | |
| 15 | K | A | -3.2508 | |
| 16 | E | A | -4.4300 | |
| 17 | D | A | -4.4904 | |
| 18 | R | A | -4.3315 | |
| 19 | I | A | 0.0000 | |
| 20 | P | A | -3.2582 | |
| 21 | K | A | -3.6405 | |
| 22 | V | A | 0.0000 | |
| 23 | I | A | -2.3020 | |
| 24 | E | A | -3.2808 | |
| 25 | G | A | -2.1698 | |
| 26 | V | A | 0.0000 | |
| 27 | K | A | -2.7723 | |
| 28 | E | A | -2.4704 | |
| 29 | A | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | -1.2601 | |
| 32 | A | A | -1.3216 | |
| 33 | G | A | 0.0000 | |
| 34 | W | A | -2.1620 | |
| 35 | R | A | -3.0394 | |
| 36 | E | A | -3.3548 | |
| 37 | L | A | 0.0000 | |
| 38 | K | A | -3.7874 | |
| 39 | K | A | -3.5300 | |
| 40 | G | A | -2.6774 | |
| 41 | S | A | -1.8881 | |
| 42 | A | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | D | A | -1.9228 | |
| 45 | A | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | E | A | -1.2476 | |
| 48 | E | A | -1.5201 | |
| 49 | A | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | K | A | -1.1873 | |
| 52 | V | A | -0.9481 | |
| 53 | L | A | 0.0000 | |
| 54 | E | A | 0.0000 | |
| 55 | D | A | -1.8449 | |
| 56 | N | A | -1.2369 | |
| 57 | P | A | -0.8766 | |
| 58 | L | A | -0.3168 | |
| 59 | F | A | 0.0000 | |
| 60 | N | A | 0.0000 | |
| 61 | A | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | T | A | -1.3447 | |
| 64 | G | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | 0.0000 | |
| 69 | I | A | 1.2464 | |
| 70 | D | A | -0.8301 | |
| 71 | G | A | -0.6962 | |
| 72 | K | A | -1.1046 | |
| 73 | V | A | 0.0000 | |
| 74 | E | A | 0.0000 | |
| 75 | M | A | 0.0000 | |
| 76 | D | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | M | A | 0.0000 | |
| 81 | R | A | -0.9893 | |
| 82 | G | A | 0.0000 | |
| 83 | K | A | -2.1981 | |
| 84 | T | A | -0.7324 | |
| 85 | L | A | 0.2979 | |
| 86 | E | A | -0.8506 | |
| 87 | A | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | V | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | G | A | 0.4002 | |
| 93 | I | A | 0.0000 | |
| 94 | W | A | -0.2393 | |
| 95 | G | A | -1.2467 | |
| 96 | V | A | 0.0000 | |
| 97 | K | A | -1.5386 | |
| 98 | N | A | 0.0000 | |
| 99 | P | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | S | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | R | A | -1.5435 | |
| 105 | K | A | -1.6500 | |
| 106 | V | A | 0.0000 | |
| 107 | M | A | 0.0000 | |
| 108 | E | A | -3.4854 | |
| 109 | K | A | -3.2726 | |
| 110 | T | A | -2.3208 | |
| 111 | D | A | -2.9584 | |
| 112 | H | A | -1.8907 | |
| 113 | V | A | -0.2699 | |
| 114 | L | A | 1.3862 | |
| 115 | L | A | 1.2425 | |
| 116 | V | A | 1.4948 | |
| 117 | G | A | -0.2872 | |
| 118 | E | A | -1.6691 | |
| 119 | G | A | -0.8777 | |
| 120 | A | A | 0.0000 | |
| 121 | V | A | -0.9288 | |
| 122 | K | A | -1.6386 | |
| 123 | F | A | -0.1631 | |
| 124 | A | A | 0.0000 | |
| 125 | R | A | -1.3970 | |
| 126 | L | A | 0.7264 | |
| 127 | M | A | 0.0416 | |
| 128 | G | A | -0.5718 | |
| 129 | F | A | -0.7581 | |
| 130 | P | A | -1.4805 | |
| 131 | E | A | -2.4426 | |
| 132 | Y | A | -1.0629 | |
| 133 | D | A | -1.4486 | |
| 134 | P | A | -0.9141 | |
| 135 | V | A | 0.2004 | |
| 136 | T | A | -1.1773 | |
| 137 | E | A | -2.5593 | |
| 138 | E | A | 0.0000 | |
| 139 | R | A | -2.2685 | |
| 140 | K | A | -2.5257 | |
| 141 | K | A | -1.8072 | |
| 142 | Q | A | 0.0000 | |
| 143 | W | A | -0.4614 | |
| 144 | A | A | -0.8438 | |
| 145 | E | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | K | A | -0.4829 | |
| 148 | E | A | -0.7974 | |
| 149 | K | A | -0.3884 | |
| 150 | L | A | 0.9705 | |
| 151 | L | A | 0.5095 | |
| 152 | K | A | -1.3837 | |
| 153 | G | A | -1.2951 | |
| 154 | E | A | -2.6690 | |
| 155 | V | A | -2.1853 | |
| 156 | R | A | -3.3325 | |
| 157 | H | A | -2.8498 | |
| 158 | W | A | -1.8696 | |
| 159 | K | A | -2.7770 | |
| 160 | K | A | -1.9117 | |
| 161 | L | A | -0.1124 | |
| 162 | G | A | -0.9978 | |
| 163 | E | A | -1.5934 | |
| 164 | L | A | -0.7426 | |
| 165 | I | A | -0.6480 | |
| 166 | K | A | -1.4639 | |
| 167 | E | A | -0.2657 | |
| 168 | Y | A | -0.2246 | |
| 169 | P | A | 0.0000 | |
| 170 | E | A | -1.4600 | |
| 171 | V | A | -0.2541 | |
| 172 | L | A | 0.0060 | |
| 173 | R | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | T | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | F | A | 0.0000 | |
| 182 | D | A | -1.8728 | |
| 183 | G | A | -1.8332 | |
| 184 | E | A | -2.6432 | |
| 185 | E | A | -2.2134 | |
| 186 | V | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | T | A | 0.0000 | |
| 191 | S | A | 0.0000 | |
| 192 | T | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | G | A | 0.1708 | |
| 195 | V | A | 0.5137 | |
| 196 | F | A | 0.0000 | |
| 197 | L | A | 1.1787 | |
| 198 | K | A | 0.0000 | |
| 199 | M | A | 1.3067 | |
| 200 | F | A | 0.8282 | |
| 201 | G | A | 0.0487 | |
| 202 | R | A | -0.5938 | |
| 203 | V | A | 0.8648 | |
| 204 | G | A | 0.4934 | |
| 205 | D | A | 0.0000 | |
| 206 | T | A | 0.0000 | |
| 207 | P | A | 0.0000 | |
| 208 | I | A | 1.9050 | |
| 209 | I | A | 1.4194 | |
| 210 | G | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | T | A | 0.0000 | |
| 214 | Y | A | 0.5632 | |
| 215 | A | A | 0.0000 | |
| 216 | N | A | 0.0000 | |
| 217 | E | A | -2.7228 | |
| 218 | V | A | -1.6079 | |
| 219 | A | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | C | A | 0.0000 | |
| 224 | T | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | G | A | -0.3353 | |
| 228 | E | A | -0.4212 | |
| 229 | V | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | I | A | 1.7596 | |
| 232 | R | A | 1.0391 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 1.4574 | |
| 235 | L | A | 0.6592 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -0.2574 | |
| 238 | T | A | -0.4889 | |
| 239 | A | A | 0.0000 | |
| 240 | T | A | 0.0000 | |
| 241 | D | A | -1.3165 | |
| 242 | F | A | 0.4056 | |
| 243 | V | A | -0.3740 | |
| 244 | R | A | -1.4537 | |
| 245 | L | A | 0.5939 | |
| 246 | G | A | 0.1130 | |
| 247 | M | A | -0.1307 | |
| 248 | D | A | -1.3254 | |
| 249 | A | A | -1.5412 | |
| 250 | Q | A | -1.8816 | |
| 251 | A | A | -1.3717 | |
| 252 | A | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | D | A | -2.1281 | |
| 255 | A | A | -0.7507 | |
| 256 | A | A | 0.0000 | |
| 257 | I | A | -0.7454 | |
| 258 | S | A | -0.3536 | |
| 259 | L | A | 0.4487 | |
| 260 | A | A | 0.4986 | |
| 261 | T | A | -0.0565 | |
| 262 | K | A | -0.3950 | |
| 263 | Y | A | 1.1791 | |
| 264 | F | A | 1.0208 | |
| 265 | G | A | -0.0735 | |
| 266 | K | A | -1.2841 | |
| 267 | D | A | 0.0000 | |
| 268 | T | A | -0.9211 | |
| 269 | M | A | 0.0000 | |
| 270 | G | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | D | A | 0.0000 | |
| 276 | S | A | -1.7106 | |
| 277 | Q | A | -1.6425 | |
| 278 | G | A | -1.1800 | |
| 279 | N | A | -1.2856 | |
| 280 | V | A | -0.5002 | |
| 281 | G | A | -0.4510 | |
| 282 | F | A | 0.1188 | |
| 283 | A | A | -0.7140 | |
| 284 | K | A | -1.3775 | |
| 285 | N | A | -1.6646 | |
| 286 | T | A | -1.1411 | |
| 287 | K | A | -1.5391 | |
| 288 | H | A | -0.7297 | |
| 289 | M | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | Y | A | 0.0394 | |
| 292 | A | A | 0.0000 | |
| 293 | Y | A | -0.6785 | |
| 294 | M | A | 0.0000 | |
| 295 | K | A | -1.9029 | |
| 296 | E | A | -2.1932 | |
| 297 | G | A | -1.1970 | |
| 298 | M | A | -0.6303 | |
| 299 | E | A | -1.6979 | |
| 300 | E | A | -2.5532 | |
| 301 | P | A | 0.0000 | |
| 302 | E | A | -2.2591 | |
| 303 | A | A | -1.2577 | |
| 304 | G | A | -0.2322 | |
| 305 | V | A | -0.0500 |
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